data_1q1o_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 1q1o _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 761' ' ' SER . . . . . 0.461 ' HG ' HD23 ' A' ' 784' ' ' LEU . 19.4 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . 0.415 HG13 ' C ' ' A' ' 761' ' ' SER . 3.6 mt -134.88 129.85 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.49 109.94 8.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.669 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . 0.512 ' HB2' HG22 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -104.47 128.56 52.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -179.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . 0.429 ' HB3' ' CG2' ' A' ' 780' ' ' ILE . 1.0 OUTLIER -110.03 130.01 55.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.543 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 0.7 OUTLIER -125.92 103.48 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.29 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 9.4 t -78.89 72.62 5.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 70.5 t80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.005 -179.835 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.727 0.299 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 12.9 mt -105.69 113.2 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.332 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -90.12 151.29 21.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.724 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 44.7 p -125.15 107.91 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.307 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.81 143.76 49.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . 0.461 HD23 ' HG ' ' A' ' 761' ' ' SER . 6.5 mp -83.55 100.15 10.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.329 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.512 HG22 ' HB2' ' A' ' 764' ' ' PHE . 11.9 t -79.58 118.86 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.56 162.75 28.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.079 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -88.68 -10.21 49.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.723 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 24.0 m -95.3 16.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -96.13 -176.11 3.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.072 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -136.66 -176.55 4.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.325 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.29 -42.51 96.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.826 0.346 . . . . 0.0 110.632 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . 0.502 ' O ' HG22 ' A' ' 795' ' ' ILE . 3.2 p-10 -69.75 -43.72 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.41 -25.68 67.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.742 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.21 -53.51 9.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.827 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 792' ' ' ASP . 3.6 tp -63.01 -24.49 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.199 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 16.0 ttm -72.89 -41.61 64.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.751 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.5 90.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.1 mt -64.81 -40.78 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.172 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.959 -179.858 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.748 0.309 . . . . 0.0 111.334 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.466 ' HE2' ' HZ1' ' A' ' 817' ' ' LYS . 14.4 tttt -143.72 119.58 10.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.911 0.386 . . . . 0.0 111.069 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.556 HD13 HG23 ' A' ' 851' ' ' ILE . 18.8 pt -138.5 148.29 24.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.516 ' HG2' ' HA ' ' A' ' 827' ' ' VAL . 31.7 mttp -111.63 129.39 56.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -103.02 158.89 15.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -85.46 130.15 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.095 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.556 ' HA ' ' HE3' ' A' ' 840' ' ' MET . 17.2 p-10 -91.2 -160.41 0.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -26.49 55.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.185 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -79.97 -32.22 39.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.079 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 114.15 -1.56 24.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -87.44 153.82 21.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.5 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 51.7 m-85 -85.3 112.87 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.784 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.55 140.4 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.516 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 14.5 t -61.81 146.58 11.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.564 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.411 ' N ' HG11 ' A' ' 827' ' ' VAL . 0.5 OUTLIER -142.26 94.36 2.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.584 179.806 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -135.14 13.7 4.35 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.617 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.29 160.47 29.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -68.25 -45.26 73.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -29.76 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -32.26 73.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.635 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -75.26 -38.22 60.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.633 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -61.53 -44.82 96.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.683 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 37.7 t -66.96 -33.51 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.879 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.45 -39.74 80.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.674 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -68.93 -41.11 78.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.455 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.41 -20.01 64.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.579 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.556 ' HE3' ' HA ' ' A' ' 820' ' ' ASP . 2.9 tmm? -72.29 -53.09 13.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.551 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 849' ' ' LEU . 2.4 mt -72.05 -20.19 61.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.701 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.62 -53.2 30.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.215 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.74 -34.75 67.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -79.18 -2.47 41.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 57.14 22.25 7.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -171.72 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.103 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.78 -27.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.007 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -117.45 175.28 5.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.79 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.542 HD12 HD21 ' A' ' 841' ' ' LEU . 12.5 tp -158.63 141.58 14.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -100.81 121.19 41.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.556 HG23 HD13 ' A' ' 816' ' ' ILE . 3.4 mm -118.28 146.06 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 854' ' ' TYR . 5.7 ttt-85 -115.07 141.72 47.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.531 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -94.52 143.85 26.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.621 179.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.531 ' H ' HD13 ' A' ' 853' ' ' LEU . 64.2 m-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.186 -0.912 . . . . 0.0 111.194 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.752 0.311 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . 0.526 HG23 HD13 ' A' ' 841' ' ' LEU . 2.2 mp -135.78 129.26 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.08 135.8 42.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.624 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.42 104.23 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.545 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . 0.499 ' HB3' HG23 ' A' ' 780' ' ' ILE . 10.4 mtp180 -82.51 131.55 35.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.987 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . 0.603 HG12 HG22 ' A' ' 798' ' ' ILE . 2.1 mp -121.18 97.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 0.0 111.463 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 767' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 853' ' ' LEU . 13.5 t -77.69 120.8 23.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.853 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 33.5 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.913 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 120.75 0.31 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.529 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 3.1 mt -104.91 132.61 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 4.3 m-85 -102.32 159.55 15.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.996 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 34.6 p -123.19 107.59 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 14.0 tp -109.48 125.54 52.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.31 81.58 5.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.439 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 3.4 t -71.14 130.23 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -89.16 179.09 6.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.818 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -95.27 -21.18 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 4.2 m -85.54 28.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -111.76 178.79 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.077 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.72 -170.92 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.447 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -70.4 -49.69 46.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.74 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 796' ' ' MET . 38.9 t70 -66.31 -33.49 75.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -31.71 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.406 ' HG ' HD12 ' A' ' 798' ' ' ILE . 1.4 tt -74.69 -51.15 15.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.823 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 2.9 tp -61.15 -29.93 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' A' ' 792' ' ' ASP . 0.3 OUTLIER -74.36 -38.5 63.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.793 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.33 -52.55 57.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.603 HG22 HG12 ' A' ' 766' ' ' ILE . 16.1 mt -58.67 -35.46 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.394 179.515 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.879 0.371 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.9 93.19 0.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 17.7 pt -120.69 146.71 25.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.556 ' HG2' ' HA ' ' A' ' 827' ' ' VAL . 11.4 mttt -109.97 136.71 48.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.04 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.438 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 23.9 p90 -112.94 147.25 37.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -73.77 147.32 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.052 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -113.27 -164.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -70.53 -32.17 69.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.17 -5.59 47.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 86.89 -11.4 64.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.32 169.83 17.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.347 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -108.01 115.73 30.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.696 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.66 152.48 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.556 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 2.6 t -71.99 151.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.416 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.438 ' HB2' ' CD1' ' A' ' 818' ' ' TYR . 0.5 OUTLIER -141.4 98.83 3.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.726 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -140.71 33.63 2.03 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.3 149.59 27.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -58.47 -33.14 69.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . 0.424 ' O ' HG21 ' A' ' 836' ' ' VAL . 1.8 tp10 -66.55 -36.59 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -49.14 78.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.729 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -62.18 -29.74 70.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.404 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -67.39 -48.82 66.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.598 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 832' ' ' GLU . 21.1 t -66.83 -30.23 48.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.749 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.42 97.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.601 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -65.81 -45.24 83.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.486 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.69 -27.12 69.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.621 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 48.2 ttp -65.0 -55.23 20.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.491 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.526 HD13 HG23 ' A' ' 762' ' ' ILE . 5.7 mt -68.05 -13.8 62.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.619 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.58 -50.2 11.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -83.89 -1.47 54.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.927 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 840' ' ' MET . 1.7 m-80 -112.72 -0.49 15.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.7 m120 57.09 20.63 5.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.506 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 2.3 mm-40 -66.76 179.77 1.02 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.69 -28.04 0.35 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -129.37 168.22 16.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.833 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . . . . . . . . . 12.3 tp -153.77 125.25 7.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -78.09 136.62 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 852' ' ' ARG . 22.9 mm -123.27 145.88 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.454 ' N ' HG22 ' A' ' 851' ' ' ILE . 0.0 OUTLIER -110.23 135.71 50.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.698 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.48 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -90.96 147.46 23.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.48 ' H ' HD13 ' A' ' 853' ' ' LEU . 87.3 m-85 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.063 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 761' ' ' SER . . . . . 0.421 ' C ' HG13 ' A' ' 762' ' ' ILE . 4.5 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.047 0.451 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . 0.421 HG13 ' C ' ' A' ' 761' ' ' SER . 18.4 mt -142.11 131.71 23.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.018 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 763' ' ' LEU . 0.2 OUTLIER -76.12 94.76 3.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 179.588 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.65 95.59 10.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.316 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 33.7 mtt180 -73.49 134.58 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.369 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . . . . . . . . . 1.5 mt -125.55 98.62 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.791 0.329 . . . . 0.0 111.419 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 2.1 t -87.38 82.7 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.895 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.672 0.273 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 12.7 mt -94.35 124.52 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 28.5 m-85 -96.23 177.76 5.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.757 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 48.0 p -138.71 90.98 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.038 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 50.9 tp -99.12 114.55 27.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.029 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.46 85.68 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.737 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 3.7 t -77.17 146.89 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.143 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.11 170.6 9.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -91.74 -22.18 20.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 29.8 m -90.89 25.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -101.35 -178.64 3.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.181 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -130.14 -164.59 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.55 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -77.56 -49.95 13.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.776 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -62.62 -37.36 85.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -68.45 -27.25 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 2.4 tt -71.23 -49.79 39.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.799 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -21.35 28.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.35 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 7.8 tpp -73.2 -48.64 33.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.148 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.08 95.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 18.9 mt -59.86 -46.97 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.913 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.84 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.761 0.315 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.66 143.96 46.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.38 . . . . 0.0 111.197 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 2.4 pt -146.58 149.36 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.789 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.475 ' HD2' ' HH ' ' A' ' 854' ' ' TYR . 15.9 mttp -109.16 125.54 52.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.993 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.543 ' HA ' HD13 ' A' ' 851' ' ' ILE . 27.6 p90 -97.76 138.52 35.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -72.22 126.51 29.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.606 ' HA ' ' HE1' ' A' ' 840' ' ' MET . 0.4 OUTLIER -79.59 -177.03 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.8 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -71.89 -5.1 32.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.93 11.61 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 69.83 16.84 72.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.581 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.24 116.01 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.756 0.313 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.416 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 53.0 m-85 -64.56 125.02 23.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.983 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.22 153.97 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.422 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 3.4 t -64.78 151.51 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.213 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.407 ' HB2' ' CD1' ' A' ' 818' ' ' TYR . 0.6 OUTLIER -145.25 94.84 2.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.71 179.751 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -140.32 41.79 1.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 3.6 t -157.3 160.55 38.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -38.12 76.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.801 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -34.06 77.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.711 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.83 -45.42 92.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.7 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -62.42 -38.33 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.508 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -60.11 -45.86 91.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.786 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 13.9 t -63.31 -31.9 54.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.739 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.69 92.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.656 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -65.45 -41.88 92.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.48 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.421 ' HA ' ' HB1' ' A' ' 842' ' ' ALA . 4.7 mm-40 -68.79 -28.69 67.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.575 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.606 ' HE1' ' HA ' ' A' ' 820' ' ' ASP . 1.6 ttm -63.29 -46.97 84.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.604 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.498 ' HB3' ' O ' ' A' ' 846' ' ' GLU . 2.2 mt -78.47 -14.37 59.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.722 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . 0.421 ' HB1' ' HA ' ' A' ' 839' ' ' GLU . . . -79.26 -32.87 43.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.343 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -102.02 6.39 41.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.7 m-80 -127.78 -1.34 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.11 14.92 3.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 841' ' ' LEU . 1.5 mt-10 -66.74 122.22 17.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.651 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.65 15.05 30.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -155.75 169.63 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.544 HD13 ' HE3' ' A' ' 840' ' ' MET . 11.7 tp -156.96 122.63 4.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -83.87 121.63 27.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.543 HD13 ' HA ' ' A' ' 818' ' ' TYR . 10.1 mm -114.41 142.23 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.143 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -108.84 139.67 43.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.675 HD11 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -88.08 155.53 19.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.966 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.675 ' H ' HD11 ' A' ' 853' ' ' LEU . 95.8 m-85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 761' ' ' SER . . . . . 0.463 ' HG ' HD22 ' A' ' 784' ' ' LEU . 1.4 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.801 0.334 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.2 mp -124.7 125.86 70.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.72 102.22 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.779 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . 0.579 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -93.21 108.68 20.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.141 -179.655 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . 0.444 ' HB3' HG23 ' A' ' 780' ' ' ILE . 36.9 mtp85 -83.94 128.99 34.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.223 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . 0.486 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 3.2 mt -119.84 95.65 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.832 0.348 . . . . 0.0 111.374 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 767' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 853' ' ' LEU . 2.0 p -67.15 134.13 51.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.744 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.785 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.76 0.314 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.486 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 10.5 mt -106.77 114.92 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -83.06 156.33 23.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 46.9 p -125.19 113.8 18.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.58 134.51 54.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.032 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . 0.463 HD22 ' HG ' ' A' ' 761' ' ' SER . 5.0 mp -83.5 81.85 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' A' ' 764' ' ' PHE . 14.9 t -66.27 140.76 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.275 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.52 146.16 26.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.994 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -69.83 -18.6 63.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.71 -2.4 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -82.84 -171.89 3.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.974 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.12 -168.09 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.79 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -70.94 -52.95 16.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . 0.612 ' HB2' ' HE1' ' A' ' 796' ' ' MET . 2.3 p30 -65.14 -39.43 93.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.177 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -67.22 -34.21 76.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.066 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -53.3 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 796' ' ' MET . 0.7 OUTLIER -59.73 -26.08 34.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.273 -179.75 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.612 ' HE1' ' HB2' ' A' ' 792' ' ' ASP . 2.3 mtt -71.95 -40.2 68.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.763 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.44 77.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.05 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.465 HD11 ' HA ' ' A' ' 795' ' ' ILE . 22.7 mt -66.03 -49.36 77.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.943 0.402 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.53 ' HG2' ' HH ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -165.08 127.96 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.85 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.404 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 6.3 pt -125.71 143.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 851' ' ' ILE . 6.2 mttt -104.12 116.69 32.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.484 ' HB2' HD21 ' A' ' 849' ' ' LEU . 30.9 p90 -100.61 150.4 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 0.487 ' HB3' HD11 ' A' ' 849' ' ' LEU . 1.4 tt0 -71.59 144.92 49.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 824' ' ' ASP . 0.7 OUTLIER -96.78 -166.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.968 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.44 -46.24 70.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -8.13 58.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.017 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 96.12 30.76 7.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 820' ' ' ASP . 0.3 OUTLIER -105.79 124.14 49.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -67.67 124.62 23.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.763 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 817' ' ' LYS . 0.0 OUTLIER -124.07 153.96 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.629 HG13 ' HH ' ' A' ' 854' ' ' TYR . 6.5 t -71.53 150.34 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.34 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -143.68 98.06 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.714 179.791 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -137.68 29.2 2.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.556 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 41.8 m -141.52 160.18 40.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.926 0.393 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -40.33 89.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -66.02 -32.48 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.025 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.526 ' HB3' HD11 ' A' ' 828' ' ' LEU . 0.3 OUTLIER -60.74 -51.37 69.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -61.75 -32.81 73.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -63.05 -54.21 41.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.601 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 26.8 t -60.8 -27.88 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.775 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.8 95.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.771 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -63.35 -37.86 88.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.397 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.402 ' HA ' ' HB2' ' A' ' 842' ' ' ALA . 60.1 mt-10 -68.2 -33.67 74.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.482 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 3.0 ttm -60.25 -53.12 61.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.798 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.6 ' HA ' ' HB2' ' A' ' 846' ' ' GLU . 3.5 mt -74.68 -12.57 60.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . 0.402 ' HB2' ' HA ' ' A' ' 839' ' ' GLU . . . -74.39 -56.36 4.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.529 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -77.0 -19.69 56.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.301 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.9 m-80 -92.97 2.0 57.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.076 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.24 16.56 4.04 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.6 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 1.5 mm-40 -74.04 130.13 39.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.24 10.65 21.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.981 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -148.63 170.65 17.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 819' ' ' GLN . 14.7 tp -162.67 141.54 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -96.15 129.7 43.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 5.7 mm -121.32 148.24 24.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -115.01 139.77 49.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 767' ' ' SER . 0.2 OUTLIER -89.85 19.98 4.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.037 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.629 ' HH ' HG13 ' A' ' 827' ' ' VAL . 3.1 m-85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.996 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.922 0.392 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.3 mt -135.62 132.23 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 130.09 38.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.769 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.39 105.96 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.023 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -81.08 133.4 35.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . 0.481 HD11 ' HB2' ' A' ' 781' ' ' PHE . 3.4 mt -126.44 104.5 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.258 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 9.5 t -76.12 96.04 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 90.9 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.747 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.863 0.364 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.8 mt -83.11 110.95 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.247 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.481 ' HB2' HD11 ' A' ' 766' ' ' ILE . 26.5 m-85 -84.68 148.76 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 76.7 p -117.91 119.76 35.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.981 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . 0.453 HD13 ' HB3' ' A' ' 797' ' ' ALA . 2.5 mt -122.05 124.16 43.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.75 73.93 7.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.346 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 2.1 t -64.25 108.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.379 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.0 177.56 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -91.9 -23.29 19.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 20.7 m -80.77 11.69 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -91.99 -173.72 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.971 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -142.28 -167.83 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.419 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -73.14 -53.28 11.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.766 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -61.26 -33.7 73.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.051 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -28.71 63.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.12 -51.95 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 4.0 tp -63.84 -25.21 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.264 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 3.0 ttm -73.25 -37.64 66.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . 0.453 ' HB3' HD13 ' A' ' 783' ' ' LEU . . . -64.27 -49.16 72.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.297 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 7.9 mt -59.29 -45.72 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.366 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.822 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.951 0.405 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -156.44 116.98 3.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.476 HD12 HG21 ' A' ' 851' ' ' ILE . 21.5 pt -131.92 159.21 43.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.571 ' HE2' ' HH ' ' A' ' 854' ' ' TYR . 5.1 mttm -117.92 126.2 51.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.607 ' HB2' HD21 ' A' ' 849' ' ' LEU . 24.4 p90 -100.28 148.61 24.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -78.09 142.72 37.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.429 ' HA ' ' HE2' ' A' ' 840' ' ' MET . 1.5 p30 -102.4 -170.81 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -68.87 -21.08 64.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.42 -30.21 37.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 109.73 6.69 28.4 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.549 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -103.56 152.58 21.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -85.09 120.84 27.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.75 152.33 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.831 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 3.9 t -70.47 149.79 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.365 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.61 87.12 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.691 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -131.13 34.71 2.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.632 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.91 153.79 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.729 0.299 . . . . 0.0 110.761 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.68 -34.43 77.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.88 -32.85 74.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -51.25 70.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.71 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.441 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 36.4 t-105 -62.18 -30.83 71.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.441 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -65.23 -53.97 36.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.634 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 23.0 t -60.78 -30.4 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.81 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.73 99.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.837 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 6.8 mtmt -64.24 -39.08 93.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.506 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.15 -23.84 61.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.578 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.434 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.1 ttm -67.44 -44.57 78.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.637 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 1.6 mt -81.52 -16.06 52.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.729 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.85 -40.69 65.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.47 19.34 13.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.6 OUTLIER -136.7 -0.42 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.85 25.45 10.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.78 130.69 35.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.06 5.68 22.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.087 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -151.61 170.51 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.607 HD21 ' HB2' ' A' ' 818' ' ' TYR . 12.0 tp -156.98 135.56 11.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -85.12 117.85 24.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.476 HG21 HD12 ' A' ' 816' ' ' ILE . 3.6 mm -118.15 144.14 27.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.246 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -116.99 136.78 52.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.502 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.456 ' HG ' ' H ' ' A' ' 854' ' ' TYR . 17.6 tp -86.46 165.83 15.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.766 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.571 ' HH ' ' HE2' ' A' ' 817' ' ' LYS . 94.3 m-85 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.19 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 33.2 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.772 0.32 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 15.3 mt -128.82 136.76 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . 0.612 HD13 ' HB ' ' A' ' 782' ' ' THR . 7.9 tp -94.58 80.68 3.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.592 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . 0.479 ' HB2' HG21 ' A' ' 785' ' ' VAL . 0.4 OUTLIER -69.02 116.21 9.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.218 -179.626 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . 0.404 ' HB3' ' CG2' ' A' ' 780' ' ' ILE . 11.5 mtp85 -94.13 128.49 40.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.402 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 3.3 mt -117.13 99.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.843 0.354 . . . . 0.0 111.431 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 6.2 t -85.31 113.12 21.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.725 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 33.0 t80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.556 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 3.7 mt -104.91 114.43 44.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.027 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.487 ' HB2' HD11 ' A' ' 766' ' ' ILE . 8.1 m-85 -83.46 172.57 12.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 782' ' ' THR . . . . . 0.612 ' HB ' HD13 ' A' ' 763' ' ' LEU . 67.2 p -135.13 101.46 4.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.888 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . 0.522 HD22 ' HB2' ' A' ' 797' ' ' ALA . 0.2 OUTLIER -97.99 131.32 44.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.126 -179.686 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.2 tp -84.03 68.65 10.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.538 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 764' ' ' PHE . 2.3 t -66.46 123.34 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.75 171.29 10.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . 0.626 ' HG2' ' HD2' ' A' ' 838' ' ' LYS . 60.3 mttt -87.04 -15.5 38.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 788' ' ' VAL . 17.3 m -90.4 24.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -106.69 -173.7 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -134.7 178.3 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.748 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -64.9 -48.03 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -66.41 -45.36 80.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -25.65 68.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.683 HD21 HD12 ' A' ' 798' ' ' ILE . 1.6 tt -71.34 -53.45 14.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.476 HG21 ' N ' ' A' ' 796' ' ' MET . 0.6 OUTLIER -62.18 -28.45 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.36 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.476 ' N ' HG21 ' A' ' 795' ' ' ILE . 1.4 mtm -68.92 -41.37 78.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . 0.522 ' HB2' HD22 ' A' ' 783' ' ' LEU . . . -64.1 -39.26 93.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.683 HD12 HD21 ' A' ' 794' ' ' LEU . 11.8 mt -61.53 -39.57 83.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.687 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -136.54 141.34 43.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.77 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 1.4 pt -139.61 142.13 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.241 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.522 ' O ' ' HA ' ' A' ' 851' ' ' ILE . 52.1 mttt -99.88 123.34 44.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.522 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.509 ' HA ' HD12 ' A' ' 851' ' ' ILE . 35.5 p90 -107.37 147.15 30.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.944 0.402 . . . . 0.0 111.123 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -71.39 126.86 30.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -89.43 177.46 6.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -30.27 70.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.48 -12.54 60.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 89.32 24.59 30.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.425 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.18 139.02 54.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 111.013 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -68.73 127.25 32.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.588 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.95 149.66 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 12.2 t -73.84 144.06 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.303 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' A' ' 833' ' ' ASP . 0.5 OUTLIER -137.27 101.47 4.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.722 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -137.89 34.65 2.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.538 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.8 161.17 42.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -43.66 85.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.709 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . 0.446 ' O ' HG21 ' A' ' 836' ' ' VAL . 1.0 OUTLIER -62.69 -35.2 78.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.74 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.465 ' HB3' HD13 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -59.53 -35.37 74.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.449 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -72.93 -35.75 67.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.437 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -63.39 -41.61 98.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.545 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 832' ' ' GLU . 43.5 t -65.82 -36.3 77.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.727 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.26 87.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.802 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.626 ' HD2' ' HG2' ' A' ' 787' ' ' LYS . 26.3 mtmt -67.56 -42.43 82.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.457 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.72 -18.56 63.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.471 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.8 ttm -74.55 -45.12 47.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.582 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 6.5 mt -81.36 -15.33 55.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.561 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.04 -55.61 11.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -73.32 -36.73 66.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -73.98 -4.5 35.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 56.05 26.26 9.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.722 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.53 178.84 2.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.039 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -155.11 12.39 0.36 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -160.72 179.05 8.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.426 HD22 ' HB2' ' A' ' 818' ' ' TYR . 9.9 tp -166.05 155.29 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -107.49 135.04 49.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.717 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.522 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 22.2 mm -122.91 138.61 52.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.386 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 852' ' ' ARG . 0.9 OUTLIER -112.94 138.75 49.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.509 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.659 HD12 ' H ' ' A' ' 854' ' ' TYR . 0.3 OUTLIER -78.6 158.49 28.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.038 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.659 ' H ' HD12 ' A' ' 853' ' ' LEU . 2.5 m-85 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.888 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.824 0.345 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.6 132.49 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . 0.431 HD12 ' HB ' ' A' ' 782' ' ' THR . 0.7 OUTLIER -79.16 112.41 16.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.886 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' A' ' 782' ' ' THR . 0.1 OUTLIER -96.67 127.67 42.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.979 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -102.13 125.53 48.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.593 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 781' ' ' PHE . 1.0 OUTLIER -122.02 98.32 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.801 0.334 . . . . 0.0 111.317 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.87 91.78 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 78.0 t80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.883 0.373 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.519 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 13.4 mt -82.02 127.23 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.339 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.706 ' HB2' HD11 ' A' ' 766' ' ' ILE . 9.1 m-85 -103.98 142.88 33.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.618 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 782' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 764' ' ' PHE . 62.1 p -119.77 110.18 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . 0.407 HD21 HD13 ' A' ' 766' ' ' ILE . 0.8 OUTLIER -119.95 154.76 33.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.013 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 1.9 mp -85.56 102.06 13.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.023 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.433 HG22 ' HB2' ' A' ' 764' ' ' PHE . 6.4 t -88.6 117.66 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -68.97 165.63 19.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -92.82 -21.31 19.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.793 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 28.0 m -83.3 2.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 21.2 m0 -78.25 -165.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.121 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -146.03 -164.59 2.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.435 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -76.06 -48.08 22.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 110.646 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 795' ' ' ILE . 9.4 t70 -66.13 -41.21 90.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -28.02 67.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.695 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 2.4 tt -70.62 -53.66 15.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.684 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 792' ' ' ASP . 0.5 OUTLIER -61.97 -25.46 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.01 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -37.55 63.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.37 97.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.418 HG21 HG12 ' A' ' 766' ' ' ILE . 5.3 mt -68.51 -34.27 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.755 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.745 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.929 0.395 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.426 ' HZ2' HG13 ' A' ' 827' ' ' VAL . 16.9 tttp -163.13 123.54 2.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.728 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.475 HD13 HD21 ' A' ' 828' ' ' LEU . 4.4 pt -138.63 137.13 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.454 ' HB2' ' HE1' ' A' ' 854' ' ' TYR . 0.6 OUTLIER -101.59 119.83 39.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.005 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.605 ' HB2' HD21 ' A' ' 849' ' ' LEU . 22.2 p90 -103.68 146.94 27.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.021 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -77.59 139.79 39.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.568 ' HA ' ' HE1' ' A' ' 840' ' ' MET . 10.6 p-10 -102.29 -168.66 1.56 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.02 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -19.71 63.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . 0.449 ' HB3' ' OD2' ' A' ' 824' ' ' ASP . 0.1 OUTLIER -88.57 -3.86 58.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.008 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 83.09 -7.34 67.36 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.569 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . 0.449 ' OD2' ' HB3' ' A' ' 822' ' ' ASP . 0.2 OUTLIER -86.75 136.9 32.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -73.53 125.17 27.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.86 157.53 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.007 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.426 HG13 ' HZ2' ' A' ' 815' ' ' LYS . 2.7 t -76.79 155.28 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' A' ' 833' ' ' ASP . 7.5 tp -141.6 107.72 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -157.13 43.18 0.52 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.635 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 1.1 m -160.28 154.03 22.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.764 0.316 . . . . 0.0 110.971 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -35.43 80.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 836' ' ' VAL . 0.0 OUTLIER -70.49 -38.29 74.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.795 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.53 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -57.24 -39.82 76.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.837 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -69.69 -37.38 76.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -60.53 -42.92 97.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.676 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 832' ' ' GLU . 21.8 t -68.81 -30.37 46.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.796 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -62.41 -42.73 99.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.783 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -64.53 -43.6 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.547 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.444 ' OE1' ' HA ' ' A' ' 836' ' ' VAL . 33.7 mt-10 -64.06 -27.91 69.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.595 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.568 ' HE1' ' HA ' ' A' ' 820' ' ' ASP . 1.3 ttm -66.78 -42.74 85.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.683 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.511 ' HA ' ' HB2' ' A' ' 846' ' ' GLU . 2.9 mt -83.43 -16.62 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.725 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.96 -36.39 41.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.227 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -93.31 -1.76 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -123.84 0.05 8.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 6.8 m120 56.87 22.45 7.09 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.511 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 3.2 mt-10 -68.39 127.01 31.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.016 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -110.89 15.18 21.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 763' ' ' LEU . 21.5 p90 -154.79 156.82 36.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.605 HD21 ' HB2' ' A' ' 818' ' ' TYR . 9.0 tp -148.43 124.8 10.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -83.24 117.03 22.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . . . . . . . . . 2.6 mm -117.02 141.85 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.234 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.65 134.47 54.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.395 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.418 ' HG ' ' H ' ' A' ' 854' ' ' TYR . 16.6 tp -84.83 163.84 18.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 111.069 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.454 ' HE1' ' HB2' ' A' ' 817' ' ' LYS . 89.7 m-85 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.151 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.756 0.312 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 7.2 mt -113.95 123.63 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 2.4 tt -71.03 122.32 19.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.767 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . 0.443 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -114.0 109.36 18.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . 0.534 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 64.2 mtt180 -86.25 129.86 34.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.638 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . 0.631 HD12 HG22 ' A' ' 798' ' ' ILE . 2.0 mp -125.02 106.07 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.307 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 10.0 p -71.45 98.52 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . 0.609 ' HB3' ' HB2' ' A' ' 779' ' ' GLU . 88.7 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . 0.609 ' HB2' ' HB3' ' A' ' 768' ' ' TYR . 3.7 mm-40 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.779 0.324 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 30.2 mt -75.92 115.75 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.021 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.534 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 30.7 m-85 -88.58 153.05 21.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.043 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 33.5 p -124.29 83.46 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 6.5 tp -97.78 116.0 29.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.7 mp -74.36 84.01 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.76 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.443 HG23 ' HB2' ' A' ' 764' ' ' PHE . 2.8 t -72.11 115.48 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.004 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.66 166.15 17.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -83.35 -26.63 30.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 18.2 m -74.97 3.7 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -87.88 -170.89 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.107 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -138.83 -168.1 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.511 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -74.08 -56.25 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.818 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -59.44 -38.68 81.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.52 -30.66 71.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.783 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.8 -57.55 5.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.793 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 796' ' ' MET . 0.4 OUTLIER -59.88 -20.55 19.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.415 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.433 ' N ' HG23 ' A' ' 795' ' ' ILE . 4.6 ttm -72.48 -48.69 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.101 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.85 84.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.41 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.631 HG22 HD12 ' A' ' 766' ' ' ILE . 11.1 mt -57.96 -48.52 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.289 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.096 0 CA-C-O 120.632 0.254 . . . . 0.0 111.492 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.32 130.7 0.37 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.97 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.459 ' HB ' HG22 ' A' ' 851' ' ' ILE . 6.8 pt -146.49 144.06 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.975 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.548 ' HG2' ' HA ' ' A' ' 827' ' ' VAL . 10.0 mttt -108.19 122.51 47.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.429 ' CE1' HD11 ' A' ' 828' ' ' LEU . 30.9 p90 -100.21 143.3 30.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.058 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -68.52 123.28 20.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.473 ' HB2' HG21 ' A' ' 826' ' ' VAL . 4.7 t0 -85.58 -169.93 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.967 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.76 -33.09 66.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -78.31 2.72 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.2 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 79.41 1.3 85.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.44 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -95.42 128.68 42.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.8 0.333 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.499 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 82.8 m-85 -67.6 126.27 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.619 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.473 HG21 ' HB2' ' A' ' 820' ' ' ASP . 0.0 OUTLIER -114.36 149.64 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -179.726 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.548 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 8.9 t -70.91 146.98 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.412 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' ' 833' ' ' ASP . 0.7 OUTLIER -134.28 95.25 3.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.685 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.76 31.23 2.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.546 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.97 156.92 42.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -43.6 98.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.41 -34.97 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.509 ' HB3' HD13 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -60.8 -37.99 83.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.427 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -71.37 -32.55 68.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.368 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -63.59 -44.16 94.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.779 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 46.2 t -69.61 -30.66 45.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -62.71 -44.9 95.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.8 -48.07 72.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.646 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.417 ' HA ' ' HB1' ' A' ' 842' ' ' ALA . 0.4 OUTLIER -62.61 -26.41 68.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.544 179.822 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.7 ttm -63.07 -59.93 4.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.752 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 4.5 mt -67.0 -12.79 60.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.59 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' A' ' 839' ' ' GLU . . . -72.41 -46.31 55.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -82.58 -13.95 55.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -103.61 -4.32 24.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.991 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 11.1 m120 54.8 32.02 16.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.616 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.54 176.05 5.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.076 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.06 2.54 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.173 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -153.29 169.24 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . . . . . . . . . 10.9 tp -154.92 136.02 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -90.43 113.95 25.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.459 HG22 ' HB ' ' A' ' 816' ' ' ILE . 3.1 mm -114.26 134.43 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.174 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -106.13 137.91 43.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.526 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 854' ' ' TYR . 20.5 tp -86.34 164.47 17.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.815 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.465 ' N ' ' HG ' ' A' ' 853' ' ' LEU . 88.7 m-85 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.005 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.811 0.339 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.92 143.33 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.19 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.98 104.51 16.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.744 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . 0.484 ' HB2' HG21 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -95.33 117.41 30.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -93.74 126.13 38.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.544 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . 0.616 HD11 HG21 ' A' ' 798' ' ' ILE . 6.0 mt -120.02 97.66 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.331 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.15 104.14 7.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.687 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.878 0.371 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.486 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 12.8 mt -79.62 108.26 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.413 ' HB2' HD13 ' A' ' 766' ' ' ILE . 40.8 m-85 -82.85 134.61 35.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 78.3 p -109.15 85.96 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.059 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 6.5 tp -98.05 122.92 41.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.09 83.13 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.753 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.484 HG21 ' HB2' ' A' ' 764' ' ' PHE . 12.8 t -68.61 117.27 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -67.99 152.29 45.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.759 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.93 -13.92 59.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 26.6 m -94.11 18.58 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -98.83 177.71 5.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.89 -179.4 4.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.686 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -61.38 -57.23 13.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -41.69 93.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.039 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.72 -23.02 66.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.13 -51.08 12.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 796' ' ' MET . 0.5 OUTLIER -66.37 -27.68 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.217 -179.747 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.429 ' N ' HG22 ' A' ' 795' ' ' ILE . 3.9 mtm -72.1 -39.62 68.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.07 97.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.616 HG21 HD11 ' A' ' 766' ' ' ILE . 27.2 mt -59.96 -53.02 54.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.214 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.769 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.25 147.24 17.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.99 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.45 ' HB ' HG23 ' A' ' 851' ' ' ILE . 5.6 pt -141.62 141.27 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -100.62 123.86 45.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.148 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.607 ' HB2' HD23 ' A' ' 849' ' ' LEU . 34.8 p90 -102.54 148.01 26.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -73.8 128.01 34.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.759 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.37 -168.63 1.18 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.747 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -0.28 49.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -117.96 9.2 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 78.24 10.77 85.96 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.461 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.52 117.61 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 110.966 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -61.73 132.93 54.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.03 152.38 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 7.0 t -70.63 145.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.271 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.457 ' HB2' ' HD1' ' A' ' 818' ' ' TYR . 4.0 tp -132.49 96.09 3.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.749 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -141.12 19.05 2.69 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.557 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 830' ' ' SER . . . . . 0.404 ' HB2' ' OD1' ' A' ' 833' ' ' ASP . 14.7 m -134.63 153.44 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.336 . . . . 0.0 110.803 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.58 -42.63 91.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -30.91 71.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.404 ' OD1' ' HB2' ' A' ' 830' ' ' SER . 0.9 OUTLIER -63.43 -45.02 92.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.819 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.416 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 34.2 t-105 -65.0 -35.74 82.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.708 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.493 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 2.2 m-80 -61.81 -52.86 62.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.41 -34.78 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.0 83.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 3.4 mtmt -65.03 -45.49 85.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.706 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.16 -23.55 66.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.724 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.455 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 3.0 ttm -69.08 -55.07 11.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.712 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.44 -9.34 58.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.051 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.36 -49.62 13.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.281 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.65 1.49 49.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.13 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.5 OUTLIER -117.89 -7.61 10.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.086 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 7.3 m120 54.96 29.29 11.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.739 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -52.24 65.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.122 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.34 17.05 7.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.367 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -165.46 161.12 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.683 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 818' ' ' TYR . 9.7 tp -161.24 140.44 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.39 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.12 120.43 31.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.708 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.45 HG23 ' HB ' ' A' ' 816' ' ' ILE . 4.2 mm -116.97 142.69 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.34 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -108.79 135.22 50.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.757 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 853' ' ' LEU . 0.2 OUTLIER -89.26 140.65 29.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.074 -179.82 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . 0.749 HG21 HD13 ' A' ' 841' ' ' LEU . 2.0 mp -122.11 131.92 72.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.77 106.85 8.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.808 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.93 126.6 37.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 3.7 mtt85 -102.37 133.35 47.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.627 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . 0.502 HD13 ' HB2' ' A' ' 781' ' ' PHE . 4.2 mt -124.17 97.31 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 111.239 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 32.6 p -78.22 79.9 4.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 82.2 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.709 179.841 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.743 0.306 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.483 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.2 mt -103.97 122.04 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.01 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.531 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 19.6 m-85 -85.57 159.33 19.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 66.6 p -138.66 94.5 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.81 151.45 37.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.0 mp -86.76 123.94 32.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.652 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 3.1 t -108.13 118.52 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -71.6 163.73 27.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -85.83 -23.74 27.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 16.4 m -79.21 7.64 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -82.85 -166.19 1.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.158 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -148.6 -171.74 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.536 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -70.5 -47.34 60.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.816 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . 0.434 ' O ' HG21 ' A' ' 795' ' ' ILE . 3.7 t0 -67.65 -41.06 84.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -65.71 -30.76 71.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.939 0.4 . . . . 0.0 110.615 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -55.64 10.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.836 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.474 ' HA ' HD11 ' A' ' 798' ' ' ILE . 1.5 tp -60.21 -23.21 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -51.75 49.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.656 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -59.03 -36.17 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.688 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.474 HD11 ' HA ' ' A' ' 795' ' ' ILE . 25.1 mt -66.44 -38.84 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.915 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.793 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.741 0.305 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.35 108.8 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 5.9 pt -128.53 153.05 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.019 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.462 ' HB2' ' HE1' ' A' ' 854' ' ' TYR . 13.2 mttp -111.6 119.8 39.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.21 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.625 ' HA ' HD12 ' A' ' 851' ' ' ILE . 31.8 p90 -97.02 144.7 26.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -76.75 109.19 10.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.04 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.616 ' HA ' ' HE3' ' A' ' 840' ' ' MET . 5.8 t70 -69.12 171.57 8.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.765 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . 0.476 ' HB3' ' HG2' ' A' ' 840' ' ' MET . 2.0 pt-20 -67.43 -12.65 60.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.978 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -85.15 0.92 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 73.96 28.69 64.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.348 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.34 134.45 41.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -69.18 126.34 29.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.558 HG22 ' HB2' ' A' ' 820' ' ' ASP . 0.0 OUTLIER -119.85 152.82 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 2.7 t -72.28 142.97 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 818' ' ' TYR . 0.4 OUTLIER -137.72 95.04 2.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -135.57 17.06 4.01 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.479 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 14.2 m -130.1 166.94 19.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.763 0.316 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -70.23 -47.08 62.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.39 -28.18 69.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.747 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -38.88 92.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.614 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -72.4 -34.29 67.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.608 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -62.83 -48.44 79.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.652 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.11 -33.36 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.857 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.63 -42.59 88.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.783 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -63.97 -42.69 97.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.558 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.06 -29.66 70.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.492 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.616 ' HE3' ' HA ' ' A' ' 820' ' ' ASP . 2.6 tmm? -64.09 -43.78 94.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.422 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.749 HD13 HG21 ' A' ' 762' ' ' ILE . 6.4 mt -74.47 -20.9 59.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.505 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -71.02 160.29 33.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.829 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 62.07 9.43 3.1 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.014 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -140.29 -3.13 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 56.47 26.97 11.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 23.9 mt-10 -67.81 98.95 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.633 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.27 29.01 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.038 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -159.79 160.61 34.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.53 HD12 ' HE2' ' A' ' 840' ' ' MET . 13.9 tp -157.88 146.6 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -104.15 118.41 36.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' A' ' 818' ' ' TYR . 3.2 mm -118.2 138.46 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.085 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . 0.404 ' HB3' ' CE1' ' A' ' 854' ' ' TYR . 0.1 OUTLIER -104.57 139.55 39.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.651 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.37 144.4 25.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.462 ' HE1' ' HB2' ' A' ' 817' ' ' LYS . 87.0 m-85 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.158 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.708 0.289 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . 0.524 HG21 HD13 ' A' ' 841' ' ' LEU . 10.6 mt -132.01 126.72 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.43 119.76 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.591 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . 0.559 ' HB2' HG21 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -107.44 110.46 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 765' ' ' ARG . 23.3 mtt-85 -90.87 125.23 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.554 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . 0.604 HD11 HG22 ' A' ' 798' ' ' ILE . 3.0 mt -120.96 95.06 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.268 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.89 96.06 2.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.704 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 29.8 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.85 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.76 0.314 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.448 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 30.4 mt -79.96 104.43 8.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -82.92 140.11 33.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.996 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 75.8 p -111.99 103.92 12.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.971 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.9 125.67 54.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.73 78.8 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.634 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.559 HG21 ' HB2' ' A' ' 764' ' ' PHE . 3.6 t -67.81 115.05 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.229 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.75 169.08 18.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -87.43 -12.49 45.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 16.9 m -87.65 -3.06 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 14.8 m0 -81.37 -177.96 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.055 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -131.16 -165.71 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.733 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -75.05 -56.89 4.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.014 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.7 -37.86 85.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.991 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -31.24 72.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 1.1 tt -71.01 -56.12 6.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.94 -29.39 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.363 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 14.5 ttm -76.97 -30.98 56.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.15 79.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.037 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.604 HG22 HD11 ' A' ' 766' ' ' ILE . 6.5 mt -72.21 -53.06 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.2 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.753 0.311 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -157.75 137.74 12.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 22.1 pt -141.59 148.53 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.422 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 11.8 mttt -114.04 131.29 56.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.009 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.545 ' HB2' HD22 ' A' ' 849' ' ' LEU . 35.5 p90 -107.36 152.19 24.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.093 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -72.7 122.82 22.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -82.85 -165.84 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.87 -37.61 73.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.32 -2.49 35.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 87.04 -4.19 86.49 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.44 136.57 33.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.748 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.422 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 59.5 m-85 -71.02 124.05 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.806 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.38 157.78 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.47 149.38 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.231 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . . . . . . . . . 3.8 tp -139.13 88.38 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.721 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -137.24 47.24 0.96 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.558 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 24.5 p -165.95 157.74 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -64.03 -41.5 97.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . 0.402 ' O ' HG21 ' A' ' 836' ' ' VAL . 1.8 tp10 -63.84 -34.88 78.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.69 -38.74 82.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.739 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.451 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 30.1 t-105 -70.42 -34.85 72.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.503 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.501 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 35.6 m-20 -62.55 -47.95 81.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.795 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 832' ' ' GLU . 19.6 t -65.07 -28.94 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.955 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -62.8 -50.83 69.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.986 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.501 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 2.0 mtmp? -63.4 -47.18 83.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.717 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -26.48 67.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.627 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 42.5 ttp -66.08 -49.07 68.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.6 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.524 HD13 HG21 ' A' ' 762' ' ' ILE . 3.9 mt -71.25 -14.47 62.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.554 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.69 -50.1 14.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.358 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -78.09 -10.14 59.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.31 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -107.69 2.18 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.064 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 56.61 22.67 6.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.464 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 10.1 mm-40 -67.71 -174.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.032 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.64 -29.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -130.67 -172.54 2.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' A' ' 818' ' ' TYR . 11.9 tp -164.1 148.78 10.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.794 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -98.21 128.11 44.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.953 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.473 HD12 HG21 ' A' ' 851' ' ' ILE . 4.1 mm -125.63 137.26 58.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.195 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.47 141.53 47.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.56 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.489 ' HG ' ' N ' ' A' ' 854' ' ' TYR . 19.9 tp -88.57 163.75 15.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.489 ' N ' ' HG ' ' A' ' 853' ' ' LEU . 89.9 m-85 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.096 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.918 0.39 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 12.7 mt -134.17 137.97 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.212 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.48 131.11 34.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.513 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . 0.479 ' HB2' HG21 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -118.95 96.94 5.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.315 -179.829 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 26.3 mtt180 -78.9 132.47 36.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.357 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 4.4 mt -119.64 106.55 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 111.434 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 767' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 779' ' ' GLU . 7.7 t -87.23 83.22 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.846 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 65.8 t80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.8 179.904 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 767' ' ' SER . 13.1 mt-10 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.731 0.301 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 19.8 mt -130.22 111.95 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 7.1 m-85 -88.38 167.98 13.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.793 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 71.4 p -134.01 104.88 6.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.058 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 13.6 tp -109.65 129.09 55.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.79 83.37 8.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.624 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 764' ' ' PHE . 2.6 t -74.86 127.3 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.203 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.12 167.28 19.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -86.79 -21.74 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 27.2 m -86.17 22.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.964 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -98.52 -170.84 2.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.204 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -132.72 -162.62 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.554 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -85.79 -48.4 8.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . 0.472 ' O ' HG22 ' A' ' 795' ' ' ILE . 7.7 p-10 -66.77 -35.33 79.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -69.87 -26.67 64.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.448 HD12 HG13 ' A' ' 785' ' ' VAL . 0.5 OUTLIER -72.76 -48.47 38.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.948 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 792' ' ' ASP . 0.6 OUTLIER -67.22 -24.13 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.207 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -47.99 56.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.05 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.12 96.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.248 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 35.3 mt -58.0 -45.12 88.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.688 179.889 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.649 0.262 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.81 140.91 33.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 111.278 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.415 HD11 HD22 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -131.58 143.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.85 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.53 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 8.2 mttt -93.17 107.78 19.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.159 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.549 ' HB2' HD21 ' A' ' 849' ' ' LEU . 30.6 p90 -97.17 136.61 37.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 0.41 ' HB3' HD11 ' A' ' 849' ' ' LEU . 34.6 tt0 -62.19 127.44 31.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.601 ' HA ' ' HE2' ' A' ' 840' ' ' MET . 1.8 t0 -84.43 -174.92 5.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.57 -23.46 63.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.988 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.48 -9.52 44.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 102.64 -25.1 28.7 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.68 124.24 23.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.446 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 88.8 m-85 -67.8 123.95 21.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.38 158.35 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.066 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 14.4 t -76.89 149.95 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.426 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.687 HD11 ' HB3' ' A' ' 833' ' ' ASP . 0.4 OUTLIER -137.76 113.9 10.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.726 179.803 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -152.94 33.7 0.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.11 162.99 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.32 -34.98 73.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.11 -34.76 71.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.687 ' HB3' HD11 ' A' ' 828' ' ' LEU . 1.5 m-20 -60.35 -42.72 96.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.651 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 33.4 t-105 -67.81 -35.85 79.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.565 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.9 -50.66 72.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.45 -29.41 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.04 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.7 99.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -63.55 -47.12 82.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.705 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.45 ' HA ' ' HB1' ' A' ' 842' ' ' ALA . 13.7 mm-40 -62.01 -31.47 71.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.78 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.601 ' HE2' ' HA ' ' A' ' 820' ' ' ASP . 1.8 ttm -60.79 -47.41 86.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.647 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 2.2 mt -79.53 -8.75 59.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.778 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . 0.45 ' HB1' ' HA ' ' A' ' 839' ' ' GLU . . . -77.75 -44.17 28.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.322 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -88.82 -20.34 24.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -93.52 -2.14 54.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.043 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.04 26.76 10.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -81.48 134.13 35.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 21.09 13.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.057 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -162.23 153.96 18.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.885 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.549 HD21 ' HB2' ' A' ' 818' ' ' TYR . 8.9 tp -148.04 130.68 15.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.109 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -88.86 127.27 35.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.696 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.438 HG21 HD11 ' A' ' 851' ' ' ILE . 9.5 mm -112.48 148.21 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.947 0.403 . . . . 0.0 111.317 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -121.33 123.65 42.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.559 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 11.6 tp -67.85 165.07 18.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.53 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.3 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.918 0.389 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.1 mt -141.26 138.28 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . 0.518 HD12 ' HB ' ' A' ' 782' ' ' THR . 0.2 OUTLIER -77.32 131.76 38.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.684 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . 0.446 ' HB2' HG21 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -123.4 104.47 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.008 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -79.72 125.97 30.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.68 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . 0.494 HG21 HG21 ' A' ' 798' ' ' ILE . 10.4 mt -116.0 88.44 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 111.137 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 51.5 p -75.97 80.46 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 179.86 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.74 0.305 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.463 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 19.1 mt -85.54 120.38 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -105.52 122.06 45.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 782' ' ' THR . . . . . 0.518 ' HB ' HD12 ' A' ' 763' ' ' LEU . 43.2 p -82.61 129.28 34.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 38.9 tp -125.19 139.87 53.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.2 70.21 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.694 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.446 HG21 ' HB2' ' A' ' 764' ' ' PHE . 1.9 t -65.04 140.28 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.173 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -101.16 163.83 12.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.727 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -79.2 -24.61 43.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 23.0 m -84.38 23.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -102.16 -177.67 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -132.19 -170.98 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.685 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -75.68 -49.58 17.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -64.08 -40.12 95.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.999 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.56 -28.11 68.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.01 -54.32 15.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 796' ' ' MET . 0.4 OUTLIER -59.98 -27.02 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.27 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.533 ' HE2' ' HB3' ' A' ' 796' ' ' MET . 17.7 ttp -70.1 -41.41 74.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.74 97.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.494 HG21 HG21 ' A' ' 766' ' ' ILE . 44.2 mt -62.01 -41.5 91.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.807 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.757 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.748 0.309 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -141.01 139.7 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.413 HD12 HG23 ' A' ' 851' ' ' ILE . 10.8 pt -138.01 156.93 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.023 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 4.9 mttp -111.14 124.84 52.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.028 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -106.51 145.57 31.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.36 121.87 17.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.975 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.95 -171.39 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.33 -17.18 58.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.73 -6.05 47.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.952 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 91.84 3.26 68.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.17 136.61 37.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.462 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 96.9 m-85 -73.98 124.7 26.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.19 158.82 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 4.9 t -79.74 141.44 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.287 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.88 108.86 11.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.795 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -150.65 38.54 0.87 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.641 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.61 149.39 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.74 0.305 . . . . 0.0 110.83 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -60.38 -30.06 69.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -72.29 -33.59 67.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -47.6 85.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.653 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -64.38 -35.54 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -60.51 -54.7 42.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.663 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.74 -29.08 44.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.687 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.19 92.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.863 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -66.8 -45.76 77.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.554 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -63.28 -31.58 72.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.853 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.467 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 39.8 ttp -61.52 -57.71 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.808 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 4.6 mt -69.18 -20.81 64.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.785 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.0 -46.34 81.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.304 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -87.66 -27.0 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.5 OUTLIER -83.59 0.88 44.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 56.35 24.85 8.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.32 133.75 35.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.752 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.34 9.25 18.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.217 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -154.83 159.16 40.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . . . . . . . . . 11.9 tp -140.64 156.75 46.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.53 115.9 30.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.733 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.413 HG23 HD12 ' A' ' 816' ' ' ILE . 3.5 mm -115.58 153.87 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.176 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -126.54 136.35 52.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.522 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.31 146.93 26.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.087 -179.858 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 121.019 0.438 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 763' ' ' LEU . 4.6 mt -141.1 134.48 31.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . 0.41 ' N ' HG22 ' A' ' 762' ' ' ILE . 0.6 OUTLIER -80.86 121.97 26.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.589 179.69 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . 0.503 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -108.78 102.43 11.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.185 -179.732 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -81.13 125.06 29.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.364 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 5.6 mt -116.07 107.21 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.197 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.46 77.81 9.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.738 0.304 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 17.0 mt -85.76 107.06 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.417 ' HB2' HD12 ' A' ' 766' ' ' ILE . 52.4 m-85 -88.12 143.88 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.788 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 76.9 p -111.66 106.75 15.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 1.3 tt -108.28 121.71 45.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.805 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.17 76.06 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.483 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.503 HG23 ' HB2' ' A' ' 764' ' ' PHE . 13.4 t -69.63 129.68 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.38 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -76.1 -174.07 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.769 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -112.81 -19.38 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.7 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 6.6 m -88.62 13.58 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -88.61 178.69 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.206 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -121.21 -161.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.721 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -80.77 -54.13 5.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.64 -40.56 95.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -31.51 72.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.1 -53.73 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.78 -25.58 38.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 3.0 mtm -73.8 -40.39 63.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.9 -36.65 84.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.3 mt -66.29 -41.9 89.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.775 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.711 179.716 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 37.9 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.873 0.368 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.25 148.92 26.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 4.7 pt -135.94 136.26 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.191 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.535 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 43.6 mttt -88.35 131.02 34.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.964 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.456 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 30.7 p90 -115.59 142.12 47.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.843 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.62 135.63 51.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.026 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -99.98 -165.97 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -12.81 60.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.37 -8.73 41.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.044 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 94.39 -19.48 53.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.594 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.78 163.16 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.469 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 66.7 m-85 -97.95 118.46 34.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.641 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.85 153.35 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.283 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 40.9 t -78.6 138.13 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 818' ' ' TYR . 0.8 OUTLIER -121.12 104.64 9.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.799 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -140.03 24.7 2.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.641 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 1.6 m -144.83 150.26 36.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -33.37 74.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.98 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -31.84 71.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.43 -46.94 83.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -63.38 -35.8 81.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.717 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -60.9 -51.66 68.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.89 -32.84 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.1 88.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.759 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -63.83 -44.0 94.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.508 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.42 -22.99 65.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.86 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 41.1 ttp -71.51 -40.12 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 3.6 mt -87.72 -8.89 55.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -83.93 -26.36 29.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -98.35 11.15 38.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -140.7 4.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 58.75 17.06 4.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.04 121.46 15.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.739 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.48 28.12 8.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -163.11 170.26 18.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.033 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . . . . . . . . . 11.7 tp -162.72 146.75 11.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.768 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 0.428 ' O ' HD13 ' A' ' 851' ' ' ILE . 68.1 m-20 -95.96 134.45 38.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.519 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 29.5 mm -123.27 134.66 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.183 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -111.68 133.3 54.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.71 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.95 168.14 19.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.535 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 3.0 m-85 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.918 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.809 0.338 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 4.1 mt -136.19 128.29 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.72 106.39 7.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.534 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . 0.497 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -89.06 112.69 23.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.242 -179.616 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 23.7 mtt180 -89.44 118.87 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.372 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 781' ' ' PHE . 3.2 mt -116.01 97.88 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 111.257 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.27 81.53 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 78.9 t80 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.515 179.737 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.834 0.349 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.428 ' CG2' ' HB3' ' A' ' 765' ' ' ARG . 7.9 mt -68.77 116.68 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.238 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.5 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 30.6 m-85 -88.45 170.4 10.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 26.1 p -141.73 92.04 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.028 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.09 133.78 45.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.108 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 74.72 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.497 HG23 ' HB2' ' A' ' 764' ' ' PHE . 4.3 t -64.38 138.64 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.2 169.65 9.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.826 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -94.55 -3.77 49.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.768 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 16.3 m -102.59 9.18 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 23.6 m0 -87.51 -173.25 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -137.21 -172.28 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.522 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -70.99 -41.37 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.61 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.68 -37.78 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . 0.464 ' HA ' ' HE1' ' A' ' 796' ' ' MET . 0.5 OUTLIER -67.45 -31.34 71.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.763 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.17 -55.72 9.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.823 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -24.75 29.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.464 ' HE1' ' HA ' ' A' ' 793' ' ' ASP . 9.4 mtm -77.4 -33.18 55.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.648 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.18 -50.24 64.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 3.1 mt -59.8 -49.21 84.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.753 0.311 . . . . 0.0 111.358 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -157.58 127.32 6.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.258 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 1.6 pt -146.66 143.09 20.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.708 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.524 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 13.2 mttp -106.69 128.49 54.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.124 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.432 ' HB2' HD21 ' A' ' 849' ' ' LEU . 44.9 p90 -103.8 148.96 25.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -72.45 127.02 31.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.957 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.79 -177.97 5.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.028 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -67.43 -24.38 65.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.93 -6.97 58.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.788 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 87.36 6.02 78.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.79 129.02 44.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.524 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 72.2 m-85 -66.39 115.0 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.619 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.43 153.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.195 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 3.2 t -71.62 149.98 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.3 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.666 HD12 ' HB3' ' A' ' 833' ' ' ASP . 1.2 tp -137.41 94.11 2.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.735 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.18 27.41 2.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.6 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 5.2 m -144.89 150.93 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.784 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -34.8 74.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -69.35 -34.96 75.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.964 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.666 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -56.72 -43.71 80.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.715 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . 0.413 ' CH2' HG11 ' A' ' 785' ' ' VAL . 38.6 t-105 -67.02 -41.39 86.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.521 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -55.17 -47.2 75.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 38.7 t -66.91 -28.42 42.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.991 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.47 91.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' A' ' 834' ' ' TRP . 0.1 OUTLIER -67.9 -49.54 61.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.507 179.559 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 842' ' ' ALA . 0.9 OUTLIER -59.52 -29.55 67.96 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.68 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.426 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.1 ttm -64.55 -54.41 32.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.428 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.86 -9.98 54.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.489 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 839' ' ' GLU . . . -75.4 -56.4 4.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -74.7 -35.78 62.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.1 m-80 -73.76 -6.79 49.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 57.36 25.97 11.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 178.67 3.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 -25.03 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.193 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -123.75 -178.84 4.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.816 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 818' ' ' TYR . 13.1 tp -161.27 134.11 6.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.28 123.5 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.424 HD13 HG21 ' A' ' 851' ' ' ILE . 8.9 mm -118.09 138.58 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.246 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.85 136.44 45.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.575 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.25 150.36 22.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.093 -179.876 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.9 mt -122.29 129.31 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.366 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 848' ' ' PHE . 0.3 OUTLIER -78.02 93.85 4.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.555 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . 0.543 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.2 OUTLIER -92.25 120.63 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.17 -179.797 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . 0.51 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 7.3 mtp180 -99.75 131.18 45.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.56 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . . . . . . . . . 4.8 mt -123.37 106.11 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.277 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 21.7 t -76.73 83.04 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.801 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 77.6 t80 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.04 -179.863 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.851 0.358 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 50.5 mt -73.8 113.12 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.097 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.51 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 16.7 m-85 -88.21 148.31 24.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 25.9 p -122.41 93.15 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.025 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 9.4 tp -110.16 128.05 55.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.2 mp -80.45 78.0 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.547 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.543 HG23 ' HB2' ' A' ' 764' ' ' PHE . 6.5 t -64.39 118.13 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.169 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.71 166.47 15.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.123 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -88.37 -21.1 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.732 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 15.5 m -87.33 27.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.978 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -107.29 -179.68 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.035 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -130.26 -174.54 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.751 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -67.93 -51.4 48.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.794 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.51 -35.15 79.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.91 -37.91 79.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.669 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.421 HD11 HG13 ' A' ' 785' ' ' VAL . 1.8 tt -63.73 -52.5 60.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.81 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 796' ' ' MET . 0.5 OUTLIER -65.48 -25.95 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.284 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.464 ' N ' HG23 ' A' ' 795' ' ' ILE . 0.2 OUTLIER -73.0 -39.69 65.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.972 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.55 80.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 794' ' ' LEU . 22.8 mt -64.8 -47.77 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 21.7 m120 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.732 179.823 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.694 0.283 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 146.45 50.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.425 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 2.8 pt -145.0 147.29 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.567 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 13.0 mttt -100.09 116.78 32.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.278 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.485 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 28.7 p90 -104.77 139.85 38.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . 0.46 ' HB3' HD11 ' A' ' 849' ' ' LEU . 47.9 tt0 -65.56 128.8 37.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.59 ' HA ' ' HE2' ' A' ' 840' ' ' MET . 1.1 t70 -92.74 176.44 6.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.75 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -8.74 55.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.768 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.21 4.52 52.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 72.83 29.19 65.59 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.559 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -133.4 135.0 44.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.319 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.533 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 63.8 m-85 -72.1 119.88 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.715 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 820' ' ' ASP . 0.0 OUTLIER -109.0 151.55 11.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 -179.797 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.459 HG13 ' HH ' ' A' ' 854' ' ' TYR . 3.8 t -67.71 139.83 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.354 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 818' ' ' TYR . 0.4 OUTLIER -130.49 101.32 5.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.769 179.76 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -146.93 52.42 0.56 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.76 161.34 11.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.795 0.331 . . . . 0.0 110.959 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.99 -32.58 73.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.83 -35.51 69.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.474 ' HB3' HD13 ' A' ' 828' ' ' LEU . 83.0 m-20 -59.34 -48.85 80.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.78 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 30.9 t-105 -64.67 -34.31 78.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.697 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.28 -49.53 75.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 37.0 t -66.13 -31.38 53.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.83 -47.21 85.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -63.21 -42.96 99.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.675 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.27 -25.9 67.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.873 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.59 ' HE2' ' HA ' ' A' ' 820' ' ' ASP . 1.8 ttm -65.18 -52.82 52.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.609 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.444 ' HA ' ' HB2' ' A' ' 846' ' ' GLU . 7.8 mt -70.44 -16.79 62.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.549 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -77.91 -42.09 34.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.266 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.28 -4.88 58.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.5 OUTLIER -110.92 4.38 19.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.0 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 57.51 20.84 6.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 0.7 OUTLIER -72.81 -174.06 1.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.63 -27.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.228 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . 0.405 ' HB2' ' HB3' ' A' ' 763' ' ' LEU . 12.4 p90 -127.58 -176.57 3.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.863 0.364 . . . . 0.0 111.155 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.46 HD11 ' HB3' ' A' ' 819' ' ' GLN . 13.1 tp -165.18 151.88 10.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.594 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . 0.457 ' O ' HD12 ' A' ' 851' ' ' ILE . 1.5 m-80 -107.32 134.64 50.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.196 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.457 HD12 ' O ' ' A' ' 850' ' ' ASN . 5.3 mm -126.05 146.43 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.801 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -134.13 139.67 46.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.746 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.53 173.63 3.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.567 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.6 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 30.7 p . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.814 0.34 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 7.1 mt -133.32 136.41 54.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.28 136.25 40.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . 0.533 ' HB2' HG21 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -125.41 100.55 6.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.335 -179.587 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 0.4 OUTLIER -74.55 127.4 33.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.161 179.454 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 9.3 mt -123.33 97.5 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.324 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 58.3 p -87.48 109.37 19.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . 0.5 ' CD2' ' HG ' ' A' ' 853' ' ' LEU . 10.1 t80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.756 0.312 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 5.8 mt -87.75 121.91 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 44.4 m-85 -99.23 173.67 6.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 74.3 p -131.99 105.34 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.986 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 797' ' ' ALA . 0.6 OUTLIER -101.62 134.48 44.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.16 65.56 8.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.477 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.533 HG21 ' HB2' ' A' ' 764' ' ' PHE . 13.0 t -64.58 108.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.207 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.34 178.19 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -95.93 -14.91 22.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.41 13.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -95.35 -170.29 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.085 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -140.94 -169.14 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.414 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -70.4 -49.47 48.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.77 -45.73 85.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.992 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -30.34 70.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.694 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 3.4 tt -69.44 -57.36 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.806 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.498 ' HA ' HD12 ' A' ' 798' ' ' ILE . 3.1 tp -60.49 -24.92 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 796' ' ' MET . . . . . 0.426 ' N ' HG21 ' A' ' 795' ' ' ILE . 32.5 tpp -71.87 -36.68 70.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . 0.488 ' HB2' HD11 ' A' ' 783' ' ' LEU . . . -66.42 -43.84 84.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.25 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 795' ' ' ILE . 5.9 mt -60.63 -46.99 94.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.819 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.798 0.332 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.41 118.17 0.64 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 5.9 pt -144.91 151.82 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.537 ' HD2' ' HH ' ' A' ' 854' ' ' TYR . 61.0 mttt -111.91 129.89 56.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.98 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.618 ' HB2' HD22 ' A' ' 849' ' ' LEU . 24.4 p90 -103.59 146.45 28.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.03 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -73.42 138.11 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.997 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.621 ' HA ' ' HE2' ' A' ' 840' ' ' MET . 0.5 OUTLIER -93.83 -176.5 4.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.2 -21.33 64.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -97.7 6.96 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.721 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 71.33 43.58 54.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.461 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -126.17 121.17 32.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -66.38 108.67 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.19 152.84 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.213 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.49 HG23 ' HE2' ' A' ' 817' ' ' LYS . 4.1 t -66.99 153.87 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.638 HD11 ' HB3' ' A' ' 833' ' ' ASP . 1.7 tp -146.42 94.91 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.681 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.45 35.39 2.02 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.611 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 830' ' ' SER . . . . . 0.401 ' HG ' ' HB2' ' A' ' 833' ' ' ASP . 60.2 p -154.46 147.66 24.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -60.57 -27.8 67.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -71.65 -40.65 69.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.638 ' HB3' HD11 ' A' ' 828' ' ' LEU . 3.3 m-20 -57.59 -40.9 80.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.615 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -67.41 -36.17 80.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.338 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -61.86 -50.1 73.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.486 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 15.1 t -63.53 -32.05 55.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.784 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -61.33 -37.97 85.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.646 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -42.69 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.425 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.54 -26.45 68.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.435 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.621 ' HE2' ' HA ' ' A' ' 820' ' ' ASP . 44.6 ttp -70.32 -45.66 65.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.481 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.579 HD21 HD13 ' A' ' 849' ' ' LEU . 5.9 mt -76.45 -18.33 58.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.845 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.91 -37.0 41.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.199 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -90.38 -7.35 53.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.7 OUTLIER -116.83 -2.32 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.0 18.32 6.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' A' ' 841' ' ' LEU . 1.0 OUTLIER -68.87 124.29 23.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.26 14.82 24.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.982 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -152.64 157.48 41.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.749 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.618 HD22 ' HB2' ' A' ' 818' ' ' TYR . 8.6 tp -150.26 132.08 15.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.046 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -85.16 123.51 30.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.004 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.432 HG13 ' CE2' ' A' ' 764' ' ' PHE . 5.3 mm -120.25 141.71 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.249 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -112.99 142.05 46.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.827 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.5 ' HG ' ' CD2' ' A' ' 768' ' ' TYR . 0.2 OUTLIER -88.32 148.6 24.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.047 -179.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.537 ' HH ' ' HD2' ' A' ' 817' ' ' LYS . 94.6 m-85 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.972 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.682 0.277 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 16.4 mt -134.5 133.03 54.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.193 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.63 83.85 5.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.725 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.13 107.45 5.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.169 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 849' ' ' LEU . 25.4 mtm180 -83.56 127.96 34.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.435 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 2.4 mt -115.87 87.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.783 0.325 . . . . 0.0 111.218 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.38 92.62 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . 0.475 ' CD2' ' HG ' ' A' ' 853' ' ' LEU . 4.1 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.836 0.35 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.499 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.3 mt -85.42 124.69 40.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.203 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -108.96 121.8 45.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.745 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 49.7 p -91.79 119.83 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 9.7 tp -122.94 138.34 54.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.84 83.53 7.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.664 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.409 HG12 ' CE3' ' A' ' 789' ' ' TRP . 3.4 t -70.96 147.73 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.173 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . 0.437 ' HB3' HG21 ' A' ' 788' ' ' VAL . 5.7 mm-40 -106.35 145.48 31.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.798 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -70.51 -6.59 37.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.982 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . 0.437 HG21 ' HB3' ' A' ' 786' ' ' GLU . 16.1 m -100.48 30.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.409 ' CE3' HG12 ' A' ' 785' ' ' VAL . 9.3 m0 -110.92 -171.28 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -136.13 -177.6 4.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.556 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . 0.411 ' CZ ' ' HA2' ' A' ' 829' ' ' GLY . 74.2 t80 -68.74 -49.42 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 795' ' ' ILE . 22.0 t70 -63.72 -35.34 80.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.741 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -33.71 69.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -50.75 65.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 792' ' ' ASP . 0.5 OUTLIER -65.96 -25.19 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.176 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 1.8 ttp -72.48 -41.08 66.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.814 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.67 91.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 12.0 mt -61.63 -45.87 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.662 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.578 179.608 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.76 0.314 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 134.73 38.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.568 HG21 HD23 ' A' ' 853' ' ' LEU . 8.3 pt -137.76 155.43 30.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.537 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 17.0 mttt -119.41 126.96 52.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.516 ' HA ' HD11 ' A' ' 851' ' ' ILE . 33.9 p90 -100.19 141.6 32.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.096 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -66.2 136.53 56.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.45 -177.86 4.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -25.27 66.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.73 -21.64 34.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 101.38 24.42 8.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.58 128.96 55.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 40.2 m-85 -66.88 115.44 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.95 148.94 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.441 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 22.1 t -64.38 145.27 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.314 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.412 HD13 ' HB3' ' A' ' 833' ' ' ASP . 0.7 OUTLIER -137.09 95.91 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.772 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . 0.411 ' HA2' ' CZ ' ' A' ' 791' ' ' PHE . . . -137.98 24.36 2.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.682 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.71 156.26 46.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.738 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.85 -36.27 83.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.766 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -37.7 85.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.412 ' HB3' HD13 ' A' ' 828' ' ' LEU . 1.6 m-20 -57.0 -42.62 80.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.686 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -66.55 -35.48 80.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.389 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . 0.651 ' HA ' ' HZ3' ' A' ' 838' ' ' LYS . 1.0 OUTLIER -62.45 -39.87 94.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.517 179.622 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.85 -30.21 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.88 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.71 97.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . 0.651 ' HZ3' ' HA ' ' A' ' 835' ' ' ASN . 9.5 mtmp? -66.96 -37.45 84.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.6 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -74.85 -23.54 58.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.792 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.4 ttm -68.74 -47.87 65.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.664 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 5.5 mt -80.18 -14.82 58.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.515 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 838' ' ' LYS . . . -67.36 -62.63 1.33 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.045 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -67.14 -35.65 80.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.009 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -75.32 -6.13 48.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 57.17 26.19 11.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.96 -164.77 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.07 -27.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -123.07 155.54 36.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.803 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' A' ' 765' ' ' ARG . 15.1 tp -142.48 146.26 34.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.07 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -102.22 123.19 45.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.516 HD11 ' HA ' ' A' ' 818' ' ' TYR . 8.0 mm -118.46 145.03 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.303 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -114.38 138.97 49.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.799 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.568 HD23 HG21 ' A' ' 816' ' ' ILE . 0.2 OUTLIER -91.68 146.16 24.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.424 ' H ' HD12 ' A' ' 853' ' ' LEU . 83.4 m-85 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.089 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.799 0.333 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 847' ' ' LYS . 3.5 mt -139.25 121.95 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . 0.506 HD21 ' HB ' ' A' ' 782' ' ' THR . 0.5 OUTLIER -70.84 105.73 3.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.562 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . 0.543 ' HB2' HG21 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -100.0 117.08 33.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.314 -179.604 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 21.1 mtt-85 -93.23 130.73 38.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.447 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . 0.655 HD13 ' HB2' ' A' ' 781' ' ' PHE . 3.4 mt -123.9 107.57 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.246 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 1.7 t -86.57 138.18 31.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 57.3 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.717 179.792 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.485 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.9 mt -117.0 124.87 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.987 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . 0.655 ' HB2' HD13 ' A' ' 766' ' ' ILE . 11.1 m-85 -98.6 159.26 15.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.786 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 782' ' ' THR . . . . . 0.506 ' HB ' HD21 ' A' ' 763' ' ' LEU . 82.6 p -129.26 89.7 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.181 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.5 128.28 49.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 7.6 mp -79.8 88.2 5.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 764' ' ' PHE . 15.2 t -70.89 131.44 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.079 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 2.0 mm-40 -92.27 152.14 19.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -70.91 -27.97 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 31.6 m -70.57 -12.21 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.025 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . 0.417 ' HB2' ' O ' ' A' ' 786' ' ' GLU . 13.1 m0 -74.42 166.43 23.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.238 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -119.89 -168.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.54 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -69.7 -46.35 66.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.625 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -67.5 -41.25 84.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -32.89 74.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.68 -55.05 11.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 4.5 tp -59.55 -28.16 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 2.5 ttm -72.12 -36.63 69.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.764 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.35 80.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 6.8 mt -69.67 -50.34 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.684 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.932 0.396 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . 0.411 ' HG2' ' CE2' ' A' ' 854' ' ' TYR . 3.0 tttt -166.91 124.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.409 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 1.0 OUTLIER -139.55 151.11 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.388 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.519 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 0.9 OUTLIER -106.15 117.81 34.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.715 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . 0.533 ' HA ' HD11 ' A' ' 851' ' ' ILE . 18.9 p90 -101.28 140.5 35.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -71.34 120.84 17.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.02 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . 0.62 ' HA ' ' HE1' ' A' ' 840' ' ' MET . 3.1 t0 -76.4 -176.27 3.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.787 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.67 -18.32 62.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.3 7.45 45.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 69.45 30.91 71.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.24 119.84 34.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.754 0.311 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -59.67 117.74 5.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.84 156.91 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . 0.43 HG11 ' OH ' ' A' ' 854' ' ' TYR . 3.0 t -75.22 149.4 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.085 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -142.29 105.65 4.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.799 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -142.92 11.68 2.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.03 156.54 44.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -63.99 -31.46 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.01 -35.27 78.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.797 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . 0.459 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -62.5 -49.86 73.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.782 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -61.54 -32.87 72.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.524 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -63.01 -48.76 77.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.737 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.43 -30.39 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.971 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.59 88.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -67.64 -36.12 80.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.509 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.69 -22.52 62.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.563 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.62 ' HE1' ' HA ' ' A' ' 820' ' ' ASP . 0.4 OUTLIER -76.01 -41.4 51.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.538 179.719 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 1.4 mt -83.29 -11.85 57.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.633 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -75.01 -49.33 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.38 10.9 15.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.7 OUTLIER -125.28 1.53 7.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 57.17 24.92 10.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.046 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.48 132.92 34.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.722 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . 0.415 ' O ' HG23 ' A' ' 762' ' ' ILE . 3.8 tptt -112.62 -10.68 13.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.077 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -124.9 177.59 5.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' A' ' 818' ' ' TYR . 16.5 tp -165.94 145.32 6.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -100.0 132.98 45.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.769 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . 0.533 HD11 ' HA ' ' A' ' 818' ' ' TYR . 14.4 mm -123.15 140.36 47.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.928 0.394 . . . . 0.0 111.399 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.33 145.13 43.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.696 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.407 ' HA ' HD11 ' A' ' 853' ' ' LEU . 11.4 tp -82.59 163.49 21.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.047 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.519 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.2 m-85 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.806 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.6 mp -124.4 127.98 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 763' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 763' ' ' LEU . 0.3 OUTLIER -70.93 95.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.54 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 764' ' ' PHE . . . . . 0.54 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -91.03 115.4 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.033 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 765' ' ' ARG . . . . . 0.411 ' HB3' ' CG2' ' A' ' 780' ' ' ILE . 6.6 mtp180 -88.58 130.36 35.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.764 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 766' ' ' ILE . . . . . . . . . . . . . 6.1 mt -123.6 93.0 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.8 109.68 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 41.0 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.95 0.405 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 780' ' ' ILE . . . . . 0.411 ' CG2' ' HB3' ' A' ' 765' ' ' ARG . 16.5 mt -77.81 119.91 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -96.09 172.1 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.644 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 64.2 p -136.13 94.75 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.351 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.25 120.17 41.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.756 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.73 91.31 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 785' ' ' VAL . . . . . 0.54 HG23 ' HB2' ' A' ' 764' ' ' PHE . 5.0 t -76.94 132.73 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.02 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.93 164.7 13.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.991 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -82.43 -18.32 42.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.737 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 31.2 m -86.73 23.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.982 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -105.93 -175.78 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.177 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -138.29 -174.32 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.55 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -68.66 -44.67 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 792' ' ' ASP . . . . . 0.425 ' O ' HG22 ' A' ' 795' ' ' ILE . 28.6 t70 -68.04 -37.31 81.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -31.93 68.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.655 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 794' ' ' LEU . . . . . 0.561 HD22 HD12 ' A' ' 816' ' ' ILE . 1.2 tt -69.41 -51.21 38.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.772 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 795' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 792' ' ' ASP . 3.9 tp -64.03 -23.56 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -35.48 63.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -67.77 -47.2 69.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.278 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 13.1 mt -58.12 -49.99 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.186 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.941 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.865 0.364 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.45 123.85 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.992 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 816' ' ' ILE . . . . . 0.561 HD12 HD22 ' A' ' 794' ' ' LEU . 6.6 pt -137.01 149.63 26.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 817' ' ' LYS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 33.0 mttt -112.82 134.13 54.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.096 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -109.98 149.0 30.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -77.24 135.58 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -105.86 -165.14 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.056 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -18.71 63.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.98 -8.54 58.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 83.91 3.83 89.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.13 160.83 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.727 0.299 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 825' ' ' PHE . . . . . 0.544 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 68.9 m-85 -93.93 107.99 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -91.27 156.53 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.16 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 2.8 t -71.82 148.87 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 828' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.97 96.31 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.793 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.21 29.93 2.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.561 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.96 155.63 43.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.741 0.305 . . . . 0.0 110.933 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.18 -35.69 81.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -67.81 -39.2 84.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.82 -40.6 69.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.653 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -69.25 -36.75 77.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.385 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -61.17 -43.27 99.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.701 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.43 -27.21 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.764 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.91 92.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.723 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -64.47 -42.9 95.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.43 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.34 -20.3 66.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.535 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 840' ' ' MET . . . . . 0.422 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 25.9 ttp -71.18 -53.1 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.38 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 841' ' ' LEU . . . . . 0.482 ' HA ' ' HB2' ' A' ' 846' ' ' GLU . 10.0 mt -72.87 -14.19 61.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.473 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.86 -62.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.01 -36.91 85.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 844' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 840' ' ' MET . 30.3 m-20 -76.06 -6.64 52.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 24.3 t30 57.56 24.84 10.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.666 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 846' ' ' GLU . . . . . 0.482 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 0.5 OUTLIER -66.29 -174.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.932 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -147.7 -30.48 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -128.4 169.66 14.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.924 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 849' ' ' LEU . . . . . . . . . . . . . 13.1 tp -152.1 135.3 15.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -86.61 127.26 34.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 851' ' ' ILE . . . . . . . . . . . . . 5.7 mm -123.82 145.78 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -118.57 143.1 47.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.815 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 853' ' ' LEU . . . . . 0.485 HD22 HG21 ' A' ' 816' ' ' ILE . 0.2 OUTLIER -94.21 148.95 21.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.828 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 854' ' ' TYR . . . . . 0.42 ' N ' HD12 ' A' ' 853' ' ' LEU . 75.6 m-85 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.372 -0.823 . . . . 0.0 111.119 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.79 -18.03 41.89 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.488 2.126 . . . . 0.0 112.222 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.28 133.12 36.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 70.13 57.63 6.77 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.599 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 761' ' ' SER . . . . . 0.461 ' HG ' HD23 ' A' ' 784' ' ' LEU . 19.4 p -156.07 163.21 39.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . 0.415 HG13 ' C ' ' A' ' 761' ' ' SER . 3.6 mt -134.88 129.85 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.49 109.94 8.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.669 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . 0.512 ' HB2' HG22 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -104.47 128.56 52.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -179.847 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.429 ' HB3' ' CG2' ' A' ' 780' ' ' ILE . 1.0 OUTLIER -110.03 130.01 55.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.543 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . 0.494 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 0.7 OUTLIER -125.92 103.48 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.29 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 9.4 t -78.89 72.62 5.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . 0.472 ' OH ' HG21 ' A' ' 810' ' ' ILE . 70.5 t80 -61.47 113.12 2.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.005 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -95.29 155.14 16.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . 0.475 ' HB3' ' HB2' ' A' ' 776' ' ' SER . 17.1 t-20 -82.92 -62.22 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -143.8 3.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 9.1 t 56.94 88.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -152.08 -165.58 2.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.03 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -66.71 -15.7 63.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.62 123.13 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 776' ' ' SER . . . . . 0.475 ' HB2' ' HB3' ' A' ' 770' ' ' ASN . 0.9 OUTLIER -161.15 -16.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.966 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.24 85.32 0.08 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.041 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.8 145.97 51.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -121.65 123.89 42.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.662 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 12.9 mt -105.69 113.2 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.332 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -90.12 151.29 21.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.724 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 44.7 p -125.15 107.91 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.307 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -122.81 143.76 49.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . 0.461 HD23 ' HG ' ' A' ' 761' ' ' SER . 6.5 mp -83.55 100.15 10.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.329 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.512 HG22 ' HB2' ' A' ' 764' ' ' PHE . 11.9 t -79.58 118.86 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.56 162.75 28.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.079 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -88.68 -10.21 49.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.723 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 24.0 m -95.3 16.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 11.9 m0 -96.13 -176.11 3.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.072 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -136.66 -176.55 4.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.325 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.29 -42.51 96.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.826 0.346 . . . . 0.0 110.632 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.502 ' O ' HG22 ' A' ' 795' ' ' ILE . 3.2 p-10 -69.75 -43.72 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.41 -25.68 67.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.742 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.21 -53.51 9.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.827 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.502 HG22 ' O ' ' A' ' 792' ' ' ASP . 3.6 tp -63.01 -24.49 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.199 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 16.0 ttm -72.89 -41.61 64.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.751 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.5 90.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.422 ' O ' HG13 ' A' ' 802' ' ' ILE . 14.1 mt -64.81 -40.78 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.172 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -57.78 -49.32 76.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.959 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 4.2 m -61.57 -29.78 70.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -65.39 -34.99 79.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 798' ' ' ILE . 14.4 mt -72.91 -33.4 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.995 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 10.0 t -87.2 -11.97 48.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -72.82 -33.8 66.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.02 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 805' ' ' THR . . . . . 0.441 HG21 ' H ' ' A' ' 806' ' ' HIS . 0.1 OUTLIER -104.44 -47.6 4.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.231 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.441 ' H ' HG21 ' A' ' 805' ' ' THR . 0.0 OUTLIER -82.13 121.63 26.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.697 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.56 -29.51 69.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.38 179.7 2.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -132.7 96.03 3.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.472 HG21 ' OH ' ' A' ' 768' ' ' TYR . 1.1 pt -77.81 178.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.54 140.75 97.81 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.755 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.35 118.14 5.13 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.422 2.081 . . . . 0.0 112.228 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.9 mm -76.48 142.12 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.28 11.79 1.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.334 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.466 ' HE2' ' HZ1' ' A' ' 817' ' ' LYS . 14.4 tttt -143.72 119.58 10.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.911 0.386 . . . . 0.0 111.069 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.556 HD13 HG23 ' A' ' 851' ' ' ILE . 18.8 pt -138.5 148.29 24.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.516 ' HG2' ' HA ' ' A' ' 827' ' ' VAL . 31.7 mttp -111.63 129.39 56.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -103.02 158.89 15.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -85.46 130.15 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.095 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.556 ' HA ' ' HE3' ' A' ' 840' ' ' MET . 17.2 p-10 -91.2 -160.41 0.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -26.49 55.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.185 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -79.97 -32.22 39.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.079 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 114.15 -1.56 24.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -87.44 153.82 21.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.5 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 51.7 m-85 -85.3 112.87 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.784 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.55 140.4 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.516 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 14.5 t -61.81 146.58 11.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.564 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.411 ' N ' HG11 ' A' ' 827' ' ' VAL . 0.5 OUTLIER -142.26 94.36 2.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.584 179.806 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -135.14 13.7 4.35 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.617 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.29 160.47 29.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -68.25 -45.26 73.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -29.76 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.981 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.19 -32.26 73.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.635 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -75.26 -38.22 60.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.633 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -61.53 -44.82 96.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.683 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 37.7 t -66.96 -33.51 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.879 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.45 -39.74 80.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.674 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -68.93 -41.11 78.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.455 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.41 -20.01 64.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.579 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.556 ' HE3' ' HA ' ' A' ' 820' ' ' ASP . 2.9 tmm? -72.29 -53.09 13.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.551 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 849' ' ' LEU . 2.4 mt -72.05 -20.19 61.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.701 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.62 -53.2 30.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.215 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.74 -34.75 67.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -79.18 -2.47 41.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 57.14 22.25 7.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -171.72 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.103 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.78 -27.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.007 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -117.45 175.28 5.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.79 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.542 HD12 HD21 ' A' ' 841' ' ' LEU . 12.5 tp -158.63 141.58 14.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -100.81 121.19 41.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.556 HG23 HD13 ' A' ' 816' ' ' ILE . 3.4 mm -118.28 146.06 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 854' ' ' TYR . 5.7 ttt-85 -115.07 141.72 47.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.531 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -94.52 143.85 26.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.621 179.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.531 ' H ' HD13 ' A' ' 853' ' ' LEU . 64.2 m-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.186 -0.912 . . . . 0.0 111.194 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.37 -23.86 14.84 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.544 2.163 . . . . 0.0 112.359 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 5.9 mt -82.38 171.5 14.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -95.26 52.19 1.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.412 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.4 -168.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . 0.526 HG23 HD13 ' A' ' 841' ' ' LEU . 2.2 mp -135.78 129.26 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.08 135.8 42.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.624 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.42 104.23 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.545 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.499 ' HB3' HG23 ' A' ' 780' ' ' ILE . 10.4 mtp180 -82.51 131.55 35.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.987 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . 0.603 HG12 HG22 ' A' ' 798' ' ' ILE . 2.1 mp -121.18 97.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 0.0 111.463 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 767' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 853' ' ' LEU . 13.5 t -77.69 120.8 23.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.853 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -116.52 125.09 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -101.92 132.68 47.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -85.7 -55.3 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -128.54 56.79 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.03 32.49 21.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . 0.527 HD22 ' HB2' ' A' ' 778' ' ' SER . 0.6 OUTLIER 58.47 78.73 0.24 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -71.46 -58.57 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.7 -70.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 5.2 m -151.72 54.39 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.801 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.31 18.27 20.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 778' ' ' SER . . . . . 0.527 ' HB2' HD22 ' A' ' 773' ' ' ASN . 28.8 t -82.33 144.55 30.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -139.57 116.32 10.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.529 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 3.1 mt -104.91 132.61 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 4.3 m-85 -102.32 159.55 15.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.996 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 34.6 p -123.19 107.59 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 14.0 tp -109.48 125.54 52.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.31 81.58 5.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.439 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 3.4 t -71.14 130.23 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -89.16 179.09 6.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.818 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -95.27 -21.18 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 4.2 m -85.54 28.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -111.76 178.79 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.077 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.72 -170.92 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.447 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -70.4 -49.69 46.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.74 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 796' ' ' MET . 38.9 t70 -66.31 -33.49 75.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -31.71 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.406 ' HG ' HD12 ' A' ' 798' ' ' ILE . 1.4 tt -74.69 -51.15 15.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.823 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 2.9 tp -61.15 -29.93 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.427 ' HB2' ' O ' ' A' ' 792' ' ' ASP . 0.3 OUTLIER -74.36 -38.5 63.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.793 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.33 -52.55 57.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.603 HG22 HG12 ' A' ' 766' ' ' ILE . 16.1 mt -58.67 -35.46 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -59.72 -43.39 94.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.394 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.03 -19.75 61.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.474 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.73 -28.7 61.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.574 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 798' ' ' ILE . 2.4 mt -86.55 -28.6 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.83 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 10.9 t -103.12 59.63 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.82 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -141.54 -41.93 0.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.048 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 6.6 t -114.39 -7.95 12.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.269 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.91 -168.65 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -59.39 -72.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -140.79 -74.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -153.52 125.75 7.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.139 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.1 pt -99.42 163.14 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.912 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 1.2 t -60.38 141.2 91.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.001 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -57.84 176.84 0.29 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.694 2.263 . . . . 0.0 112.38 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.68 HG12 HD11 ' A' ' 853' ' ' LEU . 0.9 OUTLIER -119.13 -63.07 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 5.0 p 54.57 21.11 3.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.9 93.19 0.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 17.7 pt -120.69 146.71 25.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.556 ' HG2' ' HA ' ' A' ' 827' ' ' VAL . 11.4 mttt -109.97 136.71 48.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.04 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.438 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 23.9 p90 -112.94 147.25 37.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -73.77 147.32 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.052 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -113.27 -164.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -70.53 -32.17 69.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.17 -5.59 47.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 86.89 -11.4 64.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.32 169.83 17.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.347 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -108.01 115.73 30.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.696 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.66 152.48 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.556 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 2.6 t -71.99 151.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.416 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.438 ' HB2' ' CD1' ' A' ' 818' ' ' TYR . 0.5 OUTLIER -141.4 98.83 3.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.726 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -140.71 33.63 2.03 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.3 149.59 27.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -58.47 -33.14 69.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . 0.424 ' O ' HG21 ' A' ' 836' ' ' VAL . 1.8 tp10 -66.55 -36.59 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.53 -49.14 78.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.729 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -62.18 -29.74 70.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.404 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -67.39 -48.82 66.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.598 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 832' ' ' GLU . 21.1 t -66.83 -30.23 48.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.749 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.42 97.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.601 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -65.81 -45.24 83.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.486 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.69 -27.12 69.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.621 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.427 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 48.2 ttp -65.0 -55.23 20.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.491 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.526 HD13 HG23 ' A' ' 762' ' ' ILE . 5.7 mt -68.05 -13.8 62.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.619 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.58 -50.2 11.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -83.89 -1.47 54.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.927 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 840' ' ' MET . 1.7 m-80 -112.72 -0.49 15.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.7 m120 57.09 20.63 5.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.506 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 2.3 mm-40 -66.76 179.77 1.02 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.69 -28.04 0.35 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -129.37 168.22 16.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.833 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . . . . . . . . . 12.3 tp -153.77 125.25 7.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -78.09 136.62 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.454 HG22 ' N ' ' A' ' 852' ' ' ARG . 22.9 mm -123.27 145.88 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.454 ' N ' HG22 ' A' ' 851' ' ' ILE . 0.0 OUTLIER -110.23 135.71 50.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.698 179.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.68 HD11 HG12 ' A' ' 813' ' ' ILE . 0.2 OUTLIER -90.96 147.46 23.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.48 ' H ' HD13 ' A' ' 853' ' ' LEU . 87.3 m-85 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.063 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 CA-C-O 120.187 -0.229 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.44 -41.81 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.589 2.192 . . . . 0.0 112.421 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.04 64.53 5.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . 0.402 ' HA2' ' HZ2' ' A' ' 787' ' ' LYS . . . 164.38 -178.15 39.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.519 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 761' ' ' SER . . . . . 0.421 ' C ' HG13 ' A' ' 762' ' ' ILE . 4.5 m 60.99 174.77 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.047 0.451 . . . . 0.0 111.262 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . 0.421 HG13 ' C ' ' A' ' 761' ' ' SER . 18.4 mt -142.11 131.71 23.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.018 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.429 HD21 ' HA ' ' A' ' 763' ' ' LEU . 0.2 OUTLIER -76.12 94.76 3.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 179.588 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.65 95.59 10.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.316 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 33.7 mtt180 -73.49 134.58 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.369 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . . . . . . . . . 1.5 mt -125.55 98.62 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.791 0.329 . . . . 0.0 111.419 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 2.1 t -87.38 82.7 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -78.96 138.73 38.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -121.97 111.08 16.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -78.3 -16.86 57.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -109.52 -159.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 2.7 t -130.18 -55.0 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.023 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.81 99.59 4.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.001 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -138.63 -170.54 2.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 40.1 p -82.14 -48.01 11.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.87 105.75 0.6 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.27 18.99 1.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.818 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 61.5 p -87.15 121.32 29.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.68 113.9 26.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.854 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 12.7 mt -94.35 124.52 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.442 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 28.5 m-85 -96.23 177.76 5.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.757 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 48.0 p -138.71 90.98 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.038 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.538 ' HB2' ' HE3' ' A' ' 801' ' ' LYS . 50.9 tp -99.12 114.55 27.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.029 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.46 85.68 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.737 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 3.7 t -77.17 146.89 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.143 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.11 170.6 9.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . 0.402 ' HZ2' ' HA2' ' A' ' 760' ' ' GLY . 13.6 mttp -91.74 -22.18 20.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 29.8 m -90.89 25.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -101.35 -178.64 3.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.181 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -130.14 -164.59 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.55 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -77.56 -49.95 13.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.776 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -62.62 -37.36 85.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -68.45 -27.25 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 2.4 tt -71.23 -49.79 39.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.799 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -67.04 -21.35 28.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.35 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 7.8 tpp -73.2 -48.64 33.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.148 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.08 95.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.435 ' O ' HG12 ' A' ' 802' ' ' ILE . 18.9 mt -59.86 -46.97 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.913 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.72 -40.89 80.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.84 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 28.3 t -65.13 -31.48 72.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.745 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.538 ' HE3' ' HB2' ' A' ' 783' ' ' LEU . 0.5 OUTLIER -67.72 -31.83 72.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.443 HG13 HD13 ' A' ' 813' ' ' ILE . 2.4 mm -73.2 -54.09 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.743 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 803' ' ' SER . . . . . 0.465 ' HA ' HD22 ' A' ' 809' ' ' ASN . 1.2 t -74.51 73.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.065 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -174.58 -35.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.708 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 33.3 p -101.7 -161.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.044 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 59.31 -165.85 0.19 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -87.81 -52.3 5.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.038 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -124.5 -85.0 0.65 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . 0.465 HD22 ' HA ' ' A' ' 803' ' ' SER . 0.4 OUTLIER -171.28 136.5 1.04 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.847 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.4 pt -103.66 -173.06 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.154 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 1.1 t -60.68 145.58 87.56 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.95 -177.22 3.48 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.631 2.221 . . . . 0.0 112.474 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.443 HD13 HG13 ' A' ' 802' ' ' ILE . 0.4 OUTLIER -118.47 158.0 19.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.08 -56.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.394 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.66 143.96 46.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.38 . . . . 0.0 111.197 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 2.4 pt -146.58 149.36 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.789 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.475 ' HD2' ' HH ' ' A' ' 854' ' ' TYR . 15.9 mttp -109.16 125.54 52.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.993 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.543 ' HA ' HD13 ' A' ' 851' ' ' ILE . 27.6 p90 -97.76 138.52 35.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -72.22 126.51 29.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.606 ' HA ' ' HE1' ' A' ' 840' ' ' MET . 0.4 OUTLIER -79.59 -177.03 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.8 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -71.89 -5.1 32.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.93 11.61 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 69.83 16.84 72.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.581 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.24 116.01 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.756 0.313 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.416 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 53.0 m-85 -64.56 125.02 23.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.983 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.22 153.97 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.422 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 3.4 t -64.78 151.51 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.213 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.407 ' HB2' ' CD1' ' A' ' 818' ' ' TYR . 0.6 OUTLIER -145.25 94.84 2.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.71 179.751 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -140.32 41.79 1.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 3.6 t -157.3 160.55 38.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -38.12 76.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.801 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -34.06 77.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.711 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.83 -45.42 92.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.7 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -62.42 -38.33 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.508 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -60.11 -45.86 91.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.786 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 13.9 t -63.31 -31.9 54.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.739 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.69 92.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.656 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -65.45 -41.88 92.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.48 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.421 ' HA ' ' HB1' ' A' ' 842' ' ' ALA . 4.7 mm-40 -68.79 -28.69 67.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.575 179.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.606 ' HE1' ' HA ' ' A' ' 820' ' ' ASP . 1.6 ttm -63.29 -46.97 84.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.604 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.498 ' HB3' ' O ' ' A' ' 846' ' ' GLU . 2.2 mt -78.47 -14.37 59.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.722 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . 0.421 ' HB1' ' HA ' ' A' ' 839' ' ' GLU . . . -79.26 -32.87 43.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.343 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -102.02 6.39 41.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.7 m-80 -127.78 -1.34 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.11 14.92 3.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.498 ' O ' ' HB3' ' A' ' 841' ' ' LEU . 1.5 mt-10 -66.74 122.22 17.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.651 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.65 15.05 30.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -155.75 169.63 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.544 HD13 ' HE3' ' A' ' 840' ' ' MET . 11.7 tp -156.96 122.63 4.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -83.87 121.63 27.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.543 HD13 ' HA ' ' A' ' 818' ' ' TYR . 10.1 mm -114.41 142.23 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.143 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -108.84 139.67 43.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.675 HD11 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -88.08 155.53 19.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.966 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.675 ' H ' HD11 ' A' ' 853' ' ' LEU . 95.8 m-85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.412 -0.275 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.42 -25.45 56.11 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.461 2.108 . . . . 0.0 112.186 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.73 -177.18 5.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -90.63 78.28 1.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 761' ' ' SER . . . . . 0.463 ' HG ' HD22 ' A' ' 784' ' ' LEU . 1.4 p -113.43 148.28 36.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.801 0.334 . . . . 0.0 110.976 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.2 mp -124.7 125.86 70.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.72 102.22 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.779 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . 0.579 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -93.21 108.68 20.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.141 -179.655 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.444 ' HB3' HG23 ' A' ' 780' ' ' ILE . 36.9 mtp85 -83.94 128.99 34.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.223 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . 0.486 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 3.2 mt -119.84 95.65 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.832 0.348 . . . . 0.0 111.374 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 767' ' ' SER . . . . . 0.464 ' O ' ' HB2' ' A' ' 853' ' ' LEU . 2.0 p -67.15 134.13 51.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.744 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -141.92 109.71 5.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.785 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -113.81 132.58 55.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -71.17 -63.94 1.01 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -105.98 -78.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.53 -68.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.755 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -168.49 -4.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -68.74 -28.71 67.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 1.3 t -136.38 146.04 46.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.265 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 4.7 m 57.16 -167.91 0.12 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 1.6 t -128.83 -173.82 3.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.027 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 99.1 p -79.8 130.74 35.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -107.81 98.01 7.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.023 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.486 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 10.5 mt -106.77 114.92 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -83.06 156.33 23.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 46.9 p -125.19 113.8 18.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.58 134.51 54.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.032 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . 0.463 HD22 ' HG ' ' A' ' 761' ' ' SER . 5.0 mp -83.5 81.85 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.579 HG23 ' HB2' ' A' ' 764' ' ' PHE . 14.9 t -66.27 140.76 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.275 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.52 146.16 26.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.994 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -69.83 -18.6 63.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.71 -2.4 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 13.7 m0 -82.84 -171.89 3.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.974 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.12 -168.09 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.79 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -70.94 -52.95 16.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.612 ' HB2' ' HE1' ' A' ' 796' ' ' MET . 2.3 p30 -65.14 -39.43 93.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.177 -179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -67.22 -34.21 76.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.066 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -53.3 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.472 HG22 ' N ' ' A' ' 796' ' ' MET . 0.7 OUTLIER -59.73 -26.08 34.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.273 -179.75 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.612 ' HE1' ' HB2' ' A' ' 792' ' ' ASP . 2.3 mtt -71.95 -40.2 68.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.763 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.44 77.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.05 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.465 HD11 ' HA ' ' A' ' 795' ' ' ILE . 22.7 mt -66.03 -49.36 77.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -55.2 -36.61 66.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 1.1 t -68.09 -41.4 81.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -59.9 -29.33 68.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 798' ' ' ILE . 22.7 mt -78.24 -36.23 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 5.3 t -76.33 83.95 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.699 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -164.25 -32.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.175 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 1.5 t -121.69 -48.26 2.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.464 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.43 156.56 36.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.96 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.64 34.12 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.126 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 54.04 62.25 2.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.87 18.01 14.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -135.77 148.88 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.48 151.22 78.23 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.67 -176.74 0.76 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.56 2.173 . . . . 0.0 112.177 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -110.63 135.88 48.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.04 4.16 2.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.766 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.53 ' HG2' ' HH ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -165.08 127.96 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.85 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.404 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 6.3 pt -125.71 143.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 851' ' ' ILE . 6.2 mttt -104.12 116.69 32.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.484 ' HB2' HD21 ' A' ' 849' ' ' LEU . 30.9 p90 -100.61 150.4 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 0.487 ' HB3' HD11 ' A' ' 849' ' ' LEU . 1.4 tt0 -71.59 144.92 49.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 824' ' ' ASP . 0.7 OUTLIER -96.78 -166.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.968 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.44 -46.24 70.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -8.13 58.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.017 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 96.12 30.76 7.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 820' ' ' ASP . 0.3 OUTLIER -105.79 124.14 49.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -67.67 124.62 23.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.763 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 817' ' ' LYS . 0.0 OUTLIER -124.07 153.96 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.629 HG13 ' HH ' ' A' ' 854' ' ' TYR . 6.5 t -71.53 150.34 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.34 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.526 HD11 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -143.68 98.06 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.714 179.791 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -137.68 29.2 2.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.556 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 41.8 m -141.52 160.18 40.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.926 0.393 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -40.33 89.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -66.02 -32.48 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.025 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.526 ' HB3' HD11 ' A' ' 828' ' ' LEU . 0.3 OUTLIER -60.74 -51.37 69.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -61.75 -32.81 73.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -63.05 -54.21 41.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.601 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 26.8 t -60.8 -27.88 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.775 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.8 95.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.771 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -63.35 -37.86 88.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.397 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.402 ' HA ' ' HB2' ' A' ' 842' ' ' ALA . 60.1 mt-10 -68.2 -33.67 74.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.482 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 3.0 ttm -60.25 -53.12 61.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.798 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.6 ' HA ' ' HB2' ' A' ' 846' ' ' GLU . 3.5 mt -74.68 -12.57 60.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . 0.402 ' HB2' ' HA ' ' A' ' 839' ' ' GLU . . . -74.39 -56.36 4.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.529 -179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -77.0 -19.69 56.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.301 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.9 m-80 -92.97 2.0 57.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.076 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.24 16.56 4.04 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.6 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 1.5 mm-40 -74.04 130.13 39.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.24 10.65 21.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.981 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -148.63 170.65 17.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 819' ' ' GLN . 14.7 tp -162.67 141.54 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -96.15 129.7 43.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 5.7 mm -121.32 148.24 24.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -115.01 139.77 49.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.464 ' HB2' ' O ' ' A' ' 767' ' ' SER . 0.2 OUTLIER -89.85 19.98 4.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.037 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.629 ' HH ' HG13 ' A' ' 827' ' ' VAL . 3.1 m-85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.996 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.16 -24.49 16.94 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.588 2.192 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.31 -39.49 25.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 109.46 -84.15 0.35 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.591 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.64 -177.38 0.09 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.922 0.392 . . . . 0.0 111.107 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.3 mt -135.62 132.23 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 130.09 38.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.769 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.39 105.96 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.023 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -81.08 133.4 35.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . 0.481 HD11 ' HB2' ' A' ' 781' ' ' PHE . 3.4 mt -126.44 104.5 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.258 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 9.5 t -76.12 96.04 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -94.21 115.37 27.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.747 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -125.89 117.76 24.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -73.74 -57.19 4.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.73 -58.78 1.87 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 21.9 t -162.96 92.16 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.768 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 57.62 25.24 11.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 5.3 m120 54.38 -163.88 0.11 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 5.8 p -82.94 -14.78 53.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 22.8 t -157.65 88.23 0.98 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 14.5 m 63.67 159.5 0.09 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.273 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.14 156.24 39.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.7 85.82 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.8 mt -83.11 110.95 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.247 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.481 ' HB2' HD11 ' A' ' 766' ' ' ILE . 26.5 m-85 -84.68 148.76 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 76.7 p -117.91 119.76 35.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.981 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.453 HD13 ' HB3' ' A' ' 797' ' ' ALA . 2.5 mt -122.05 124.16 43.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.75 73.93 7.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.346 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 2.1 t -64.25 108.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.379 -179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.0 177.56 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -91.9 -23.29 19.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 20.7 m -80.77 11.69 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -91.99 -173.72 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.971 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -142.28 -167.83 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.419 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -73.14 -53.28 11.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.766 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -61.26 -33.7 73.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.051 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -28.71 63.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.12 -51.95 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 4.0 tp -63.84 -25.21 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.264 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 3.0 ttm -73.25 -37.64 66.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . 0.453 ' HB3' HD13 ' A' ' 783' ' ' LEU . . . -64.27 -49.16 72.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.297 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 7.9 mt -59.29 -45.72 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.366 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -55.39 -42.41 73.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 17.9 m -59.55 -39.41 83.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.717 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -39.02 79.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.719 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 25.2 mt -71.47 -40.12 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 7.0 t -67.27 -19.02 65.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -83.25 -60.55 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.791 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 2.9 t -119.5 136.81 54.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.887 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -164.68 -171.14 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.003 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -129.41 -11.9 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.796 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.08 7.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.05 68.74 0.82 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.987 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.3 pt -62.98 167.2 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.362 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 1.4 p -65.35 146.68 98.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.49 131.17 25.5 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.552 2.168 . . . . 0.0 112.203 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 23.2 mm -98.99 135.33 34.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.094 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.9 29.22 7.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -156.44 116.98 3.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.476 HD12 HG21 ' A' ' 851' ' ' ILE . 21.5 pt -131.92 159.21 43.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.571 ' HE2' ' HH ' ' A' ' 854' ' ' TYR . 5.1 mttm -117.92 126.2 51.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.607 ' HB2' HD21 ' A' ' 849' ' ' LEU . 24.4 p90 -100.28 148.61 24.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 17.1 tt0 -78.09 142.72 37.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.862 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.429 ' HA ' ' HE2' ' A' ' 840' ' ' MET . 1.5 p30 -102.4 -170.81 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -68.87 -21.08 64.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.42 -30.21 37.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 109.73 6.69 28.4 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.549 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -103.56 152.58 21.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -85.09 120.84 27.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.75 152.33 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.831 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 3.9 t -70.47 149.79 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.365 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -137.61 87.12 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.691 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -131.13 34.71 2.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.632 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.91 153.79 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.729 0.299 . . . . 0.0 110.761 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.68 -34.43 77.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.88 -32.85 74.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.28 -51.25 70.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.71 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.441 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 36.4 t-105 -62.18 -30.83 71.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.441 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -65.23 -53.97 36.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.634 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 23.0 t -60.78 -30.4 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.81 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.73 99.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.837 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 6.8 mtmt -64.24 -39.08 93.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.506 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.15 -23.84 61.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.578 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.434 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.1 ttm -67.44 -44.57 78.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.637 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 1.6 mt -81.52 -16.06 52.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.729 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.85 -40.69 65.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.47 19.34 13.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.6 OUTLIER -136.7 -0.42 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.85 25.45 10.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.78 130.69 35.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.06 5.68 22.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.087 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -151.61 170.51 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.607 HD21 ' HB2' ' A' ' 818' ' ' TYR . 12.0 tp -156.98 135.56 11.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -85.12 117.85 24.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.476 HG21 HD12 ' A' ' 816' ' ' ILE . 3.6 mm -118.15 144.14 27.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.246 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -116.99 136.78 52.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.502 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.456 ' HG ' ' H ' ' A' ' 854' ' ' TYR . 17.6 tp -86.46 165.83 15.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.766 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.571 ' HH ' ' HE2' ' A' ' 817' ' ' LYS . 94.3 m-85 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.19 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.52 -90.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.44 2.093 . . . . 0.0 112.288 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.12 -30.31 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.763 0.316 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -100.51 66.08 0.54 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.398 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 33.2 p -96.59 173.58 7.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 0.0 110.949 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 15.3 mt -128.82 136.76 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.612 HD13 ' HB ' ' A' ' 782' ' ' THR . 7.9 tp -94.58 80.68 3.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.592 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . 0.479 ' HB2' HG21 ' A' ' 785' ' ' VAL . 0.4 OUTLIER -69.02 116.21 9.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.218 -179.626 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.404 ' HB3' ' CG2' ' A' ' 780' ' ' ILE . 11.5 mtp85 -94.13 128.49 40.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.402 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . 0.556 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 3.3 mt -117.13 99.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.843 0.354 . . . . 0.0 111.431 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 6.2 t -85.31 113.12 21.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.725 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -134.88 126.73 29.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.27 159.01 15.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.41 3.41 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -116.73 -20.33 9.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 57.26 -170.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 55.5 86.65 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.53 -170.11 0.14 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 6.5 t -85.15 155.08 21.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 1.8 t -161.55 -56.65 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 2.1 m -162.25 79.35 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.67 121.11 25.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -87.79 109.98 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.556 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 3.7 mt -104.91 114.43 44.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.027 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.487 ' HB2' HD11 ' A' ' 766' ' ' ILE . 8.1 m-85 -83.46 172.57 12.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 782' ' ' THR . . . . . 0.612 ' HB ' HD13 ' A' ' 763' ' ' LEU . 67.2 p -135.13 101.46 4.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.888 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.522 HD22 ' HB2' ' A' ' 797' ' ' ALA . 0.2 OUTLIER -97.99 131.32 44.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.126 -179.686 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.2 tp -84.03 68.65 10.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.538 179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 764' ' ' PHE . 2.3 t -66.46 123.34 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.75 171.29 10.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . 0.626 ' HG2' ' HD2' ' A' ' 838' ' ' LYS . 60.3 mttt -87.04 -15.5 38.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . 0.404 ' H ' HG22 ' A' ' 788' ' ' VAL . 17.3 m -90.4 24.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -106.69 -173.7 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -134.7 178.3 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.748 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -64.9 -48.03 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -66.41 -45.36 80.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -25.65 68.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.683 HD21 HD12 ' A' ' 798' ' ' ILE . 1.6 tt -71.34 -53.45 14.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.476 HG21 ' N ' ' A' ' 796' ' ' MET . 0.6 OUTLIER -62.18 -28.45 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.36 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.476 ' N ' HG21 ' A' ' 795' ' ' ILE . 1.4 mtm -68.92 -41.37 78.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . 0.522 ' HB2' HD22 ' A' ' 783' ' ' LEU . . . -64.1 -39.26 93.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.683 HD12 HD21 ' A' ' 794' ' ' LEU . 11.8 mt -61.53 -39.57 83.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -47.94 83.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.687 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 60.0 m -67.2 -20.67 65.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.422 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 798' ' ' ILE . 13.7 tppt? -73.57 -31.51 63.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.645 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.538 HD12 HD13 ' A' ' 813' ' ' ILE . 11.6 mt -78.97 -32.35 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.032 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 16.6 t -81.26 172.42 13.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.794 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.85 24.08 12.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 805' ' ' THR . . . . . 0.503 HG22 ' N ' ' A' ' 806' ' ' HIS . 5.0 t -165.48 -38.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.503 ' N ' HG22 ' A' ' 805' ' ' THR . 0.2 OUTLIER -122.44 177.2 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.726 179.77 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.17 145.72 51.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -99.88 9.82 42.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -86.74 -6.18 58.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.032 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.1 pt -75.49 160.56 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.328 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 35.2 t -65.13 144.82 99.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.804 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.7 -179.5 2.06 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.507 2.138 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.538 HD13 HD12 ' A' ' 802' ' ' ILE . 0.2 OUTLIER -123.48 132.98 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.193 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 1.2 m -133.6 -24.51 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.826 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -136.54 141.34 43.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.77 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 1.4 pt -139.61 142.13 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.241 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.522 ' O ' ' HA ' ' A' ' 851' ' ' ILE . 52.1 mttt -99.88 123.34 44.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.522 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.509 ' HA ' HD12 ' A' ' 851' ' ' ILE . 35.5 p90 -107.37 147.15 30.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.944 0.402 . . . . 0.0 111.123 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -71.39 126.86 30.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -89.43 177.46 6.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -30.27 70.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.48 -12.54 60.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 89.32 24.59 30.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.425 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.18 139.02 54.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 111.013 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -68.73 127.25 32.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.588 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.95 149.66 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 12.2 t -73.84 144.06 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.303 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' A' ' 833' ' ' ASP . 0.5 OUTLIER -137.27 101.47 4.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.722 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -137.89 34.65 2.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.538 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.8 161.17 42.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -43.66 85.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.709 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . 0.446 ' O ' HG21 ' A' ' 836' ' ' VAL . 1.0 OUTLIER -62.69 -35.2 78.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.74 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.465 ' HB3' HD13 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -59.53 -35.37 74.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.449 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -72.93 -35.75 67.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.437 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -63.39 -41.61 98.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.545 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . 0.446 HG21 ' O ' ' A' ' 832' ' ' GLU . 43.5 t -65.82 -36.3 77.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.727 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.26 87.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.802 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.626 ' HD2' ' HG2' ' A' ' 787' ' ' LYS . 26.3 mtmt -67.56 -42.43 82.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.457 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.72 -18.56 63.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.471 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.8 ttm -74.55 -45.12 47.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.582 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 6.5 mt -81.36 -15.33 55.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.561 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.04 -55.61 11.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -73.32 -36.73 66.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -73.98 -4.5 35.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 56.05 26.26 9.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.722 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.53 178.84 2.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.039 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -155.11 12.39 0.36 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -160.72 179.05 8.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.426 HD22 ' HB2' ' A' ' 818' ' ' TYR . 9.9 tp -166.05 155.29 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -107.49 135.04 49.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.717 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.522 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 22.2 mm -122.91 138.61 52.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.386 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 852' ' ' ARG . 0.9 OUTLIER -112.94 138.75 49.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.509 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.659 HD12 ' H ' ' A' ' 854' ' ' TYR . 0.3 OUTLIER -78.6 158.49 28.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.038 -179.901 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.659 ' H ' HD12 ' A' ' 853' ' ' LEU . 2.5 m-85 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.888 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.59 -58.08 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.527 2.151 . . . . 0.0 112.368 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.88 176.79 8.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.737 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -86.43 53.93 4.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.663 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 4.1 m -69.26 169.34 12.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.824 0.345 . . . . 0.0 110.74 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.6 132.49 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.431 HD12 ' HB ' ' A' ' 782' ' ' THR . 0.7 OUTLIER -79.16 112.41 16.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.886 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' A' ' 782' ' ' THR . 0.1 OUTLIER -96.67 127.67 42.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.979 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -102.13 125.53 48.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.593 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 781' ' ' PHE . 1.0 OUTLIER -122.02 98.32 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.801 0.334 . . . . 0.0 111.317 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.87 91.78 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . 0.427 ' OH ' HG22 ' A' ' 810' ' ' ILE . 78.0 t80 -76.58 135.14 39.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.62 122.71 26.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -70.27 -64.33 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.768 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -102.66 -77.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 5.5 t -166.14 79.0 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -102.9 170.25 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -81.0 -172.45 3.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 2.5 t -78.38 -18.07 55.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 4.8 p -108.88 17.89 21.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.977 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 3.2 m -140.58 27.93 2.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.66 -176.13 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -115.61 89.61 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.767 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.519 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 13.4 mt -82.02 127.23 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.339 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.706 ' HB2' HD11 ' A' ' 766' ' ' ILE . 9.1 m-85 -103.98 142.88 33.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.618 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 782' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 764' ' ' PHE . 62.1 p -119.77 110.18 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.407 HD21 HD13 ' A' ' 766' ' ' ILE . 0.8 OUTLIER -119.95 154.76 33.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.013 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 1.9 mp -85.56 102.06 13.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.023 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.433 HG22 ' HB2' ' A' ' 764' ' ' PHE . 6.4 t -88.6 117.66 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -68.97 165.63 19.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -92.82 -21.31 19.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.793 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 28.0 m -83.3 2.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 21.2 m0 -78.25 -165.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.121 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -146.03 -164.59 2.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.435 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -76.06 -48.08 22.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 110.646 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 795' ' ' ILE . 9.4 t70 -66.13 -41.21 90.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -28.02 67.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.695 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 2.4 tt -70.62 -53.66 15.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.684 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 792' ' ' ASP . 0.5 OUTLIER -61.97 -25.46 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.01 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -37.55 63.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.37 97.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.418 HG21 HG12 ' A' ' 766' ' ' ILE . 5.3 mt -68.51 -34.27 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.755 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -53.23 58.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.745 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -24.92 67.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.625 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -59.67 4.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.562 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.454 HG12 ' HE2' ' A' ' 781' ' ' PHE . 46.5 mt -58.92 -30.73 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.976 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 48.4 t -71.75 -29.95 65.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.1 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -38.49 80.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.78 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 805' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 802' ' ' ILE . 9.8 t -94.99 177.29 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.429 ' HB3' ' H ' ' A' ' 807' ' ' ASN . 2.2 m-70 59.66 -163.61 0.23 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.85 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . 0.429 ' H ' ' HB3' ' A' ' 806' ' ' HIS . 0.1 OUTLIER -149.28 18.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.008 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.81 139.57 53.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -79.78 79.57 6.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.688 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.427 HG22 ' OH ' ' A' ' 768' ' ' TYR . 1.1 pt -62.51 168.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.98 136.12 94.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.13 175.83 4.44 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.497 2.132 . . . . 0.0 112.12 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.805 HG12 HD11 ' A' ' 853' ' ' LEU . 1.8 mp -112.8 145.9 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.256 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.25 9.16 1.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.788 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.426 ' HZ2' HG13 ' A' ' 827' ' ' VAL . 16.9 tttp -163.13 123.54 2.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.728 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.475 HD13 HD21 ' A' ' 828' ' ' LEU . 4.4 pt -138.63 137.13 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.098 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.454 ' HB2' ' HE1' ' A' ' 854' ' ' TYR . 0.6 OUTLIER -101.59 119.83 39.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.005 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.605 ' HB2' HD21 ' A' ' 849' ' ' LEU . 22.2 p90 -103.68 146.94 27.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.021 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -77.59 139.79 39.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.568 ' HA ' ' HE1' ' A' ' 840' ' ' MET . 10.6 p-10 -102.29 -168.66 1.56 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.02 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -19.71 63.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . 0.449 ' HB3' ' OD2' ' A' ' 824' ' ' ASP . 0.1 OUTLIER -88.57 -3.86 58.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.008 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 83.09 -7.34 67.36 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.569 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . 0.449 ' OD2' ' HB3' ' A' ' 822' ' ' ASP . 0.2 OUTLIER -86.75 136.9 32.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -73.53 125.17 27.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.86 157.53 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.007 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.426 HG13 ' HZ2' ' A' ' 815' ' ' LYS . 2.7 t -76.79 155.28 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' A' ' 833' ' ' ASP . 7.5 tp -141.6 107.72 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -157.13 43.18 0.52 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.635 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 1.1 m -160.28 154.03 22.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.764 0.316 . . . . 0.0 110.971 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -35.43 80.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . 0.451 ' O ' HG22 ' A' ' 836' ' ' VAL . 0.0 OUTLIER -70.49 -38.29 74.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.795 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.53 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -57.24 -39.82 76.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.837 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -69.69 -37.38 76.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -60.53 -42.92 97.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.676 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 832' ' ' GLU . 21.8 t -68.81 -30.37 46.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.796 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.408 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -62.41 -42.73 99.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.783 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -64.53 -43.6 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.547 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.444 ' OE1' ' HA ' ' A' ' 836' ' ' VAL . 33.7 mt-10 -64.06 -27.91 69.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.595 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.568 ' HE1' ' HA ' ' A' ' 820' ' ' ASP . 1.3 ttm -66.78 -42.74 85.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.683 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.511 ' HA ' ' HB2' ' A' ' 846' ' ' GLU . 2.9 mt -83.43 -16.62 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.725 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.96 -36.39 41.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.227 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -93.31 -1.76 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -123.84 0.05 8.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 6.8 m120 56.87 22.45 7.09 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.511 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 3.2 mt-10 -68.39 127.01 31.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.016 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -110.89 15.18 21.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.407 ' HA ' ' O ' ' A' ' 763' ' ' LEU . 21.5 p90 -154.79 156.82 36.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.605 HD21 ' HB2' ' A' ' 818' ' ' TYR . 9.0 tp -148.43 124.8 10.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -83.24 117.03 22.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . . . . . . . . . 2.6 mm -117.02 141.85 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.234 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.65 134.47 54.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.395 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.805 HD11 HG12 ' A' ' 813' ' ' ILE . 16.6 tp -84.83 163.84 18.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 111.069 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.454 ' HE1' ' HB2' ' A' ' 817' ' ' LYS . 89.7 m-85 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.151 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.83 -4.23 13.65 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.611 2.207 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.09 165.84 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -81.72 89.96 1.43 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.51 143.95 32.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.756 0.312 . . . . 0.0 110.878 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 7.2 mt -113.95 123.63 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 2.4 tt -71.03 122.32 19.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.767 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . 0.443 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -114.0 109.36 18.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.534 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 64.2 mtt180 -86.25 129.86 34.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.638 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . 0.631 HD12 HG22 ' A' ' 798' ' ' ILE . 2.0 mp -125.02 106.07 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.307 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 10.0 p -71.45 98.52 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . 0.618 ' HH ' HG12 ' A' ' 810' ' ' ILE . 88.7 t80 -84.2 130.48 34.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -127.66 148.94 50.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.82 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -71.49 -58.21 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -106.68 -65.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 6.7 t -166.53 -65.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -161.21 23.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -64.07 -37.99 89.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 14.7 t -129.46 176.43 7.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 80.2 p -100.28 -161.42 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 17.8 t 58.42 88.49 0.06 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.49 170.95 8.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.791 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . 0.609 ' HB2' ' HB3' ' A' ' 768' ' ' TYR . 3.7 mm-40 -112.49 83.4 1.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 30.2 mt -75.92 115.75 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.021 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.534 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 30.7 m-85 -88.58 153.05 21.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.043 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 33.5 p -124.29 83.46 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.556 ' HB2' ' HE3' ' A' ' 801' ' ' LYS . 6.5 tp -97.78 116.0 29.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.7 mp -74.36 84.01 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.76 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.443 HG23 ' HB2' ' A' ' 764' ' ' PHE . 2.8 t -72.11 115.48 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.004 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.66 166.15 17.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -83.35 -26.63 30.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 18.2 m -74.97 3.7 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -87.88 -170.89 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.107 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -138.83 -168.1 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.511 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -74.08 -56.25 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.818 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -59.44 -38.68 81.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.52 -30.66 71.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.783 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.8 -57.55 5.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.793 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 796' ' ' MET . 0.4 OUTLIER -59.88 -20.55 19.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.415 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.433 ' N ' HG23 ' A' ' 795' ' ' ILE . 4.6 ttm -72.48 -48.69 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.101 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.85 84.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.41 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.631 HG22 HD12 ' A' ' 766' ' ' ILE . 11.1 mt -57.96 -48.52 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.289 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -59.85 -29.89 68.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.42 -27.89 60.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.556 ' HE3' ' HB2' ' A' ' 783' ' ' LEU . 0.2 OUTLIER -74.74 -27.46 60.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.041 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 813' ' ' ILE . 9.6 mt -82.9 -37.88 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.431 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 90.4 p -84.99 32.24 0.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.55 5.16 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.65 -39.88 0.71 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.376 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -107.02 149.84 27.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.982 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -107.1 -15.33 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.765 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -78.21 130.47 36.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.639 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -87.62 83.93 7.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.065 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.618 HG12 ' HH ' ' A' ' 768' ' ' TYR . 1.0 OUTLIER -81.63 -171.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.041 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.44 114.92 13.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.22 171.75 0.51 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.675 2.25 . . . . 0.0 112.546 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.467 HD11 HD11 ' A' ' 802' ' ' ILE . 1.3 mp -84.55 -91.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.282 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.42 10.91 2.01 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.492 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.32 130.7 0.37 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.97 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.459 ' HB ' HG22 ' A' ' 851' ' ' ILE . 6.8 pt -146.49 144.06 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.975 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.548 ' HG2' ' HA ' ' A' ' 827' ' ' VAL . 10.0 mttt -108.19 122.51 47.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.429 ' CE1' HD11 ' A' ' 828' ' ' LEU . 30.9 p90 -100.21 143.3 30.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.058 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -68.52 123.28 20.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.473 ' HB2' HG21 ' A' ' 826' ' ' VAL . 4.7 t0 -85.58 -169.93 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.967 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.76 -33.09 66.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -78.31 2.72 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.2 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 79.41 1.3 85.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.44 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -95.42 128.68 42.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.8 0.333 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.499 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 82.8 m-85 -67.6 126.27 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.619 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.473 HG21 ' HB2' ' A' ' 820' ' ' ASP . 0.0 OUTLIER -114.36 149.64 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -179.726 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.548 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 8.9 t -70.91 146.98 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.412 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.509 HD13 ' HB3' ' A' ' 833' ' ' ASP . 0.7 OUTLIER -134.28 95.25 3.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.685 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.76 31.23 2.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.546 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.97 156.92 42.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -43.6 98.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.41 -34.97 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.509 ' HB3' HD13 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -60.8 -37.99 83.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.427 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -71.37 -32.55 68.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.368 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -63.59 -44.16 94.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.779 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 46.2 t -69.61 -30.66 45.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -62.71 -44.9 95.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.8 -48.07 72.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.646 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.417 ' HA ' ' HB1' ' A' ' 842' ' ' ALA . 0.4 OUTLIER -62.61 -26.41 68.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.544 179.822 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.7 ttm -63.07 -59.93 4.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.752 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 4.5 mt -67.0 -12.79 60.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.59 179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . 0.417 ' HB1' ' HA ' ' A' ' 839' ' ' GLU . . . -72.41 -46.31 55.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.127 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -82.58 -13.95 55.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -103.61 -4.32 24.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.991 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 11.1 m120 54.8 32.02 16.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.616 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.54 176.05 5.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.076 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.06 2.54 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.173 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -153.29 169.24 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . . . . . . . . . 10.9 tp -154.92 136.02 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -90.43 113.95 25.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.459 HG22 ' HB ' ' A' ' 816' ' ' ILE . 3.1 mm -114.26 134.43 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.174 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -106.13 137.91 43.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.526 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 854' ' ' TYR . 20.5 tp -86.34 164.47 17.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.815 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.465 ' N ' ' HG ' ' A' ' 853' ' ' LEU . 88.7 m-85 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.005 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.59 -0.204 . . . . 0.0 112.59 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.57 -18.95 48.85 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.592 2.195 . . . . 0.0 112.299 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 5.9 mp -74.48 88.87 2.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 78.58 78.31 0.83 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.409 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.87 178.04 7.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.92 143.33 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.19 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.98 104.51 16.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.744 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . 0.484 ' HB2' HG21 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -95.33 117.41 30.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -93.74 126.13 38.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.544 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . 0.616 HD11 HG21 ' A' ' 798' ' ' ILE . 6.0 mt -120.02 97.66 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.331 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.15 104.14 7.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . 0.439 ' OH ' ' HB3' ' A' ' 811' ' ' SER . 0.2 OUTLIER -110.39 115.95 30.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.687 179.707 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.05 37.06 3.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 64.2 t30 57.16 -91.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.222 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -94.11 -76.83 0.47 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.923 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 2.2 t -164.45 89.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 1.2 m120 55.3 78.73 0.17 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -97.34 -166.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.791 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 3.9 t -67.78 -17.58 64.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.218 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.65 178.15 7.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 34.2 t -98.05 162.64 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.57 107.37 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.767 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.65 82.83 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.486 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 12.8 mt -79.62 108.26 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.413 ' HB2' HD13 ' A' ' 766' ' ' ILE . 40.8 m-85 -82.85 134.61 35.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 78.3 p -109.15 85.96 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.059 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.511 ' HB2' ' HE3' ' A' ' 801' ' ' LYS . 6.5 tp -98.05 122.92 41.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.09 83.13 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.753 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.484 HG21 ' HB2' ' A' ' 764' ' ' PHE . 12.8 t -68.61 117.27 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -67.99 152.29 45.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.759 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.93 -13.92 59.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 26.6 m -94.11 18.58 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 15.2 m0 -98.83 177.71 5.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.89 -179.4 4.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.686 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -61.38 -57.23 13.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -41.69 93.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.039 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.72 -23.02 66.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.13 -51.08 12.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.956 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 796' ' ' MET . 0.5 OUTLIER -66.37 -27.68 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.217 -179.747 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.429 ' N ' HG22 ' A' ' 795' ' ' ILE . 3.9 mtm -72.1 -39.62 68.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.07 97.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.616 HG21 HD11 ' A' ' 766' ' ' ILE . 27.2 mt -59.96 -53.02 54.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.214 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -59.66 -29.32 67.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.769 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.89 -29.62 64.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.625 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.511 ' HE3' ' HB2' ' A' ' 783' ' ' LEU . 0.4 OUTLIER -70.49 -37.11 74.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.065 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 18.1 mt -71.99 -46.86 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.262 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -11.64 57.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.185 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -82.47 1.4 37.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -156.16 -65.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.21 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.48 -171.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -95.25 -168.67 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.7 29.25 7.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -92.3 2.81 56.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.2 pt -96.14 -170.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.439 ' HB3' ' OH ' ' A' ' 768' ' ' TYR . 12.4 t -75.73 135.61 71.24 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.05 0.36 8.49 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.586 2.19 . . . . 0.0 112.396 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.717 HG12 HD21 ' A' ' 853' ' ' LEU . 2.0 mp 60.05 98.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.194 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.54 -14.88 16.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.25 147.24 17.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.99 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.45 ' HB ' HG23 ' A' ' 851' ' ' ILE . 5.6 pt -141.62 141.27 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -100.62 123.86 45.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.148 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.607 ' HB2' HD23 ' A' ' 849' ' ' LEU . 34.8 p90 -102.54 148.01 26.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -73.8 128.01 34.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.759 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.37 -168.63 1.18 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.747 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -0.28 49.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -117.96 9.2 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 78.24 10.77 85.96 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.461 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.52 117.61 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 110.966 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -61.73 132.93 54.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.03 152.38 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 7.0 t -70.63 145.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.271 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.457 ' HB2' ' HD1' ' A' ' 818' ' ' TYR . 4.0 tp -132.49 96.09 3.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.749 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -141.12 19.05 2.69 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.557 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 830' ' ' SER . . . . . 0.404 ' HB2' ' OD1' ' A' ' 833' ' ' ASP . 14.7 m -134.63 153.44 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.336 . . . . 0.0 110.803 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.58 -42.63 91.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -30.91 71.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.404 ' OD1' ' HB2' ' A' ' 830' ' ' SER . 0.9 OUTLIER -63.43 -45.02 92.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.819 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.416 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 34.2 t-105 -65.0 -35.74 82.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.708 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.493 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 2.2 m-80 -61.81 -52.86 62.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.41 -34.78 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.0 83.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.493 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 3.4 mtmt -65.03 -45.49 85.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.706 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.16 -23.55 66.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.724 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.455 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 3.0 ttm -69.08 -55.07 11.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.712 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 2.8 mt -75.44 -9.34 58.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.051 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.36 -49.62 13.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.281 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.65 1.49 49.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.13 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.455 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.5 OUTLIER -117.89 -7.61 10.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.086 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 7.3 m120 54.96 29.29 11.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.739 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -52.24 65.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.122 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.34 17.05 7.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.367 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -165.46 161.12 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.683 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 818' ' ' TYR . 9.7 tp -161.24 140.44 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.39 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.12 120.43 31.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.708 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.45 HG23 ' HB ' ' A' ' 816' ' ' ILE . 4.2 mm -116.97 142.69 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.34 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -108.79 135.22 50.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.757 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.717 HD21 HG12 ' A' ' 813' ' ' ILE . 0.2 OUTLIER -89.26 140.65 29.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.074 -179.82 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -68.99 -47.55 1.13 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.514 2.143 . . . . 0.0 112.179 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.42 -65.47 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 161.6 90.84 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.593 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.47 151.86 44.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . 0.749 HG21 HD13 ' A' ' 841' ' ' LEU . 2.0 mp -122.11 131.92 72.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.77 106.85 8.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.808 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.93 126.6 37.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 3.7 mtt85 -102.37 133.35 47.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.627 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . 0.502 HD13 ' HB2' ' A' ' 781' ' ' PHE . 4.2 mt -124.17 97.31 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 111.239 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 32.6 p -78.22 79.9 4.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -69.23 134.14 48.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.709 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -129.68 172.74 11.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.745 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -120.86 -53.91 2.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.037 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -150.26 43.1 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.75 27.29 12.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.039 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -157.16 -40.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 60.86 175.23 0.1 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.166 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 7.0 t -102.02 -11.2 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.73 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 5.1 t -158.75 59.7 0.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.729 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.09 174.52 0.13 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.107 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.13 162.14 21.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -126.56 113.08 16.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.483 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.2 mt -103.97 122.04 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.01 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.688 ' HB3' ' HD2' ' A' ' 801' ' ' LYS . 19.6 m-85 -85.57 159.33 19.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 66.6 p -138.66 94.5 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.619 ' HB3' ' HE3' ' A' ' 801' ' ' LYS . 0.3 OUTLIER -117.81 151.45 37.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 -179.754 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.0 mp -86.76 123.94 32.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.652 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 3.1 t -108.13 118.52 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -71.6 163.73 27.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -85.83 -23.74 27.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 16.4 m -79.21 7.64 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -82.85 -166.19 1.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.158 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -148.6 -171.74 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.536 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -70.5 -47.34 60.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.816 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.434 ' O ' HG21 ' A' ' 795' ' ' ILE . 3.7 t0 -67.65 -41.06 84.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -65.71 -30.76 71.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.939 0.4 . . . . 0.0 110.615 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -55.64 10.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.836 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.474 ' HA ' HD11 ' A' ' 798' ' ' ILE . 1.5 tp -60.21 -23.21 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -51.75 49.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.656 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -59.03 -36.17 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.688 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.474 HD11 ' HA ' ' A' ' 795' ' ' ILE . 25.1 mt -66.44 -38.84 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.915 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -45.19 95.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.793 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 2.2 t -62.16 -31.19 71.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.781 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.688 ' HD2' ' HB3' ' A' ' 781' ' ' PHE . 4.7 mmtt -66.37 -36.96 84.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 798' ' ' ILE . 10.6 mt -73.07 -27.93 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 10.3 t -95.35 25.72 4.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -115.36 -47.99 2.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.773 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 4.8 t -82.99 -33.46 26.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.29 119.75 37.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.801 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -65.13 -14.96 61.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -94.27 177.37 5.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -123.03 98.58 5.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 2.8 pt -73.78 175.14 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.84 142.24 97.31 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.958 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.94 124.97 16.43 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.65 2.233 . . . . 0.0 112.334 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.456 HD11 HG23 ' A' ' 813' ' ' ILE . 26.6 mm -97.38 128.89 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.977 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.49 21.58 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.35 108.8 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 5.9 pt -128.53 153.05 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.019 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.462 ' HB2' ' HE1' ' A' ' 854' ' ' TYR . 13.2 mttp -111.6 119.8 39.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.21 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.625 ' HA ' HD12 ' A' ' 851' ' ' ILE . 31.8 p90 -97.02 144.7 26.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -76.75 109.19 10.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.04 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.616 ' HA ' ' HE3' ' A' ' 840' ' ' MET . 5.8 t70 -69.12 171.57 8.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.765 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . 0.476 ' HB3' ' HG2' ' A' ' 840' ' ' MET . 2.0 pt-20 -67.43 -12.65 60.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.978 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -85.15 0.92 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 73.96 28.69 64.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.348 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.34 134.45 41.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -69.18 126.34 29.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.558 HG22 ' HB2' ' A' ' 820' ' ' ASP . 0.0 OUTLIER -119.85 152.82 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 2.7 t -72.28 142.97 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 818' ' ' TYR . 0.4 OUTLIER -137.72 95.04 2.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -135.57 17.06 4.01 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.479 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 14.2 m -130.1 166.94 19.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.763 0.316 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -70.23 -47.08 62.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.39 -28.18 69.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.747 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.66 -38.88 92.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.614 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -72.4 -34.29 67.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.608 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -62.83 -48.44 79.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.652 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.11 -33.36 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.857 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.63 -42.59 88.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.783 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -63.97 -42.69 97.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.558 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.06 -29.66 70.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.492 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.616 ' HE3' ' HA ' ' A' ' 820' ' ' ASP . 2.6 tmm? -64.09 -43.78 94.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.422 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.749 HD13 HG21 ' A' ' 762' ' ' ILE . 6.4 mt -74.47 -20.9 59.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.505 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -71.02 160.29 33.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.829 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 62.07 9.43 3.1 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.014 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -140.29 -3.13 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 56.47 26.97 11.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.438 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 23.9 mt-10 -67.81 98.95 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.633 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.27 29.01 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.038 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -159.79 160.61 34.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.53 HD12 ' HE2' ' A' ' 840' ' ' MET . 13.9 tp -157.88 146.6 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -104.15 118.41 36.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.625 HD12 ' HA ' ' A' ' 818' ' ' TYR . 3.2 mm -118.2 138.46 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.085 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.404 ' HB3' ' CE1' ' A' ' 854' ' ' TYR . 0.1 OUTLIER -104.57 139.55 39.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.651 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.37 144.4 25.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.462 ' HE1' ' HB2' ' A' ' 817' ' ' LYS . 87.0 m-85 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.158 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . 0.417 ' O ' HD23 ' A' ' 784' ' ' LEU . 41.7 Cg_endo -67.21 -54.95 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.636 2.224 . . . . 0.0 112.282 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 58.17 -167.41 0.14 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -86.77 53.53 4.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.428 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 31.2 m -114.84 -173.55 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.708 0.289 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . 0.524 HG21 HD13 ' A' ' 841' ' ' LEU . 10.6 mt -132.01 126.72 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.43 119.76 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.591 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . 0.559 ' HB2' HG21 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -107.44 110.46 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 765' ' ' ARG . 23.3 mtt-85 -90.87 125.23 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.554 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . 0.604 HD11 HG22 ' A' ' 798' ' ' ILE . 3.0 mt -120.96 95.06 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.268 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.89 96.06 2.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.704 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . 0.473 ' OH ' ' HB ' ' A' ' 810' ' ' ILE . 29.8 t80 -80.97 116.78 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -128.37 -26.87 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.471 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 9.4 t30 56.92 17.27 3.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.312 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -171.69 -164.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.79 98.4 2.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.744 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.68 56.78 4.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -134.17 -24.02 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.26 -177.16 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 3.1 m -112.32 90.01 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.754 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.8 125.38 3.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.957 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.01 102.31 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -111.97 93.39 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.021 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.448 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 30.4 mt -79.96 104.43 8.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -82.92 140.11 33.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.996 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 75.8 p -111.99 103.92 12.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.971 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.551 ' HG ' ' HE3' ' A' ' 801' ' ' LYS . 1.0 OUTLIER -111.9 125.67 54.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . 0.417 HD23 ' O ' ' A' ' 758' ' ' PRO . 0.3 OUTLIER -78.73 78.8 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.634 179.749 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.559 HG21 ' HB2' ' A' ' 764' ' ' PHE . 3.6 t -67.81 115.05 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.229 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.75 169.08 18.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -87.43 -12.49 45.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 16.9 m -87.65 -3.06 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 14.8 m0 -81.37 -177.96 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.055 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -131.16 -165.71 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.733 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -75.05 -56.89 4.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.014 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.7 -37.86 85.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.991 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -31.24 72.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 1.1 tt -71.01 -56.12 6.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.94 -29.39 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.363 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 14.5 ttm -76.97 -30.98 56.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.15 79.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.037 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.604 HG22 HD11 ' A' ' 766' ' ' ILE . 6.5 mt -72.21 -53.06 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.2 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . 0.429 HD21 HD13 ' A' ' 813' ' ' ILE . 3.3 t-20 -53.71 -43.68 69.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 15.6 t -66.92 -34.71 78.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.709 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.551 ' HE3' ' HG ' ' A' ' 783' ' ' LEU . 0.0 OUTLIER -63.13 -28.69 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.801 179.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 798' ' ' ILE . 22.6 mt -80.79 -31.89 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.148 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 31.4 t -80.66 7.92 9.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -66.18 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.808 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 5.2 t -86.24 -16.33 38.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.84 -170.44 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -97.04 165.84 11.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.948 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -96.92 33.84 1.82 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -99.03 18.32 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.473 ' HB ' ' OH ' ' A' ' 768' ' ' TYR . 1.1 pt -110.08 -168.66 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.256 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 2.8 m -64.53 117.5 38.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.018 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -65.27 -3.04 6.72 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.429 HD13 HD21 ' A' ' 799' ' ' ASN . 3.3 mt 63.05 107.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.288 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.54 -10.03 10.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -157.75 137.74 12.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 22.1 pt -141.59 148.53 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.422 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 11.8 mttt -114.04 131.29 56.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.009 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.545 ' HB2' HD22 ' A' ' 849' ' ' LEU . 35.5 p90 -107.36 152.19 24.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.093 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -72.7 122.82 22.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -82.85 -165.84 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.87 -37.61 73.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.32 -2.49 35.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 87.04 -4.19 86.49 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.44 136.57 33.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.748 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.422 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 59.5 m-85 -71.02 124.05 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.806 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.38 157.78 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.47 149.38 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.231 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . . . . . . . . . 3.8 tp -139.13 88.38 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.721 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -137.24 47.24 0.96 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.558 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 24.5 p -165.95 157.74 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -64.03 -41.5 97.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . 0.402 ' O ' HG21 ' A' ' 836' ' ' VAL . 1.8 tp10 -63.84 -34.88 78.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.69 -38.74 82.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.739 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.451 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 30.1 t-105 -70.42 -34.85 72.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.503 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.501 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 35.6 m-20 -62.55 -47.95 81.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.795 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . 0.402 HG21 ' O ' ' A' ' 832' ' ' GLU . 19.6 t -65.07 -28.94 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.955 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -62.8 -50.83 69.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.986 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.501 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 2.0 mtmp? -63.4 -47.18 83.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.717 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -26.48 67.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.627 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 42.5 ttp -66.08 -49.07 68.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.6 179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.524 HD13 HG21 ' A' ' 762' ' ' ILE . 3.9 mt -71.25 -14.47 62.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.554 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.69 -50.1 14.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.358 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -78.09 -10.14 59.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.31 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -107.69 2.18 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.064 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 56.61 22.67 6.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.464 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 10.1 mm-40 -67.71 -174.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.032 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.64 -29.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -130.67 -172.54 2.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.545 HD22 ' HB2' ' A' ' 818' ' ' TYR . 11.9 tp -164.1 148.78 10.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.794 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -98.21 128.11 44.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.953 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.473 HD12 HG21 ' A' ' 851' ' ' ILE . 4.1 mm -125.63 137.26 58.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.195 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.47 141.53 47.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.56 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.489 ' HG ' ' N ' ' A' ' 854' ' ' TYR . 19.9 tp -88.57 163.75 15.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.489 ' N ' ' HG ' ' A' ' 853' ' ' LEU . 89.9 m-85 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.096 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.42 -12.47 27.31 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.591 2.194 . . . . 0.0 112.431 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -24.7 65.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -166.87 -129.22 1.04 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.635 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 1.2 m 65.36 158.34 0.1 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.918 0.39 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 12.7 mt -134.17 137.97 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.212 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.48 131.11 34.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.513 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . 0.479 ' HB2' HG21 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -118.95 96.94 5.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.315 -179.829 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.487 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 26.3 mtt180 -78.9 132.47 36.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.357 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 4.4 mt -119.64 106.55 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 111.434 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 767' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 779' ' ' GLU . 7.7 t -87.23 83.22 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.846 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -74.37 135.36 42.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.8 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -111.88 174.25 5.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -111.74 -52.16 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.699 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -131.11 32.09 4.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.657 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 7.7 t 57.08 73.19 0.47 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.4 163.36 13.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -85.36 -62.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.784 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.91 102.55 3.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.46 -59.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 2.1 p -153.78 99.67 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.39 151.34 47.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 767' ' ' SER . 13.1 mt-10 -112.13 146.92 37.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 19.8 mt -130.22 111.95 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 7.1 m-85 -88.38 167.98 13.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.793 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 71.4 p -134.01 104.88 6.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.058 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 13.6 tp -109.65 129.09 55.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.79 83.37 8.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.624 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.479 HG21 ' HB2' ' A' ' 764' ' ' PHE . 2.6 t -74.86 127.3 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.203 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.12 167.28 19.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -86.79 -21.74 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 27.2 m -86.17 22.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.964 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -98.52 -170.84 2.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.204 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -132.72 -162.62 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.554 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -85.79 -48.4 8.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.472 ' O ' HG22 ' A' ' 795' ' ' ILE . 7.7 p-10 -66.77 -35.33 79.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -69.87 -26.67 64.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.448 HD12 HG13 ' A' ' 785' ' ' VAL . 0.5 OUTLIER -72.76 -48.47 38.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.948 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 792' ' ' ASP . 0.6 OUTLIER -67.22 -24.13 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.207 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -47.99 56.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.05 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.12 96.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.248 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 35.3 mt -58.0 -45.12 88.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -58.67 -35.57 72.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.688 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 7.9 t -66.18 -35.87 81.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.462 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -34.08 77.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.505 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.52 HG21 HG12 ' A' ' 810' ' ' ILE . 17.5 mt -79.75 -32.75 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.348 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 803' ' ' SER . . . . . 0.478 ' HG ' ' HB3' ' A' ' 809' ' ' ASN . 2.1 t -78.26 5.7 9.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -88.18 -25.77 22.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.673 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 8.1 t -154.22 170.4 21.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 1.1 t60 60.57 97.06 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.033 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.94 -167.08 0.16 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -79.99 -79.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.031 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . 0.478 ' HB3' ' HG ' ' A' ' 803' ' ' SER . 0.2 OUTLIER -151.67 123.76 8.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.52 HG12 HG21 ' A' ' 802' ' ' ILE . 1.1 pt -82.82 -163.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.69 142.51 71.19 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.688 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.33 -12.51 36.1 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.527 2.151 . . . . 0.0 112.506 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.572 HG12 HD13 ' A' ' 853' ' ' LEU . 2.2 mt 65.38 125.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 25.2 p -107.89 -25.52 11.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.526 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.81 140.91 33.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 111.278 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.415 HD11 HD22 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -131.58 143.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.85 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.53 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 8.2 mttt -93.17 107.78 19.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.159 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.549 ' HB2' HD21 ' A' ' 849' ' ' LEU . 30.6 p90 -97.17 136.61 37.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 0.41 ' HB3' HD11 ' A' ' 849' ' ' LEU . 34.6 tt0 -62.19 127.44 31.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.601 ' HA ' ' HE2' ' A' ' 840' ' ' MET . 1.8 t0 -84.43 -174.92 5.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.57 -23.46 63.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.988 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.48 -9.52 44.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 102.64 -25.1 28.7 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.68 124.24 23.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.446 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 88.8 m-85 -67.8 123.95 21.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.38 158.35 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.066 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 14.4 t -76.89 149.95 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.426 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.687 HD11 ' HB3' ' A' ' 833' ' ' ASP . 0.4 OUTLIER -137.76 113.9 10.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.726 179.803 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -152.94 33.7 0.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.11 162.99 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.32 -34.98 73.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.11 -34.76 71.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.687 ' HB3' HD11 ' A' ' 828' ' ' LEU . 1.5 m-20 -60.35 -42.72 96.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.651 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 33.4 t-105 -67.81 -35.85 79.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.565 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.9 -50.66 72.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.45 -29.41 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.04 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.7 99.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -63.55 -47.12 82.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.705 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.45 ' HA ' ' HB1' ' A' ' 842' ' ' ALA . 13.7 mm-40 -62.01 -31.47 71.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.78 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.601 ' HE2' ' HA ' ' A' ' 820' ' ' ASP . 1.8 ttm -60.79 -47.41 86.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.647 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 2.2 mt -79.53 -8.75 59.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.778 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . 0.45 ' HB1' ' HA ' ' A' ' 839' ' ' GLU . . . -77.75 -44.17 28.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.322 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -88.82 -20.34 24.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -93.52 -2.14 54.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.043 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.04 26.76 10.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -81.48 134.13 35.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 21.09 13.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.057 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -162.23 153.96 18.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.885 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.549 HD21 ' HB2' ' A' ' 818' ' ' TYR . 8.9 tp -148.04 130.68 15.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.109 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -88.86 127.27 35.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.696 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.438 HD11 HG21 ' A' ' 851' ' ' ILE . 9.5 mm -112.48 148.21 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.947 0.403 . . . . 0.0 111.317 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -121.33 123.65 42.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.559 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.572 HD13 HG12 ' A' ' 813' ' ' ILE . 11.6 tp -67.85 165.07 18.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.53 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.3 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.066 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . 0.578 ' HG2' ' H ' ' A' ' 759' ' ' LEU . 73.9 Cg_endo -73.0 -62.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.662 2.241 . . . . 0.0 112.314 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . 0.578 ' H ' ' HG2' ' A' ' 758' ' ' PRO . 0.2 OUTLIER -139.94 38.11 1.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 -179.85 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -153.72 -160.23 9.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.576 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 1.2 p 60.25 173.04 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.918 0.389 . . . . 0.0 111.208 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.1 mt -141.26 138.28 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.518 HD12 ' HB ' ' A' ' 782' ' ' THR . 0.2 OUTLIER -77.32 131.76 38.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.684 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . 0.446 ' HB2' HG21 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -123.4 104.47 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.008 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -79.72 125.97 30.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.68 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . 0.494 HG21 HG21 ' A' ' 798' ' ' ILE . 10.4 mt -116.0 88.44 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 111.137 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 51.5 p -75.97 80.46 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -69.1 128.87 38.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -101.04 137.42 39.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.726 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.99 103.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.982 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 21.2 t30 59.19 -90.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.001 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.13 71.63 0.11 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -161.54 159.58 27.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -95.04 45.22 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 9.1 p -116.38 161.75 18.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.29 -166.88 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 12.0 p -97.86 173.8 6.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 54.6 m -111.32 158.7 18.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -117.84 97.31 5.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.084 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.463 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 19.1 mt -85.54 120.38 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.497 ' HB3' ' HG2' ' A' ' 801' ' ' LYS . 48.3 m-85 -105.52 122.06 45.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 782' ' ' THR . . . . . 0.518 ' HB ' HD12 ' A' ' 763' ' ' LEU . 43.2 p -82.61 129.28 34.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 38.9 tp -125.19 139.87 53.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.2 70.21 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.694 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.446 HG21 ' HB2' ' A' ' 764' ' ' PHE . 1.9 t -65.04 140.28 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.173 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -101.16 163.83 12.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.727 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -79.2 -24.61 43.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 23.0 m -84.38 23.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -102.16 -177.67 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -132.19 -170.98 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.685 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -75.68 -49.58 17.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -64.08 -40.12 95.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.999 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.56 -28.11 68.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.01 -54.32 15.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 796' ' ' MET . 0.4 OUTLIER -59.98 -27.02 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.27 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.533 ' HE2' ' HB3' ' A' ' 796' ' ' MET . 17.7 ttp -70.1 -41.41 74.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.74 97.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.494 HG21 HG21 ' A' ' 766' ' ' ILE . 44.2 mt -62.01 -41.5 91.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.807 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.31 -35.69 76.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.757 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 2.7 t -70.75 -29.75 66.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.71 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.497 ' HG2' ' HB3' ' A' ' 781' ' ' PHE . 0.0 OUTLIER -68.51 -34.81 76.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.811 179.847 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 798' ' ' ILE . 7.5 mt -77.85 -35.56 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.809 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 5.0 p -84.27 5.31 27.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.828 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.42 -45.78 7.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.778 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 2.3 t -90.6 -32.35 16.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.63 142.23 36.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -100.69 10.33 41.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -97.67 163.79 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.19 92.97 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.1 pt -84.86 179.5 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.51 128.3 93.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.761 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -67.06 135.52 37.8 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.452 2.101 . . . . 0.0 112.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.609 HG21 HD13 ' A' ' 853' ' ' LEU . 1.4 mp -66.42 136.17 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.329 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 1.4 p -122.02 -37.44 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -141.01 139.7 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.413 HD12 HG23 ' A' ' 851' ' ' ILE . 10.8 pt -138.01 156.93 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.023 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.462 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 4.9 mttp -111.14 124.84 52.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.028 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -106.51 145.57 31.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.36 121.87 17.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.975 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.95 -171.39 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.33 -17.18 58.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.73 -6.05 47.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.952 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 91.84 3.26 68.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.17 136.61 37.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.462 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 96.9 m-85 -73.98 124.7 26.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.19 158.82 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 4.9 t -79.74 141.44 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.287 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -127.88 108.86 11.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.795 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -150.65 38.54 0.87 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.641 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.61 149.39 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.74 0.305 . . . . 0.0 110.83 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -60.38 -30.06 69.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -72.29 -33.59 67.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -47.6 85.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.653 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -64.38 -35.54 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -60.51 -54.7 42.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.663 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.74 -29.08 44.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.687 179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.19 92.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.863 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -66.8 -45.76 77.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.554 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -63.28 -31.58 72.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.853 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.467 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 39.8 ttp -61.52 -57.71 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.808 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 4.6 mt -69.18 -20.81 64.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.785 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.0 -46.34 81.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.304 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -87.66 -27.0 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.5 OUTLIER -83.59 0.88 44.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 56.35 24.85 8.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -82.32 133.75 35.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.752 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.34 9.25 18.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.217 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -154.83 159.16 40.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . . . . . . . . . 11.9 tp -140.64 156.75 46.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.53 115.9 30.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.733 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.413 HG23 HD12 ' A' ' 816' ' ' ILE . 3.5 mm -115.58 153.87 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.176 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -126.54 136.35 52.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.522 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.609 HD13 HG21 ' A' ' 813' ' ' ILE . 0.2 OUTLIER -86.31 146.93 26.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.087 -179.858 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.379 -0.288 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.38 -29.43 16.82 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.431 2.087 . . . . 0.0 112.374 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.57 -47.34 11.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 166.1 -100.49 0.17 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 2.8 m 62.02 172.94 0.13 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.019 0.438 . . . . 0.0 111.397 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . 0.41 HG22 ' N ' ' A' ' 763' ' ' LEU . 4.6 mt -141.1 134.48 31.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.957 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.41 ' N ' HG22 ' A' ' 762' ' ' ILE . 0.6 OUTLIER -80.86 121.97 26.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.589 179.69 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . 0.503 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -108.78 102.43 11.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.185 -179.732 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -81.13 125.06 29.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.364 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 5.6 mt -116.07 107.21 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.197 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.46 77.81 9.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.24 132.99 36.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -117.78 -42.34 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . 0.536 HD22 HD11 ' A' ' 810' ' ' ILE . 2.2 m-20 55.54 77.88 0.21 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 4.3 m120 56.96 46.57 19.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.87 -166.29 0.15 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.168 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -145.47 -173.21 4.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -92.6 -1.28 57.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.14 22.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.298 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 5.4 p 55.12 25.2 6.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.54 99.6 3.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.56 139.64 36.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -106.54 95.5 5.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.484 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 17.0 mt -85.76 107.06 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.417 ' HB2' HD12 ' A' ' 766' ' ' ILE . 52.4 m-85 -88.12 143.88 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.788 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 76.9 p -111.66 106.75 15.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 1.3 tt -108.28 121.71 45.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.805 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.17 76.06 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.483 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.503 HG23 ' HB2' ' A' ' 764' ' ' PHE . 13.4 t -69.63 129.68 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.38 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -76.1 -174.07 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.769 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -112.81 -19.38 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.7 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 6.6 m -88.62 13.58 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -88.61 178.69 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.206 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -121.21 -161.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.721 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -80.77 -54.13 5.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.64 -40.56 95.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -31.51 72.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.1 -53.73 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -63.78 -25.58 38.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 3.0 mtm -73.8 -40.39 63.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.9 -36.65 84.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 14.3 mt -66.29 -41.9 89.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.775 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -61.34 -45.75 93.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.711 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 39.7 t -65.5 -25.94 67.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.507 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -55.73 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.407 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 4.4 mt -66.27 -20.8 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.702 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 4.4 t -87.38 11.04 15.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.67 -30.81 11.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 9.3 t -137.41 175.28 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.921 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 60.48 -171.61 0.14 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -61.13 155.14 21.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.8 45.56 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.92 15.46 1.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.8 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.536 HD11 HD22 ' A' ' 770' ' ' ASN . 1.6 pt -81.91 165.56 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.165 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.97 139.81 95.76 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.04 -170.67 0.66 Allowed 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.539 2.159 . . . . 0.0 112.445 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 2.4 mp -129.35 120.75 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 37.9 p -101.04 -21.51 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.25 148.92 26.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 4.7 pt -135.94 136.26 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.191 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.535 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 43.6 mttt -88.35 131.02 34.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.964 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.456 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 30.7 p90 -115.59 142.12 47.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.843 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.62 135.63 51.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.026 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -99.98 -165.97 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -12.81 60.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.37 -8.73 41.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.044 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 94.39 -19.48 53.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.594 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.78 163.16 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.469 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 66.7 m-85 -97.95 118.46 34.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.641 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.85 153.35 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.283 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 40.9 t -78.6 138.13 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 818' ' ' TYR . 0.8 OUTLIER -121.12 104.64 9.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.799 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -140.03 24.7 2.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.641 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 1.6 m -144.83 150.26 36.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -33.37 74.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.98 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.6 -31.84 71.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.43 -46.94 83.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -63.38 -35.8 81.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.717 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -60.9 -51.66 68.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.89 -32.84 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.1 88.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.759 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -63.83 -44.0 94.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.508 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.42 -22.99 65.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.86 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 41.1 ttp -71.51 -40.12 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 3.6 mt -87.72 -8.89 55.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -83.93 -26.36 29.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -98.35 11.15 38.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -140.7 4.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 58.75 17.06 4.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -66.04 121.46 15.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.739 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.48 28.12 8.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -163.11 170.26 18.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.033 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . . . . . . . . . 11.7 tp -162.72 146.75 11.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.768 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.428 ' O ' HD13 ' A' ' 851' ' ' ILE . 68.1 m-20 -95.96 134.45 38.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.519 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 29.5 mm -123.27 134.66 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.183 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -111.68 133.3 54.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.71 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.95 168.14 19.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.535 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 3.0 m-85 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.918 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.4 -32.19 5.14 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.614 2.209 . . . . 0.0 112.362 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.35 105.41 15.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 118.53 28.01 2.23 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.39 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 4.2 m -124.75 171.56 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 4.1 mt -136.19 128.29 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.72 106.39 7.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.534 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . 0.497 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -89.06 112.69 23.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.242 -179.616 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 23.7 mtt180 -89.44 118.87 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.372 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 781' ' ' PHE . 3.2 mt -116.01 97.88 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 111.257 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.27 81.53 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -72.27 140.36 48.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.515 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -117.91 119.8 35.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -71.92 -17.85 62.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -147.21 147.59 30.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.35 179.23 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 4.9 t30 65.51 135.26 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.296 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 56.66 -166.31 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.992 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 2.9 t -127.13 150.08 49.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 19.0 t -154.53 -76.12 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.43 171.43 14.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 9.2 m -153.45 152.11 30.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.032 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -119.17 80.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.428 ' CG2' ' HB3' ' A' ' 765' ' ' ARG . 7.9 mt -68.77 116.68 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.238 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.5 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 30.6 m-85 -88.45 170.4 10.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 26.1 p -141.73 92.04 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.028 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.7 ' HG ' ' HE3' ' A' ' 801' ' ' LYS . 0.2 OUTLIER -101.09 133.78 45.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.108 -179.748 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 74.72 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.497 HG23 ' HB2' ' A' ' 764' ' ' PHE . 4.3 t -64.38 138.64 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.2 169.65 9.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.826 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -94.55 -3.77 49.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.768 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 16.3 m -102.59 9.18 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 23.6 m0 -87.51 -173.25 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -137.21 -172.28 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.522 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -70.99 -41.37 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.61 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.68 -37.78 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . 0.464 ' HA ' ' HE1' ' A' ' 796' ' ' MET . 0.5 OUTLIER -67.45 -31.34 71.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.763 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.17 -55.72 9.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.823 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -24.75 29.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.464 ' HE1' ' HA ' ' A' ' 793' ' ' ASP . 9.4 mtm -77.4 -33.18 55.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.648 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.18 -50.24 64.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.484 ' O ' HG13 ' A' ' 802' ' ' ILE . 3.1 mt -59.8 -49.21 84.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . 0.472 HD22 ' HA ' ' A' ' 812' ' ' PRO . 6.5 t-20 -56.43 -36.15 68.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.2 -35.74 81.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.714 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.7 ' HE3' ' HG ' ' A' ' 783' ' ' LEU . 0.1 OUTLIER -71.83 -36.99 70.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.736 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 798' ' ' ILE . 10.6 mt -76.27 -20.92 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 80.9 p -101.44 19.66 17.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -114.64 -35.3 4.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 67.8 p -86.44 -20.88 27.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -124.14 170.21 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -122.5 -19.9 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -63.75 -23.18 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.971 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 57.7 90.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.2 pp -74.91 -165.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.52 ' HB3' HD13 ' A' ' 813' ' ' ILE . 2.7 t -56.05 142.44 65.72 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.01 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.472 ' HA ' HD22 ' A' ' 799' ' ' ASN . 56.9 Cg_endo -70.66 -18.33 32.85 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.55 2.167 . . . . 0.0 112.308 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.52 HD13 ' HB3' ' A' ' 811' ' ' SER . 8.5 mm 60.01 106.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.113 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.6 20.27 13.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.358 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -157.58 127.32 6.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.258 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 1.6 pt -146.66 143.09 20.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.708 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.524 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 13.2 mttp -106.69 128.49 54.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.124 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.432 ' HB2' HD21 ' A' ' 849' ' ' LEU . 44.9 p90 -103.8 148.96 25.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -72.45 127.02 31.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.957 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.79 -177.97 5.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.028 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -67.43 -24.38 65.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.93 -6.97 58.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.788 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 87.36 6.02 78.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.79 129.02 44.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.524 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 72.2 m-85 -66.39 115.0 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.619 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.43 153.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.195 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 3.2 t -71.62 149.98 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.3 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.666 HD12 ' HB3' ' A' ' 833' ' ' ASP . 1.2 tp -137.41 94.11 2.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.735 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.18 27.41 2.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.6 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 5.2 m -144.89 150.93 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.784 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -34.8 74.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -69.35 -34.96 75.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.964 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.666 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -56.72 -43.71 80.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.715 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . 0.413 ' CH2' HG11 ' A' ' 785' ' ' VAL . 38.6 t-105 -67.02 -41.39 86.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.521 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -55.17 -47.2 75.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 38.7 t -66.91 -28.42 42.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.991 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.47 91.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.411 ' HD2' ' O ' ' A' ' 834' ' ' TRP . 0.1 OUTLIER -67.9 -49.54 61.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.507 179.559 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 842' ' ' ALA . 0.9 OUTLIER -59.52 -29.55 67.96 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.68 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.426 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.1 ttm -64.55 -54.41 32.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.428 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 9.0 mt -68.86 -9.98 54.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.489 179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 839' ' ' GLU . . . -75.4 -56.4 4.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -74.7 -35.78 62.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.1 m-80 -73.76 -6.79 49.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 57.36 25.97 11.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 178.67 3.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 -25.03 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.193 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -123.75 -178.84 4.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.816 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 818' ' ' TYR . 13.1 tp -161.27 134.11 6.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.28 123.5 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.424 HD13 HG21 ' A' ' 851' ' ' ILE . 8.9 mm -118.09 138.58 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.246 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.85 136.44 45.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.575 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.25 150.36 22.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.093 -179.876 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -76.56 -161.71 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.632 2.221 . . . . 0.0 112.403 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.64 95.37 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.747 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 124.2 52.01 0.19 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.67 155.48 47.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.9 mt -122.29 129.31 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.366 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.405 ' HB3' ' HB2' ' A' ' 848' ' ' PHE . 0.3 OUTLIER -78.02 93.85 4.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.555 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . 0.543 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.2 OUTLIER -92.25 120.63 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.17 -179.797 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.51 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 7.3 mtp180 -99.75 131.18 45.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.56 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . . . . . . . . . 4.8 mt -123.37 106.11 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.277 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 21.7 t -76.73 83.04 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.801 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . 0.449 ' OH ' HG22 ' A' ' 810' ' ' ILE . 77.6 t80 -79.56 126.72 31.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.04 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -129.34 106.93 9.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.814 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . 0.432 HD21 HD21 ' A' ' 771' ' ' ASN . 0.6 OUTLIER -63.13 -44.5 95.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.057 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . 0.432 HD21 HD21 ' A' ' 770' ' ' ASN . 19.1 m-80 -131.24 170.77 14.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 66.1 p -72.89 98.39 2.45 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -97.68 -30.34 12.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 8.8 t30 59.32 93.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.946 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 8.8 t 36.53 44.07 0.29 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.969 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 1.9 t -125.67 -45.11 1.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 7.5 t -146.15 141.36 27.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.36 161.09 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -123.79 79.48 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 50.5 mt -73.8 113.12 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.097 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.51 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 16.7 m-85 -88.21 148.31 24.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 25.9 p -122.41 93.15 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.025 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.446 ' HB2' ' HE3' ' A' ' 801' ' ' LYS . 9.4 tp -110.16 128.05 55.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.891 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.2 mp -80.45 78.0 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.547 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.543 HG23 ' HB2' ' A' ' 764' ' ' PHE . 6.5 t -64.39 118.13 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.169 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.71 166.47 15.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.123 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -88.37 -21.1 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.732 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 15.5 m -87.33 27.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.978 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -107.29 -179.68 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.035 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -130.26 -174.54 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.751 179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -67.93 -51.4 48.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.794 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.51 -35.15 79.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.91 -37.91 79.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.669 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.421 HD11 HG13 ' A' ' 785' ' ' VAL . 1.8 tt -63.73 -52.5 60.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.81 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.464 HG23 ' N ' ' A' ' 796' ' ' MET . 0.5 OUTLIER -65.48 -25.95 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.284 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.464 ' N ' HG23 ' A' ' 795' ' ' ILE . 0.2 OUTLIER -73.0 -39.69 65.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.972 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.55 80.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 794' ' ' LEU . 22.8 mt -64.8 -47.77 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -59.85 -33.96 72.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.732 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.17 -30.29 67.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 783' ' ' LEU . 0.0 OUTLIER -71.76 -31.6 66.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.019 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 17.1 mt -77.44 -29.34 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 7.4 t -90.78 27.14 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.43 0.29 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 805' ' ' THR . . . . . 0.413 HG23 ' H ' ' A' ' 806' ' ' HIS . 0.0 OUTLIER -127.37 -50.27 1.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.236 -179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.413 ' H ' HG23 ' A' ' 805' ' ' THR . 94.7 m-70 -93.65 169.07 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.68 20.8 10.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -121.43 140.69 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -83.36 90.55 7.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.819 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.449 HG22 ' OH ' ' A' ' 768' ' ' TYR . 1.2 pp -78.66 176.04 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.99 131.25 94.63 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.079 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.22 148.31 74.34 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.522 2.148 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.428 HG12 HD23 ' A' ' 853' ' ' LEU . 3.6 mp -104.25 129.67 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.33 -18.84 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 146.45 50.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.425 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 2.8 pt -145.0 147.29 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.567 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 13.0 mttt -100.09 116.78 32.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.278 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.485 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 28.7 p90 -104.77 139.85 38.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . 0.46 ' HB3' HD11 ' A' ' 849' ' ' LEU . 47.9 tt0 -65.56 128.8 37.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.59 ' HA ' ' HE2' ' A' ' 840' ' ' MET . 1.1 t70 -92.74 176.44 6.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.75 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -8.74 55.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.768 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.21 4.52 52.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 72.83 29.19 65.59 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.559 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -133.4 135.0 44.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.319 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.533 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 63.8 m-85 -72.1 119.88 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.715 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . 0.413 HG22 ' HB2' ' A' ' 820' ' ' ASP . 0.0 OUTLIER -109.0 151.55 11.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 -179.797 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.459 HG13 ' HH ' ' A' ' 854' ' ' TYR . 3.8 t -67.71 139.83 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.354 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 818' ' ' TYR . 0.4 OUTLIER -130.49 101.32 5.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.769 179.76 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -146.93 52.42 0.56 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.76 161.34 11.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.795 0.331 . . . . 0.0 110.959 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.99 -32.58 73.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -71.83 -35.51 69.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.474 ' HB3' HD13 ' A' ' 828' ' ' LEU . 83.0 m-20 -59.34 -48.85 80.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.78 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 30.9 t-105 -64.67 -34.31 78.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.697 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.28 -49.53 75.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 37.0 t -66.13 -31.38 53.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.149 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.83 -47.21 85.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -63.21 -42.96 99.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.675 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.27 -25.9 67.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.873 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.59 ' HE2' ' HA ' ' A' ' 820' ' ' ASP . 1.8 ttm -65.18 -52.82 52.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.609 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.444 ' HA ' ' HB2' ' A' ' 846' ' ' GLU . 7.8 mt -70.44 -16.79 62.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.549 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -77.91 -42.09 34.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.266 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.28 -4.88 58.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.5 OUTLIER -110.92 4.38 19.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.0 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 57.51 20.84 6.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 0.7 OUTLIER -72.81 -174.06 1.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.63 -27.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.228 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . 0.405 ' HB2' ' HB3' ' A' ' 763' ' ' LEU . 12.4 p90 -127.58 -176.57 3.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.863 0.364 . . . . 0.0 111.155 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.46 HD11 ' HB3' ' A' ' 819' ' ' GLN . 13.1 tp -165.18 151.88 10.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.594 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . 0.457 ' O ' HD12 ' A' ' 851' ' ' ILE . 1.5 m-80 -107.32 134.64 50.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.196 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.457 HD12 ' O ' ' A' ' 850' ' ' ASN . 5.3 mm -126.05 146.43 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.801 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -134.13 139.67 46.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.746 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.428 HD23 HG12 ' A' ' 813' ' ' ILE . 3.0 mt -66.53 173.63 3.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.567 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.6 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.46 -49.75 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.57 2.18 . . . . 0.0 112.166 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.33 -58.24 2.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -158.2 144.15 10.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.525 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 30.7 p -140.77 160.6 39.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 7.1 mt -133.32 136.41 54.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.28 136.25 40.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . 0.533 ' HB2' HG21 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -125.41 100.55 6.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.335 -179.587 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 0.4 OUTLIER -74.55 127.4 33.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.161 179.454 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 9.3 mt -123.33 97.5 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.324 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 58.3 p -87.48 109.37 19.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . 0.5 ' CD2' ' HG ' ' A' ' 853' ' ' LEU . 10.1 t80 -104.3 107.06 17.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . 0.51 ' ND2' ' HB2' ' A' ' 778' ' ' SER . 1.7 t-20 -112.51 55.19 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.747 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.67 -88.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.08 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -134.65 42.35 2.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.834 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.11 39.06 30.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -24.31 60.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 1.9 t30 55.75 38.52 30.2 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 15.8 p -127.6 -33.15 2.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.24 176.63 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.024 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.05 154.58 41.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 778' ' ' SER . . . . . 0.51 ' HB2' ' ND2' ' A' ' 769' ' ' ASN . 8.7 t -117.48 140.64 49.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.075 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -102.17 100.56 10.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 5.8 mt -87.75 121.91 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.451 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 44.4 m-85 -99.23 173.67 6.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 74.3 p -131.99 105.34 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.986 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.546 ' HG ' ' HE3' ' A' ' 801' ' ' LYS . 0.6 OUTLIER -101.62 134.48 44.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.16 65.56 8.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.477 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.533 HG21 ' HB2' ' A' ' 764' ' ' PHE . 13.0 t -64.58 108.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.207 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.34 178.19 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -95.93 -14.91 22.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.41 13.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -95.35 -170.29 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.085 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -140.94 -169.14 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.414 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -70.4 -49.47 48.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.77 -45.73 85.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.992 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -30.34 70.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.694 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 3.4 tt -69.44 -57.36 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.806 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.498 ' HA ' HD12 ' A' ' 798' ' ' ILE . 3.1 tp -60.49 -24.92 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 796' ' ' MET . . . . . 0.426 ' N ' HG21 ' A' ' 795' ' ' ILE . 32.5 tpp -71.87 -36.68 70.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . 0.488 ' HB2' HD11 ' A' ' 783' ' ' LEU . . . -66.42 -43.84 84.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.25 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.498 HD12 ' HA ' ' A' ' 795' ' ' ILE . 5.9 mt -60.63 -46.99 94.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -58.62 -33.04 69.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.819 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 47.4 t -66.55 -34.91 78.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.639 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.546 ' HE3' ' HG ' ' A' ' 783' ' ' LEU . 0.0 OUTLIER -65.46 -39.25 91.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.813 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 14.7 mt -71.77 -40.96 70.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.367 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 10.0 t -69.59 -7.8 41.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -84.96 -40.16 17.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.842 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 1.4 t -153.56 115.28 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.284 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.423 ' HB2' HG13 ' A' ' 810' ' ' ILE . 33.7 p80 -149.48 178.46 8.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.748 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -84.47 -88.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -164.72 -13.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -128.08 82.46 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.423 HG13 ' HB2' ' A' ' 806' ' ' HIS . 28.4 mm -119.85 131.9 71.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.86 151.22 37.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.819 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.02 166.19 5.86 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.596 2.198 . . . . 0.0 112.163 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.472 ' HB ' ' H ' ' A' ' 814' ' ' THR . 1.0 OUTLIER -105.95 -89.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.375 -179.686 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 814' ' ' THR . . . . . 0.472 ' H ' ' HB ' ' A' ' 813' ' ' ILE . 0.2 OUTLIER 58.32 18.12 5.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.277 -179.777 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.41 118.17 0.64 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 5.9 pt -144.91 151.82 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.537 ' HD2' ' HH ' ' A' ' 854' ' ' TYR . 61.0 mttt -111.91 129.89 56.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.98 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.618 ' HB2' HD22 ' A' ' 849' ' ' LEU . 24.4 p90 -103.59 146.45 28.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.03 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -73.42 138.11 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.997 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.621 ' HA ' ' HE2' ' A' ' 840' ' ' MET . 0.5 OUTLIER -93.83 -176.5 4.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.2 -21.33 64.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -97.7 6.96 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.721 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 71.33 43.58 54.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.461 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -126.17 121.17 32.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -66.38 108.67 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.19 152.84 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.213 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.49 HG23 ' HE2' ' A' ' 817' ' ' LYS . 4.1 t -66.99 153.87 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.638 HD11 ' HB3' ' A' ' 833' ' ' ASP . 1.7 tp -146.42 94.91 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.681 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.45 35.39 2.02 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.611 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 830' ' ' SER . . . . . 0.401 ' HG ' ' HB2' ' A' ' 833' ' ' ASP . 60.2 p -154.46 147.66 24.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -60.57 -27.8 67.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -71.65 -40.65 69.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.638 ' HB3' HD11 ' A' ' 828' ' ' LEU . 3.3 m-20 -57.59 -40.9 80.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.615 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -67.41 -36.17 80.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.338 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -61.86 -50.1 73.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.486 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 15.1 t -63.53 -32.05 55.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.784 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . 0.413 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -61.33 -37.97 85.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.646 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -42.69 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.425 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.54 -26.45 68.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.435 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.621 ' HE2' ' HA ' ' A' ' 820' ' ' ASP . 44.6 ttp -70.32 -45.66 65.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.481 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.579 HD21 HD13 ' A' ' 849' ' ' LEU . 5.9 mt -76.45 -18.33 58.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.845 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.91 -37.0 41.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.199 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -90.38 -7.35 53.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.7 OUTLIER -116.83 -2.32 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.0 18.32 6.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.492 ' O ' ' HB3' ' A' ' 841' ' ' LEU . 1.0 OUTLIER -68.87 124.29 23.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.26 14.82 24.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.982 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -152.64 157.48 41.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.749 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.618 HD22 ' HB2' ' A' ' 818' ' ' TYR . 8.6 tp -150.26 132.08 15.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.046 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -85.16 123.51 30.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.004 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.432 HG13 ' CE2' ' A' ' 764' ' ' PHE . 5.3 mm -120.25 141.71 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.249 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -112.99 142.05 46.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.827 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.5 ' HG ' ' CD2' ' A' ' 768' ' ' TYR . 0.2 OUTLIER -88.32 148.6 24.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.047 -179.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.537 ' HH ' ' HD2' ' A' ' 817' ' ' LYS . 94.6 m-85 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.972 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.2 -25.85 18.46 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.618 2.212 . . . . 0.0 112.166 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.31 -61.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 169.61 74.68 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 89.4 p -108.14 172.82 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.682 0.277 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 16.4 mt -134.5 133.03 54.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.193 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.63 83.85 5.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.725 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.13 107.45 5.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.169 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 849' ' ' LEU . 25.4 mtm180 -83.56 127.96 34.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.435 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . 0.499 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 2.4 mt -115.87 87.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.783 0.325 . . . . 0.0 111.218 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.38 92.62 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . 0.475 ' CD2' ' HG ' ' A' ' 853' ' ' LEU . 4.1 t80 -81.83 115.48 21.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -117.31 124.46 49.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -95.87 -25.52 15.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.775 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . 0.406 ' HB3' ' HB2' ' A' ' 774' ' ' ASN . 0.5 OUTLIER -89.21 -2.25 58.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.777 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 3.1 m 60.81 99.65 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.997 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . 0.557 ' HA ' HH22 ' A' ' 852' ' ' ARG . 3.9 t-20 57.47 77.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . 0.406 ' HB2' ' HB3' ' A' ' 771' ' ' ASN . 0.8 OUTLIER -141.25 179.04 7.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.746 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 10.6 t -119.96 153.76 35.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.095 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.48 35.72 25.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 96.5 p -156.43 19.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 19.7 p -111.77 117.25 32.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -99.65 95.91 7.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.803 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.499 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.3 mt -85.42 124.69 40.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.203 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -108.96 121.8 45.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.745 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 49.7 p -91.79 119.83 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.437 HD11 ' HZ1' ' A' ' 801' ' ' LYS . 9.7 tp -122.94 138.34 54.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.873 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.84 83.53 7.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.664 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.409 HG12 ' CE3' ' A' ' 789' ' ' TRP . 3.4 t -70.96 147.73 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.173 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.437 ' HB3' HG21 ' A' ' 788' ' ' VAL . 5.7 mm-40 -106.35 145.48 31.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.798 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -70.51 -6.59 37.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.982 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . 0.437 HG21 ' HB3' ' A' ' 786' ' ' GLU . 16.1 m -100.48 30.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.409 ' CE3' HG12 ' A' ' 785' ' ' VAL . 9.3 m0 -110.92 -171.28 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -136.13 -177.6 4.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.556 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . 0.411 ' CZ ' ' HA2' ' A' ' 829' ' ' GLY . 74.2 t80 -68.74 -49.42 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.432 ' O ' HG23 ' A' ' 795' ' ' ILE . 22.0 t70 -63.72 -35.34 80.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.741 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -33.71 69.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -50.75 65.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.432 HG23 ' O ' ' A' ' 792' ' ' ASP . 0.5 OUTLIER -65.96 -25.19 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.176 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 1.8 ttp -72.48 -41.08 66.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.814 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.67 91.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . 0.844 HG22 HG13 ' A' ' 813' ' ' ILE . 12.0 mt -61.63 -45.87 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.662 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.17 -32.99 72.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.578 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -38.07 89.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.385 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.437 ' HZ1' HD11 ' A' ' 783' ' ' LEU . 0.0 OUTLIER -62.66 -40.33 96.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.415 179.53 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.405 HD11 HD12 ' A' ' 813' ' ' ILE . 41.5 mt -70.16 -34.9 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.174 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 2.1 p -61.95 -22.38 65.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -67.29 -41.06 86.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.456 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 2.1 t -152.88 112.06 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.971 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.736 ' HB2' ' HA ' ' A' ' 809' ' ' ASN . 1.3 p80 -131.13 -23.11 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . 0.4 ' HB3' ' H ' ' A' ' 808' ' ' ASN . 1.6 t-20 59.22 -88.83 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.99 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . 0.4 ' H ' ' HB3' ' A' ' 807' ' ' ASN . 0.9 OUTLIER -81.09 4.3 20.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.673 179.795 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . 0.736 ' HA ' ' HB2' ' A' ' 806' ' ' HIS . 0.5 OUTLIER 59.59 93.93 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.187 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.1 pp -81.84 172.01 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.045 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 811' ' ' SER . . . . . 0.44 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 26.8 t -71.87 137.02 82.45 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.024 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 24.7 Cg_exo -63.05 176.13 2.09 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.591 2.194 . . . . 0.0 112.223 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.844 HG13 HG22 ' A' ' 798' ' ' ILE . 7.8 mm -93.67 142.32 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 16.4 p -133.52 -42.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 134.73 38.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.568 HG21 HD23 ' A' ' 853' ' ' LEU . 8.3 pt -137.76 155.43 30.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.537 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 17.0 mttt -119.41 126.96 52.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.516 ' HA ' HD11 ' A' ' 851' ' ' ILE . 33.9 p90 -100.19 141.6 32.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.096 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -66.2 136.53 56.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.45 -177.86 4.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -25.27 66.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.73 -21.64 34.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 101.38 24.42 8.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.58 128.96 55.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.537 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 40.2 m-85 -66.88 115.44 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.95 148.94 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.441 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 22.1 t -64.38 145.27 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.314 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.412 HD13 ' HB3' ' A' ' 833' ' ' ASP . 0.7 OUTLIER -137.09 95.91 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.772 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . 0.411 ' HA2' ' CZ ' ' A' ' 791' ' ' PHE . . . -137.98 24.36 2.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.682 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.71 156.26 46.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.738 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.85 -36.27 83.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.766 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.37 -37.7 85.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.412 ' HB3' HD13 ' A' ' 828' ' ' LEU . 1.6 m-20 -57.0 -42.62 80.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.686 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -66.55 -35.48 80.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.389 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . 0.651 ' HA ' ' HZ3' ' A' ' 838' ' ' LYS . 1.0 OUTLIER -62.45 -39.87 94.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.517 179.622 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.85 -30.21 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.88 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.71 97.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . 0.651 ' HZ3' ' HA ' ' A' ' 835' ' ' ASN . 9.5 mtmp? -66.96 -37.45 84.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.6 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -74.85 -23.54 58.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.792 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.4 ttm -68.74 -47.87 65.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.664 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 5.5 mt -80.18 -14.82 58.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.515 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 838' ' ' LYS . . . -67.36 -62.63 1.33 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.045 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -67.14 -35.65 80.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.009 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -75.32 -6.13 48.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 57.17 26.19 11.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.96 -164.77 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.07 -27.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -123.07 155.54 36.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.803 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.406 ' O ' ' HG3' ' A' ' 765' ' ' ARG . 15.1 tp -142.48 146.26 34.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.07 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -102.22 123.19 45.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.516 HD11 ' HA ' ' A' ' 818' ' ' TYR . 8.0 mm -118.46 145.03 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.303 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . 0.557 HH22 ' HA ' ' A' ' 773' ' ' ASN . 0.7 OUTLIER -114.38 138.97 49.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.799 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.568 HD23 HG21 ' A' ' 816' ' ' ILE . 0.2 OUTLIER -91.68 146.16 24.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.424 ' HE1' ' HB2' ' A' ' 817' ' ' LYS . 83.4 m-85 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.089 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.86 -9.62 19.62 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.586 2.191 . . . . 0.0 112.454 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -43.63 71.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -166.47 105.22 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.415 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 27.0 p -155.96 163.3 39.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . 0.415 HG23 ' O ' ' A' ' 847' ' ' LYS . 3.5 mt -139.25 121.95 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.506 HD21 ' HB ' ' A' ' 782' ' ' THR . 0.5 OUTLIER -70.84 105.73 3.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.562 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . 0.543 ' HB2' HG21 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -100.0 117.08 33.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.314 -179.604 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 21.1 mtt-85 -93.23 130.73 38.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.447 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . 0.655 HD13 ' HB2' ' A' ' 781' ' ' PHE . 3.4 mt -123.9 107.57 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.246 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 1.7 t -86.57 138.18 31.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . 0.454 ' CE1' HD13 ' A' ' 810' ' ' ILE . 57.3 t80 -133.05 129.11 37.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.717 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.36 164.81 15.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.0 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -107.81 -35.37 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.853 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.27 -55.65 0.4 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.839 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.22 -155.6 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.774 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -85.63 19.46 2.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.6 -161.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.774 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 6.9 p 53.16 -161.44 0.11 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.455 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.67 79.01 6.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.014 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 1.7 t 56.76 -168.45 0.11 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.163 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 778' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 768' ' ' TYR . 1.5 m -116.02 -173.91 2.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.971 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -104.42 121.69 43.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.485 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.9 mt -117.0 124.87 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.987 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . 0.655 ' HB2' HD13 ' A' ' 766' ' ' ILE . 11.1 m-85 -98.6 159.26 15.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.786 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 782' ' ' THR . . . . . 0.506 ' HB ' HD21 ' A' ' 763' ' ' LEU . 82.6 p -129.26 89.7 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.181 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.428 HD12 ' HD3' ' A' ' 801' ' ' LYS . 0.5 OUTLIER -102.5 128.28 49.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 7.6 mp -79.8 88.2 5.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.543 HG21 ' HB2' ' A' ' 764' ' ' PHE . 15.2 t -70.89 131.44 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.079 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 2.0 mm-40 -92.27 152.14 19.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -70.91 -27.97 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 31.6 m -70.57 -12.21 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.025 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . 0.417 ' HB2' ' O ' ' A' ' 786' ' ' GLU . 13.1 m0 -74.42 166.43 23.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.238 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -119.89 -168.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.54 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -69.7 -46.35 66.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.625 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -67.5 -41.25 84.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -32.89 74.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.68 -55.05 11.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 4.5 tp -59.55 -28.16 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 2.5 ttm -72.12 -36.63 69.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.764 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.35 80.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 6.8 mt -69.67 -50.34 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.59 -32.24 66.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.684 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 22.5 t -70.63 -36.9 73.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.504 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.428 ' HD3' HD12 ' A' ' 783' ' ' LEU . 6.9 tptp -64.29 -34.76 78.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.76 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . 0.618 HG21 HD11 ' A' ' 810' ' ' ILE . 19.7 mt -75.39 -35.45 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.9 p -72.8 -3.25 24.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -111.07 -37.55 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 72.4 p -100.04 157.71 16.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.277 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . 0.409 ' HB3' ' H ' ' A' ' 807' ' ' ASN . 2.0 t60 55.77 -99.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.288 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . 0.409 ' H ' ' HB3' ' A' ' 806' ' ' HIS . 1.3 t-20 -145.74 151.26 37.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.766 0.317 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.45 28.83 4.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.61 52.14 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.007 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . 0.618 HD11 HG21 ' A' ' 802' ' ' ILE . 1.3 pt -119.95 176.11 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.6 t -66.34 145.06 98.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.03 172.57 8.38 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.441 2.094 . . . . 0.0 112.26 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.746 HD13 HD13 ' A' ' 853' ' ' LEU . 7.1 mm -112.69 -88.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 56.92 16.85 2.98 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.932 0.396 . . . . 0.0 111.123 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . 0.411 ' HG2' ' CE2' ' A' ' 854' ' ' TYR . 3.0 tttt -166.91 124.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.409 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 1.0 OUTLIER -139.55 151.11 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.388 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.519 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 0.9 OUTLIER -106.15 117.81 34.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.715 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . 0.533 ' HA ' HD11 ' A' ' 851' ' ' ILE . 18.9 p90 -101.28 140.5 35.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -71.34 120.84 17.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.02 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . 0.62 ' HA ' ' HE1' ' A' ' 840' ' ' MET . 3.1 t0 -76.4 -176.27 3.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.787 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.67 -18.32 62.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.3 7.45 45.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 69.45 30.91 71.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.24 119.84 34.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.754 0.311 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -59.67 117.74 5.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.84 156.91 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . 0.43 HG11 ' OH ' ' A' ' 854' ' ' TYR . 3.0 t -75.22 149.4 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.085 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -142.29 105.65 4.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.799 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -142.92 11.68 2.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.03 156.54 44.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -63.99 -31.46 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.01 -35.27 78.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.797 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . 0.459 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -62.5 -49.86 73.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.782 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -61.54 -32.87 72.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.524 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -63.01 -48.76 77.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.737 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 21.7 t -66.43 -30.39 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.971 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.59 88.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -67.64 -36.12 80.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.509 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.69 -22.52 62.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.563 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.62 ' HE1' ' HA ' ' A' ' 820' ' ' ASP . 0.4 OUTLIER -76.01 -41.4 51.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.538 179.719 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . . . . . . . . . 1.4 mt -83.29 -11.85 57.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.633 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -75.01 -49.33 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.38 10.9 15.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.7 OUTLIER -125.28 1.53 7.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 57.17 24.92 10.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.046 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.48 132.92 34.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.722 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . 0.415 ' O ' HG23 ' A' ' 762' ' ' ILE . 3.8 tptt -112.62 -10.68 13.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.077 -179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -124.9 177.59 5.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' A' ' 818' ' ' TYR . 16.5 tp -165.94 145.32 6.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -100.0 132.98 45.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.769 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . 0.533 HD11 ' HA ' ' A' ' 818' ' ' TYR . 14.4 mm -123.15 140.36 47.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.928 0.394 . . . . 0.0 111.399 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.33 145.13 43.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.696 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.746 HD13 HD13 ' A' ' 813' ' ' ILE . 11.4 tp -82.59 163.49 21.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.047 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.519 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.2 m-85 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.806 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 CA-C-O 120.181 -0.233 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.12 -1.11 10.45 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.562 2.174 . . . . 0.0 112.368 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 5.8 mp -59.49 -35.41 74.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -159.57 86.41 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -143.04 168.44 19.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.6 mp -124.4 127.98 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 763' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 763' ' ' LEU . 0.3 OUTLIER -70.93 95.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.54 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 764' ' ' PHE . . . . . 0.54 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -91.03 115.4 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.033 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 765' ' ' ARG . . . . . 0.411 ' HB3' ' CG2' ' A' ' 780' ' ' ILE . 6.6 mtp180 -88.58 130.36 35.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.764 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 766' ' ' ILE . . . . . . . . . . . . . 6.1 mt -123.6 93.0 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.8 109.68 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -114.0 141.65 47.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -115.01 131.03 57.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -82.53 -29.3 30.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -135.51 -26.72 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.09 170.4 0.1 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.178 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 52.98 41.78 32.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -63.97 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.779 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.54 -73.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.009 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 5.5 p -168.14 -33.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.735 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 31.7 p -65.04 133.33 51.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.02 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.48 -171.18 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -109.92 71.72 0.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.794 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 780' ' ' ILE . . . . . 0.411 ' CG2' ' HB3' ' A' ' 765' ' ' ARG . 16.5 mt -77.81 119.91 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -96.09 172.1 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.644 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 64.2 p -136.13 94.75 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.351 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 783' ' ' LEU . . . . . 0.502 HD12 ' HD3' ' A' ' 801' ' ' LYS . 0.3 OUTLIER -106.25 120.17 41.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.756 179.869 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.3 mp -73.73 91.31 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 785' ' ' VAL . . . . . 0.54 HG23 ' HB2' ' A' ' 764' ' ' PHE . 5.0 t -76.94 132.73 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.02 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.93 164.7 13.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.991 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -82.43 -18.32 42.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.737 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 31.2 m -86.73 23.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.982 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -105.93 -175.78 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.177 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -138.29 -174.32 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.55 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -68.66 -44.67 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 792' ' ' ASP . . . . . 0.425 ' O ' HG22 ' A' ' 795' ' ' ILE . 28.6 t70 -68.04 -37.31 81.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -31.93 68.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.655 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 794' ' ' LEU . . . . . 0.561 HD22 HD12 ' A' ' 816' ' ' ILE . 1.2 tt -69.41 -51.21 38.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.772 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 795' ' ' ILE . . . . . 0.425 HG22 ' O ' ' A' ' 792' ' ' ASP . 3.9 tp -64.03 -23.56 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -35.48 63.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -67.77 -47.2 69.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.278 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 13.1 mt -58.12 -49.99 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.186 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.44 -28.45 68.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.34 -37.51 74.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 801' ' ' LYS . . . . . 0.502 ' HD3' HD12 ' A' ' 783' ' ' LEU . 2.4 tptp -67.33 -33.24 74.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.806 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 35.6 mt -75.97 -32.85 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.255 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.58 -0.35 29.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.985 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -87.5 -31.42 19.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.663 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 59.3 p -92.71 -59.54 2.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 51.09 82.27 0.06 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.187 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -117.05 52.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.783 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 808' ' ' ASN . . . . . 0.49 ' HB3' ' ND2' ' A' ' 809' ' ' ASN . 1.2 t30 62.97 164.66 0.11 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.124 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 809' ' ' ASN . . . . . 0.49 ' ND2' ' HB3' ' A' ' 808' ' ' ASN . 8.4 m-80 54.61 31.13 14.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 28.0 mm -101.8 130.84 50.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.788 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.49 149.33 70.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.985 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.34 124.49 10.89 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.418 2.079 . . . . 0.0 112.312 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 813' ' ' ILE . . . . . 0.548 HG13 HD11 ' A' ' 853' ' ' LEU . 10.6 mm -113.37 142.53 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.234 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.5 29.94 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.983 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.45 123.85 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.992 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 816' ' ' ILE . . . . . 0.561 HD12 HD22 ' A' ' 794' ' ' LEU . 6.6 pt -137.01 149.63 26.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 817' ' ' LYS . . . . . 0.544 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 33.0 mttt -112.82 134.13 54.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.096 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -109.98 149.0 30.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -77.24 135.58 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -105.86 -165.14 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.056 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -18.71 63.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.98 -8.54 58.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 83.91 3.83 89.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.13 160.83 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.727 0.299 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 825' ' ' PHE . . . . . 0.544 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 68.9 m-85 -93.93 107.99 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -91.27 156.53 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.16 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 2.8 t -71.82 148.87 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 828' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -141.97 96.31 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.793 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.21 29.93 2.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.561 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.96 155.63 43.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.741 0.305 . . . . 0.0 110.933 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.18 -35.69 81.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -67.81 -39.2 84.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.82 -40.6 69.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.653 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -69.25 -36.75 77.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.385 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -61.17 -43.27 99.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.701 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 5.3 t -70.43 -27.21 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.764 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.91 92.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.723 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -64.47 -42.9 95.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.43 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.34 -20.3 66.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.535 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 840' ' ' MET . . . . . 0.422 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 25.9 ttp -71.18 -53.1 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.38 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 841' ' ' LEU . . . . . 0.482 ' HA ' ' HB2' ' A' ' 846' ' ' GLU . 10.0 mt -72.87 -14.19 61.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.473 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.86 -62.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.01 -36.91 85.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 844' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 840' ' ' MET . 30.3 m-20 -76.06 -6.64 52.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 24.3 t30 57.56 24.84 10.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.666 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 846' ' ' GLU . . . . . 0.482 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 0.5 OUTLIER -66.29 -174.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.932 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -147.7 -30.48 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -128.4 169.66 14.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.924 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 849' ' ' LEU . . . . . . . . . . . . . 13.1 tp -152.1 135.3 15.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -86.61 127.26 34.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 851' ' ' ILE . . . . . . . . . . . . . 5.7 mm -123.82 145.78 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -118.57 143.1 47.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.815 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 853' ' ' LEU . . . . . 0.548 HD11 HG13 ' A' ' 813' ' ' ILE . 0.2 OUTLIER -94.21 148.95 21.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.828 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 854' ' ' TYR . . . . . 0.42 ' N ' HD12 ' A' ' 853' ' ' LEU . 75.6 m-85 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.372 -0.823 . . . . 0.0 111.119 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 761' ' ' SER . . . . . 0.422 ' C ' HG13 ' A' ' 762' ' ' ILE . 19.4 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 762' ' ' ILE . . . . . 0.422 HG13 ' C ' ' A' ' 761' ' ' SER . 3.6 mt -134.88 129.85 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 763' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 763' ' ' LEU . 0.4 OUTLIER -74.49 109.94 8.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.669 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.47 128.56 52.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 765' ' ' ARG . . . . . 0.44 ' HB3' ' CG2' ' A' ' 780' ' ' ILE . 1.0 OUTLIER -110.03 130.01 55.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.543 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 766' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 0.7 OUTLIER -125.92 103.48 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.29 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 9.4 t -78.89 72.62 5.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 70.5 t80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.005 -179.835 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.727 0.299 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 12.9 mt -105.69 113.2 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.332 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -90.12 151.29 21.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.724 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 44.7 p -125.15 107.91 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.307 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 783' ' ' LEU . . . . . 0.47 HD23 HD11 ' A' ' 766' ' ' ILE . 0.3 OUTLIER -122.81 143.76 49.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.55 100.15 10.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.329 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.473 HG13 ' CE3' ' A' ' 789' ' ' TRP . 11.9 t -79.58 118.86 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.56 162.75 28.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.079 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -88.68 -10.21 49.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.723 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 24.0 m -95.3 16.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.473 ' CE3' HG13 ' A' ' 785' ' ' VAL . 11.9 m0 -96.13 -176.11 3.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.072 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 790' ' ' ASN . . . . . 0.407 ' H ' ' HB2' ' A' ' 793' ' ' ASP . 6.2 m120 -136.66 -176.55 4.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.325 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.29 -42.51 96.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.826 0.346 . . . . 0.0 110.632 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.75 -43.72 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 793' ' ' ASP . . . . . 0.407 ' HB2' ' H ' ' A' ' 790' ' ' ASN . 1.1 m-20 -65.41 -25.68 67.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.742 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.21 -53.51 9.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.827 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.658 ' HA ' HD12 ' A' ' 798' ' ' ILE . 3.6 tp -63.01 -24.49 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.199 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 16.0 ttm -72.89 -41.61 64.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.751 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.5 90.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 795' ' ' ILE . 14.1 mt -64.81 -40.78 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.172 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.959 -179.858 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.748 0.309 . . . . 0.0 111.334 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.504 ' HE2' ' HZ2' ' A' ' 817' ' ' LYS . 14.4 tttt -143.72 119.58 10.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.911 0.386 . . . . 0.0 111.069 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 851' ' ' ILE . 18.8 pt -138.5 148.29 24.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.742 ' HE3' HG22 ' A' ' 827' ' ' VAL . 31.7 mttp -111.63 129.39 56.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -103.02 158.89 15.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -85.46 130.15 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.095 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -91.2 -160.41 0.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -26.49 55.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.185 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -79.97 -32.22 39.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.079 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 114.15 -1.56 24.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -87.44 153.82 21.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.538 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 51.7 m-85 -85.3 112.87 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.784 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.55 140.4 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.742 HG22 ' HE3' ' A' ' 817' ' ' LYS . 14.5 t -61.81 146.58 11.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.564 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.448 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.5 OUTLIER -142.26 94.36 2.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.584 179.806 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -135.14 13.7 4.35 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.617 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.29 160.47 29.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -68.25 -45.26 73.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.1 OUTLIER -61.53 -29.76 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.981 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.448 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.4 OUTLIER -64.19 -32.26 73.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.635 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -75.26 -38.22 60.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.633 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -61.53 -44.82 96.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.683 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 832' ' ' GLU . 37.7 t -66.96 -33.51 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.879 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.45 -39.74 80.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.674 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -68.93 -41.11 78.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.455 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.41 -20.01 64.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.579 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -72.29 -53.09 13.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.551 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.872 HD21 HD13 ' A' ' 849' ' ' LEU . 2.4 mt -72.05 -20.19 61.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.701 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.62 -53.2 30.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.215 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.74 -34.75 67.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -79.18 -2.47 41.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 57.14 22.25 7.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -171.72 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.103 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.78 -27.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.007 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -117.45 175.28 5.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.79 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.872 HD13 HD21 ' A' ' 841' ' ' LEU . 12.5 tp -158.63 141.58 14.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -100.81 121.19 41.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.555 HG21 HD12 ' A' ' 816' ' ' ILE . 3.4 mm -118.28 146.06 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 854' ' ' TYR . 5.7 ttt-85 -115.07 141.72 47.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.539 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -94.52 143.85 26.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.621 179.825 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.539 ' H ' HD13 ' A' ' 853' ' ' LEU . 64.2 m-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.186 -0.912 . . . . 0.0 111.194 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.752 0.311 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.2 mp -135.78 129.26 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.08 135.8 42.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.624 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.42 104.23 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.545 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 765' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 10.4 mtp180 -82.51 131.55 35.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.987 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 766' ' ' ILE . . . . . 0.533 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 2.1 mp -121.18 97.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 0.0 111.463 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 767' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 853' ' ' LEU . 13.5 t -77.69 120.8 23.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.853 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 33.5 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.913 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 120.75 0.31 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.533 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 3.1 mt -104.91 132.61 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 4.3 m-85 -102.32 159.55 15.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.996 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 34.6 p -123.19 107.59 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 14.0 tp -109.48 125.54 52.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.31 81.58 5.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.439 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.502 HG11 HD12 ' A' ' 794' ' ' LEU . 3.4 t -71.14 130.23 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -89.16 179.09 6.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.818 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -95.27 -21.18 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 788' ' ' VAL . . . . . 0.4 ' H ' HG22 ' A' ' 788' ' ' VAL . 4.2 m -85.54 28.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.41 ' CE3' HG13 ' A' ' 785' ' ' VAL . 13.2 m0 -111.76 178.79 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.077 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -130.72 -170.92 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.447 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -70.4 -49.69 46.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.74 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 792' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 796' ' ' MET . 38.9 t70 -66.31 -33.49 75.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -31.71 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.502 HD12 HG11 ' A' ' 785' ' ' VAL . 1.4 tt -74.69 -51.15 15.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.823 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 2.9 tp -61.15 -29.93 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 796' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 792' ' ' ASP . 0.3 OUTLIER -74.36 -38.5 63.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.793 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.33 -52.55 57.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.1 mt -58.67 -35.46 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.394 179.515 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.879 0.371 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.9 93.19 0.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 17.7 pt -120.69 146.71 25.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.57 ' HG2' ' HA ' ' A' ' 827' ' ' VAL . 11.4 mttt -109.97 136.71 48.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.04 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 23.9 p90 -112.94 147.25 37.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.506 ' O ' HD11 ' A' ' 849' ' ' LEU . 35.6 tt0 -73.77 147.32 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.052 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -113.27 -164.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -70.53 -32.17 69.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.17 -5.59 47.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 86.89 -11.4 64.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.32 169.83 17.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.347 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -108.01 115.73 30.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.696 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.66 152.48 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.57 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 2.6 t -71.99 151.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.416 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.707 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.5 OUTLIER -141.4 98.83 3.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.726 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -140.71 33.63 2.03 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.3 149.59 27.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -58.47 -33.14 69.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.8 tp10 -66.55 -36.59 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.707 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.6 OUTLIER -60.53 -49.14 78.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.729 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -62.18 -29.74 70.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.404 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -67.39 -48.82 66.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.598 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 832' ' ' GLU . 21.1 t -66.83 -30.23 48.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.749 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.42 97.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.601 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -65.81 -45.24 83.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.486 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.69 -27.12 69.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.621 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 48.2 ttp -65.0 -55.23 20.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.491 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.611 HD21 HD13 ' A' ' 849' ' ' LEU . 5.7 mt -68.05 -13.8 62.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.619 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.58 -50.2 11.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -83.89 -1.47 54.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.927 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.6 m120 -112.72 -0.49 15.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.7 m120 57.09 20.63 5.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.528 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 2.3 mm-40 -66.76 179.77 1.02 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.69 -28.04 0.35 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -129.37 168.22 16.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.833 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.611 HD13 HD21 ' A' ' 841' ' ' LEU . 12.3 tp -153.77 125.25 7.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 0.406 ' O ' HD13 ' A' ' 851' ' ' ILE . 7.1 m120 -78.09 136.62 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 850' ' ' ASN . 22.9 mm -123.27 145.88 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.23 135.71 50.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.698 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.504 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -90.96 147.46 23.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.504 ' H ' HD13 ' A' ' 853' ' ' LEU . 87.3 m-85 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.063 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 761' ' ' SER . . . . . 0.436 ' C ' HG13 ' A' ' 762' ' ' ILE . 4.5 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.047 0.451 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 762' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 761' ' ' SER . 18.4 mt -142.11 131.71 23.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.018 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 763' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 763' ' ' LEU . 0.2 OUTLIER -76.12 94.76 3.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 179.588 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 764' ' ' PHE . . . . . 0.471 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -90.65 95.59 10.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.316 -179.452 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 765' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 33.7 mtt180 -73.49 134.58 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.369 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 766' ' ' ILE . . . . . . . . . . . . . 1.5 mt -125.55 98.62 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.791 0.329 . . . . 0.0 111.419 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 2.1 t -87.38 82.7 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.895 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.672 0.273 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 12.7 mt -94.35 124.52 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 28.5 m-85 -96.23 177.76 5.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.757 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 48.0 p -138.71 90.98 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.038 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 50.9 tp -99.12 114.55 27.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.029 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.46 85.68 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.737 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.471 HG23 ' HB2' ' A' ' 764' ' ' PHE . 3.7 t -77.17 146.89 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.143 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.11 170.6 9.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -91.74 -22.18 20.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 29.8 m -90.89 25.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -101.35 -178.64 3.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.181 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -130.14 -164.59 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.55 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -77.56 -49.95 13.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.776 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 792' ' ' ASP . . . . . 0.401 ' O ' HG22 ' A' ' 795' ' ' ILE . 3.2 p30 -62.62 -37.36 85.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -68.45 -27.25 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 2.4 tt -71.23 -49.79 39.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.799 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.58 ' HA ' HD12 ' A' ' 798' ' ' ILE . 1.0 OUTLIER -67.04 -21.35 28.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.35 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 7.8 tpp -73.2 -48.64 33.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.148 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.08 95.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 795' ' ' ILE . 18.9 mt -59.86 -46.97 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.913 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.84 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.761 0.315 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.66 143.96 46.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.38 . . . . 0.0 111.197 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 2.4 pt -146.58 149.36 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.789 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.682 ' HE3' HG22 ' A' ' 827' ' ' VAL . 15.9 mttp -109.16 125.54 52.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.993 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.428 ' HD1' ' HB2' ' A' ' 828' ' ' LEU . 27.6 p90 -97.76 138.52 35.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.474 ' O ' HD11 ' A' ' 849' ' ' LEU . 15.8 tt0 -72.22 126.51 29.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.59 -177.03 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.8 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -71.89 -5.1 32.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.93 11.61 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 69.83 16.84 72.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.581 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.24 116.01 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.756 0.313 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.449 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 53.0 m-85 -64.56 125.02 23.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.983 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.22 153.97 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.682 HG22 ' HE3' ' A' ' 817' ' ' LYS . 3.4 t -64.78 151.51 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.213 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -145.25 94.84 2.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.71 179.751 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -140.32 41.79 1.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 3.6 t -157.3 160.55 38.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -38.12 76.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.801 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.0 OUTLIER -66.08 -34.06 77.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.711 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.498 ' HB3' HD12 ' A' ' 828' ' ' LEU . 3.9 m-20 -59.83 -45.42 92.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.7 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -62.42 -38.33 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.508 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -60.11 -45.86 91.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.786 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 832' ' ' GLU . 13.9 t -63.31 -31.9 54.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.739 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.69 92.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.656 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -65.45 -41.88 92.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.48 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.79 -28.69 67.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.575 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.456 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.6 ttm -63.29 -46.97 84.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.604 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.8 HD21 HD13 ' A' ' 849' ' ' LEU . 2.2 mt -78.47 -14.37 59.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.722 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -79.26 -32.87 43.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.343 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -102.02 6.39 41.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.7 m-80 -127.78 -1.34 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.11 14.92 3.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 841' ' ' LEU . 1.5 mt-10 -66.74 122.22 17.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.651 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.65 15.05 30.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -155.75 169.63 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.8 HD13 HD21 ' A' ' 841' ' ' LEU . 11.7 tp -156.96 122.63 4.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -83.87 121.63 27.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 851' ' ' ILE . . . . . . . . . . . . . 10.1 mm -114.41 142.23 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -108.84 139.67 43.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.428 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -88.08 155.53 19.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.966 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.433 ' HE2' ' HB2' ' A' ' 817' ' ' LYS . 95.8 m-85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.801 0.334 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.2 mp -124.7 125.86 70.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.72 102.22 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.779 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 764' ' ' PHE . . . . . 0.46 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -93.21 108.68 20.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.141 -179.655 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 765' ' ' ARG . . . . . 0.415 ' HB3' HG21 ' A' ' 780' ' ' ILE . 36.9 mtp85 -83.94 128.99 34.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.223 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 766' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 3.2 mt -119.84 95.65 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.832 0.348 . . . . 0.0 111.374 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 767' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 853' ' ' LEU . 2.0 p -67.15 134.13 51.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.744 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.785 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.76 0.314 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 10.5 mt -106.77 114.92 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.489 ' HB2' HD12 ' A' ' 766' ' ' ILE . 8.5 m-85 -83.06 156.33 23.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 46.9 p -125.19 113.8 18.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.58 134.51 54.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.032 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.5 81.85 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.52 HG13 ' CE3' ' A' ' 789' ' ' TRP . 14.9 t -66.27 140.76 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.275 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.52 146.16 26.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.994 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -69.83 -18.6 63.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.71 -2.4 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.52 ' CE3' HG13 ' A' ' 785' ' ' VAL . 13.7 m0 -82.84 -171.89 3.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.974 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.12 -168.09 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.79 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -70.94 -52.95 16.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -65.14 -39.43 93.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.177 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -67.22 -34.21 76.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.066 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.52 HD12 HG11 ' A' ' 785' ' ' VAL . 0.4 OUTLIER -69.15 -53.3 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.973 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.716 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.7 OUTLIER -59.73 -26.08 34.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.273 -179.75 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 2.3 mtt -71.95 -40.2 68.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.763 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.44 77.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.05 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 795' ' ' ILE . 22.7 mt -66.03 -49.36 77.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.943 0.402 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.08 127.96 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.414 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 6.3 pt -125.71 143.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 851' ' ' ILE . 6.2 mttt -104.12 116.69 32.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.4 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 30.9 p90 -100.61 150.4 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -71.59 144.92 49.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 824' ' ' ASP . 0.7 OUTLIER -96.78 -166.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.968 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.44 -46.24 70.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -8.13 58.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.017 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 96.12 30.76 7.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 820' ' ' ASP . 0.3 OUTLIER -105.79 124.14 49.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -67.67 124.62 23.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.763 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 826' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 817' ' ' LYS . 0.0 OUTLIER -124.07 153.96 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.436 HG13 ' OH ' ' A' ' 854' ' ' TYR . 6.5 t -71.53 150.34 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.34 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -143.68 98.06 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.714 179.791 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -137.68 29.2 2.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.556 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 41.8 m -141.52 160.18 40.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.926 0.393 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -40.33 89.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 836' ' ' VAL . 14.9 tt0 -66.02 -32.48 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.025 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.409 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.3 OUTLIER -60.74 -51.37 69.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -61.75 -32.81 73.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -63.05 -54.21 41.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.601 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 832' ' ' GLU . 26.8 t -60.8 -27.88 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.775 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.8 95.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.771 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -63.35 -37.86 88.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.397 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -68.2 -33.67 74.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.475 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 3.0 ttm -60.25 -53.12 61.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.798 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.752 HD21 HD13 ' A' ' 849' ' ' LEU . 3.5 mt -74.68 -12.57 60.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -74.39 -56.36 4.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.529 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -77.0 -19.69 56.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.301 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.9 m-80 -92.97 2.0 57.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.076 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.24 16.56 4.04 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.611 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 1.5 mm-40 -74.04 130.13 39.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.24 10.65 21.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.981 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -148.63 170.65 17.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.752 HD13 HD21 ' A' ' 841' ' ' LEU . 14.7 tp -162.67 141.54 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -96.15 129.7 43.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 5.7 mm -121.32 148.24 24.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -115.01 139.77 49.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 767' ' ' SER . 0.2 OUTLIER -89.85 19.98 4.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.037 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.436 ' OH ' HG13 ' A' ' 827' ' ' VAL . 3.1 m-85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.996 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.922 0.392 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.3 mt -135.62 132.23 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 130.09 38.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.769 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 764' ' ' PHE . . . . . 0.454 ' CE2' HD11 ' A' ' 794' ' ' LEU . 0.1 OUTLIER -118.39 105.96 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.023 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -81.08 133.4 35.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 766' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 781' ' ' PHE . 3.4 mt -126.44 104.5 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.258 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 9.5 t -76.12 96.04 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 90.9 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.747 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.863 0.364 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.8 mt -83.11 110.95 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.247 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.487 ' HB2' HD12 ' A' ' 766' ' ' ILE . 26.5 m-85 -84.68 148.76 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 76.7 p -117.91 119.76 35.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.981 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 2.5 mt -122.05 124.16 43.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.75 73.93 7.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.346 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.436 HG11 HD12 ' A' ' 794' ' ' LEU . 2.1 t -64.25 108.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.379 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.0 177.56 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -91.9 -23.29 19.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 20.7 m -80.77 11.69 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.427 ' CE3' HG13 ' A' ' 785' ' ' VAL . 8.7 m0 -91.99 -173.72 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -142.28 -167.83 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.419 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -73.14 -53.28 11.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.766 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -61.26 -33.7 73.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.051 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -28.71 63.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.532 HD21 HD11 ' A' ' 816' ' ' ILE . 0.8 OUTLIER -71.12 -51.95 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 4.0 tp -63.84 -25.21 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.264 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 3.0 ttm -73.25 -37.64 66.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.27 -49.16 72.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.297 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 7.9 mt -59.29 -45.72 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.366 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.822 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.951 0.405 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -156.44 116.98 3.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.532 HD11 HD21 ' A' ' 794' ' ' LEU . 21.5 pt -131.92 159.21 43.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.529 ' NZ ' HG22 ' A' ' 827' ' ' VAL . 5.1 mttm -117.92 126.2 51.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -100.28 148.61 24.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.466 ' O ' HD11 ' A' ' 849' ' ' LEU . 17.1 tt0 -78.09 142.72 37.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -102.4 -170.81 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -68.87 -21.08 64.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.42 -30.21 37.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 109.73 6.69 28.4 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.549 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -103.56 152.58 21.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -85.09 120.84 27.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.75 152.33 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.831 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.529 HG22 ' NZ ' ' A' ' 817' ' ' LYS . 3.9 t -70.47 149.79 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.365 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.567 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.7 OUTLIER -137.61 87.12 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.691 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -131.13 34.71 2.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.632 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.91 153.79 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.729 0.299 . . . . 0.0 110.761 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.68 -34.43 77.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 836' ' ' VAL . 2.1 tt0 -66.88 -32.85 74.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.567 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -60.28 -51.25 70.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.71 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.458 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 36.4 t-105 -62.18 -30.83 71.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.441 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -65.23 -53.97 36.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.634 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 832' ' ' GLU . 23.0 t -60.78 -30.4 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.81 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.73 99.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.837 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 6.8 mtmt -64.24 -39.08 93.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.506 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.15 -23.84 61.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.578 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.1 ttm -67.44 -44.57 78.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.637 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.502 HD21 HD13 ' A' ' 849' ' ' LEU . 1.6 mt -81.52 -16.06 52.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.729 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.85 -40.69 65.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.47 19.34 13.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.6 OUTLIER -136.7 -0.42 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.85 25.45 10.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.78 130.69 35.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.06 5.68 22.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.087 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -151.61 170.51 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.502 HD13 HD21 ' A' ' 841' ' ' LEU . 12.0 tp -156.98 135.56 11.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -85.12 117.85 24.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.488 HG21 HD12 ' A' ' 816' ' ' ILE . 3.6 mm -118.15 144.14 27.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.246 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -116.99 136.78 52.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.502 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.466 ' HG ' ' H ' ' A' ' 854' ' ' TYR . 17.6 tp -86.46 165.83 15.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.766 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.466 ' H ' ' HG ' ' A' ' 853' ' ' LEU . 94.3 m-85 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.19 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 761' ' ' SER . . . . . 0.404 ' HB2' ' HG ' ' A' ' 784' ' ' LEU . 33.2 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.772 0.32 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 15.3 mt -128.82 136.76 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 7.9 tp -94.58 80.68 3.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.592 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.02 116.21 9.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.218 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 765' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 11.5 mtp85 -94.13 128.49 40.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.402 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 766' ' ' ILE . . . . . 0.561 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 3.3 mt -117.13 99.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.843 0.354 . . . . 0.0 111.431 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 6.2 t -85.31 113.12 21.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.725 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 33.0 t80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.561 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 3.7 mt -104.91 114.43 44.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.027 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.499 ' HB2' HD12 ' A' ' 766' ' ' ILE . 8.1 m-85 -83.46 172.57 12.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 67.2 p -135.13 101.46 4.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.888 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 783' ' ' LEU . . . . . 0.421 HD21 ' HB1' ' A' ' 797' ' ' ALA . 0.2 OUTLIER -97.99 131.32 44.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.126 -179.686 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 784' ' ' LEU . . . . . 0.404 ' HG ' ' HB2' ' A' ' 761' ' ' SER . 4.2 tp -84.03 68.65 10.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.538 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.606 HG11 HD12 ' A' ' 794' ' ' LEU . 2.3 t -66.46 123.34 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.75 171.29 10.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 787' ' ' LYS . . . . . 0.651 ' HG2' ' HD2' ' A' ' 838' ' ' LYS . 60.3 mttt -87.04 -15.5 38.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 17.3 m -90.4 24.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.418 ' CE3' HG13 ' A' ' 785' ' ' VAL . 9.7 m0 -106.69 -173.7 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -134.7 178.3 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.748 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -64.9 -48.03 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 792' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 795' ' ' ILE . 3.9 p-10 -66.41 -45.36 80.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -25.65 68.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.606 HD12 HG11 ' A' ' 785' ' ' VAL . 1.6 tt -71.34 -53.45 14.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.839 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.6 OUTLIER -62.18 -28.45 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.36 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 1.4 mtm -68.92 -41.37 78.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 797' ' ' ALA . . . . . 0.421 ' HB1' HD21 ' A' ' 783' ' ' LEU . . . -64.1 -39.26 93.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 795' ' ' ILE . 11.8 mt -61.53 -39.57 83.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.687 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -136.54 141.34 43.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.77 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 1.4 pt -139.61 142.13 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.241 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 851' ' ' ILE . 52.1 mttt -99.88 123.34 44.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.522 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.43 ' HB2' ' CD2' ' A' ' 849' ' ' LEU . 35.5 p90 -107.37 147.15 30.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.944 0.402 . . . . 0.0 111.123 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -71.39 126.86 30.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -89.43 177.46 6.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -30.27 70.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.48 -12.54 60.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 89.32 24.59 30.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.425 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.18 139.02 54.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 111.013 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -68.73 127.25 32.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.588 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.95 149.66 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 12.2 t -73.84 144.06 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.303 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.5 OUTLIER -137.27 101.47 4.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.722 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -137.89 34.65 2.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.538 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.8 161.17 42.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -43.66 85.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.709 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.0 OUTLIER -62.69 -35.2 78.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.74 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.561 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -59.53 -35.37 74.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.449 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -72.93 -35.75 67.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.437 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -63.39 -41.61 98.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.545 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 832' ' ' GLU . 43.5 t -65.82 -36.3 77.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.727 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.26 87.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.802 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.651 ' HD2' ' HG2' ' A' ' 787' ' ' LYS . 26.3 mtmt -67.56 -42.43 82.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.457 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.72 -18.56 63.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.471 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.8 ttm -74.55 -45.12 47.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.582 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.761 HD21 HD13 ' A' ' 849' ' ' LEU . 6.5 mt -81.36 -15.33 55.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.561 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.04 -55.61 11.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -73.32 -36.73 66.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -73.98 -4.5 35.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 56.05 26.26 9.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.722 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.53 178.84 2.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.039 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -155.11 12.39 0.36 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -160.72 179.05 8.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.761 HD13 HD21 ' A' ' 841' ' ' LEU . 9.9 tp -166.05 155.29 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 0.417 ' O ' HD13 ' A' ' 851' ' ' ILE . 3.7 t-20 -107.49 135.04 49.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.717 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.519 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 22.2 mm -122.91 138.61 52.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.386 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 852' ' ' ARG . 0.9 OUTLIER -112.94 138.75 49.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.509 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.6 158.49 28.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.038 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.494 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.5 m-85 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.888 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.824 0.345 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.6 132.49 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 763' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 848' ' ' PHE . 0.7 OUTLIER -79.16 112.41 16.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.886 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 764' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 782' ' ' THR . 0.1 OUTLIER -96.67 127.67 42.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.979 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -102.13 125.53 48.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.593 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 766' ' ' ILE . . . . . 0.641 HD11 HD23 ' A' ' 783' ' ' LEU . 1.0 OUTLIER -122.02 98.32 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.801 0.334 . . . . 0.0 111.317 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.87 91.78 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 78.0 t80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.883 0.373 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 13.4 mt -82.02 127.23 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.339 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.414 ' O ' HD12 ' A' ' 766' ' ' ILE . 9.1 m-85 -103.98 142.88 33.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.618 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 782' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' ' 764' ' ' PHE . 62.1 p -119.77 110.18 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 783' ' ' LEU . . . . . 0.641 HD23 HD11 ' A' ' 766' ' ' ILE . 0.8 OUTLIER -119.95 154.76 33.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.013 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 1.9 mp -85.56 102.06 13.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.023 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.432 ' CG2' ' HB2' ' A' ' 764' ' ' PHE . 6.4 t -88.6 117.66 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -68.97 165.63 19.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -92.82 -21.31 19.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.793 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 28.0 m -83.3 2.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.407 ' CE3' HG13 ' A' ' 785' ' ' VAL . 21.2 m0 -78.25 -165.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.121 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -146.03 -164.59 2.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.435 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 791' ' ' PHE . . . . . 0.401 ' CZ ' ' HA2' ' A' ' 829' ' ' GLY . 42.0 t80 -76.06 -48.08 22.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 110.646 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 792' ' ' ASP . . . . . 0.402 ' O ' HG22 ' A' ' 795' ' ' ILE . 9.4 t70 -66.13 -41.21 90.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -28.02 67.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.695 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 2.4 tt -70.62 -53.66 15.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.684 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.605 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -61.97 -25.46 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.01 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -37.55 63.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.37 97.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 795' ' ' ILE . 5.3 mt -68.51 -34.27 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.755 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.745 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.929 0.395 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -163.13 123.54 2.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.728 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 4.4 pt -138.63 137.13 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.454 ' HB2' ' HE1' ' A' ' 854' ' ' TYR . 0.6 OUTLIER -101.59 119.83 39.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.005 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 22.2 p90 -103.68 146.94 27.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.021 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -77.59 139.79 39.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -102.29 -168.66 1.56 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.02 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -19.71 63.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 822' ' ' ASP . . . . . 0.459 ' HB3' ' OD2' ' A' ' 824' ' ' ASP . 0.1 OUTLIER -88.57 -3.86 58.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.008 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 83.09 -7.34 67.36 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.569 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 824' ' ' ASP . . . . . 0.459 ' OD2' ' HB3' ' A' ' 822' ' ' ASP . 0.2 OUTLIER -86.75 136.9 32.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -73.53 125.17 27.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.86 157.53 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.007 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 2.7 t -76.79 155.28 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.614 HD12 ' HB3' ' A' ' 833' ' ' ASP . 7.5 tp -141.6 107.72 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 829' ' ' GLY . . . . . 0.401 ' HA2' ' CZ ' ' A' ' 791' ' ' PHE . . . -157.13 43.18 0.52 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.635 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 1.1 m -160.28 154.03 22.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.764 0.316 . . . . 0.0 110.971 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -35.43 80.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.0 OUTLIER -70.49 -38.29 74.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.795 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.614 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -57.24 -39.82 76.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.837 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -69.69 -37.38 76.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -60.53 -42.92 97.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.676 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 832' ' ' GLU . 21.8 t -68.81 -30.37 46.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.796 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -62.41 -42.73 99.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.783 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -64.53 -43.6 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.547 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.46 ' OE1' ' HA ' ' A' ' 836' ' ' VAL . 33.7 mt-10 -64.06 -27.91 69.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.595 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.3 ttm -66.78 -42.74 85.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.683 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.614 HD21 HD13 ' A' ' 849' ' ' LEU . 2.9 mt -83.43 -16.62 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.725 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.96 -36.39 41.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.227 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -93.31 -1.76 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -123.84 0.05 8.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 6.8 m120 56.87 22.45 7.09 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.534 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 3.2 mt-10 -68.39 127.01 31.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.016 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -110.89 15.18 21.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 763' ' ' LEU . 21.5 p90 -154.79 156.82 36.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.614 HD13 HD21 ' A' ' 841' ' ' LEU . 9.0 tp -148.43 124.8 10.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -83.24 117.03 22.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 851' ' ' ILE . . . . . . . . . . . . . 2.6 mm -117.02 141.85 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.234 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.65 134.47 54.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.395 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 854' ' ' TYR . 16.6 tp -84.83 163.84 18.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 111.069 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.454 ' HE1' ' HB2' ' A' ' 817' ' ' LYS . 89.7 m-85 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.151 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 761' ' ' SER . . . . . 0.547 ' HB2' HD23 ' A' ' 784' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.756 0.312 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 7.2 mt -113.95 123.63 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 763' ' ' LEU . . . . . 0.711 HD21 HG22 ' A' ' 782' ' ' THR . 2.4 tt -71.03 122.32 19.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.767 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.0 109.36 18.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 765' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 64.2 mtt180 -86.25 129.86 34.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.638 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 766' ' ' ILE . . . . . 0.435 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 2.0 mp -125.02 106.07 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.307 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 10.0 p -71.45 98.52 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 768' ' ' TYR . . . . . 0.617 ' HB3' ' HB2' ' A' ' 779' ' ' GLU . 88.7 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 779' ' ' GLU . . . . . 0.617 ' HB2' ' HB3' ' A' ' 768' ' ' TYR . 3.7 mm-40 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.779 0.324 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 30.2 mt -75.92 115.75 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.021 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 30.7 m-85 -88.58 153.05 21.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.043 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 782' ' ' THR . . . . . 0.711 HG22 HD21 ' A' ' 763' ' ' LEU . 33.5 p -124.29 83.46 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 6.5 tp -97.78 116.0 29.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 784' ' ' LEU . . . . . 0.547 HD23 ' HB2' ' A' ' 761' ' ' SER . 4.7 mp -74.36 84.01 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.76 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.883 HG11 HD12 ' A' ' 794' ' ' LEU . 2.8 t -72.11 115.48 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.004 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.66 166.15 17.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -83.35 -26.63 30.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 18.2 m -74.97 3.7 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -87.88 -170.89 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.107 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -138.83 -168.1 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.511 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -74.08 -56.25 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.818 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -59.44 -38.68 81.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.52 -30.66 71.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.783 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.883 HD12 HG11 ' A' ' 785' ' ' VAL . 1.7 tt -68.8 -57.55 5.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.793 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.46 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.4 OUTLIER -59.88 -20.55 19.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.415 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 4.6 ttm -72.48 -48.69 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.101 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.85 84.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.41 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 795' ' ' ILE . 11.1 mt -57.96 -48.52 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.289 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.096 0 CA-C-O 120.632 0.254 . . . . 0.0 111.492 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.32 130.7 0.37 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.97 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.406 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 6.8 pt -146.49 144.06 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.975 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.588 ' HE2' HG22 ' A' ' 827' ' ' VAL . 10.0 mttt -108.19 122.51 47.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.425 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 30.9 p90 -100.21 143.3 30.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.058 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -68.52 123.28 20.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -85.58 -169.93 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.967 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.76 -33.09 66.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -78.31 2.72 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.2 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 79.41 1.3 85.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.44 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -95.42 128.68 42.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.8 0.333 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.53 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 82.8 m-85 -67.6 126.27 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.619 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.36 149.64 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.588 HG22 ' HE2' ' A' ' 817' ' ' LYS . 8.9 t -70.91 146.98 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.412 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.7 OUTLIER -134.28 95.25 3.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.685 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.76 31.23 2.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.546 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.97 156.92 42.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -43.6 98.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.41 -34.97 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.565 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -60.8 -37.99 83.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.427 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -71.37 -32.55 68.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.368 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -63.59 -44.16 94.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.779 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 46.2 t -69.61 -30.66 45.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -62.71 -44.9 95.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.8 -48.07 72.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.646 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -26.41 68.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.544 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.7 ttm -63.07 -59.93 4.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.752 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.658 HD21 HD13 ' A' ' 849' ' ' LEU . 4.5 mt -67.0 -12.79 60.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.59 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.41 -46.31 55.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -82.58 -13.95 55.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -103.61 -4.32 24.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.991 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 11.1 m120 54.8 32.02 16.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.616 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.54 176.05 5.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.076 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.06 2.54 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.173 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -153.29 169.24 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.658 HD13 HD21 ' A' ' 841' ' ' LEU . 10.9 tp -154.92 136.02 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -90.43 113.95 25.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.406 ' CG2' ' HB ' ' A' ' 816' ' ' ILE . 3.1 mm -114.26 134.43 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.174 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -106.13 137.91 43.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.526 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 854' ' ' TYR . 20.5 tp -86.34 164.47 17.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.815 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.476 ' N ' ' HG ' ' A' ' 853' ' ' LEU . 88.7 m-85 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.005 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.811 0.339 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.92 143.33 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.19 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.98 104.51 16.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.744 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 764' ' ' PHE . . . . . 0.476 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -95.33 117.41 30.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -93.74 126.13 38.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.544 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 766' ' ' ILE . . . . . 0.63 HD13 HG23 ' A' ' 798' ' ' ILE . 6.0 mt -120.02 97.66 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.331 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.15 104.14 7.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.687 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.878 0.371 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 12.8 mt -79.62 108.26 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -82.85 134.61 35.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 78.3 p -109.15 85.96 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.059 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 6.5 tp -98.05 122.92 41.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.09 83.13 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.753 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.771 HG11 HD12 ' A' ' 794' ' ' LEU . 12.8 t -68.61 117.27 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -67.99 152.29 45.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.759 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.93 -13.92 59.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 26.6 m -94.11 18.58 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.513 ' CE3' HG13 ' A' ' 785' ' ' VAL . 15.2 m0 -98.83 177.71 5.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.89 -179.4 4.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.686 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -61.38 -57.23 13.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -41.69 93.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.039 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.72 -23.02 66.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.771 HD12 HG11 ' A' ' 785' ' ' VAL . 0.8 OUTLIER -76.13 -51.08 12.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.956 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.619 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -66.37 -27.68 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.217 -179.747 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 3.9 mtm -72.1 -39.62 68.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.07 97.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.63 HG23 HD13 ' A' ' 766' ' ' ILE . 27.2 mt -59.96 -53.02 54.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.214 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.769 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.25 147.24 17.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.99 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.435 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 5.6 pt -141.62 141.27 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.422 ' HG2' ' HA ' ' A' ' 827' ' ' VAL . 7.2 mttt -100.62 123.86 45.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.148 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.478 ' HD1' ' HB2' ' A' ' 828' ' ' LEU . 34.8 p90 -102.54 148.01 26.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.572 ' O ' HD11 ' A' ' 849' ' ' LEU . 4.0 tt0 -73.8 128.01 34.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.759 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.37 -168.63 1.18 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.747 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -0.28 49.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -117.96 9.2 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 78.24 10.77 85.96 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.461 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.52 117.61 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 110.966 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -61.73 132.93 54.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.03 152.38 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.422 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 7.0 t -70.63 145.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.271 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.478 ' HB2' ' HD1' ' A' ' 818' ' ' TYR . 4.0 tp -132.49 96.09 3.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.749 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -141.12 19.05 2.69 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.557 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 830' ' ' SER . . . . . 0.411 ' HB2' ' OD1' ' A' ' 833' ' ' ASP . 14.7 m -134.63 153.44 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.336 . . . . 0.0 110.803 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.58 -42.63 91.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -30.91 71.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.452 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -63.43 -45.02 92.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.819 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.423 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 34.2 t-105 -65.0 -35.74 82.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.708 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.508 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 2.2 m-80 -61.81 -52.86 62.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.41 -34.78 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.0 83.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.508 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 3.4 mtmt -65.03 -45.49 85.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.706 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.16 -23.55 66.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.724 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 3.0 ttm -69.08 -55.07 11.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.712 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.696 HD21 HD13 ' A' ' 849' ' ' LEU . 2.8 mt -75.44 -9.34 58.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.051 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.36 -49.62 13.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.281 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.65 1.49 49.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.13 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.5 OUTLIER -117.89 -7.61 10.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.086 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 7.3 m120 54.96 29.29 11.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.739 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -52.24 65.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.122 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.34 17.05 7.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.367 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -165.46 161.12 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.683 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.696 HD13 HD21 ' A' ' 841' ' ' LEU . 9.7 tp -161.24 140.44 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.39 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.12 120.43 31.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.708 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.443 HG13 ' CD2' ' A' ' 764' ' ' PHE . 4.2 mm -116.97 142.69 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.34 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -108.79 135.22 50.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.757 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -89.26 140.65 29.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.513 ' N ' HD13 ' A' ' 853' ' ' LEU . 91.4 m-85 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.074 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 762' ' ' ILE . . . . . 0.516 HG21 HD13 ' A' ' 841' ' ' LEU . 2.0 mp -122.11 131.92 72.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 763' ' ' LEU . . . . . 0.489 HD11 ' HB ' ' A' ' 782' ' ' THR . 0.6 OUTLIER -76.77 106.85 8.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.808 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.93 126.6 37.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 765' ' ' ARG . . . . . 0.543 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 3.7 mtt85 -102.37 133.35 47.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.627 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 766' ' ' ILE . . . . . 0.668 HD12 ' HB2' ' A' ' 781' ' ' PHE . 4.2 mt -124.17 97.31 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 111.239 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 32.6 p -78.22 79.9 4.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 82.2 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.709 179.841 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.743 0.306 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.486 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.2 mt -103.97 122.04 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.01 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.668 ' HB2' HD12 ' A' ' 766' ' ' ILE . 19.6 m-85 -85.57 159.33 19.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 782' ' ' THR . . . . . 0.489 ' HB ' HD11 ' A' ' 763' ' ' LEU . 66.6 p -138.66 94.5 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.81 151.45 37.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.0 mp -86.76 123.94 32.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.652 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 3.1 t -108.13 118.52 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -71.6 163.73 27.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -85.83 -23.74 27.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 16.4 m -79.21 7.64 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -82.85 -166.19 1.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.158 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -148.6 -171.74 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.536 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -70.5 -47.34 60.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.816 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 792' ' ' ASP . . . . . 0.41 ' O ' HG22 ' A' ' 795' ' ' ILE . 3.7 t0 -67.65 -41.06 84.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -65.71 -30.76 71.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.939 0.4 . . . . 0.0 110.615 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -55.64 10.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.836 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.793 ' HA ' HD12 ' A' ' 798' ' ' ILE . 1.5 tp -60.21 -23.21 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -51.75 49.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.656 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -59.03 -36.17 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.688 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.793 HD12 ' HA ' ' A' ' 795' ' ' ILE . 25.1 mt -66.44 -38.84 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.915 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.793 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.741 0.305 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.35 108.8 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.469 HD12 HG21 ' A' ' 851' ' ' ILE . 5.9 pt -128.53 153.05 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.019 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.481 ' NZ ' HG22 ' A' ' 827' ' ' VAL . 13.2 mttp -111.6 119.8 39.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.21 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.514 ' HB2' HD21 ' A' ' 849' ' ' LEU . 31.8 p90 -97.02 144.7 26.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.411 ' O ' HD11 ' A' ' 849' ' ' LEU . 9.8 tt0 -76.75 109.19 10.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.04 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.12 171.57 8.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.765 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 821' ' ' GLU . . . . . 0.486 ' HB3' ' HG2' ' A' ' 840' ' ' MET . 2.0 pt-20 -67.43 -12.65 60.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.978 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -85.15 0.92 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 73.96 28.69 64.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.348 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.34 134.45 41.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -69.18 126.34 29.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.85 152.82 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.481 HG22 ' NZ ' ' A' ' 817' ' ' LYS . 2.7 t -72.28 142.97 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.493 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.4 OUTLIER -137.72 95.04 2.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -135.57 17.06 4.01 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.479 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 14.2 m -130.1 166.94 19.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.763 0.316 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -70.23 -47.08 62.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.39 -28.18 69.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.747 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.493 ' HB3' HD12 ' A' ' 828' ' ' LEU . 1.0 OUTLIER -63.66 -38.88 92.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.614 179.81 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -72.4 -34.29 67.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.608 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -62.83 -48.44 79.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.652 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.11 -33.36 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.857 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.63 -42.59 88.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.783 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -63.97 -42.69 97.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.558 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.06 -29.66 70.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.492 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.486 ' HG2' ' HB3' ' A' ' 821' ' ' GLU . 2.6 tmm? -64.09 -43.78 94.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.422 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.65 HD21 HD13 ' A' ' 849' ' ' LEU . 6.4 mt -74.47 -20.9 59.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.505 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -71.02 160.29 33.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.829 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 62.07 9.43 3.1 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.014 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -140.29 -3.13 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 56.47 26.97 11.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 23.9 mt-10 -67.81 98.95 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.633 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.27 29.01 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.038 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -159.79 160.61 34.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.65 HD13 HD21 ' A' ' 841' ' ' LEU . 13.9 tp -157.88 146.6 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -104.15 118.41 36.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.469 HG21 HD12 ' A' ' 816' ' ' ILE . 3.2 mm -118.2 138.46 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.085 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 852' ' ' ARG . . . . . 0.414 ' HB3' ' CE1' ' A' ' 854' ' ' TYR . 0.1 OUTLIER -104.57 139.55 39.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.651 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.566 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -90.37 144.4 25.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.566 ' H ' HD13 ' A' ' 853' ' ' LEU . 87.0 m-85 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.158 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.708 0.289 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 10.6 mt -132.01 126.72 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.43 119.76 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.591 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 764' ' ' PHE . . . . . 0.444 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -107.44 110.46 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 765' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 765' ' ' ARG . 23.3 mtt-85 -90.87 125.23 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.554 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 766' ' ' ILE . . . . . 0.587 HD13 HG23 ' A' ' 798' ' ' ILE . 3.0 mt -120.96 95.06 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.268 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.89 96.06 2.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.704 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 29.8 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.85 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.76 0.314 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.455 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 30.4 mt -79.96 104.43 8.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -82.92 140.11 33.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.996 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 75.8 p -111.99 103.92 12.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.971 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.9 125.67 54.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.73 78.8 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.634 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.754 HG11 HD12 ' A' ' 794' ' ' LEU . 3.6 t -67.81 115.05 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.229 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.75 169.08 18.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -87.43 -12.49 45.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 16.9 m -87.65 -3.06 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.522 ' HE3' HG13 ' A' ' 785' ' ' VAL . 14.8 m0 -81.37 -177.96 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.055 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -131.16 -165.71 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.733 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -75.05 -56.89 4.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.014 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.7 -37.86 85.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.991 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -31.24 72.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.754 HD12 HG11 ' A' ' 785' ' ' VAL . 1.1 tt -71.01 -56.12 6.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.533 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.8 OUTLIER -58.94 -29.39 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.363 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 14.5 ttm -76.97 -30.98 56.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.15 79.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.037 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.587 HG23 HD13 ' A' ' 766' ' ' ILE . 6.5 mt -72.21 -53.06 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.2 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 54.8 t30 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.753 0.311 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -157.75 137.74 12.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 22.1 pt -141.59 148.53 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 11.8 mttt -114.04 131.29 56.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.009 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.426 ' HB2' ' CD2' ' A' ' 849' ' ' LEU . 35.5 p90 -107.36 152.19 24.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.093 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.42 ' O ' HD11 ' A' ' 849' ' ' LEU . 4.4 tt0 -72.7 122.82 22.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -82.85 -165.84 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.87 -37.61 73.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.32 -2.49 35.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 87.04 -4.19 86.49 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.44 136.57 33.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.748 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.447 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 59.5 m-85 -71.02 124.05 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.806 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.38 157.78 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.433 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 2.8 t -69.47 149.38 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.231 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.865 HD12 ' HB3' ' A' ' 833' ' ' ASP . 3.8 tp -139.13 88.38 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.721 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -137.24 47.24 0.96 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.558 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 24.5 p -165.95 157.74 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -64.03 -41.5 97.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.8 tp10 -63.84 -34.88 78.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.865 ' HB3' HD12 ' A' ' 828' ' ' LEU . 1.1 m-20 -59.69 -38.74 82.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.739 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.464 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 30.1 t-105 -70.42 -34.85 72.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.503 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 835' ' ' ASN . . . . . 0.518 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 9.0 m120 -62.55 -47.95 81.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.795 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 832' ' ' GLU . 19.6 t -65.07 -28.94 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.955 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 840' ' ' MET . . . -62.8 -50.83 69.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.986 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.518 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 2.0 mtmp? -63.4 -47.18 83.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.717 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -26.48 67.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.627 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.404 ' HB3' ' O ' ' A' ' 837' ' ' ALA . 42.5 ttp -66.08 -49.07 68.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.6 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.733 HD21 HD13 ' A' ' 849' ' ' LEU . 3.9 mt -71.25 -14.47 62.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.554 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.69 -50.1 14.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.358 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -78.09 -10.14 59.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.31 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -107.69 2.18 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.064 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 56.61 22.67 6.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.484 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 10.1 mm-40 -67.71 -174.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.032 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.64 -29.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -130.67 -172.54 2.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.733 HD13 HD21 ' A' ' 841' ' ' LEU . 11.9 tp -164.1 148.78 10.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.794 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 0.426 ' O ' HD13 ' A' ' 851' ' ' ILE . 54.4 m-80 -98.21 128.11 44.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.953 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 850' ' ' ASN . 4.1 mm -125.63 137.26 58.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.195 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.47 141.53 47.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.56 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.5 ' HG ' ' N ' ' A' ' 854' ' ' TYR . 19.9 tp -88.57 163.75 15.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.5 ' N ' ' HG ' ' A' ' 853' ' ' LEU . 89.9 m-85 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.096 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.918 0.39 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 12.7 mt -134.17 137.97 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.212 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.48 131.11 34.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.513 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.95 96.94 5.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.315 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 765' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 26.3 mtt180 -78.9 132.47 36.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.357 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 766' ' ' ILE . . . . . 0.53 HD13 HG23 ' A' ' 798' ' ' ILE . 4.4 mt -119.64 106.55 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 111.434 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 767' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 779' ' ' GLU . 7.7 t -87.23 83.22 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.846 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 768' ' ' TYR . . . . . 0.405 ' HD1' HD22 ' A' ' 853' ' ' LEU . 65.8 t80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.8 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 779' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 767' ' ' SER . 13.1 mt-10 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.731 0.301 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 19.8 mt -130.22 111.95 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.523 ' HB2' HD12 ' A' ' 766' ' ' ILE . 7.1 m-85 -88.38 167.98 13.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.793 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 71.4 p -134.01 104.88 6.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.058 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 13.6 tp -109.65 129.09 55.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.79 83.37 8.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.624 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 794' ' ' LEU . 2.6 t -74.86 127.3 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.203 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.12 167.28 19.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -86.79 -21.74 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 27.2 m -86.17 22.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.964 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -98.52 -170.84 2.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.204 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -132.72 -162.62 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.554 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -85.79 -48.4 8.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.77 -35.33 79.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -69.87 -26.67 64.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.469 HD12 HG11 ' A' ' 785' ' ' VAL . 0.5 OUTLIER -72.76 -48.47 38.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.948 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.506 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.6 OUTLIER -67.22 -24.13 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.207 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -47.99 56.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.05 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.12 96.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.248 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.53 HG23 HD13 ' A' ' 766' ' ' ILE . 35.3 mt -58.0 -45.12 88.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.688 179.889 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.649 0.262 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.81 140.91 33.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 111.278 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.409 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 0.9 OUTLIER -131.58 143.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.85 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.548 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 8.2 mttt -93.17 107.78 19.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.159 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.508 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 30.6 p90 -97.17 136.61 37.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.561 ' O ' HD11 ' A' ' 849' ' ' LEU . 34.6 tt0 -62.19 127.44 31.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -84.43 -174.92 5.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.57 -23.46 63.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.988 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.48 -9.52 44.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 102.64 -25.1 28.7 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.68 124.24 23.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.455 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 88.8 m-85 -67.8 123.95 21.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.38 158.35 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.066 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 14.4 t -76.89 149.95 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.426 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.764 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.4 OUTLIER -137.76 113.9 10.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.726 179.803 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -152.94 33.7 0.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.11 162.99 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.32 -34.98 73.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.3 OUTLIER -71.11 -34.76 71.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.016 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.764 ' HB3' HD12 ' A' ' 828' ' ' LEU . 1.5 m-20 -60.35 -42.72 96.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.651 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 33.4 t-105 -67.81 -35.85 79.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.565 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -60.9 -50.66 72.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 832' ' ' GLU . 22.0 t -62.45 -29.41 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.7 99.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -63.55 -47.12 82.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.705 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.01 -31.47 71.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.78 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.443 ' HE1' ' O ' ' A' ' 819' ' ' GLN . 1.8 ttm -60.79 -47.41 86.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.647 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.71 HD21 HD13 ' A' ' 849' ' ' LEU . 2.2 mt -79.53 -8.75 59.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.778 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -77.75 -44.17 28.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.322 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -88.82 -20.34 24.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -93.52 -2.14 54.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.043 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.04 26.76 10.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -81.48 134.13 35.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 21.09 13.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.057 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -162.23 153.96 18.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.885 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.71 HD13 HD21 ' A' ' 841' ' ' LEU . 8.9 tp -148.04 130.68 15.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.109 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -88.86 127.27 35.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.696 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 9.5 mm -112.48 148.21 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.947 0.403 . . . . 0.0 111.317 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -121.33 123.65 42.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.559 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 853' ' ' LEU . 11.6 tp -67.85 165.07 18.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.548 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.3 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 761' ' ' SER . . . . . 0.403 ' O ' HG13 ' A' ' 762' ' ' ILE . 1.2 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.918 0.389 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 762' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 761' ' ' SER . 3.1 mt -141.26 138.28 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 763' ' ' LEU . . . . . 0.524 HD11 ' HB ' ' A' ' 782' ' ' THR . 0.2 OUTLIER -77.32 131.76 38.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.684 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 764' ' ' PHE . . . . . 0.448 ' CE2' HD11 ' A' ' 794' ' ' LEU . 0.1 OUTLIER -123.4 104.47 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.008 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -79.72 125.97 30.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.68 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 766' ' ' ILE . . . . . 0.81 HD13 HG23 ' A' ' 798' ' ' ILE . 10.4 mt -116.0 88.44 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 111.137 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 51.5 p -75.97 80.46 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 179.86 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.74 0.305 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 19.1 mt -85.54 120.38 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -105.52 122.06 45.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 782' ' ' THR . . . . . 0.524 ' HB ' HD11 ' A' ' 763' ' ' LEU . 43.2 p -82.61 129.28 34.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 783' ' ' LEU . . . . . 0.484 HD23 HG22 ' A' ' 785' ' ' VAL . 38.9 tp -125.19 139.87 53.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.2 70.21 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.694 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.484 HG22 HD23 ' A' ' 783' ' ' LEU . 1.9 t -65.04 140.28 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.173 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -101.16 163.83 12.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.727 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -79.2 -24.61 43.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 23.0 m -84.38 23.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -102.16 -177.67 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -132.19 -170.98 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.685 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -75.68 -49.58 17.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 792' ' ' ASP . . . . . 0.5 ' O ' HG22 ' A' ' 795' ' ' ILE . 2.0 p-10 -64.08 -40.12 95.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.999 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.56 -28.11 68.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.448 HD11 ' CE2' ' A' ' 764' ' ' PHE . 1.5 tt -69.01 -54.32 15.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 792' ' ' ASP . 0.4 OUTLIER -59.98 -27.02 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.27 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 17.7 ttp -70.1 -41.41 74.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.74 97.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.81 HG23 HD13 ' A' ' 766' ' ' ILE . 44.2 mt -62.01 -41.5 91.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.807 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.757 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.748 0.309 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -141.01 139.7 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.506 HD12 HG21 ' A' ' 851' ' ' ILE . 10.8 pt -138.01 156.93 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.023 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.474 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 4.9 mttp -111.14 124.84 52.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.028 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -106.51 145.57 31.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.526 ' O ' HD11 ' A' ' 849' ' ' LEU . 0.0 OUTLIER -68.36 121.87 17.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.975 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.95 -171.39 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.33 -17.18 58.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.73 -6.05 47.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.952 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 91.84 3.26 68.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.17 136.61 37.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.474 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 96.9 m-85 -73.98 124.7 26.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.19 158.82 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 4.9 t -79.74 141.44 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.287 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -127.88 108.86 11.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.795 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -150.65 38.54 0.87 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.641 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.61 149.39 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.74 0.305 . . . . 0.0 110.83 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -60.38 -30.06 69.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 836' ' ' VAL . 5.9 tt0 -72.29 -33.59 67.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.43 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -60.79 -47.6 85.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.653 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -64.38 -35.54 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -60.51 -54.7 42.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.663 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 832' ' ' GLU . 38.5 t -60.74 -29.08 44.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.687 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.19 92.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.863 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -66.8 -45.76 77.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.554 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -63.28 -31.58 72.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.853 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.481 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 39.8 ttp -61.52 -57.71 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.808 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.795 HD21 HD13 ' A' ' 849' ' ' LEU . 4.6 mt -69.18 -20.81 64.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.785 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.0 -46.34 81.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.304 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -87.66 -27.0 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.5 OUTLIER -83.59 0.88 44.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 56.35 24.85 8.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.493 ' HB3' HD22 ' A' ' 841' ' ' LEU . 0.8 OUTLIER -82.32 133.75 35.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.752 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.34 9.25 18.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.217 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -154.83 159.16 40.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.795 HD13 HD21 ' A' ' 841' ' ' LEU . 11.9 tp -140.64 156.75 46.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.53 115.9 30.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.733 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.506 HG21 HD12 ' A' ' 816' ' ' ILE . 3.5 mm -115.58 153.87 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.176 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -126.54 136.35 52.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.522 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.506 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -86.31 146.93 26.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.506 ' H ' HD13 ' A' ' 853' ' ' LEU . 92.6 m-85 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.087 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 121.019 0.438 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 4.6 mt -141.1 134.48 31.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.957 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 763' ' ' LEU . . . . . 0.513 HD21 HG22 ' A' ' 782' ' ' THR . 0.6 OUTLIER -80.86 121.97 26.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.589 179.69 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.78 102.43 11.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.185 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -81.13 125.06 29.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.364 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 766' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 5.6 mt -116.07 107.21 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.197 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.46 77.81 9.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.738 0.304 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 17.0 mt -85.76 107.06 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.493 ' HB2' HD12 ' A' ' 766' ' ' ILE . 52.4 m-85 -88.12 143.88 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.788 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 782' ' ' THR . . . . . 0.513 HG22 HD21 ' A' ' 763' ' ' LEU . 76.9 p -111.66 106.75 15.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 1.3 tt -108.28 121.71 45.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.805 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.17 76.06 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.483 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.404 HG11 HD12 ' A' ' 794' ' ' LEU . 13.4 t -69.63 129.68 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.38 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -76.1 -174.07 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.769 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -112.81 -19.38 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.7 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 6.6 m -88.62 13.58 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -88.61 178.69 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.206 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -121.21 -161.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.721 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -80.77 -54.13 5.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.64 -40.56 95.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -31.51 72.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.678 HD21 HD11 ' A' ' 816' ' ' ILE . 0.6 OUTLIER -68.1 -53.73 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.724 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -63.78 -25.58 38.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 3.0 mtm -73.8 -40.39 63.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.9 -36.65 84.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' A' ' 795' ' ' ILE . 14.3 mt -66.29 -41.9 89.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.775 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 59.3 t30 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.711 179.716 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 37.9 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.873 0.368 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.25 148.92 26.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.678 HD11 HD21 ' A' ' 794' ' ' LEU . 4.7 pt -135.94 136.26 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.191 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.552 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 43.6 mttt -88.35 131.02 34.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.964 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.468 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 30.7 p90 -115.59 142.12 47.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.843 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.62 135.63 51.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.026 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -99.98 -165.97 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -12.81 60.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.37 -8.73 41.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.044 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 94.39 -19.48 53.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.594 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.78 163.16 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.491 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 66.7 m-85 -97.95 118.46 34.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.641 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.85 153.35 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.283 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 40.9 t -78.6 138.13 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 818' ' ' TYR . 0.8 OUTLIER -121.12 104.64 9.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.799 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -140.03 24.7 2.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.641 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 1.6 m -144.83 150.26 36.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -33.37 74.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.98 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.1 OUTLIER -68.6 -31.84 71.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.43 -46.94 83.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -63.38 -35.8 81.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.717 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -60.9 -51.66 68.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 832' ' ' GLU . 39.8 t -60.89 -32.84 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.1 88.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.759 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -63.83 -44.0 94.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.508 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.42 -22.99 65.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.86 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 41.1 ttp -71.51 -40.12 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.72 HD21 HD13 ' A' ' 849' ' ' LEU . 3.6 mt -87.72 -8.89 55.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -83.93 -26.36 29.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -98.35 11.15 38.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -140.7 4.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 58.75 17.06 4.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 841' ' ' LEU . 3.0 mt-10 -66.04 121.46 15.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.739 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.48 28.12 8.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -163.11 170.26 18.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.033 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.72 HD13 HD21 ' A' ' 841' ' ' LEU . 11.7 tp -162.72 146.75 11.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.768 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 0.454 ' O ' HD13 ' A' ' 851' ' ' ILE . 68.1 m-20 -95.96 134.45 38.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.516 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 29.5 mm -123.27 134.66 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.183 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -111.68 133.3 54.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.71 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.95 168.14 19.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.552 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 3.0 m-85 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.918 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 761' ' ' SER . . . . . 0.404 ' C ' HG13 ' A' ' 762' ' ' ILE . 4.2 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.809 0.338 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 762' ' ' ILE . . . . . 0.404 HG13 ' C ' ' A' ' 761' ' ' SER . 4.1 mt -136.19 128.29 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.72 106.39 7.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.534 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.06 112.69 23.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.242 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 765' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 23.7 mtt180 -89.44 118.87 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.372 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 766' ' ' ILE . . . . . 0.57 HD13 HG23 ' A' ' 798' ' ' ILE . 3.2 mt -116.01 97.88 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 111.257 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.27 81.53 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 78.9 t80 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.515 179.737 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.834 0.349 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' A' ' 765' ' ' ARG . 7.9 mt -68.77 116.68 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.238 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.56 ' HB2' HD12 ' A' ' 766' ' ' ILE . 30.6 m-85 -88.45 170.4 10.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 26.1 p -141.73 92.04 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.028 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.09 133.78 45.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.108 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 74.72 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.472 HG13 ' CE3' ' A' ' 789' ' ' TRP . 4.3 t -64.38 138.64 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.2 169.65 9.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.826 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -94.55 -3.77 49.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.768 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 16.3 m -102.59 9.18 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.472 ' CE3' HG13 ' A' ' 785' ' ' VAL . 23.6 m0 -87.51 -173.25 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -137.21 -172.28 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.522 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -70.99 -41.37 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.61 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.68 -37.78 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.45 -31.34 71.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.17 -55.72 9.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.823 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -24.75 29.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 9.4 mtm -77.4 -33.18 55.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.648 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.18 -50.24 64.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.57 HG23 HD13 ' A' ' 766' ' ' ILE . 3.1 mt -59.8 -49.21 84.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.753 0.311 . . . . 0.0 111.358 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -157.58 127.32 6.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.258 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 1.6 pt -146.66 143.09 20.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.708 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.54 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 13.2 mttp -106.69 128.49 54.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.124 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.659 ' HB2' HD21 ' A' ' 849' ' ' LEU . 44.9 p90 -103.8 148.96 25.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -72.45 127.02 31.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.957 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.79 -177.97 5.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.028 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -67.43 -24.38 65.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.93 -6.97 58.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.788 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 87.36 6.02 78.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.79 129.02 44.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.54 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 72.2 m-85 -66.39 115.0 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.619 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.43 153.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.195 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.514 HG22 ' HE3' ' A' ' 817' ' ' LYS . 3.2 t -71.62 149.98 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.3 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.836 HD12 ' HB3' ' A' ' 833' ' ' ASP . 1.2 tp -137.41 94.11 2.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.735 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.18 27.41 2.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.6 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 5.2 m -144.89 150.93 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.784 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -34.8 74.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.419 ' O ' HG23 ' A' ' 836' ' ' VAL . 13.5 tt0 -69.35 -34.96 75.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.964 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.836 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -56.72 -43.71 80.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.715 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 834' ' ' TRP . . . . . 0.435 ' O ' ' HD2' ' A' ' 838' ' ' LYS . 38.6 t-105 -67.02 -41.39 86.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.521 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -55.17 -47.2 75.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 832' ' ' GLU . 38.7 t -66.91 -28.42 42.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.991 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.47 91.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 838' ' ' LYS . . . . . 0.435 ' HD2' ' O ' ' A' ' 834' ' ' TRP . 0.1 OUTLIER -67.9 -49.54 61.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.507 179.559 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 839' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 842' ' ' ALA . 0.9 OUTLIER -59.52 -29.55 67.96 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.68 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.434 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.1 ttm -64.55 -54.41 32.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.428 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.757 HD21 HD13 ' A' ' 849' ' ' LEU . 9.0 mt -68.86 -9.98 54.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.489 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 842' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 839' ' ' GLU . . . -75.4 -56.4 4.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -74.7 -35.78 62.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.1 m-80 -73.76 -6.79 49.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 57.36 25.97 11.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 178.67 3.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 -25.03 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.193 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -123.75 -178.84 4.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.816 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.757 HD13 HD21 ' A' ' 841' ' ' LEU . 13.1 tp -161.27 134.11 6.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.28 123.5 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.536 HD11 HD23 ' A' ' 849' ' ' LEU . 8.9 mm -118.09 138.58 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.246 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.85 136.44 45.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.575 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.556 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -89.25 150.36 22.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.834 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.556 ' H ' HD13 ' A' ' 853' ' ' LEU . 87.2 m-85 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.093 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.9 mt -122.29 129.31 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.366 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 763' ' ' LEU . . . . . 0.442 ' HB3' ' HB2' ' A' ' 848' ' ' PHE . 0.3 OUTLIER -78.02 93.85 4.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.555 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.25 120.63 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.17 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 765' ' ' ARG . . . . . 0.523 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 7.3 mtp180 -99.75 131.18 45.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.56 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 766' ' ' ILE . . . . . 0.466 HD13 HG23 ' A' ' 798' ' ' ILE . 4.8 mt -123.37 106.11 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.277 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 21.7 t -76.73 83.04 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.801 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 77.6 t80 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.04 -179.863 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.851 0.358 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.426 HG21 ' NH1' ' A' ' 765' ' ' ARG . 50.5 mt -73.8 113.12 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.097 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.523 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 16.7 m-85 -88.21 148.31 24.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 25.9 p -122.41 93.15 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.025 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 9.4 tp -110.16 128.05 55.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.2 mp -80.45 78.0 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.547 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.762 HG11 HD12 ' A' ' 794' ' ' LEU . 6.5 t -64.39 118.13 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.169 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.71 166.47 15.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.123 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -88.37 -21.1 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.732 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 15.5 m -87.33 27.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.978 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.403 ' CE3' HG13 ' A' ' 785' ' ' VAL . 10.2 m0 -107.29 -179.68 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.035 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 790' ' ' ASN . . . . . 0.4 ' H ' ' HB2' ' A' ' 793' ' ' ASP . 0.2 OUTLIER -130.26 -174.54 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.751 179.808 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -67.93 -51.4 48.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.794 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.51 -35.15 79.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 793' ' ' ASP . . . . . 0.4 ' HB2' ' H ' ' A' ' 790' ' ' ASN . 0.4 OUTLIER -68.91 -37.91 79.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.669 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.762 HD12 HG11 ' A' ' 785' ' ' VAL . 1.8 tt -63.73 -52.5 60.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.81 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.688 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -65.48 -25.95 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.284 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.0 -39.69 65.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.972 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.55 80.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 795' ' ' ILE . 22.8 mt -64.8 -47.77 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 21.7 m120 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.732 179.823 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.694 0.283 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 146.45 50.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.43 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 2.8 pt -145.0 147.29 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.578 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 13.0 mttt -100.09 116.78 32.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.278 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.499 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 28.7 p90 -104.77 139.85 38.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.553 ' O ' HD11 ' A' ' 849' ' ' LEU . 47.9 tt0 -65.56 128.8 37.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -92.74 176.44 6.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.75 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -8.74 55.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.768 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.21 4.52 52.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 72.83 29.19 65.59 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.559 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -133.4 135.0 44.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.319 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.534 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 63.8 m-85 -72.1 119.88 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.715 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.0 151.55 11.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.71 139.83 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.354 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.499 ' HB2' ' CD1' ' A' ' 818' ' ' TYR . 0.4 OUTLIER -130.49 101.32 5.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.769 179.76 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -146.93 52.42 0.56 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.76 161.34 11.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.795 0.331 . . . . 0.0 110.959 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.99 -32.58 73.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.9 tt0 -71.83 -35.51 69.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.457 ' HB3' HD12 ' A' ' 828' ' ' LEU . 83.0 m-20 -59.34 -48.85 80.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.78 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 30.9 t-105 -64.67 -34.31 78.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.697 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.28 -49.53 75.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 832' ' ' GLU . 37.0 t -66.13 -31.38 53.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.149 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.83 -47.21 85.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -63.21 -42.96 99.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.675 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.27 -25.9 67.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.873 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.48 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.8 ttm -65.18 -52.82 52.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.609 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.589 HD21 HD13 ' A' ' 849' ' ' LEU . 7.8 mt -70.44 -16.79 62.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.549 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -77.91 -42.09 34.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.266 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.28 -4.88 58.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.5 OUTLIER -110.92 4.38 19.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.0 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 57.51 20.84 6.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.468 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 0.7 OUTLIER -72.81 -174.06 1.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.63 -27.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.228 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 848' ' ' PHE . . . . . 0.442 ' HB2' ' HB3' ' A' ' 763' ' ' LEU . 12.4 p90 -127.58 -176.57 3.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.863 0.364 . . . . 0.0 111.155 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.589 HD13 HD21 ' A' ' 841' ' ' LEU . 13.1 tp -165.18 151.88 10.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.594 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 0.463 ' O ' HD13 ' A' ' 851' ' ' ILE . 1.5 m-80 -107.32 134.64 50.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.196 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 850' ' ' ASN . 5.3 mm -126.05 146.43 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.801 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -134.13 139.67 46.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.746 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.53 173.63 3.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.578 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.6 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 30.7 p . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.814 0.34 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 7.1 mt -133.32 136.41 54.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.28 136.25 40.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 764' ' ' PHE . . . . . 0.451 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -125.41 100.55 6.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.335 -179.587 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 765' ' ' ARG . . . . . 0.459 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 0.4 OUTLIER -74.55 127.4 33.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.161 179.454 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 766' ' ' ILE . . . . . 0.81 HD13 HG23 ' A' ' 798' ' ' ILE . 9.3 mt -123.33 97.5 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.324 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 58.3 p -87.48 109.37 19.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 768' ' ' TYR . . . . . 0.51 ' CD2' ' HG ' ' A' ' 853' ' ' LEU . 10.1 t80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.756 0.312 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 5.8 mt -87.75 121.91 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 44.4 m-85 -99.23 173.67 6.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 74.3 p -131.99 105.34 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.986 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 783' ' ' LEU . . . . . 0.569 HD12 HD11 ' A' ' 766' ' ' ILE . 0.6 OUTLIER -101.62 134.48 44.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.16 65.56 8.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.477 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.543 HG11 HD12 ' A' ' 794' ' ' LEU . 13.0 t -64.58 108.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.207 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.34 178.19 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -95.93 -14.91 22.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.41 13.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.484 ' CE3' HG13 ' A' ' 785' ' ' VAL . 11.8 m0 -95.35 -170.29 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.085 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -140.94 -169.14 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.414 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -70.4 -49.47 48.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.77 -45.73 85.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.992 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -30.34 70.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.694 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.543 HD12 HG11 ' A' ' 785' ' ' VAL . 3.4 tt -69.44 -57.36 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.806 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' A' ' 798' ' ' ILE . 3.1 tp -60.49 -24.92 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 32.5 tpp -71.87 -36.68 70.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.42 -43.84 84.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.25 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.81 HG23 HD13 ' A' ' 766' ' ' ILE . 5.9 mt -60.63 -46.99 94.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.819 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.798 0.332 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.41 118.17 0.64 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 5.9 pt -144.91 151.82 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.479 ' HB2' ' HE1' ' A' ' 854' ' ' TYR . 61.0 mttt -111.91 129.89 56.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.98 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.435 ' HD2' HD21 ' A' ' 849' ' ' LEU . 24.4 p90 -103.59 146.45 28.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.03 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -73.42 138.11 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.997 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 820' ' ' ASP . . . . . 0.45 ' HA ' ' HE1' ' A' ' 840' ' ' MET . 0.5 OUTLIER -93.83 -176.5 4.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.2 -21.33 64.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -97.7 6.96 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.721 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 71.33 43.58 54.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.461 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -126.17 121.17 32.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -66.38 108.67 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.19 152.84 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.213 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.411 HG22 ' HE2' ' A' ' 817' ' ' LYS . 4.1 t -66.99 153.87 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.809 HD12 ' HB3' ' A' ' 833' ' ' ASP . 1.7 tp -146.42 94.91 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.681 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.45 35.39 2.02 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.611 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 60.2 p -154.46 147.66 24.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -60.57 -27.8 67.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 836' ' ' VAL . 3.7 tt0 -71.65 -40.65 69.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.809 ' HB3' HD12 ' A' ' 828' ' ' LEU . 3.3 m-20 -57.59 -40.9 80.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.615 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -67.41 -36.17 80.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.338 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -61.86 -50.1 73.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.486 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 832' ' ' GLU . 15.1 t -63.53 -32.05 55.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.784 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 837' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -61.33 -37.97 85.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.646 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -42.69 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.425 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.54 -26.45 68.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.435 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 44.6 ttp -70.32 -45.66 65.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.481 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.53 HD21 HD13 ' A' ' 849' ' ' LEU . 5.9 mt -76.45 -18.33 58.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.845 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.91 -37.0 41.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.199 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -90.38 -7.35 53.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.7 OUTLIER -116.83 -2.32 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.0 18.32 6.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 841' ' ' LEU . 1.0 OUTLIER -68.87 124.29 23.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.26 14.82 24.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.982 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -152.64 157.48 41.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.749 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.53 HD13 HD21 ' A' ' 841' ' ' LEU . 8.6 tp -150.26 132.08 15.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.046 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -85.16 123.51 30.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.004 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.43 HG13 ' CE2' ' A' ' 764' ' ' PHE . 5.3 mm -120.25 141.71 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.249 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -112.99 142.05 46.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.827 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.512 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -88.32 148.6 24.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.047 -179.877 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.512 ' H ' HD13 ' A' ' 853' ' ' LEU . 94.6 m-85 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.972 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.682 0.277 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 16.4 mt -134.5 133.03 54.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.193 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.63 83.85 5.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.725 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.13 107.45 5.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.169 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 765' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 849' ' ' LEU . 25.4 mtm180 -83.56 127.96 34.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.435 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 766' ' ' ILE . . . . . 0.553 HD12 ' HB2' ' A' ' 781' ' ' PHE . 2.4 mt -115.87 87.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.783 0.325 . . . . 0.0 111.218 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.38 92.62 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 768' ' ' TYR . . . . . 0.485 ' CD2' ' HG ' ' A' ' 853' ' ' LEU . 4.1 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.836 0.35 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.3 mt -85.42 124.69 40.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.203 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.553 ' HB2' HD12 ' A' ' 766' ' ' ILE . 32.4 m-85 -108.96 121.8 45.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.745 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 49.7 p -91.79 119.83 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 9.7 tp -122.94 138.34 54.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.84 83.53 7.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.664 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.43 HG13 ' CE3' ' A' ' 789' ' ' TRP . 3.4 t -70.96 147.73 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.173 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 786' ' ' GLU . . . . . 0.406 ' HB3' HG22 ' A' ' 788' ' ' VAL . 5.7 mm-40 -106.35 145.48 31.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.798 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -70.51 -6.59 37.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.982 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 788' ' ' VAL . . . . . 0.406 HG22 ' HB3' ' A' ' 786' ' ' GLU . 16.1 m -100.48 30.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.43 ' CE3' HG13 ' A' ' 785' ' ' VAL . 9.3 m0 -110.92 -171.28 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -136.13 -177.6 4.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.556 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 791' ' ' PHE . . . . . 0.415 ' CZ ' ' HA2' ' A' ' 829' ' ' GLY . 74.2 t80 -68.74 -49.42 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.72 -35.34 80.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.741 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -33.71 69.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -50.75 65.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.891 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -65.96 -25.19 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.176 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 1.8 ttp -72.48 -41.08 66.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.814 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.67 91.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.891 HD12 ' HA ' ' A' ' 795' ' ' ILE . 12.0 mt -61.63 -45.87 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.662 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.578 179.608 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.76 0.314 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 134.73 38.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.538 HG22 HD22 ' A' ' 853' ' ' LEU . 8.3 pt -137.76 155.43 30.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.575 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 17.0 mttt -119.41 126.96 52.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.485 ' HB2' HD21 ' A' ' 849' ' ' LEU . 33.9 p90 -100.19 141.6 32.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.096 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -66.2 136.53 56.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.45 -177.86 4.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -25.27 66.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.73 -21.64 34.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 101.38 24.42 8.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.58 128.96 55.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.575 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 40.2 m-85 -66.88 115.44 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.95 148.94 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 827' ' ' VAL . . . . . 0.479 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 22.1 t -64.38 145.27 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.314 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.667 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.7 OUTLIER -137.09 95.91 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.772 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 829' ' ' GLY . . . . . 0.415 ' HA2' ' CZ ' ' A' ' 791' ' ' PHE . . . -137.98 24.36 2.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.682 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.71 156.26 46.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.738 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.85 -36.27 83.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.766 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.5 OUTLIER -66.37 -37.7 85.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.667 ' HB3' HD12 ' A' ' 828' ' ' LEU . 1.6 m-20 -57.0 -42.62 80.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.686 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -66.55 -35.48 80.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.389 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -39.87 94.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.517 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 832' ' ' GLU . 21.5 t -68.85 -30.21 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.88 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.71 97.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -66.96 -37.45 84.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.6 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -74.85 -23.54 58.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.792 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.4 ttm -68.74 -47.87 65.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.664 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.56 HD21 HD13 ' A' ' 849' ' ' LEU . 5.5 mt -80.18 -14.82 58.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.515 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.36 -62.63 1.33 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.045 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -67.14 -35.65 80.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.009 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -75.32 -6.13 48.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 57.17 26.19 11.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.96 -164.77 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.07 -27.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -123.07 155.54 36.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.803 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.56 HD13 HD21 ' A' ' 841' ' ' LEU . 15.1 tp -142.48 146.26 34.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.07 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -102.22 123.19 45.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 851' ' ' ILE . . . . . . . . . . . . . 8.0 mm -118.46 145.03 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.303 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -114.38 138.97 49.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.799 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 853' ' ' LEU . . . . . 0.538 HD22 HG22 ' A' ' 816' ' ' ILE . 0.2 OUTLIER -91.68 146.16 24.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.423 ' HE1' ' HB2' ' A' ' 817' ' ' LYS . 83.4 m-85 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.089 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.799 0.333 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.5 mt -139.25 121.95 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 763' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 763' ' ' LEU . 0.5 OUTLIER -70.84 105.73 3.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.562 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 764' ' ' PHE . . . . . 0.44 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -100.0 117.08 33.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.314 -179.604 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 765' ' ' ARG . . . . . 0.48 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 21.1 mtt-85 -93.23 130.73 38.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.447 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 766' ' ' ILE . . . . . 0.678 HD12 ' HB2' ' A' ' 781' ' ' PHE . 3.4 mt -123.9 107.57 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.246 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 1.7 t -86.57 138.18 31.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 57.3 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.717 179.792 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.9 mt -117.0 124.87 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.987 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 781' ' ' PHE . . . . . 0.678 ' HB2' HD12 ' A' ' 766' ' ' ILE . 11.1 m-85 -98.6 159.26 15.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.786 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 82.6 p -129.26 89.7 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.181 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.5 128.28 49.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 7.6 mp -79.8 88.2 5.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.539 HG11 HD12 ' A' ' 794' ' ' LEU . 15.2 t -70.89 131.44 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.079 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 786' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 2.0 mm-40 -92.27 152.14 19.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -70.91 -27.97 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 31.6 m -70.57 -12.21 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.025 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.51 ' HE3' HG13 ' A' ' 785' ' ' VAL . 13.1 m0 -74.42 166.43 23.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.238 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -119.89 -168.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.54 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -69.7 -46.35 66.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.625 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -67.5 -41.25 84.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -32.89 74.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.539 HD12 HG11 ' A' ' 785' ' ' VAL . 1.3 tt -69.68 -55.05 11.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.868 ' HA ' HD12 ' A' ' 798' ' ' ILE . 4.5 tp -59.55 -28.16 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 2.5 ttm -72.12 -36.63 69.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.764 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.35 80.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' A' ' 795' ' ' ILE . 6.8 mt -69.67 -50.34 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.684 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.932 0.396 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 815' ' ' LYS . . . . . 0.421 ' HG2' ' CE2' ' A' ' 854' ' ' TYR . 3.0 tttt -166.91 124.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.413 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 1.0 OUTLIER -139.55 151.11 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.388 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.535 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 0.9 OUTLIER -106.15 117.81 34.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.715 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 818' ' ' TYR . . . . . 0.807 ' HB2' HD21 ' A' ' 849' ' ' LEU . 18.9 p90 -101.28 140.5 35.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.49 ' O ' HD11 ' A' ' 849' ' ' LEU . 7.4 tt0 -71.34 120.84 17.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.02 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -76.4 -176.27 3.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.787 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.67 -18.32 62.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.3 7.45 45.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 69.45 30.91 71.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.24 119.84 34.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.754 0.311 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -59.67 117.74 5.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.84 156.91 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 3.0 t -75.22 149.4 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.632 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -142.29 105.65 4.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.799 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -142.92 11.68 2.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.03 156.54 44.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -63.99 -31.46 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.7 OUTLIER -68.01 -35.27 78.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.797 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.632 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -62.5 -49.86 73.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.782 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -61.54 -32.87 72.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.524 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -63.01 -48.76 77.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.737 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 832' ' ' GLU . 21.7 t -66.43 -30.39 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.971 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.59 88.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -67.64 -36.12 80.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.509 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.69 -22.52 62.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.563 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 0.4 OUTLIER -76.01 -41.4 51.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.538 179.719 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.712 HD21 HD13 ' A' ' 849' ' ' LEU . 1.4 mt -83.29 -11.85 57.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.633 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -75.01 -49.33 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.38 10.9 15.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.7 OUTLIER -125.28 1.53 7.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 57.17 24.92 10.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.046 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.48 132.92 34.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.722 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -112.62 -10.68 13.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.077 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -124.9 177.59 5.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 818' ' ' TYR . 16.5 tp -165.94 145.32 6.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -100.0 132.98 45.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.769 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.461 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 14.4 mm -123.15 140.36 47.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.928 0.394 . . . . 0.0 111.399 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.33 145.13 43.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.696 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 11.4 tp -82.59 163.49 21.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.047 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 854' ' ' TYR . . . . . 0.535 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.2 m-85 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.806 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 761' ' ' SER . . . . . 0.431 ' OG ' HD23 ' A' ' 784' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.6 mp -124.4 127.98 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 763' ' ' LEU . . . . . 0.446 HD11 HG22 ' A' ' 782' ' ' THR . 0.3 OUTLIER -70.93 95.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.54 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 764' ' ' PHE . . . . . 0.428 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -91.03 115.4 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.033 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 765' ' ' ARG . . . . . 0.412 ' HB3' ' CG2' ' A' ' 780' ' ' ILE . 6.6 mtp180 -88.58 130.36 35.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.764 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 766' ' ' ILE . . . . . . . . . . . . . 6.1 mt -123.6 93.0 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.8 109.68 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 41.0 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.95 0.405 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 780' ' ' ILE . . . . . 0.412 ' CG2' ' HB3' ' A' ' 765' ' ' ARG . 16.5 mt -77.81 119.91 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -96.09 172.1 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.644 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 782' ' ' THR . . . . . 0.446 HG22 HD11 ' A' ' 763' ' ' LEU . 64.2 p -136.13 94.75 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.351 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.25 120.17 41.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.756 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 784' ' ' LEU . . . . . 0.431 HD23 ' OG ' ' A' ' 761' ' ' SER . 5.3 mp -73.73 91.31 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 785' ' ' VAL . . . . . 0.456 HG13 ' CE3' ' A' ' 789' ' ' TRP . 5.0 t -76.94 132.73 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.02 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.93 164.7 13.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.991 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -82.43 -18.32 42.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.737 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 31.2 m -86.73 23.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.982 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 789' ' ' TRP . . . . . 0.456 ' CE3' HG13 ' A' ' 785' ' ' VAL . 6.4 m0 -105.93 -175.78 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.177 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -138.29 -174.32 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.55 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -68.66 -44.67 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.04 -37.31 81.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -31.93 68.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.655 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 794' ' ' LEU . . . . . 0.438 HD21 HD11 ' A' ' 816' ' ' ILE . 1.2 tt -69.41 -51.21 38.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.772 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 795' ' ' ILE . . . . . 0.411 ' HA ' HD12 ' A' ' 798' ' ' ILE . 3.9 tp -64.03 -23.56 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -35.48 63.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -67.77 -47.2 69.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.278 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 798' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 795' ' ' ILE . 13.1 mt -58.12 -49.99 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.186 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.941 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.865 0.364 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.45 123.85 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.992 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 816' ' ' ILE . . . . . 0.438 HD11 HD21 ' A' ' 794' ' ' LEU . 6.6 pt -137.01 149.63 26.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 817' ' ' LYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 33.0 mttt -112.82 134.13 54.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.096 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -109.98 149.0 30.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 819' ' ' GLN . . . . . 0.475 ' O ' HD11 ' A' ' 849' ' ' LEU . 26.1 tt0 -77.24 135.58 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -105.86 -165.14 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.056 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -18.71 63.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.98 -8.54 58.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 83.91 3.83 89.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.13 160.83 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.727 0.299 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 825' ' ' PHE . . . . . 0.586 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 68.9 m-85 -93.93 107.99 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -91.27 156.53 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.16 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 2.8 t -71.82 148.87 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 828' ' ' LEU . . . . . 0.721 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.5 OUTLIER -141.97 96.31 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.793 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.21 29.93 2.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.561 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.96 155.63 43.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.741 0.305 . . . . 0.0 110.933 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.18 -35.69 81.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 832' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 836' ' ' VAL . 4.2 tm-20 -67.81 -39.2 84.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 833' ' ' ASP . . . . . 0.721 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.7 OUTLIER -54.82 -40.6 69.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.653 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -69.25 -36.75 77.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.385 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -61.17 -43.27 99.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.701 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 836' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 832' ' ' GLU . 5.3 t -70.43 -27.21 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.764 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.91 92.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.723 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -64.47 -42.9 95.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.43 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.34 -20.3 66.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.535 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 840' ' ' MET . . . . . 0.416 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 25.9 ttp -71.18 -53.1 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.38 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 841' ' ' LEU . . . . . 0.838 HD21 HD13 ' A' ' 849' ' ' LEU . 10.0 mt -72.87 -14.19 61.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.473 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.86 -62.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.01 -36.91 85.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 844' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 840' ' ' MET . 4.1 m120 -76.06 -6.64 52.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 24.3 t30 57.56 24.84 10.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.666 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 846' ' ' GLU . . . . . 0.506 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 0.5 OUTLIER -66.29 -174.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.932 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -147.7 -30.48 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -128.4 169.66 14.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.924 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 849' ' ' LEU . . . . . 0.838 HD13 HD21 ' A' ' 841' ' ' LEU . 13.1 tp -152.1 135.3 15.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 850' ' ' ASN . . . . . 0.41 ' O ' HD13 ' A' ' 851' ' ' ILE . 2.5 m120 -86.61 127.26 34.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 851' ' ' ILE . . . . . 0.41 HD13 ' O ' ' A' ' 850' ' ' ASN . 5.7 mm -123.82 145.78 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -118.57 143.1 47.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.815 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.21 148.95 21.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.828 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.372 -0.823 . . . . 0.0 111.119 -179.66 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.79 -18.03 41.89 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.488 2.126 . . . . 0.0 112.222 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.28 133.12 36.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 70.13 57.63 6.77 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.599 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 761' ' ' SER . . . . . 0.422 ' C ' HG13 ' A' ' 762' ' ' ILE . 19.4 p -156.07 163.21 39.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 762' ' ' ILE . . . . . 0.422 HG13 ' C ' ' A' ' 761' ' ' SER . 3.6 mt -134.88 129.85 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 763' ' ' LEU . 0.4 OUTLIER -74.49 109.94 8.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.669 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.47 128.56 52.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.44 ' HB3' ' CG2' ' A' ' 780' ' ' ILE . 1.0 OUTLIER -110.03 130.01 55.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.543 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 766' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 0.7 OUTLIER -125.92 103.48 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.29 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 9.4 t -78.89 72.62 5.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 768' ' ' TYR . . . . . 0.426 ' OH ' HG21 ' A' ' 810' ' ' ILE . 70.5 t80 -61.47 113.12 2.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.005 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -95.29 155.14 16.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 770' ' ' ASN . . . . . 0.499 ' HB3' ' HB2' ' A' ' 776' ' ' SER . 17.1 t-20 -82.92 -62.22 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -143.8 3.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 9.1 t 56.94 88.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -152.08 -165.58 2.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.03 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -66.71 -15.7 63.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.62 123.13 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 776' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 770' ' ' ASN . 0.9 OUTLIER -161.15 -16.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.966 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.24 85.32 0.08 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.041 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.8 145.97 51.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -121.65 123.89 42.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.662 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 12.9 mt -105.69 113.2 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.332 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.413 ' HB3' ' HE3' ' A' ' 801' ' ' LYS . 7.3 m-85 -90.12 151.29 21.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.724 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 44.7 p -125.15 107.91 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.307 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 783' ' ' LEU . . . . . 0.47 HD23 HD11 ' A' ' 766' ' ' ILE . 0.3 OUTLIER -122.81 143.76 49.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.55 100.15 10.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.329 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.473 HG13 ' CE3' ' A' ' 789' ' ' TRP . 11.9 t -79.58 118.86 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.56 162.75 28.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.079 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -88.68 -10.21 49.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.723 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 24.0 m -95.3 16.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.473 ' CE3' HG13 ' A' ' 785' ' ' VAL . 11.9 m0 -96.13 -176.11 3.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.072 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 790' ' ' ASN . . . . . 0.407 ' H ' ' HB2' ' A' ' 793' ' ' ASP . 6.2 m120 -136.66 -176.55 4.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.325 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.29 -42.51 96.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.826 0.346 . . . . 0.0 110.632 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.75 -43.72 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 793' ' ' ASP . . . . . 0.407 ' HB2' ' H ' ' A' ' 790' ' ' ASN . 1.1 m-20 -65.41 -25.68 67.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.742 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.21 -53.51 9.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.827 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.658 ' HA ' HD12 ' A' ' 798' ' ' ILE . 3.6 tp -63.01 -24.49 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.199 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 16.0 ttm -72.89 -41.61 64.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.751 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.5 90.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 795' ' ' ILE . 14.1 mt -64.81 -40.78 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.172 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -57.78 -49.32 76.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.959 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 4.2 m -61.57 -29.78 70.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.413 ' HE3' ' HB3' ' A' ' 781' ' ' PHE . 2.3 tptt -65.39 -34.99 79.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 798' ' ' ILE . 14.4 mt -72.91 -33.4 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.995 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 10.0 t -87.2 -11.97 48.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -72.82 -33.8 66.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.02 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.44 -47.6 4.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.231 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.13 121.63 26.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.697 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.56 -29.51 69.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.38 179.7 2.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -132.7 96.03 3.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 810' ' ' ILE . . . . . 0.426 HG21 ' OH ' ' A' ' 768' ' ' TYR . 1.1 pt -77.81 178.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.54 140.75 97.81 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.755 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.35 118.14 5.13 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.422 2.081 . . . . 0.0 112.228 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.9 mm -76.48 142.12 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.28 11.79 1.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.334 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.504 ' HE2' ' HZ2' ' A' ' 817' ' ' LYS . 14.4 tttt -143.72 119.58 10.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.911 0.386 . . . . 0.0 111.069 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 851' ' ' ILE . 18.8 pt -138.5 148.29 24.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.742 ' HE3' HG22 ' A' ' 827' ' ' VAL . 31.7 mttp -111.63 129.39 56.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -103.02 158.89 15.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -85.46 130.15 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.095 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -91.2 -160.41 0.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -26.49 55.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.185 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -79.97 -32.22 39.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.079 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 114.15 -1.56 24.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -87.44 153.82 21.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.538 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 51.7 m-85 -85.3 112.87 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.784 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.55 140.4 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.742 HG22 ' HE3' ' A' ' 817' ' ' LYS . 14.5 t -61.81 146.58 11.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.564 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.448 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.5 OUTLIER -142.26 94.36 2.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.584 179.806 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -135.14 13.7 4.35 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.617 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.29 160.47 29.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -68.25 -45.26 73.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.1 OUTLIER -61.53 -29.76 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.981 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.448 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.4 OUTLIER -64.19 -32.26 73.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.635 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -75.26 -38.22 60.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.633 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -61.53 -44.82 96.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.683 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 832' ' ' GLU . 37.7 t -66.96 -33.51 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.879 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.45 -39.74 80.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.674 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -68.93 -41.11 78.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.455 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.41 -20.01 64.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.579 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -72.29 -53.09 13.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.551 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.872 HD21 HD13 ' A' ' 849' ' ' LEU . 2.4 mt -72.05 -20.19 61.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.701 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.62 -53.2 30.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.215 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.74 -34.75 67.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -79.18 -2.47 41.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 57.14 22.25 7.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -171.72 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.103 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.78 -27.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.007 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -117.45 175.28 5.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.79 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.872 HD13 HD21 ' A' ' 841' ' ' LEU . 12.5 tp -158.63 141.58 14.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -100.81 121.19 41.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.555 HG21 HD12 ' A' ' 816' ' ' ILE . 3.4 mm -118.28 146.06 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 854' ' ' TYR . 5.7 ttt-85 -115.07 141.72 47.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.539 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -94.52 143.85 26.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.621 179.825 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.539 ' H ' HD13 ' A' ' 853' ' ' LEU . 64.2 m-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.186 -0.912 . . . . 0.0 111.194 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.37 -23.86 14.84 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.544 2.163 . . . . 0.0 112.359 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 5.9 mt -82.38 171.5 14.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -95.26 52.19 1.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.412 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.4 -168.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.2 mp -135.78 129.26 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.08 135.8 42.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.624 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.42 104.23 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.545 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 10.4 mtp180 -82.51 131.55 35.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.987 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 766' ' ' ILE . . . . . 0.533 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 2.1 mp -121.18 97.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 0.0 111.463 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 767' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 853' ' ' LEU . 13.5 t -77.69 120.8 23.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.853 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -116.52 125.09 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -101.92 132.68 47.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -85.7 -55.3 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -128.54 56.79 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.03 32.49 21.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 58.47 78.73 0.24 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -71.46 -58.57 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.7 -70.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 5.2 m -151.72 54.39 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.801 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.31 18.27 20.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 28.8 t -82.33 144.55 30.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -139.57 116.32 10.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.533 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 3.1 mt -104.91 132.61 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 4.3 m-85 -102.32 159.55 15.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.996 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 34.6 p -123.19 107.59 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 14.0 tp -109.48 125.54 52.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.31 81.58 5.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.439 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.502 HG11 HD12 ' A' ' 794' ' ' LEU . 3.4 t -71.14 130.23 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -89.16 179.09 6.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.818 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -95.27 -21.18 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 788' ' ' VAL . . . . . 0.4 ' H ' HG22 ' A' ' 788' ' ' VAL . 4.2 m -85.54 28.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.41 ' CE3' HG13 ' A' ' 785' ' ' VAL . 13.2 m0 -111.76 178.79 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.077 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -130.72 -170.92 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.447 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -70.4 -49.69 46.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.74 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 796' ' ' MET . 38.9 t70 -66.31 -33.49 75.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -31.71 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.502 HD12 HG11 ' A' ' 785' ' ' VAL . 1.4 tt -74.69 -51.15 15.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.823 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 2.9 tp -61.15 -29.93 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 796' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 792' ' ' ASP . 0.3 OUTLIER -74.36 -38.5 63.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.793 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.33 -52.55 57.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.521 ' O ' HG13 ' A' ' 802' ' ' ILE . 16.1 mt -58.67 -35.46 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -59.72 -43.39 94.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.394 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.03 -19.75 61.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.474 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.73 -28.7 61.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.574 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 798' ' ' ILE . 2.4 mt -86.55 -28.6 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.83 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 10.9 t -103.12 59.63 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.82 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -141.54 -41.93 0.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.048 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 6.6 t -114.39 -7.95 12.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.269 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.91 -168.65 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -59.39 -72.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -140.79 -74.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -153.52 125.75 7.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.139 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.1 pt -99.42 163.14 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.912 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 1.2 t -60.38 141.2 91.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.001 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 35.1 Cg_exo -57.84 176.84 0.29 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.694 2.263 . . . . 0.0 112.38 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.718 HG12 HD11 ' A' ' 853' ' ' LEU . 0.9 OUTLIER -119.13 -63.07 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 5.0 p 54.57 21.11 3.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.9 93.19 0.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 17.7 pt -120.69 146.71 25.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.57 ' HG2' ' HA ' ' A' ' 827' ' ' VAL . 11.4 mttt -109.97 136.71 48.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.04 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 23.9 p90 -112.94 147.25 37.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.506 ' O ' HD11 ' A' ' 849' ' ' LEU . 35.6 tt0 -73.77 147.32 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.052 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -113.27 -164.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -70.53 -32.17 69.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.17 -5.59 47.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 86.89 -11.4 64.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.32 169.83 17.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.347 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -108.01 115.73 30.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.696 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.66 152.48 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.57 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 2.6 t -71.99 151.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.416 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.707 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.5 OUTLIER -141.4 98.83 3.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.726 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -140.71 33.63 2.03 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.3 149.59 27.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -58.47 -33.14 69.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.8 tp10 -66.55 -36.59 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.707 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.6 OUTLIER -60.53 -49.14 78.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.729 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -62.18 -29.74 70.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.404 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -67.39 -48.82 66.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.598 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 832' ' ' GLU . 21.1 t -66.83 -30.23 48.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.749 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.42 97.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.601 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -65.81 -45.24 83.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.486 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.69 -27.12 69.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.621 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 48.2 ttp -65.0 -55.23 20.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.491 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.611 HD21 HD13 ' A' ' 849' ' ' LEU . 5.7 mt -68.05 -13.8 62.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.619 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.58 -50.2 11.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -83.89 -1.47 54.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.927 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.6 m120 -112.72 -0.49 15.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.7 m120 57.09 20.63 5.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.528 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 2.3 mm-40 -66.76 179.77 1.02 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.69 -28.04 0.35 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -129.37 168.22 16.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.833 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.611 HD13 HD21 ' A' ' 841' ' ' LEU . 12.3 tp -153.77 125.25 7.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.406 ' O ' HD13 ' A' ' 851' ' ' ILE . 7.1 m120 -78.09 136.62 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 850' ' ' ASN . 22.9 mm -123.27 145.88 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.23 135.71 50.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.698 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.718 HD11 HG12 ' A' ' 813' ' ' ILE . 0.2 OUTLIER -90.96 147.46 23.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.504 ' H ' HD13 ' A' ' 853' ' ' LEU . 87.3 m-85 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.063 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 CA-C-O 120.187 -0.229 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.44 -41.81 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.589 2.192 . . . . 0.0 112.421 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.04 64.53 5.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 164.38 -178.15 39.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 761' ' ' SER . . . . . 0.436 ' C ' HG13 ' A' ' 762' ' ' ILE . 4.5 m 60.99 174.77 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.047 0.451 . . . . 0.0 111.262 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 762' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 761' ' ' SER . 18.4 mt -142.11 131.71 23.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.018 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 763' ' ' LEU . 0.2 OUTLIER -76.12 94.76 3.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 179.588 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 764' ' ' PHE . . . . . 0.471 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -90.65 95.59 10.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.316 -179.452 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 33.7 mtt180 -73.49 134.58 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.369 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 766' ' ' ILE . . . . . . . . . . . . . 1.5 mt -125.55 98.62 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.791 0.329 . . . . 0.0 111.419 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 2.1 t -87.38 82.7 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -78.96 138.73 38.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -121.97 111.08 16.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -78.3 -16.86 57.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -109.52 -159.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 2.7 t -130.18 -55.0 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.023 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.81 99.59 4.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.001 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -138.63 -170.54 2.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 40.1 p -82.14 -48.01 11.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.87 105.75 0.6 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.27 18.99 1.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.818 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 61.5 p -87.15 121.32 29.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.68 113.9 26.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.854 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 12.7 mt -94.35 124.52 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 28.5 m-85 -96.23 177.76 5.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.757 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 48.0 p -138.71 90.98 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.038 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 783' ' ' LEU . . . . . 0.554 ' HB2' ' HE3' ' A' ' 801' ' ' LYS . 50.9 tp -99.12 114.55 27.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.029 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.46 85.68 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.737 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.471 HG23 ' HB2' ' A' ' 764' ' ' PHE . 3.7 t -77.17 146.89 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.143 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.11 170.6 9.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -91.74 -22.18 20.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 29.8 m -90.89 25.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -101.35 -178.64 3.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.181 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -130.14 -164.59 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.55 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -77.56 -49.95 13.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.776 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.401 ' O ' HG22 ' A' ' 795' ' ' ILE . 3.2 p30 -62.62 -37.36 85.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -68.45 -27.25 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 2.4 tt -71.23 -49.79 39.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.799 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.58 ' HA ' HD12 ' A' ' 798' ' ' ILE . 1.0 OUTLIER -67.04 -21.35 28.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.35 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 7.8 tpp -73.2 -48.64 33.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.148 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.08 95.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 795' ' ' ILE . 18.9 mt -59.86 -46.97 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.913 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.72 -40.89 80.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.84 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 28.3 t -65.13 -31.48 72.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.745 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.554 ' HE3' ' HB2' ' A' ' 783' ' ' LEU . 0.5 OUTLIER -67.72 -31.83 72.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.605 HG13 HD11 ' A' ' 813' ' ' ILE . 2.4 mm -73.2 -54.09 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.743 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.2 t -74.51 73.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.065 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -174.58 -35.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.708 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 33.3 p -101.7 -161.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.044 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 59.31 -165.85 0.19 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -87.81 -52.3 5.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.038 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -124.5 -85.0 0.65 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -171.28 136.5 1.04 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.4 pt -103.66 -173.06 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.154 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 1.1 t -60.68 145.58 87.56 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.95 -177.22 3.48 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.631 2.221 . . . . 0.0 112.474 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.605 HD11 HG13 ' A' ' 802' ' ' ILE . 0.4 OUTLIER -118.47 158.0 19.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.08 -56.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.394 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.66 143.96 46.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.38 . . . . 0.0 111.197 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 2.4 pt -146.58 149.36 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.789 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.682 ' HE3' HG22 ' A' ' 827' ' ' VAL . 15.9 mttp -109.16 125.54 52.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.993 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.428 ' HD1' ' HB2' ' A' ' 828' ' ' LEU . 27.6 p90 -97.76 138.52 35.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.474 ' O ' HD11 ' A' ' 849' ' ' LEU . 15.8 tt0 -72.22 126.51 29.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.59 -177.03 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.8 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -71.89 -5.1 32.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.93 11.61 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 69.83 16.84 72.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.581 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.24 116.01 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.756 0.313 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.449 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 53.0 m-85 -64.56 125.02 23.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.983 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.22 153.97 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.682 HG22 ' HE3' ' A' ' 817' ' ' LYS . 3.4 t -64.78 151.51 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.213 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -145.25 94.84 2.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.71 179.751 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -140.32 41.79 1.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 3.6 t -157.3 160.55 38.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -38.12 76.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.801 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.0 OUTLIER -66.08 -34.06 77.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.711 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.498 ' HB3' HD12 ' A' ' 828' ' ' LEU . 3.9 m-20 -59.83 -45.42 92.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.7 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -62.42 -38.33 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.508 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -60.11 -45.86 91.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.786 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 832' ' ' GLU . 13.9 t -63.31 -31.9 54.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.739 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.69 92.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.656 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -65.45 -41.88 92.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.48 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.79 -28.69 67.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.575 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.456 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.6 ttm -63.29 -46.97 84.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.604 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.8 HD21 HD13 ' A' ' 849' ' ' LEU . 2.2 mt -78.47 -14.37 59.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.722 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -79.26 -32.87 43.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.343 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -102.02 6.39 41.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.7 m-80 -127.78 -1.34 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.11 14.92 3.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 841' ' ' LEU . 1.5 mt-10 -66.74 122.22 17.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.651 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.65 15.05 30.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -155.75 169.63 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.8 HD13 HD21 ' A' ' 841' ' ' LEU . 11.7 tp -156.96 122.63 4.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -83.87 121.63 27.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 851' ' ' ILE . . . . . . . . . . . . . 10.1 mm -114.41 142.23 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -108.84 139.67 43.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.44 HD11 HG23 ' A' ' 813' ' ' ILE . 0.2 OUTLIER -88.08 155.53 19.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.966 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.433 ' HE2' ' HB2' ' A' ' 817' ' ' LYS . 95.8 m-85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.412 -0.275 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.42 -25.45 56.11 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.461 2.108 . . . . 0.0 112.186 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.73 -177.18 5.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -90.63 78.28 1.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 1.4 p -113.43 148.28 36.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.801 0.334 . . . . 0.0 110.976 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.2 mp -124.7 125.86 70.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.72 102.22 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.779 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 764' ' ' PHE . . . . . 0.46 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -93.21 108.68 20.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.141 -179.655 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.415 ' HB3' HG21 ' A' ' 780' ' ' ILE . 36.9 mtp85 -83.94 128.99 34.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.223 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 766' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 3.2 mt -119.84 95.65 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.832 0.348 . . . . 0.0 111.374 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 767' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 853' ' ' LEU . 2.0 p -67.15 134.13 51.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.744 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 768' ' ' TYR . . . . . 0.464 ' HE1' HD13 ' A' ' 810' ' ' ILE . 88.9 t80 -141.92 109.71 5.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.785 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -113.81 132.58 55.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -71.17 -63.94 1.01 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -105.98 -78.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.53 -68.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.755 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 773' ' ' ASN . . . . . 0.4 ' H ' ' H ' ' A' ' 774' ' ' ASN . 0.1 OUTLIER -168.49 -4.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 179.778 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 774' ' ' ASN . . . . . 0.4 ' H ' ' H ' ' A' ' 773' ' ' ASN . 10.1 t-20 -68.74 -28.71 67.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 1.3 t -136.38 146.04 46.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.265 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 4.7 m 57.16 -167.91 0.12 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 1.6 t -128.83 -173.82 3.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.027 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 99.1 p -79.8 130.74 35.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -107.81 98.01 7.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.023 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 10.5 mt -106.77 114.92 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.489 ' HB2' HD12 ' A' ' 766' ' ' ILE . 8.5 m-85 -83.06 156.33 23.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 46.9 p -125.19 113.8 18.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.58 134.51 54.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.032 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.5 81.85 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.52 HG13 ' CE3' ' A' ' 789' ' ' TRP . 14.9 t -66.27 140.76 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.275 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.52 146.16 26.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.994 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -69.83 -18.6 63.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.71 -2.4 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.52 ' CE3' HG13 ' A' ' 785' ' ' VAL . 13.7 m0 -82.84 -171.89 3.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.974 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.12 -168.09 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.79 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -70.94 -52.95 16.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -65.14 -39.43 93.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.177 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -67.22 -34.21 76.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.066 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.52 HD12 HG11 ' A' ' 785' ' ' VAL . 0.4 OUTLIER -69.15 -53.3 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.973 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.716 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.7 OUTLIER -59.73 -26.08 34.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.273 -179.75 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 2.3 mtt -71.95 -40.2 68.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.763 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.44 77.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.05 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 795' ' ' ILE . 22.7 mt -66.03 -49.36 77.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -55.2 -36.61 66.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 1.1 t -68.09 -41.4 81.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -59.9 -29.33 68.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.486 ' CD1' HD11 ' A' ' 813' ' ' ILE . 22.7 mt -78.24 -36.23 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 5.3 t -76.33 83.95 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.699 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 804' ' ' ASN . . . . . 0.432 ' OD1' HG22 ' A' ' 805' ' ' THR . 21.6 p-10 -164.25 -32.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.175 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 805' ' ' THR . . . . . 0.432 HG22 ' OD1' ' A' ' 804' ' ' ASN . 1.5 t -121.69 -48.26 2.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.464 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.43 156.56 36.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.96 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.64 34.12 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.126 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 54.04 62.25 2.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.87 18.01 14.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 810' ' ' ILE . . . . . 0.464 HD13 ' HE1' ' A' ' 768' ' ' TYR . 1.0 OUTLIER -135.77 148.88 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.48 151.22 78.23 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.67 -176.74 0.76 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.56 2.173 . . . . 0.0 112.177 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.486 HD11 ' CD1' ' A' ' 802' ' ' ILE . 0.8 OUTLIER -110.63 135.88 48.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.04 4.16 2.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.766 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.08 127.96 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.414 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 6.3 pt -125.71 143.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 851' ' ' ILE . 6.2 mttt -104.12 116.69 32.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.4 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 30.9 p90 -100.61 150.4 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -71.59 144.92 49.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 824' ' ' ASP . 0.7 OUTLIER -96.78 -166.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.968 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.44 -46.24 70.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -8.13 58.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.017 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 96.12 30.76 7.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 820' ' ' ASP . 0.3 OUTLIER -105.79 124.14 49.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -67.67 124.62 23.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.763 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 826' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 817' ' ' LYS . 0.0 OUTLIER -124.07 153.96 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.436 HG13 ' OH ' ' A' ' 854' ' ' TYR . 6.5 t -71.53 150.34 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.34 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -143.68 98.06 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.714 179.791 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -137.68 29.2 2.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.556 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 41.8 m -141.52 160.18 40.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.926 0.393 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -40.33 89.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 836' ' ' VAL . 14.9 tt0 -66.02 -32.48 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.025 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.409 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.3 OUTLIER -60.74 -51.37 69.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -61.75 -32.81 73.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -63.05 -54.21 41.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.601 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 832' ' ' GLU . 26.8 t -60.8 -27.88 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.775 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.8 95.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.771 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -63.35 -37.86 88.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.397 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -68.2 -33.67 74.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.475 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 3.0 ttm -60.25 -53.12 61.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.798 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.752 HD21 HD13 ' A' ' 849' ' ' LEU . 3.5 mt -74.68 -12.57 60.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -74.39 -56.36 4.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.529 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -77.0 -19.69 56.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.301 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.9 m-80 -92.97 2.0 57.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.076 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.24 16.56 4.04 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.611 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 1.5 mm-40 -74.04 130.13 39.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.24 10.65 21.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.981 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -148.63 170.65 17.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.752 HD13 HD21 ' A' ' 841' ' ' LEU . 14.7 tp -162.67 141.54 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -96.15 129.7 43.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 5.7 mm -121.32 148.24 24.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -115.01 139.77 49.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 767' ' ' SER . 0.2 OUTLIER -89.85 19.98 4.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.037 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.436 ' OH ' HG13 ' A' ' 827' ' ' VAL . 3.1 m-85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.996 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.16 -24.49 16.94 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.588 2.192 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.31 -39.49 25.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 109.46 -84.15 0.35 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.591 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.64 -177.38 0.09 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.922 0.392 . . . . 0.0 111.107 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.3 mt -135.62 132.23 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 130.09 38.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.769 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 764' ' ' PHE . . . . . 0.454 ' CE2' HD11 ' A' ' 794' ' ' LEU . 0.1 OUTLIER -118.39 105.96 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.023 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -81.08 133.4 35.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 766' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 781' ' ' PHE . 3.4 mt -126.44 104.5 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.258 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 9.5 t -76.12 96.04 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -94.21 115.37 27.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.747 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -125.89 117.76 24.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -73.74 -57.19 4.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.73 -58.78 1.87 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 21.9 t -162.96 92.16 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.768 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 57.62 25.24 11.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 5.3 m120 54.38 -163.88 0.11 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 5.8 p -82.94 -14.78 53.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 22.8 t -157.65 88.23 0.98 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 14.5 m 63.67 159.5 0.09 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.273 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.14 156.24 39.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.7 85.82 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.8 mt -83.11 110.95 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.247 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.487 ' HB2' HD12 ' A' ' 766' ' ' ILE . 26.5 m-85 -84.68 148.76 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 76.7 p -117.91 119.76 35.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.981 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 2.5 mt -122.05 124.16 43.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.75 73.93 7.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.346 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.436 HG11 HD12 ' A' ' 794' ' ' LEU . 2.1 t -64.25 108.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.379 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.0 177.56 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -91.9 -23.29 19.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 20.7 m -80.77 11.69 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.427 ' CE3' HG13 ' A' ' 785' ' ' VAL . 8.7 m0 -91.99 -173.72 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -142.28 -167.83 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.419 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -73.14 -53.28 11.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.766 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -61.26 -33.7 73.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.051 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -28.71 63.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.532 HD21 HD11 ' A' ' 816' ' ' ILE . 0.8 OUTLIER -71.12 -51.95 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 4.0 tp -63.84 -25.21 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.264 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 3.0 ttm -73.25 -37.64 66.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.27 -49.16 72.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.297 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 7.9 mt -59.29 -45.72 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.366 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -55.39 -42.41 73.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 17.9 m -59.55 -39.41 83.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.717 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -39.02 79.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.719 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 25.2 mt -71.47 -40.12 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 7.0 t -67.27 -19.02 65.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -83.25 -60.55 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.791 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 2.9 t -119.5 136.81 54.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.887 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -164.68 -171.14 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.003 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -129.41 -11.9 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.796 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.08 7.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.05 68.74 0.82 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.987 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.3 pt -62.98 167.2 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.362 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 1.4 p -65.35 146.68 98.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.49 131.17 25.5 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.552 2.168 . . . . 0.0 112.203 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.587 HG22 ' H ' ' A' ' 815' ' ' LYS . 23.2 mm -98.99 135.33 34.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.094 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.9 29.22 7.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.587 ' H ' HG22 ' A' ' 813' ' ' ILE . 11.0 tttt -156.44 116.98 3.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.532 HD11 HD21 ' A' ' 794' ' ' LEU . 21.5 pt -131.92 159.21 43.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.529 ' NZ ' HG22 ' A' ' 827' ' ' VAL . 5.1 mttm -117.92 126.2 51.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -100.28 148.61 24.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.466 ' O ' HD11 ' A' ' 849' ' ' LEU . 17.1 tt0 -78.09 142.72 37.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -102.4 -170.81 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -68.87 -21.08 64.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.42 -30.21 37.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 109.73 6.69 28.4 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.549 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -103.56 152.58 21.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -85.09 120.84 27.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.75 152.33 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.831 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.529 HG22 ' NZ ' ' A' ' 817' ' ' LYS . 3.9 t -70.47 149.79 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.365 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.567 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.7 OUTLIER -137.61 87.12 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.691 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -131.13 34.71 2.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.632 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.91 153.79 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.729 0.299 . . . . 0.0 110.761 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.68 -34.43 77.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 836' ' ' VAL . 2.1 tt0 -66.88 -32.85 74.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.567 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -60.28 -51.25 70.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.71 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.458 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 36.4 t-105 -62.18 -30.83 71.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.441 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -65.23 -53.97 36.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.634 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 832' ' ' GLU . 23.0 t -60.78 -30.4 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.81 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.73 99.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.837 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 6.8 mtmt -64.24 -39.08 93.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.506 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.15 -23.84 61.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.578 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.1 ttm -67.44 -44.57 78.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.637 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.502 HD21 HD13 ' A' ' 849' ' ' LEU . 1.6 mt -81.52 -16.06 52.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.729 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.85 -40.69 65.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.47 19.34 13.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.6 OUTLIER -136.7 -0.42 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.85 25.45 10.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.78 130.69 35.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.06 5.68 22.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.087 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -151.61 170.51 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.502 HD13 HD21 ' A' ' 841' ' ' LEU . 12.0 tp -156.98 135.56 11.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -85.12 117.85 24.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.488 HG21 HD12 ' A' ' 816' ' ' ILE . 3.6 mm -118.15 144.14 27.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.246 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -116.99 136.78 52.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.502 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.466 ' HG ' ' H ' ' A' ' 854' ' ' TYR . 17.6 tp -86.46 165.83 15.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.766 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.466 ' H ' ' HG ' ' A' ' 853' ' ' LEU . 94.3 m-85 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.19 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.52 -90.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.44 2.093 . . . . 0.0 112.288 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.12 -30.31 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.763 0.316 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -100.51 66.08 0.54 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.398 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 761' ' ' SER . . . . . 0.404 ' HB2' ' HG ' ' A' ' 784' ' ' LEU . 33.2 p -96.59 173.58 7.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 0.0 110.949 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 15.3 mt -128.82 136.76 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 7.9 tp -94.58 80.68 3.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.592 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.02 116.21 9.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.218 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 11.5 mtp85 -94.13 128.49 40.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.402 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 766' ' ' ILE . . . . . 0.561 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 3.3 mt -117.13 99.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.843 0.354 . . . . 0.0 111.431 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 6.2 t -85.31 113.12 21.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.725 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -134.88 126.73 29.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.27 159.01 15.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.41 3.41 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -116.73 -20.33 9.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 57.26 -170.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 55.5 86.65 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.53 -170.11 0.14 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 6.5 t -85.15 155.08 21.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 1.8 t -161.55 -56.65 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 2.1 m -162.25 79.35 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.67 121.11 25.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -87.79 109.98 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.561 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 3.7 mt -104.91 114.43 44.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.027 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.499 ' HB2' HD12 ' A' ' 766' ' ' ILE . 8.1 m-85 -83.46 172.57 12.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 67.2 p -135.13 101.46 4.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.888 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 783' ' ' LEU . . . . . 0.421 HD21 ' HB1' ' A' ' 797' ' ' ALA . 0.2 OUTLIER -97.99 131.32 44.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.126 -179.686 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 784' ' ' LEU . . . . . 0.404 ' HG ' ' HB2' ' A' ' 761' ' ' SER . 4.2 tp -84.03 68.65 10.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.538 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.606 HG11 HD12 ' A' ' 794' ' ' LEU . 2.3 t -66.46 123.34 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.75 171.29 10.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 787' ' ' LYS . . . . . 0.651 ' HG2' ' HD2' ' A' ' 838' ' ' LYS . 60.3 mttt -87.04 -15.5 38.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 17.3 m -90.4 24.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.418 ' CE3' HG13 ' A' ' 785' ' ' VAL . 9.7 m0 -106.69 -173.7 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -134.7 178.3 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.748 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -64.9 -48.03 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 795' ' ' ILE . 3.9 p-10 -66.41 -45.36 80.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -25.65 68.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.606 HD12 HG11 ' A' ' 785' ' ' VAL . 1.6 tt -71.34 -53.45 14.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.839 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.6 OUTLIER -62.18 -28.45 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.36 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 1.4 mtm -68.92 -41.37 78.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 797' ' ' ALA . . . . . 0.421 ' HB1' HD21 ' A' ' 783' ' ' LEU . . . -64.1 -39.26 93.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 795' ' ' ILE . 11.8 mt -61.53 -39.57 83.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -47.94 83.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.687 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 60.0 m -67.2 -20.67 65.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.422 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 798' ' ' ILE . 13.7 tppt? -73.57 -31.51 63.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.645 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 798' ' ' ILE . 11.6 mt -78.97 -32.35 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.032 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 803' ' ' SER . . . . . 0.548 ' O ' HG22 ' A' ' 805' ' ' THR . 16.6 t -81.26 172.42 13.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.794 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.85 24.08 12.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 805' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 803' ' ' SER . 5.0 t -165.48 -38.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.44 177.2 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.726 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.17 145.72 51.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -99.88 9.82 42.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -86.74 -6.18 58.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.032 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 810' ' ' ILE . . . . . 0.404 HD11 HG21 ' A' ' 802' ' ' ILE . 1.1 pt -75.49 160.56 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.328 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 35.2 t -65.13 144.82 99.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.804 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.7 -179.5 2.06 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.507 2.138 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.416 HD11 HD12 ' A' ' 802' ' ' ILE . 0.2 OUTLIER -123.48 132.98 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.193 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 1.2 m -133.6 -24.51 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.826 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -136.54 141.34 43.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.77 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 1.4 pt -139.61 142.13 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.241 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 851' ' ' ILE . 52.1 mttt -99.88 123.34 44.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.522 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.43 ' HB2' ' CD2' ' A' ' 849' ' ' LEU . 35.5 p90 -107.37 147.15 30.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.944 0.402 . . . . 0.0 111.123 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -71.39 126.86 30.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -89.43 177.46 6.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -30.27 70.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.48 -12.54 60.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 89.32 24.59 30.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.425 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.18 139.02 54.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 111.013 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -68.73 127.25 32.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.588 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.95 149.66 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 12.2 t -73.84 144.06 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.303 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.5 OUTLIER -137.27 101.47 4.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.722 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -137.89 34.65 2.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.538 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.8 161.17 42.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -43.66 85.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.709 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.0 OUTLIER -62.69 -35.2 78.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.74 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.561 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -59.53 -35.37 74.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.449 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -72.93 -35.75 67.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.437 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -63.39 -41.61 98.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.545 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 832' ' ' GLU . 43.5 t -65.82 -36.3 77.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.727 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.26 87.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.802 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.651 ' HD2' ' HG2' ' A' ' 787' ' ' LYS . 26.3 mtmt -67.56 -42.43 82.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.457 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.72 -18.56 63.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.471 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.8 ttm -74.55 -45.12 47.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.582 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.761 HD21 HD13 ' A' ' 849' ' ' LEU . 6.5 mt -81.36 -15.33 55.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.561 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.04 -55.61 11.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -73.32 -36.73 66.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -73.98 -4.5 35.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 56.05 26.26 9.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.722 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.53 178.84 2.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.039 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -155.11 12.39 0.36 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -160.72 179.05 8.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.761 HD13 HD21 ' A' ' 841' ' ' LEU . 9.9 tp -166.05 155.29 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.417 ' O ' HD13 ' A' ' 851' ' ' ILE . 3.7 t-20 -107.49 135.04 49.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.717 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.519 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 22.2 mm -122.91 138.61 52.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.386 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 852' ' ' ARG . 0.9 OUTLIER -112.94 138.75 49.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.509 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.6 158.49 28.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.038 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.494 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.5 m-85 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.888 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.59 -58.08 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.527 2.151 . . . . 0.0 112.368 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.88 176.79 8.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.737 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -86.43 53.93 4.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.663 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 4.1 m -69.26 169.34 12.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.824 0.345 . . . . 0.0 110.74 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.6 132.49 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 848' ' ' PHE . 0.7 OUTLIER -79.16 112.41 16.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.886 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 764' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 782' ' ' THR . 0.1 OUTLIER -96.67 127.67 42.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.979 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -102.13 125.53 48.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.593 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 766' ' ' ILE . . . . . 0.641 HD11 HD23 ' A' ' 783' ' ' LEU . 1.0 OUTLIER -122.02 98.32 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.801 0.334 . . . . 0.0 111.317 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.87 91.78 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 768' ' ' TYR . . . . . 0.486 ' HE1' HD13 ' A' ' 810' ' ' ILE . 78.0 t80 -76.58 135.14 39.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.62 122.71 26.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -70.27 -64.33 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.768 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -102.66 -77.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 5.5 t -166.14 79.0 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -102.9 170.25 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -81.0 -172.45 3.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 2.5 t -78.38 -18.07 55.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 4.8 p -108.88 17.89 21.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.977 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 3.2 m -140.58 27.93 2.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.66 -176.13 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -115.61 89.61 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.767 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 13.4 mt -82.02 127.23 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.339 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.463 ' HE2' HG12 ' A' ' 802' ' ' ILE . 9.1 m-85 -103.98 142.88 33.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.618 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 782' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' ' 764' ' ' PHE . 62.1 p -119.77 110.18 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 783' ' ' LEU . . . . . 0.641 HD23 HD11 ' A' ' 766' ' ' ILE . 0.8 OUTLIER -119.95 154.76 33.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.013 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 1.9 mp -85.56 102.06 13.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.023 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.432 ' CG2' ' HB2' ' A' ' 764' ' ' PHE . 6.4 t -88.6 117.66 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -68.97 165.63 19.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -92.82 -21.31 19.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.793 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 28.0 m -83.3 2.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.407 ' CE3' HG13 ' A' ' 785' ' ' VAL . 21.2 m0 -78.25 -165.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.121 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -146.03 -164.59 2.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.435 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 791' ' ' PHE . . . . . 0.401 ' CZ ' ' HA2' ' A' ' 829' ' ' GLY . 42.0 t80 -76.06 -48.08 22.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 110.646 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.402 ' O ' HG22 ' A' ' 795' ' ' ILE . 9.4 t70 -66.13 -41.21 90.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -28.02 67.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.695 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 2.4 tt -70.62 -53.66 15.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.684 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.605 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -61.97 -25.46 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.01 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -37.55 63.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.37 97.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 795' ' ' ILE . 5.3 mt -68.51 -34.27 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.755 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -53.23 58.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.745 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -24.92 67.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.625 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -59.67 4.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.562 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.463 HG12 ' HE2' ' A' ' 781' ' ' PHE . 46.5 mt -58.92 -30.73 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.976 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 48.4 t -71.75 -29.95 65.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.1 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -38.49 80.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.78 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 9.8 t -94.99 177.29 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 59.66 -163.61 0.23 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.28 18.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.008 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.81 139.57 53.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -79.78 79.57 6.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.688 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 810' ' ' ILE . . . . . 0.486 HD13 ' HE1' ' A' ' 768' ' ' TYR . 1.1 pt -62.51 168.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.98 136.12 94.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.13 175.83 4.44 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.497 2.132 . . . . 0.0 112.12 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.809 HG12 HD11 ' A' ' 853' ' ' LEU . 1.8 mp -112.8 145.9 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.256 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.25 9.16 1.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.788 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -163.13 123.54 2.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.728 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 4.4 pt -138.63 137.13 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.454 ' HB2' ' HE1' ' A' ' 854' ' ' TYR . 0.6 OUTLIER -101.59 119.83 39.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.005 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 22.2 p90 -103.68 146.94 27.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.021 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -77.59 139.79 39.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -102.29 -168.66 1.56 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.02 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -19.71 63.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 822' ' ' ASP . . . . . 0.459 ' HB3' ' OD2' ' A' ' 824' ' ' ASP . 0.1 OUTLIER -88.57 -3.86 58.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.008 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 83.09 -7.34 67.36 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.569 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 824' ' ' ASP . . . . . 0.459 ' OD2' ' HB3' ' A' ' 822' ' ' ASP . 0.2 OUTLIER -86.75 136.9 32.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -73.53 125.17 27.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.86 157.53 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.007 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 2.7 t -76.79 155.28 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.614 HD12 ' HB3' ' A' ' 833' ' ' ASP . 7.5 tp -141.6 107.72 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 829' ' ' GLY . . . . . 0.401 ' HA2' ' CZ ' ' A' ' 791' ' ' PHE . . . -157.13 43.18 0.52 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.635 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 1.1 m -160.28 154.03 22.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.764 0.316 . . . . 0.0 110.971 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -35.43 80.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.0 OUTLIER -70.49 -38.29 74.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.795 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.614 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -57.24 -39.82 76.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.837 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -69.69 -37.38 76.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -60.53 -42.92 97.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.676 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 832' ' ' GLU . 21.8 t -68.81 -30.37 46.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.796 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -62.41 -42.73 99.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.783 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -64.53 -43.6 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.547 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.46 ' OE1' ' HA ' ' A' ' 836' ' ' VAL . 33.7 mt-10 -64.06 -27.91 69.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.595 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.3 ttm -66.78 -42.74 85.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.683 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.614 HD21 HD13 ' A' ' 849' ' ' LEU . 2.9 mt -83.43 -16.62 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.725 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.96 -36.39 41.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.227 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -93.31 -1.76 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -123.84 0.05 8.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 6.8 m120 56.87 22.45 7.09 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.534 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 3.2 mt-10 -68.39 127.01 31.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.016 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -110.89 15.18 21.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 763' ' ' LEU . 21.5 p90 -154.79 156.82 36.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.614 HD13 HD21 ' A' ' 841' ' ' LEU . 9.0 tp -148.43 124.8 10.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -83.24 117.03 22.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 851' ' ' ILE . . . . . . . . . . . . . 2.6 mm -117.02 141.85 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.234 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.65 134.47 54.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.395 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.809 HD11 HG12 ' A' ' 813' ' ' ILE . 16.6 tp -84.83 163.84 18.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 111.069 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.454 ' HE1' ' HB2' ' A' ' 817' ' ' LYS . 89.7 m-85 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.151 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.83 -4.23 13.65 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.611 2.207 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.09 165.84 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -81.72 89.96 1.43 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 761' ' ' SER . . . . . 0.547 ' HB2' HD23 ' A' ' 784' ' ' LEU . 0.3 OUTLIER -142.51 143.95 32.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.756 0.312 . . . . 0.0 110.878 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 7.2 mt -113.95 123.63 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.711 HD21 HG22 ' A' ' 782' ' ' THR . 2.4 tt -71.03 122.32 19.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.767 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.0 109.36 18.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 64.2 mtt180 -86.25 129.86 34.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.638 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 766' ' ' ILE . . . . . 0.435 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 2.0 mp -125.02 106.07 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.307 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 10.0 p -71.45 98.52 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 768' ' ' TYR . . . . . 0.617 ' HB3' ' HB2' ' A' ' 779' ' ' GLU . 88.7 t80 -84.2 130.48 34.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -127.66 148.94 50.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.82 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -71.49 -58.21 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -106.68 -65.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 6.7 t -166.53 -65.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -161.21 23.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -64.07 -37.99 89.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 14.7 t -129.46 176.43 7.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 80.2 p -100.28 -161.42 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 17.8 t 58.42 88.49 0.06 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.49 170.95 8.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.791 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 779' ' ' GLU . . . . . 0.617 ' HB2' ' HB3' ' A' ' 768' ' ' TYR . 3.7 mm-40 -112.49 83.4 1.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 30.2 mt -75.92 115.75 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.021 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 30.7 m-85 -88.58 153.05 21.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.043 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 782' ' ' THR . . . . . 0.711 HG22 HD21 ' A' ' 763' ' ' LEU . 33.5 p -124.29 83.46 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 783' ' ' LEU . . . . . 0.574 ' HB2' ' HE3' ' A' ' 801' ' ' LYS . 6.5 tp -97.78 116.0 29.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 784' ' ' LEU . . . . . 0.547 HD23 ' HB2' ' A' ' 761' ' ' SER . 4.7 mp -74.36 84.01 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.76 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.883 HG11 HD12 ' A' ' 794' ' ' LEU . 2.8 t -72.11 115.48 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.004 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.66 166.15 17.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -83.35 -26.63 30.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 18.2 m -74.97 3.7 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -87.88 -170.89 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.107 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -138.83 -168.1 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.511 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -74.08 -56.25 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.818 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -59.44 -38.68 81.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.52 -30.66 71.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.783 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.883 HD12 HG11 ' A' ' 785' ' ' VAL . 1.7 tt -68.8 -57.55 5.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.793 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.46 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.4 OUTLIER -59.88 -20.55 19.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.415 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 4.6 ttm -72.48 -48.69 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.101 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.85 84.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.41 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 795' ' ' ILE . 11.1 mt -57.96 -48.52 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.289 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -59.85 -29.89 68.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.42 -27.89 60.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.574 ' HE3' ' HB2' ' A' ' 783' ' ' LEU . 0.2 OUTLIER -74.74 -27.46 60.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.041 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.591 HD12 HD11 ' A' ' 813' ' ' ILE . 9.6 mt -82.9 -37.88 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.431 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 90.4 p -84.99 32.24 0.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.55 5.16 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.65 -39.88 0.71 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.376 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -107.02 149.84 27.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.982 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -107.1 -15.33 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.765 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -78.21 130.47 36.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.639 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -87.62 83.93 7.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.065 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -81.63 -171.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.44 114.92 13.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.22 171.75 0.51 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.675 2.25 . . . . 0.0 112.546 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.591 HD11 HD12 ' A' ' 802' ' ' ILE . 1.3 mp -84.55 -91.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.282 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.42 10.91 2.01 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.492 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.507 ' H ' HG22 ' A' ' 813' ' ' ILE . 0.3 OUTLIER -174.32 130.7 0.37 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.97 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.406 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 6.8 pt -146.49 144.06 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.975 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.588 ' HE2' HG22 ' A' ' 827' ' ' VAL . 10.0 mttt -108.19 122.51 47.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.425 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 30.9 p90 -100.21 143.3 30.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.058 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -68.52 123.28 20.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -85.58 -169.93 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.967 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.76 -33.09 66.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -78.31 2.72 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.2 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 79.41 1.3 85.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.44 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -95.42 128.68 42.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.8 0.333 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.53 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 82.8 m-85 -67.6 126.27 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.619 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.36 149.64 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.588 HG22 ' HE2' ' A' ' 817' ' ' LYS . 8.9 t -70.91 146.98 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.412 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.7 OUTLIER -134.28 95.25 3.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.685 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.76 31.23 2.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.546 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.97 156.92 42.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -43.6 98.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.41 -34.97 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.565 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -60.8 -37.99 83.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.427 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -71.37 -32.55 68.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.368 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -63.59 -44.16 94.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.779 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 46.2 t -69.61 -30.66 45.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -62.71 -44.9 95.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.8 -48.07 72.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.646 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -26.41 68.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.544 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.7 ttm -63.07 -59.93 4.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.752 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.658 HD21 HD13 ' A' ' 849' ' ' LEU . 4.5 mt -67.0 -12.79 60.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.59 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.41 -46.31 55.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -82.58 -13.95 55.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -103.61 -4.32 24.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.991 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 11.1 m120 54.8 32.02 16.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.616 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.54 176.05 5.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.076 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.06 2.54 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.173 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -153.29 169.24 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.658 HD13 HD21 ' A' ' 841' ' ' LEU . 10.9 tp -154.92 136.02 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -90.43 113.95 25.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.406 ' CG2' ' HB ' ' A' ' 816' ' ' ILE . 3.1 mm -114.26 134.43 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.174 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -106.13 137.91 43.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.526 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 854' ' ' TYR . 20.5 tp -86.34 164.47 17.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.815 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.476 ' N ' ' HG ' ' A' ' 853' ' ' LEU . 88.7 m-85 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.005 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.59 -0.204 . . . . 0.0 112.59 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.57 -18.95 48.85 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.592 2.195 . . . . 0.0 112.299 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 5.9 mp -74.48 88.87 2.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 78.58 78.31 0.83 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.409 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.87 178.04 7.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.92 143.33 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.19 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.98 104.51 16.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.744 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 764' ' ' PHE . . . . . 0.476 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -95.33 117.41 30.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -93.74 126.13 38.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.544 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 766' ' ' ILE . . . . . 0.63 HD13 HG23 ' A' ' 798' ' ' ILE . 6.0 mt -120.02 97.66 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.331 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.15 104.14 7.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 768' ' ' TYR . . . . . 0.447 ' OH ' ' HB3' ' A' ' 811' ' ' SER . 0.2 OUTLIER -110.39 115.95 30.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.687 179.707 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.05 37.06 3.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 770' ' ' ASN . . . . . 0.4 ' HB3' ' H ' ' A' ' 771' ' ' ASN . 64.2 t30 57.16 -91.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.222 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 771' ' ' ASN . . . . . 0.4 ' H ' ' HB3' ' A' ' 770' ' ' ASN . 1.2 t-20 -94.11 -76.83 0.47 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 2.2 t -164.45 89.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 1.2 m120 55.3 78.73 0.17 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -97.34 -166.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.791 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 3.9 t -67.78 -17.58 64.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.218 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.65 178.15 7.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 34.2 t -98.05 162.64 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.57 107.37 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.767 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.65 82.83 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 12.8 mt -79.62 108.26 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -82.85 134.61 35.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 78.3 p -109.15 85.96 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.059 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 783' ' ' LEU . . . . . 0.536 ' HB2' ' HE3' ' A' ' 801' ' ' LYS . 6.5 tp -98.05 122.92 41.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.09 83.13 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.753 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.771 HG11 HD12 ' A' ' 794' ' ' LEU . 12.8 t -68.61 117.27 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -67.99 152.29 45.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.759 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.93 -13.92 59.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 26.6 m -94.11 18.58 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.513 ' CE3' HG13 ' A' ' 785' ' ' VAL . 15.2 m0 -98.83 177.71 5.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.89 -179.4 4.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.686 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -61.38 -57.23 13.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -41.69 93.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.039 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.72 -23.02 66.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.771 HD12 HG11 ' A' ' 785' ' ' VAL . 0.8 OUTLIER -76.13 -51.08 12.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.956 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.619 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -66.37 -27.68 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.217 -179.747 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 3.9 mtm -72.1 -39.62 68.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.07 97.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.63 HG23 HD13 ' A' ' 766' ' ' ILE . 27.2 mt -59.96 -53.02 54.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.214 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -59.66 -29.32 67.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.769 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.89 -29.62 64.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.625 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.536 ' HE3' ' HB2' ' A' ' 783' ' ' LEU . 0.4 OUTLIER -70.49 -37.11 74.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.065 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 18.1 mt -71.99 -46.86 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.262 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -11.64 57.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.185 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -82.47 1.4 37.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 805' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 806' ' ' HIS . 0.1 OUTLIER -156.16 -65.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.21 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.485 ' H ' HG23 ' A' ' 805' ' ' THR . 0.2 OUTLIER -72.48 -171.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.959 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -95.25 -168.67 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -120.7 29.25 7.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -92.3 2.81 56.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.2 pt -96.14 -170.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.447 ' HB3' ' OH ' ' A' ' 768' ' ' TYR . 12.4 t -75.73 135.61 71.24 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.05 0.36 8.49 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.586 2.19 . . . . 0.0 112.396 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.748 HG12 HD21 ' A' ' 853' ' ' LEU . 2.0 mp 60.05 98.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.194 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.54 -14.88 16.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.25 147.24 17.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.99 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.435 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 5.6 pt -141.62 141.27 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.422 ' HG2' ' HA ' ' A' ' 827' ' ' VAL . 7.2 mttt -100.62 123.86 45.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.148 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.478 ' HD1' ' HB2' ' A' ' 828' ' ' LEU . 34.8 p90 -102.54 148.01 26.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.572 ' O ' HD11 ' A' ' 849' ' ' LEU . 4.0 tt0 -73.8 128.01 34.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.759 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.37 -168.63 1.18 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.747 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -0.28 49.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -117.96 9.2 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 78.24 10.77 85.96 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.461 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.52 117.61 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 110.966 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -61.73 132.93 54.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.03 152.38 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.422 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 7.0 t -70.63 145.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.271 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.478 ' HB2' ' HD1' ' A' ' 818' ' ' TYR . 4.0 tp -132.49 96.09 3.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.749 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -141.12 19.05 2.69 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.557 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 830' ' ' SER . . . . . 0.411 ' HB2' ' OD1' ' A' ' 833' ' ' ASP . 14.7 m -134.63 153.44 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.336 . . . . 0.0 110.803 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.58 -42.63 91.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -30.91 71.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.452 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -63.43 -45.02 92.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.819 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.423 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 34.2 t-105 -65.0 -35.74 82.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.708 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.508 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 2.2 m-80 -61.81 -52.86 62.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.41 -34.78 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.0 83.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.508 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 3.4 mtmt -65.03 -45.49 85.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.706 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.16 -23.55 66.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.724 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 3.0 ttm -69.08 -55.07 11.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.712 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.696 HD21 HD13 ' A' ' 849' ' ' LEU . 2.8 mt -75.44 -9.34 58.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.051 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.36 -49.62 13.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.281 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.65 1.49 49.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.13 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.5 OUTLIER -117.89 -7.61 10.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.086 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 7.3 m120 54.96 29.29 11.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.739 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -52.24 65.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.122 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.34 17.05 7.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.367 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -165.46 161.12 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.683 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.696 HD13 HD21 ' A' ' 841' ' ' LEU . 9.7 tp -161.24 140.44 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.39 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.12 120.43 31.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.708 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.443 HG13 ' CD2' ' A' ' 764' ' ' PHE . 4.2 mm -116.97 142.69 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.34 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -108.79 135.22 50.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.757 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.748 HD21 HG12 ' A' ' 813' ' ' ILE . 0.2 OUTLIER -89.26 140.65 29.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.513 ' N ' HD13 ' A' ' 853' ' ' LEU . 91.4 m-85 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.074 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -68.99 -47.55 1.13 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.514 2.143 . . . . 0.0 112.179 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.42 -65.47 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 161.6 90.84 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.593 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.47 151.86 44.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 762' ' ' ILE . . . . . 0.516 HG21 HD13 ' A' ' 841' ' ' LEU . 2.0 mp -122.11 131.92 72.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.489 HD11 ' HB ' ' A' ' 782' ' ' THR . 0.6 OUTLIER -76.77 106.85 8.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.808 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.93 126.6 37.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.543 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 3.7 mtt85 -102.37 133.35 47.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.627 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 766' ' ' ILE . . . . . 0.668 HD12 ' HB2' ' A' ' 781' ' ' PHE . 4.2 mt -124.17 97.31 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 111.239 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 32.6 p -78.22 79.9 4.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -69.23 134.14 48.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.709 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -129.68 172.74 11.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.745 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -120.86 -53.91 2.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.037 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -150.26 43.1 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.75 27.29 12.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.039 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -157.16 -40.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 60.86 175.23 0.1 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.166 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 7.0 t -102.02 -11.2 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.73 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 5.1 t -158.75 59.7 0.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.729 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.09 174.52 0.13 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.107 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.13 162.14 21.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -126.56 113.08 16.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.486 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.2 mt -103.97 122.04 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.01 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.699 ' HB3' ' HD2' ' A' ' 801' ' ' LYS . 19.6 m-85 -85.57 159.33 19.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 782' ' ' THR . . . . . 0.489 ' HB ' HD11 ' A' ' 763' ' ' LEU . 66.6 p -138.66 94.5 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 783' ' ' LEU . . . . . 0.653 ' HB3' ' HE3' ' A' ' 801' ' ' LYS . 0.3 OUTLIER -117.81 151.45 37.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 -179.754 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.0 mp -86.76 123.94 32.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.652 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 3.1 t -108.13 118.52 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -71.6 163.73 27.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -85.83 -23.74 27.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 16.4 m -79.21 7.64 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -82.85 -166.19 1.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.158 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -148.6 -171.74 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.536 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -70.5 -47.34 60.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.816 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.41 ' O ' HG22 ' A' ' 795' ' ' ILE . 3.7 t0 -67.65 -41.06 84.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -65.71 -30.76 71.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.939 0.4 . . . . 0.0 110.615 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -55.64 10.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.836 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.793 ' HA ' HD12 ' A' ' 798' ' ' ILE . 1.5 tp -60.21 -23.21 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -51.75 49.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.656 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -59.03 -36.17 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.688 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.793 HD12 ' HA ' ' A' ' 795' ' ' ILE . 25.1 mt -66.44 -38.84 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.915 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -45.19 95.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.793 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 2.2 t -62.16 -31.19 71.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.781 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.699 ' HD2' ' HB3' ' A' ' 781' ' ' PHE . 4.7 mmtt -66.37 -36.96 84.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.524 HG21 HD11 ' A' ' 810' ' ' ILE . 10.6 mt -73.07 -27.93 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 10.3 t -95.35 25.72 4.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -115.36 -47.99 2.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.773 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 4.8 t -82.99 -33.46 26.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.29 119.75 37.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.801 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -65.13 -14.96 61.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -94.27 177.37 5.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -123.03 98.58 5.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 810' ' ' ILE . . . . . 0.524 HD11 HG21 ' A' ' 802' ' ' ILE . 2.8 pt -73.78 175.14 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.84 142.24 97.31 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.958 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.94 124.97 16.43 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.65 2.233 . . . . 0.0 112.334 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.512 HG13 HD11 ' A' ' 853' ' ' LEU . 26.6 mm -97.38 128.89 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.977 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.49 21.58 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.35 108.8 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.469 HD12 HG21 ' A' ' 851' ' ' ILE . 5.9 pt -128.53 153.05 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.019 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.481 ' NZ ' HG22 ' A' ' 827' ' ' VAL . 13.2 mttp -111.6 119.8 39.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.21 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.514 ' HB2' HD21 ' A' ' 849' ' ' LEU . 31.8 p90 -97.02 144.7 26.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.411 ' O ' HD11 ' A' ' 849' ' ' LEU . 9.8 tt0 -76.75 109.19 10.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.04 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.12 171.57 8.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.765 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 821' ' ' GLU . . . . . 0.486 ' HB3' ' HG2' ' A' ' 840' ' ' MET . 2.0 pt-20 -67.43 -12.65 60.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.978 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -85.15 0.92 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 73.96 28.69 64.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.348 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.34 134.45 41.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -69.18 126.34 29.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.85 152.82 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.481 HG22 ' NZ ' ' A' ' 817' ' ' LYS . 2.7 t -72.28 142.97 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.493 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.4 OUTLIER -137.72 95.04 2.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -135.57 17.06 4.01 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.479 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 14.2 m -130.1 166.94 19.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.763 0.316 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -70.23 -47.08 62.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.39 -28.18 69.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.747 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.493 ' HB3' HD12 ' A' ' 828' ' ' LEU . 1.0 OUTLIER -63.66 -38.88 92.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.614 179.81 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -72.4 -34.29 67.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.608 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -62.83 -48.44 79.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.652 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.11 -33.36 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.857 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.63 -42.59 88.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.783 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -63.97 -42.69 97.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.558 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.06 -29.66 70.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.492 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.486 ' HG2' ' HB3' ' A' ' 821' ' ' GLU . 2.6 tmm? -64.09 -43.78 94.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.422 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.65 HD21 HD13 ' A' ' 849' ' ' LEU . 6.4 mt -74.47 -20.9 59.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.505 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -71.02 160.29 33.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.829 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 62.07 9.43 3.1 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.014 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -140.29 -3.13 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 56.47 26.97 11.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 23.9 mt-10 -67.81 98.95 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.633 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.27 29.01 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.038 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -159.79 160.61 34.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.65 HD13 HD21 ' A' ' 841' ' ' LEU . 13.9 tp -157.88 146.6 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -104.15 118.41 36.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.469 HG21 HD12 ' A' ' 816' ' ' ILE . 3.2 mm -118.2 138.46 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.085 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.414 ' HB3' ' CE1' ' A' ' 854' ' ' TYR . 0.1 OUTLIER -104.57 139.55 39.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.651 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.566 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -90.37 144.4 25.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.566 ' H ' HD13 ' A' ' 853' ' ' LEU . 87.0 m-85 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.158 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.21 -54.95 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.636 2.224 . . . . 0.0 112.282 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 58.17 -167.41 0.14 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -86.77 53.53 4.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.428 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 31.2 m -114.84 -173.55 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.708 0.289 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 10.6 mt -132.01 126.72 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.43 119.76 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.591 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 764' ' ' PHE . . . . . 0.444 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -107.44 110.46 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 765' ' ' ARG . 23.3 mtt-85 -90.87 125.23 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.554 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 766' ' ' ILE . . . . . 0.587 HD13 HG23 ' A' ' 798' ' ' ILE . 3.0 mt -120.96 95.06 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.268 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.89 96.06 2.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.704 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 768' ' ' TYR . . . . . 0.482 ' OH ' ' HB ' ' A' ' 810' ' ' ILE . 29.8 t80 -80.97 116.78 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -128.37 -26.87 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.471 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 9.4 t30 56.92 17.27 3.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.312 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -171.69 -164.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.79 98.4 2.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.744 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.68 56.78 4.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -134.17 -24.02 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.26 -177.16 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 3.1 m -112.32 90.01 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.754 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.8 125.38 3.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.957 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.01 102.31 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -111.97 93.39 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.021 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.455 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 30.4 mt -79.96 104.43 8.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -82.92 140.11 33.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.996 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 75.8 p -111.99 103.92 12.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.971 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 783' ' ' LEU . . . . . 0.583 ' HG ' ' HE3' ' A' ' 801' ' ' LYS . 1.0 OUTLIER -111.9 125.67 54.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.73 78.8 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.634 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.754 HG11 HD12 ' A' ' 794' ' ' LEU . 3.6 t -67.81 115.05 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.229 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.75 169.08 18.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -87.43 -12.49 45.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 16.9 m -87.65 -3.06 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.522 ' HE3' HG13 ' A' ' 785' ' ' VAL . 14.8 m0 -81.37 -177.96 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.055 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -131.16 -165.71 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.733 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -75.05 -56.89 4.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.014 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.7 -37.86 85.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.991 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -31.24 72.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.754 HD12 HG11 ' A' ' 785' ' ' VAL . 1.1 tt -71.01 -56.12 6.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.602 HD11 HG22 ' A' ' 813' ' ' ILE . 0.8 OUTLIER -58.94 -29.39 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.363 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 14.5 ttm -76.97 -30.98 56.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.15 79.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.037 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.587 HG23 HD13 ' A' ' 766' ' ' ILE . 6.5 mt -72.21 -53.06 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.2 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -53.71 -43.68 69.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 15.6 t -66.92 -34.71 78.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.709 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.583 ' HE3' ' HG ' ' A' ' 783' ' ' LEU . 0.0 OUTLIER -63.13 -28.69 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.801 179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 798' ' ' ILE . 22.6 mt -80.79 -31.89 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.148 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 31.4 t -80.66 7.92 9.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -66.18 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.808 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 5.2 t -86.24 -16.33 38.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.84 -170.44 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -97.04 165.84 11.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.948 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -96.92 33.84 1.82 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -99.03 18.32 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 810' ' ' ILE . . . . . 0.482 ' HB ' ' OH ' ' A' ' 768' ' ' TYR . 1.1 pt -110.08 -168.66 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.256 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.445 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 2.8 m -64.53 117.5 38.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.018 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 21.9 Cg_exo -65.27 -3.04 6.72 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.602 HG22 HD11 ' A' ' 795' ' ' ILE . 3.3 mt 63.05 107.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.288 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.54 -10.03 10.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -157.75 137.74 12.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 22.1 pt -141.59 148.53 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 11.8 mttt -114.04 131.29 56.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.009 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.426 ' HB2' ' CD2' ' A' ' 849' ' ' LEU . 35.5 p90 -107.36 152.19 24.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.093 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.42 ' O ' HD11 ' A' ' 849' ' ' LEU . 4.4 tt0 -72.7 122.82 22.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -82.85 -165.84 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.87 -37.61 73.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.32 -2.49 35.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 87.04 -4.19 86.49 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.44 136.57 33.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.748 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.447 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 59.5 m-85 -71.02 124.05 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.806 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.38 157.78 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.433 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 2.8 t -69.47 149.38 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.231 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.865 HD12 ' HB3' ' A' ' 833' ' ' ASP . 3.8 tp -139.13 88.38 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.721 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -137.24 47.24 0.96 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.558 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 24.5 p -165.95 157.74 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -64.03 -41.5 97.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.8 tp10 -63.84 -34.88 78.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.865 ' HB3' HD12 ' A' ' 828' ' ' LEU . 1.1 m-20 -59.69 -38.74 82.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.739 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.464 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 30.1 t-105 -70.42 -34.85 72.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.503 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 835' ' ' ASN . . . . . 0.518 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 9.0 m120 -62.55 -47.95 81.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.795 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 832' ' ' GLU . 19.6 t -65.07 -28.94 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.955 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 840' ' ' MET . . . -62.8 -50.83 69.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.986 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.518 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 2.0 mtmp? -63.4 -47.18 83.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.717 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -26.48 67.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.627 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.404 ' HB3' ' O ' ' A' ' 837' ' ' ALA . 42.5 ttp -66.08 -49.07 68.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.6 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.733 HD21 HD13 ' A' ' 849' ' ' LEU . 3.9 mt -71.25 -14.47 62.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.554 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.69 -50.1 14.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.358 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -78.09 -10.14 59.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.31 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -107.69 2.18 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.064 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 56.61 22.67 6.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.484 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 10.1 mm-40 -67.71 -174.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.032 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.64 -29.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -130.67 -172.54 2.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.733 HD13 HD21 ' A' ' 841' ' ' LEU . 11.9 tp -164.1 148.78 10.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.794 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.426 ' O ' HD13 ' A' ' 851' ' ' ILE . 54.4 m-80 -98.21 128.11 44.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.953 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 850' ' ' ASN . 4.1 mm -125.63 137.26 58.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.195 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.47 141.53 47.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.56 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.5 ' HG ' ' N ' ' A' ' 854' ' ' TYR . 19.9 tp -88.57 163.75 15.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.5 ' N ' ' HG ' ' A' ' 853' ' ' LEU . 89.9 m-85 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.096 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.42 -12.47 27.31 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.591 2.194 . . . . 0.0 112.431 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -24.7 65.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -166.87 -129.22 1.04 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.635 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 1.2 m 65.36 158.34 0.1 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.918 0.39 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 12.7 mt -134.17 137.97 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.212 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.48 131.11 34.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.513 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.95 96.94 5.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.315 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 26.3 mtt180 -78.9 132.47 36.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.357 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 766' ' ' ILE . . . . . 0.53 HD13 HG23 ' A' ' 798' ' ' ILE . 4.4 mt -119.64 106.55 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 111.434 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 767' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 779' ' ' GLU . 7.7 t -87.23 83.22 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.846 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 768' ' ' TYR . . . . . 0.405 ' HD1' HD22 ' A' ' 853' ' ' LEU . 65.8 t80 -74.37 135.36 42.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.8 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -111.88 174.25 5.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -111.74 -52.16 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.699 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -131.11 32.09 4.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.657 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 7.7 t 57.08 73.19 0.47 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.4 163.36 13.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -85.36 -62.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.784 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.91 102.55 3.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.46 -59.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 2.1 p -153.78 99.67 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.39 151.34 47.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 779' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 767' ' ' SER . 13.1 mt-10 -112.13 146.92 37.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 19.8 mt -130.22 111.95 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.523 ' HB2' HD12 ' A' ' 766' ' ' ILE . 7.1 m-85 -88.38 167.98 13.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.793 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 71.4 p -134.01 104.88 6.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.058 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 13.6 tp -109.65 129.09 55.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.79 83.37 8.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.624 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 794' ' ' LEU . 2.6 t -74.86 127.3 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.203 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.12 167.28 19.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -86.79 -21.74 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 27.2 m -86.17 22.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.964 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -98.52 -170.84 2.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.204 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -132.72 -162.62 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.554 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -85.79 -48.4 8.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.77 -35.33 79.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -69.87 -26.67 64.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.469 HD12 HG11 ' A' ' 785' ' ' VAL . 0.5 OUTLIER -72.76 -48.47 38.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.948 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.506 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.6 OUTLIER -67.22 -24.13 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.207 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -47.99 56.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.05 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.12 96.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.248 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.53 HG23 HD13 ' A' ' 766' ' ' ILE . 35.3 mt -58.0 -45.12 88.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -58.67 -35.57 72.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.688 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 7.9 t -66.18 -35.87 81.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.462 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.403 ' HG2' ' HB3' ' A' ' 781' ' ' PHE . 0.0 OUTLIER -63.56 -34.08 77.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.505 179.629 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.578 HG21 HG12 ' A' ' 810' ' ' ILE . 17.5 mt -79.75 -32.75 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.348 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 2.1 t -78.26 5.7 9.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -88.18 -25.77 22.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.673 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 8.1 t -154.22 170.4 21.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 1.1 t60 60.57 97.06 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.033 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.94 -167.08 0.16 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -79.99 -79.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.031 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -151.67 123.76 8.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 810' ' ' ILE . . . . . 0.578 HG12 HG21 ' A' ' 802' ' ' ILE . 1.1 pt -82.82 -163.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.69 142.51 71.19 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.688 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.33 -12.51 36.1 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.527 2.151 . . . . 0.0 112.506 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.799 HG12 HD11 ' A' ' 853' ' ' LEU . 2.2 mt 65.38 125.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 25.2 p -107.89 -25.52 11.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.526 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.81 140.91 33.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 111.278 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.409 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 0.9 OUTLIER -131.58 143.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.85 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.548 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 8.2 mttt -93.17 107.78 19.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.159 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.508 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 30.6 p90 -97.17 136.61 37.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.561 ' O ' HD11 ' A' ' 849' ' ' LEU . 34.6 tt0 -62.19 127.44 31.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -84.43 -174.92 5.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.57 -23.46 63.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.988 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.48 -9.52 44.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 102.64 -25.1 28.7 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.68 124.24 23.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.455 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 88.8 m-85 -67.8 123.95 21.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.38 158.35 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.066 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 14.4 t -76.89 149.95 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.426 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.764 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.4 OUTLIER -137.76 113.9 10.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.726 179.803 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -152.94 33.7 0.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.11 162.99 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.32 -34.98 73.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.3 OUTLIER -71.11 -34.76 71.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.016 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.764 ' HB3' HD12 ' A' ' 828' ' ' LEU . 1.5 m-20 -60.35 -42.72 96.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.651 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 33.4 t-105 -67.81 -35.85 79.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.565 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -60.9 -50.66 72.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 832' ' ' GLU . 22.0 t -62.45 -29.41 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.7 99.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -63.55 -47.12 82.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.705 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.01 -31.47 71.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.78 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.443 ' HE1' ' O ' ' A' ' 819' ' ' GLN . 1.8 ttm -60.79 -47.41 86.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.647 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.71 HD21 HD13 ' A' ' 849' ' ' LEU . 2.2 mt -79.53 -8.75 59.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.778 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -77.75 -44.17 28.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.322 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -88.82 -20.34 24.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -93.52 -2.14 54.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.043 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.04 26.76 10.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -81.48 134.13 35.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 21.09 13.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.057 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -162.23 153.96 18.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.885 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.71 HD13 HD21 ' A' ' 841' ' ' LEU . 8.9 tp -148.04 130.68 15.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.109 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -88.86 127.27 35.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.696 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 9.5 mm -112.48 148.21 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.947 0.403 . . . . 0.0 111.317 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -121.33 123.65 42.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.559 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.799 HD11 HG12 ' A' ' 813' ' ' ILE . 11.6 tp -67.85 165.07 18.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.548 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.3 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.066 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 758' ' ' PRO . . . . . 0.538 ' HG2' ' H ' ' A' ' 759' ' ' LEU . 73.9 Cg_endo -73.0 -62.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.662 2.241 . . . . 0.0 112.314 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 759' ' ' LEU . . . . . 0.538 ' H ' ' HG2' ' A' ' 758' ' ' PRO . 0.2 OUTLIER -139.94 38.11 1.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 -179.85 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -153.72 -160.23 9.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.576 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 761' ' ' SER . . . . . 0.403 ' O ' HG13 ' A' ' 762' ' ' ILE . 1.2 p 60.25 173.04 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.918 0.389 . . . . 0.0 111.208 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 762' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 761' ' ' SER . 3.1 mt -141.26 138.28 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.524 HD11 ' HB ' ' A' ' 782' ' ' THR . 0.2 OUTLIER -77.32 131.76 38.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.684 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 764' ' ' PHE . . . . . 0.448 ' CE2' HD11 ' A' ' 794' ' ' LEU . 0.1 OUTLIER -123.4 104.47 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.008 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -79.72 125.97 30.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.68 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 766' ' ' ILE . . . . . 0.81 HD13 HG23 ' A' ' 798' ' ' ILE . 10.4 mt -116.0 88.44 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 111.137 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 51.5 p -75.97 80.46 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -69.1 128.87 38.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -101.04 137.42 39.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.726 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.99 103.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.982 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 21.2 t30 59.19 -90.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.001 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.13 71.63 0.11 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -161.54 159.58 27.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -95.04 45.22 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 9.1 p -116.38 161.75 18.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.29 -166.88 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 12.0 p -97.86 173.8 6.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 54.6 m -111.32 158.7 18.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -117.84 97.31 5.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.084 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 19.1 mt -85.54 120.38 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.504 ' HB3' ' HG2' ' A' ' 801' ' ' LYS . 48.3 m-85 -105.52 122.06 45.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 782' ' ' THR . . . . . 0.524 ' HB ' HD11 ' A' ' 763' ' ' LEU . 43.2 p -82.61 129.28 34.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 783' ' ' LEU . . . . . 0.511 HD13 ' HE3' ' A' ' 801' ' ' LYS . 38.9 tp -125.19 139.87 53.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.2 70.21 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.694 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.484 HG22 HD23 ' A' ' 783' ' ' LEU . 1.9 t -65.04 140.28 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.173 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -101.16 163.83 12.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.727 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -79.2 -24.61 43.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 23.0 m -84.38 23.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -102.16 -177.67 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -132.19 -170.98 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.685 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -75.68 -49.58 17.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 792' ' ' ASP . . . . . 0.5 ' O ' HG22 ' A' ' 795' ' ' ILE . 2.0 p-10 -64.08 -40.12 95.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.999 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.56 -28.11 68.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.448 HD11 ' CE2' ' A' ' 764' ' ' PHE . 1.5 tt -69.01 -54.32 15.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 792' ' ' ASP . 0.4 OUTLIER -59.98 -27.02 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.27 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 17.7 ttp -70.1 -41.41 74.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.74 97.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.81 HG23 HD13 ' A' ' 766' ' ' ILE . 44.2 mt -62.01 -41.5 91.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.807 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.31 -35.69 76.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.757 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 2.7 t -70.75 -29.75 66.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.71 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.511 ' HE3' HD13 ' A' ' 783' ' ' LEU . 0.0 OUTLIER -68.51 -34.81 76.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.811 179.847 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 798' ' ' ILE . 7.5 mt -77.85 -35.56 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.809 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 5.0 p -84.27 5.31 27.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.828 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.42 -45.78 7.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.778 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 2.3 t -90.6 -32.35 16.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.63 142.23 36.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -100.69 10.33 41.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -97.67 163.79 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.19 92.97 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.1 pt -84.86 179.5 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.51 128.3 93.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.761 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -67.06 135.52 37.8 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.452 2.101 . . . . 0.0 112.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.42 136.17 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.329 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 1.4 p -122.02 -37.44 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -141.01 139.7 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.506 HD12 HG21 ' A' ' 851' ' ' ILE . 10.8 pt -138.01 156.93 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.023 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.474 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 4.9 mttp -111.14 124.84 52.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.028 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -106.51 145.57 31.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.526 ' O ' HD11 ' A' ' 849' ' ' LEU . 0.0 OUTLIER -68.36 121.87 17.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.975 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.95 -171.39 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.33 -17.18 58.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.73 -6.05 47.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.952 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 91.84 3.26 68.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.17 136.61 37.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.474 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 96.9 m-85 -73.98 124.7 26.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.19 158.82 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 4.9 t -79.74 141.44 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.287 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -127.88 108.86 11.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.795 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -150.65 38.54 0.87 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.641 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.61 149.39 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.74 0.305 . . . . 0.0 110.83 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -60.38 -30.06 69.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 836' ' ' VAL . 5.9 tt0 -72.29 -33.59 67.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.43 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -60.79 -47.6 85.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.653 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -64.38 -35.54 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -60.51 -54.7 42.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.663 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 832' ' ' GLU . 38.5 t -60.74 -29.08 44.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.687 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.19 92.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.863 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -66.8 -45.76 77.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.554 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -63.28 -31.58 72.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.853 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.481 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 39.8 ttp -61.52 -57.71 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.808 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.795 HD21 HD13 ' A' ' 849' ' ' LEU . 4.6 mt -69.18 -20.81 64.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.785 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.0 -46.34 81.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.304 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -87.66 -27.0 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.5 OUTLIER -83.59 0.88 44.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 56.35 24.85 8.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.493 ' HB3' HD22 ' A' ' 841' ' ' LEU . 0.8 OUTLIER -82.32 133.75 35.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.752 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.34 9.25 18.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.217 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -154.83 159.16 40.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.795 HD13 HD21 ' A' ' 841' ' ' LEU . 11.9 tp -140.64 156.75 46.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.53 115.9 30.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.733 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.506 HG21 HD12 ' A' ' 816' ' ' ILE . 3.5 mm -115.58 153.87 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.176 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -126.54 136.35 52.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.522 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.506 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -86.31 146.93 26.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.506 ' H ' HD13 ' A' ' 853' ' ' LEU . 92.6 m-85 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.087 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.379 -0.288 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.38 -29.43 16.82 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.431 2.087 . . . . 0.0 112.374 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.57 -47.34 11.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 166.1 -100.49 0.17 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 2.8 m 62.02 172.94 0.13 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.019 0.438 . . . . 0.0 111.397 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 4.6 mt -141.1 134.48 31.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.957 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.513 HD21 HG22 ' A' ' 782' ' ' THR . 0.6 OUTLIER -80.86 121.97 26.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.589 179.69 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.78 102.43 11.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.185 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -81.13 125.06 29.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.364 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 766' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 5.6 mt -116.07 107.21 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.197 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.46 77.81 9.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.24 132.99 36.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -117.78 -42.34 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.54 77.88 0.21 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 4.3 m120 56.96 46.57 19.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.87 -166.29 0.15 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.168 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -145.47 -173.21 4.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -92.6 -1.28 57.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.14 22.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.298 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 5.4 p 55.12 25.2 6.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.54 99.6 3.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.56 139.64 36.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -106.54 95.5 5.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 17.0 mt -85.76 107.06 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.493 ' HB2' HD12 ' A' ' 766' ' ' ILE . 52.4 m-85 -88.12 143.88 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.788 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 782' ' ' THR . . . . . 0.513 HG22 HD21 ' A' ' 763' ' ' LEU . 76.9 p -111.66 106.75 15.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 1.3 tt -108.28 121.71 45.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.805 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.17 76.06 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.483 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.404 HG11 HD12 ' A' ' 794' ' ' LEU . 13.4 t -69.63 129.68 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.38 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -76.1 -174.07 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.769 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -112.81 -19.38 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.7 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 6.6 m -88.62 13.58 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -88.61 178.69 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.206 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -121.21 -161.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.721 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -80.77 -54.13 5.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.64 -40.56 95.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -31.51 72.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.678 HD21 HD11 ' A' ' 816' ' ' ILE . 0.6 OUTLIER -68.1 -53.73 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.724 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -63.78 -25.58 38.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 3.0 mtm -73.8 -40.39 63.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.9 -36.65 84.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' A' ' 795' ' ' ILE . 14.3 mt -66.29 -41.9 89.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.775 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -61.34 -45.75 93.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.711 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 39.7 t -65.5 -25.94 67.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.507 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -55.73 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.407 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 4.4 mt -66.27 -20.8 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.702 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 4.4 t -87.38 11.04 15.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.67 -30.81 11.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 9.3 t -137.41 175.28 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.921 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 60.48 -171.61 0.14 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -61.13 155.14 21.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -122.8 45.56 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.92 15.46 1.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.8 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.6 pt -81.91 165.56 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.165 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.97 139.81 95.76 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.04 -170.67 0.66 Allowed 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.539 2.159 . . . . 0.0 112.445 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 2.4 mp -129.35 120.75 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 37.9 p -101.04 -21.51 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.25 148.92 26.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.678 HD11 HD21 ' A' ' 794' ' ' LEU . 4.7 pt -135.94 136.26 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.191 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.552 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 43.6 mttt -88.35 131.02 34.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.964 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.468 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 30.7 p90 -115.59 142.12 47.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.843 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.62 135.63 51.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.026 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -99.98 -165.97 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -12.81 60.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.37 -8.73 41.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.044 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 94.39 -19.48 53.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.594 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.78 163.16 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.491 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 66.7 m-85 -97.95 118.46 34.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.641 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.85 153.35 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.283 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 40.9 t -78.6 138.13 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 818' ' ' TYR . 0.8 OUTLIER -121.12 104.64 9.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.799 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -140.03 24.7 2.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.641 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 1.6 m -144.83 150.26 36.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -33.37 74.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.98 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.1 OUTLIER -68.6 -31.84 71.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.43 -46.94 83.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -63.38 -35.8 81.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.717 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -60.9 -51.66 68.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 832' ' ' GLU . 39.8 t -60.89 -32.84 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.1 88.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.759 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -63.83 -44.0 94.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.508 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.42 -22.99 65.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.86 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 41.1 ttp -71.51 -40.12 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.72 HD21 HD13 ' A' ' 849' ' ' LEU . 3.6 mt -87.72 -8.89 55.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -83.93 -26.36 29.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -98.35 11.15 38.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -140.7 4.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 58.75 17.06 4.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 841' ' ' LEU . 3.0 mt-10 -66.04 121.46 15.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.739 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.48 28.12 8.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -163.11 170.26 18.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.033 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.72 HD13 HD21 ' A' ' 841' ' ' LEU . 11.7 tp -162.72 146.75 11.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.768 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.454 ' O ' HD13 ' A' ' 851' ' ' ILE . 68.1 m-20 -95.96 134.45 38.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.516 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 29.5 mm -123.27 134.66 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.183 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -111.68 133.3 54.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.71 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.95 168.14 19.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.552 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 3.0 m-85 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.918 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.4 -32.19 5.14 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.614 2.209 . . . . 0.0 112.362 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.35 105.41 15.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 118.53 28.01 2.23 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.39 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 761' ' ' SER . . . . . 0.404 ' C ' HG13 ' A' ' 762' ' ' ILE . 4.2 m -124.75 171.56 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 762' ' ' ILE . . . . . 0.404 HG13 ' C ' ' A' ' 761' ' ' SER . 4.1 mt -136.19 128.29 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.72 106.39 7.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.534 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.06 112.69 23.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.242 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 23.7 mtt180 -89.44 118.87 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.372 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 766' ' ' ILE . . . . . 0.57 HD13 HG23 ' A' ' 798' ' ' ILE . 3.2 mt -116.01 97.88 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 111.257 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.27 81.53 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -72.27 140.36 48.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.515 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -117.91 119.8 35.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -71.92 -17.85 62.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -147.21 147.59 30.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.35 179.23 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 4.9 t30 65.51 135.26 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.296 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 56.66 -166.31 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.992 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 2.9 t -127.13 150.08 49.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 19.0 t -154.53 -76.12 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.43 171.43 14.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 9.2 m -153.45 152.11 30.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.032 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -119.17 80.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' A' ' 765' ' ' ARG . 7.9 mt -68.77 116.68 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.238 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.56 ' HB2' HD12 ' A' ' 766' ' ' ILE . 30.6 m-85 -88.45 170.4 10.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 26.1 p -141.73 92.04 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.028 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 783' ' ' LEU . . . . . 0.734 ' HG ' ' HE3' ' A' ' 801' ' ' LYS . 0.2 OUTLIER -101.09 133.78 45.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.108 -179.748 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 74.72 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.472 HG13 ' CE3' ' A' ' 789' ' ' TRP . 4.3 t -64.38 138.64 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.2 169.65 9.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.826 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -94.55 -3.77 49.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.768 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 16.3 m -102.59 9.18 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.472 ' CE3' HG13 ' A' ' 785' ' ' VAL . 23.6 m0 -87.51 -173.25 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -137.21 -172.28 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.522 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -70.99 -41.37 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.61 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.68 -37.78 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.45 -31.34 71.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.17 -55.72 9.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.823 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -24.75 29.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 9.4 mtm -77.4 -33.18 55.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.648 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.18 -50.24 64.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.57 HG23 HD13 ' A' ' 766' ' ' ILE . 3.1 mt -59.8 -49.21 84.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 26.6 t30 -56.43 -36.15 68.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.2 -35.74 81.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.714 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.734 ' HE3' ' HG ' ' A' ' 783' ' ' LEU . 0.1 OUTLIER -71.83 -36.99 70.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.736 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.596 HG21 HD11 ' A' ' 810' ' ' ILE . 10.6 mt -76.27 -20.92 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 80.9 p -101.44 19.66 17.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -114.64 -35.3 4.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 67.8 p -86.44 -20.88 27.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -124.14 170.21 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -122.5 -19.9 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -63.75 -23.18 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.971 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 57.7 90.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 810' ' ' ILE . . . . . 0.596 HD11 HG21 ' A' ' 802' ' ' ILE . 1.2 pp -74.91 -165.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 2.7 t -56.05 142.44 65.72 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.01 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.66 -18.33 32.85 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.55 2.167 . . . . 0.0 112.308 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 8.5 mm 60.01 106.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.113 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.6 20.27 13.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.358 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -157.58 127.32 6.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.258 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 1.6 pt -146.66 143.09 20.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.708 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.54 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 13.2 mttp -106.69 128.49 54.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.124 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.659 ' HB2' HD21 ' A' ' 849' ' ' LEU . 44.9 p90 -103.8 148.96 25.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -72.45 127.02 31.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.957 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.79 -177.97 5.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.028 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -67.43 -24.38 65.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.93 -6.97 58.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.788 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 87.36 6.02 78.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.79 129.02 44.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.54 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 72.2 m-85 -66.39 115.0 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.619 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.43 153.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.195 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.514 HG22 ' HE3' ' A' ' 817' ' ' LYS . 3.2 t -71.62 149.98 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.3 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.836 HD12 ' HB3' ' A' ' 833' ' ' ASP . 1.2 tp -137.41 94.11 2.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.735 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.18 27.41 2.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.6 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 5.2 m -144.89 150.93 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.784 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -34.8 74.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.419 ' O ' HG23 ' A' ' 836' ' ' VAL . 13.5 tt0 -69.35 -34.96 75.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.964 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.836 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -56.72 -43.71 80.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.715 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 834' ' ' TRP . . . . . 0.435 ' O ' ' HD2' ' A' ' 838' ' ' LYS . 38.6 t-105 -67.02 -41.39 86.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.521 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -55.17 -47.2 75.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 832' ' ' GLU . 38.7 t -66.91 -28.42 42.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.991 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.47 91.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 838' ' ' LYS . . . . . 0.435 ' HD2' ' O ' ' A' ' 834' ' ' TRP . 0.1 OUTLIER -67.9 -49.54 61.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.507 179.559 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 839' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 842' ' ' ALA . 0.9 OUTLIER -59.52 -29.55 67.96 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.68 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.434 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.1 ttm -64.55 -54.41 32.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.428 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.757 HD21 HD13 ' A' ' 849' ' ' LEU . 9.0 mt -68.86 -9.98 54.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.489 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 842' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 839' ' ' GLU . . . -75.4 -56.4 4.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -74.7 -35.78 62.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.1 m-80 -73.76 -6.79 49.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 57.36 25.97 11.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 178.67 3.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 -25.03 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.193 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -123.75 -178.84 4.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.816 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.757 HD13 HD21 ' A' ' 841' ' ' LEU . 13.1 tp -161.27 134.11 6.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.28 123.5 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.536 HD11 HD23 ' A' ' 849' ' ' LEU . 8.9 mm -118.09 138.58 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.246 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.85 136.44 45.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.575 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.556 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -89.25 150.36 22.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.834 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.556 ' H ' HD13 ' A' ' 853' ' ' LEU . 87.2 m-85 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.093 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -76.56 -161.71 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.632 2.221 . . . . 0.0 112.403 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.64 95.37 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.747 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 124.2 52.01 0.19 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.67 155.48 47.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.9 mt -122.29 129.31 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.366 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.442 ' HB3' ' HB2' ' A' ' 848' ' ' PHE . 0.3 OUTLIER -78.02 93.85 4.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.555 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.25 120.63 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.17 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.523 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 7.3 mtp180 -99.75 131.18 45.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.56 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 766' ' ' ILE . . . . . 0.466 HD13 HG23 ' A' ' 798' ' ' ILE . 4.8 mt -123.37 106.11 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.277 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 21.7 t -76.73 83.04 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.801 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 768' ' ' TYR . . . . . 0.512 ' OH ' HG21 ' A' ' 810' ' ' ILE . 77.6 t80 -79.56 126.72 31.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.04 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -129.34 106.93 9.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.814 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.13 -44.5 95.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.057 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -131.24 170.77 14.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.826 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 66.1 p -72.89 98.39 2.45 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -97.68 -30.34 12.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 59.32 93.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.946 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 8.8 t 36.53 44.07 0.29 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.969 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 1.9 t -125.67 -45.11 1.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 7.5 t -146.15 141.36 27.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.36 161.09 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -123.79 79.48 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.426 HG21 ' NH1' ' A' ' 765' ' ' ARG . 50.5 mt -73.8 113.12 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.097 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.523 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 16.7 m-85 -88.21 148.31 24.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 25.9 p -122.41 93.15 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.025 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 783' ' ' LEU . . . . . 0.473 ' HB2' ' HE3' ' A' ' 801' ' ' LYS . 9.4 tp -110.16 128.05 55.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.891 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.2 mp -80.45 78.0 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.547 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.762 HG11 HD12 ' A' ' 794' ' ' LEU . 6.5 t -64.39 118.13 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.169 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.71 166.47 15.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.123 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -88.37 -21.1 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.732 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 15.5 m -87.33 27.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.978 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.403 ' CE3' HG13 ' A' ' 785' ' ' VAL . 10.2 m0 -107.29 -179.68 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.035 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 790' ' ' ASN . . . . . 0.4 ' H ' ' HB2' ' A' ' 793' ' ' ASP . 0.2 OUTLIER -130.26 -174.54 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.751 179.808 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -67.93 -51.4 48.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.794 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.51 -35.15 79.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 793' ' ' ASP . . . . . 0.4 ' HB2' ' H ' ' A' ' 790' ' ' ASN . 0.4 OUTLIER -68.91 -37.91 79.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.669 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.762 HD12 HG11 ' A' ' 785' ' ' VAL . 1.8 tt -63.73 -52.5 60.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.81 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.688 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -65.48 -25.95 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.284 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.0 -39.69 65.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.972 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.55 80.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 795' ' ' ILE . 22.8 mt -64.8 -47.77 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -59.85 -33.96 72.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.732 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.17 -30.29 67.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.473 ' HE3' ' HB2' ' A' ' 783' ' ' LEU . 0.0 OUTLIER -71.76 -31.6 66.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.019 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 17.1 mt -77.44 -29.34 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 7.4 t -90.78 27.14 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.43 0.29 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -50.27 1.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.236 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -93.65 169.07 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.68 20.8 10.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -121.43 140.69 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -83.36 90.55 7.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.819 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 810' ' ' ILE . . . . . 0.512 HG21 ' OH ' ' A' ' 768' ' ' TYR . 1.2 pp -78.66 176.04 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.49 ' O ' HD12 ' A' ' 810' ' ' ILE . 0.3 OUTLIER -62.99 131.25 94.63 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.079 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.22 148.31 74.34 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.522 2.148 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.466 HG12 HD21 ' A' ' 853' ' ' LEU . 3.6 mp -104.25 129.67 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.33 -18.84 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 146.45 50.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.43 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 2.8 pt -145.0 147.29 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.578 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 13.0 mttt -100.09 116.78 32.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.278 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.499 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 28.7 p90 -104.77 139.85 38.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.553 ' O ' HD11 ' A' ' 849' ' ' LEU . 47.9 tt0 -65.56 128.8 37.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -92.74 176.44 6.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.75 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -8.74 55.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.768 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.21 4.52 52.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 72.83 29.19 65.59 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.559 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -133.4 135.0 44.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.319 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.534 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 63.8 m-85 -72.1 119.88 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.715 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.0 151.55 11.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.71 139.83 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.354 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.499 ' HB2' ' CD1' ' A' ' 818' ' ' TYR . 0.4 OUTLIER -130.49 101.32 5.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.769 179.76 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -146.93 52.42 0.56 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.76 161.34 11.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.795 0.331 . . . . 0.0 110.959 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.99 -32.58 73.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.9 tt0 -71.83 -35.51 69.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.457 ' HB3' HD12 ' A' ' 828' ' ' LEU . 83.0 m-20 -59.34 -48.85 80.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.78 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 30.9 t-105 -64.67 -34.31 78.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.697 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.28 -49.53 75.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 832' ' ' GLU . 37.0 t -66.13 -31.38 53.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.149 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.83 -47.21 85.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -63.21 -42.96 99.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.675 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.27 -25.9 67.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.873 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.48 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.8 ttm -65.18 -52.82 52.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.609 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.589 HD21 HD13 ' A' ' 849' ' ' LEU . 7.8 mt -70.44 -16.79 62.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.549 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -77.91 -42.09 34.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.266 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.28 -4.88 58.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.5 OUTLIER -110.92 4.38 19.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.0 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 57.51 20.84 6.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.468 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 0.7 OUTLIER -72.81 -174.06 1.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.63 -27.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.228 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 848' ' ' PHE . . . . . 0.442 ' HB2' ' HB3' ' A' ' 763' ' ' LEU . 12.4 p90 -127.58 -176.57 3.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.863 0.364 . . . . 0.0 111.155 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.589 HD13 HD21 ' A' ' 841' ' ' LEU . 13.1 tp -165.18 151.88 10.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.594 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.463 ' O ' HD13 ' A' ' 851' ' ' ILE . 1.5 m-80 -107.32 134.64 50.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.196 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 850' ' ' ASN . 5.3 mm -126.05 146.43 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.801 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -134.13 139.67 46.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.746 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.466 HD21 HG12 ' A' ' 813' ' ' ILE . 3.0 mt -66.53 173.63 3.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.578 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.6 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.46 -49.75 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.57 2.18 . . . . 0.0 112.166 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.33 -58.24 2.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -158.2 144.15 10.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.525 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 30.7 p -140.77 160.6 39.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 7.1 mt -133.32 136.41 54.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.28 136.25 40.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 764' ' ' PHE . . . . . 0.451 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -125.41 100.55 6.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.335 -179.587 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.459 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 0.4 OUTLIER -74.55 127.4 33.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.161 179.454 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 766' ' ' ILE . . . . . 0.81 HD13 HG23 ' A' ' 798' ' ' ILE . 9.3 mt -123.33 97.5 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.324 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 58.3 p -87.48 109.37 19.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 768' ' ' TYR . . . . . 0.518 ' OH ' HG23 ' A' ' 810' ' ' ILE . 10.1 t80 -104.3 107.06 17.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.51 55.19 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.747 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.67 -88.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.08 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -134.65 42.35 2.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.834 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.11 39.06 30.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -24.31 60.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 1.9 t30 55.75 38.52 30.2 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 15.8 p -127.6 -33.15 2.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.24 176.63 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.024 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.05 154.58 41.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 8.7 t -117.48 140.64 49.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.075 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -102.17 100.56 10.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 5.8 mt -87.75 121.91 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 44.4 m-85 -99.23 173.67 6.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 74.3 p -131.99 105.34 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.986 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 783' ' ' LEU . . . . . 0.569 HD12 HD11 ' A' ' 766' ' ' ILE . 0.6 OUTLIER -101.62 134.48 44.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.16 65.56 8.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.477 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.543 HG11 HD12 ' A' ' 794' ' ' LEU . 13.0 t -64.58 108.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.207 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.34 178.19 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -95.93 -14.91 22.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.41 13.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.484 ' CE3' HG13 ' A' ' 785' ' ' VAL . 11.8 m0 -95.35 -170.29 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.085 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -140.94 -169.14 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.414 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -70.4 -49.47 48.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.77 -45.73 85.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.992 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -30.34 70.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.694 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.543 HD12 HG11 ' A' ' 785' ' ' VAL . 3.4 tt -69.44 -57.36 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.806 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' A' ' 798' ' ' ILE . 3.1 tp -60.49 -24.92 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 32.5 tpp -71.87 -36.68 70.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.42 -43.84 84.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.25 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.81 HG23 HD13 ' A' ' 766' ' ' ILE . 5.9 mt -60.63 -46.99 94.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -58.62 -33.04 69.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.819 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 47.4 t -66.55 -34.91 78.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.639 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 801' ' ' LYS . . . . . 0.527 ' HE3' ' HG ' ' A' ' 783' ' ' LEU . 0.0 OUTLIER -65.46 -39.25 91.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.813 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.53 HG21 HG21 ' A' ' 810' ' ' ILE . 14.7 mt -71.77 -40.96 70.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.367 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 10.0 t -69.59 -7.8 41.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -84.96 -40.16 17.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.842 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 1.4 t -153.56 115.28 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.284 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.45 ' HB2' HG13 ' A' ' 810' ' ' ILE . 33.7 p80 -149.48 178.46 8.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.748 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -84.47 -88.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -164.72 -13.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -128.08 82.46 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 810' ' ' ILE . . . . . 0.53 HG21 HG21 ' A' ' 802' ' ' ILE . 28.4 mm -119.85 131.9 71.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.86 151.22 37.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.819 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.02 166.19 5.86 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.596 2.198 . . . . 0.0 112.163 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.49 HD11 HD12 ' A' ' 802' ' ' ILE . 1.0 OUTLIER -105.95 -89.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.375 -179.686 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.401 ' H ' ' HB ' ' A' ' 813' ' ' ILE . 0.2 OUTLIER 58.32 18.12 5.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.277 -179.777 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.41 118.17 0.64 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 5.9 pt -144.91 151.82 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.479 ' HB2' ' HE1' ' A' ' 854' ' ' TYR . 61.0 mttt -111.91 129.89 56.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.98 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.435 ' HD2' HD21 ' A' ' 849' ' ' LEU . 24.4 p90 -103.59 146.45 28.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.03 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -73.42 138.11 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.997 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 820' ' ' ASP . . . . . 0.45 ' HA ' ' HE1' ' A' ' 840' ' ' MET . 0.5 OUTLIER -93.83 -176.5 4.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.2 -21.33 64.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -97.7 6.96 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.721 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 71.33 43.58 54.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.461 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -126.17 121.17 32.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -66.38 108.67 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.19 152.84 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.213 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.411 HG22 ' HE2' ' A' ' 817' ' ' LYS . 4.1 t -66.99 153.87 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.809 HD12 ' HB3' ' A' ' 833' ' ' ASP . 1.7 tp -146.42 94.91 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.681 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.45 35.39 2.02 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.611 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 60.2 p -154.46 147.66 24.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -60.57 -27.8 67.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 836' ' ' VAL . 3.7 tt0 -71.65 -40.65 69.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.809 ' HB3' HD12 ' A' ' 828' ' ' LEU . 3.3 m-20 -57.59 -40.9 80.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.615 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -67.41 -36.17 80.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.338 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -61.86 -50.1 73.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.486 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 832' ' ' GLU . 15.1 t -63.53 -32.05 55.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.784 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 837' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -61.33 -37.97 85.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.646 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -42.69 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.425 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.54 -26.45 68.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.435 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 44.6 ttp -70.32 -45.66 65.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.481 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.53 HD21 HD13 ' A' ' 849' ' ' LEU . 5.9 mt -76.45 -18.33 58.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.845 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.91 -37.0 41.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.199 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -90.38 -7.35 53.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.7 OUTLIER -116.83 -2.32 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.0 18.32 6.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 841' ' ' LEU . 1.0 OUTLIER -68.87 124.29 23.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.26 14.82 24.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.982 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -152.64 157.48 41.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.749 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.53 HD13 HD21 ' A' ' 841' ' ' LEU . 8.6 tp -150.26 132.08 15.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.046 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -85.16 123.51 30.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.004 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.43 HG13 ' CE2' ' A' ' 764' ' ' PHE . 5.3 mm -120.25 141.71 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.249 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -112.99 142.05 46.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.827 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.512 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -88.32 148.6 24.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.047 -179.877 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.512 ' H ' HD13 ' A' ' 853' ' ' LEU . 94.6 m-85 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.972 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.2 -25.85 18.46 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.618 2.212 . . . . 0.0 112.166 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.31 -61.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 169.61 74.68 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 89.4 p -108.14 172.82 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.682 0.277 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 16.4 mt -134.5 133.03 54.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.193 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.63 83.85 5.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.725 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.13 107.45 5.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.169 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 849' ' ' LEU . 25.4 mtm180 -83.56 127.96 34.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.435 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 766' ' ' ILE . . . . . 0.553 HD12 ' HB2' ' A' ' 781' ' ' PHE . 2.4 mt -115.87 87.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.783 0.325 . . . . 0.0 111.218 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.38 92.62 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 768' ' ' TYR . . . . . 0.485 ' CD2' ' HG ' ' A' ' 853' ' ' LEU . 4.1 t80 -81.83 115.48 21.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -117.31 124.46 49.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -95.87 -25.52 15.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.775 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 771' ' ' ASN . . . . . 0.425 ' HB3' ' HB2' ' A' ' 774' ' ' ASN . 0.5 OUTLIER -89.21 -2.25 58.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.777 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 3.1 m 60.81 99.65 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.997 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 773' ' ' ASN . . . . . 0.575 ' HA ' HH22 ' A' ' 852' ' ' ARG . 3.9 t-20 57.47 77.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 774' ' ' ASN . . . . . 0.425 ' HB2' ' HB3' ' A' ' 771' ' ' ASN . 0.8 OUTLIER -141.25 179.04 7.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.746 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 10.6 t -119.96 153.76 35.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.095 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.48 35.72 25.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 96.5 p -156.43 19.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 19.7 p -111.77 117.25 32.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -99.65 95.91 7.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.803 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.3 mt -85.42 124.69 40.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.203 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.553 ' HB2' HD12 ' A' ' 766' ' ' ILE . 32.4 m-85 -108.96 121.8 45.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.745 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 49.7 p -91.79 119.83 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 9.7 tp -122.94 138.34 54.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.84 83.53 7.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.664 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.43 HG13 ' CE3' ' A' ' 789' ' ' TRP . 3.4 t -70.96 147.73 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.173 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.406 ' HB3' HG22 ' A' ' 788' ' ' VAL . 5.7 mm-40 -106.35 145.48 31.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.798 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -70.51 -6.59 37.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.982 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 788' ' ' VAL . . . . . 0.406 HG22 ' HB3' ' A' ' 786' ' ' GLU . 16.1 m -100.48 30.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.43 ' CE3' HG13 ' A' ' 785' ' ' VAL . 9.3 m0 -110.92 -171.28 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -136.13 -177.6 4.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.556 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 791' ' ' PHE . . . . . 0.415 ' CZ ' ' HA2' ' A' ' 829' ' ' GLY . 74.2 t80 -68.74 -49.42 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.72 -35.34 80.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.741 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -33.71 69.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -50.75 65.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.891 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -65.96 -25.19 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.176 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 1.8 ttp -72.48 -41.08 66.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.814 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.67 91.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.891 HD12 ' HA ' ' A' ' 795' ' ' ILE . 12.0 mt -61.63 -45.87 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.662 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.17 -32.99 72.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.578 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -38.07 89.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.385 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -40.33 96.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.415 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.612 HD11 HD11 ' A' ' 813' ' ' ILE . 41.5 mt -70.16 -34.9 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.174 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 2.1 p -61.95 -22.38 65.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -67.29 -41.06 86.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.456 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 2.1 t -152.88 112.06 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.971 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.748 ' HB2' ' HA ' ' A' ' 809' ' ' ASN . 1.3 p80 -131.13 -23.11 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 807' ' ' ASN . . . . . 0.455 ' HB3' ' H ' ' A' ' 808' ' ' ASN . 1.6 t-20 59.22 -88.83 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.99 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 808' ' ' ASN . . . . . 0.455 ' H ' ' HB3' ' A' ' 807' ' ' ASN . 0.9 OUTLIER -81.09 4.3 20.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.673 179.795 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 809' ' ' ASN . . . . . 0.748 ' HA ' ' HB2' ' A' ' 806' ' ' HIS . 0.5 OUTLIER 59.59 93.93 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.187 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 810' ' ' ILE . . . . . 0.582 HD11 HD13 ' A' ' 802' ' ' ILE . 1.1 pp -81.84 172.01 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.045 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 811' ' ' SER . . . . . 0.462 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 26.8 t -71.87 137.02 82.45 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.024 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 812' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 24.7 Cg_exo -63.05 176.13 2.09 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.591 2.194 . . . . 0.0 112.223 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.679 HD12 HD11 ' A' ' 853' ' ' LEU . 7.8 mm -93.67 142.32 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 16.4 p -133.52 -42.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 134.73 38.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.538 HG22 HD22 ' A' ' 853' ' ' LEU . 8.3 pt -137.76 155.43 30.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.575 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 17.0 mttt -119.41 126.96 52.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.485 ' HB2' HD21 ' A' ' 849' ' ' LEU . 33.9 p90 -100.19 141.6 32.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.096 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -66.2 136.53 56.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.45 -177.86 4.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -25.27 66.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.73 -21.64 34.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 101.38 24.42 8.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.58 128.96 55.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.575 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 40.2 m-85 -66.88 115.44 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.95 148.94 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 827' ' ' VAL . . . . . 0.479 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 22.1 t -64.38 145.27 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.314 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.667 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.7 OUTLIER -137.09 95.91 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.772 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 829' ' ' GLY . . . . . 0.415 ' HA2' ' CZ ' ' A' ' 791' ' ' PHE . . . -137.98 24.36 2.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.682 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.71 156.26 46.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.738 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.85 -36.27 83.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.766 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.5 OUTLIER -66.37 -37.7 85.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.667 ' HB3' HD12 ' A' ' 828' ' ' LEU . 1.6 m-20 -57.0 -42.62 80.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.686 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -66.55 -35.48 80.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.389 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -39.87 94.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.517 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 832' ' ' GLU . 21.5 t -68.85 -30.21 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.88 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.71 97.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -66.96 -37.45 84.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.6 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -74.85 -23.54 58.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.792 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.4 ttm -68.74 -47.87 65.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.664 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.56 HD21 HD13 ' A' ' 849' ' ' LEU . 5.5 mt -80.18 -14.82 58.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.515 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.36 -62.63 1.33 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.045 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -67.14 -35.65 80.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.009 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -75.32 -6.13 48.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 57.17 26.19 11.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.96 -164.77 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.07 -27.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -123.07 155.54 36.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.803 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.56 HD13 HD21 ' A' ' 841' ' ' LEU . 15.1 tp -142.48 146.26 34.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.07 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -102.22 123.19 45.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 851' ' ' ILE . . . . . . . . . . . . . 8.0 mm -118.46 145.03 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.303 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 852' ' ' ARG . . . . . 0.575 HH22 ' HA ' ' A' ' 773' ' ' ASN . 0.7 OUTLIER -114.38 138.97 49.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.799 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.679 HD11 HD12 ' A' ' 813' ' ' ILE . 0.2 OUTLIER -91.68 146.16 24.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.423 ' HE1' ' HB2' ' A' ' 817' ' ' LYS . 83.4 m-85 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.089 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.86 -9.62 19.62 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.586 2.191 . . . . 0.0 112.454 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -43.63 71.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -166.47 105.22 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.415 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 27.0 p -155.96 163.3 39.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.5 mt -139.25 121.95 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 763' ' ' LEU . 0.5 OUTLIER -70.84 105.73 3.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.562 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 764' ' ' PHE . . . . . 0.44 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -100.0 117.08 33.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.314 -179.604 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.48 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 21.1 mtt-85 -93.23 130.73 38.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.447 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 766' ' ' ILE . . . . . 0.678 HD12 ' HB2' ' A' ' 781' ' ' PHE . 3.4 mt -123.9 107.57 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.246 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 1.7 t -86.57 138.18 31.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 768' ' ' TYR . . . . . 0.421 ' O ' ' HB3' ' A' ' 778' ' ' SER . 57.3 t80 -133.05 129.11 37.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.717 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.36 164.81 15.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.0 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -107.81 -35.37 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.853 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.27 -55.65 0.4 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.839 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.22 -155.6 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.774 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -85.63 19.46 2.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.6 -161.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.774 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 6.9 p 53.16 -161.44 0.11 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.455 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.67 79.01 6.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.014 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 1.7 t 56.76 -168.45 0.11 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.163 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 778' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 768' ' ' TYR . 1.5 m -116.02 -173.91 2.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.971 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -104.42 121.69 43.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.9 mt -117.0 124.87 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.987 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 781' ' ' PHE . . . . . 0.678 ' HB2' HD12 ' A' ' 766' ' ' ILE . 11.1 m-85 -98.6 159.26 15.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.786 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 82.6 p -129.26 89.7 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.181 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.5 128.28 49.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 7.6 mp -79.8 88.2 5.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.539 HG11 HD12 ' A' ' 794' ' ' LEU . 15.2 t -70.89 131.44 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.079 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 786' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 2.0 mm-40 -92.27 152.14 19.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -70.91 -27.97 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 31.6 m -70.57 -12.21 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.025 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.51 ' HE3' HG13 ' A' ' 785' ' ' VAL . 13.1 m0 -74.42 166.43 23.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.238 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -119.89 -168.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.54 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -69.7 -46.35 66.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.625 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -67.5 -41.25 84.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -32.89 74.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.539 HD12 HG11 ' A' ' 785' ' ' VAL . 1.3 tt -69.68 -55.05 11.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.868 ' HA ' HD12 ' A' ' 798' ' ' ILE . 4.5 tp -59.55 -28.16 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 2.5 ttm -72.12 -36.63 69.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.764 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.35 80.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' A' ' 795' ' ' ILE . 6.8 mt -69.67 -50.34 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.59 -32.24 66.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.684 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 22.5 t -70.63 -36.9 73.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.504 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -64.29 -34.76 78.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.76 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 802' ' ' ILE . . . . . 0.495 HG21 HD11 ' A' ' 810' ' ' ILE . 19.7 mt -75.39 -35.45 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.9 p -72.8 -3.25 24.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -111.07 -37.55 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 72.4 p -100.04 157.71 16.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.277 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 806' ' ' HIS . . . . . 0.448 ' HB3' ' H ' ' A' ' 807' ' ' ASN . 2.0 t60 55.77 -99.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.288 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 807' ' ' ASN . . . . . 0.448 ' H ' ' HB3' ' A' ' 806' ' ' HIS . 1.3 t-20 -145.74 151.26 37.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.766 0.317 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.45 28.83 4.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.61 52.14 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.007 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 810' ' ' ILE . . . . . 0.495 HD11 HG21 ' A' ' 802' ' ' ILE . 1.3 pt -119.95 176.11 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.6 t -66.34 145.06 98.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.03 172.57 8.38 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.441 2.094 . . . . 0.0 112.26 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.863 HD12 HD11 ' A' ' 853' ' ' LEU . 7.1 mm -112.69 -88.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 814' ' ' THR . . . . . 0.475 ' H ' ' HB ' ' A' ' 813' ' ' ILE . 0.2 OUTLIER 56.92 16.85 2.98 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.932 0.396 . . . . 0.0 111.123 -179.874 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.464 ' H ' HG22 ' A' ' 813' ' ' ILE . 3.0 tttt -166.91 124.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.413 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 1.0 OUTLIER -139.55 151.11 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.388 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.535 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 0.9 OUTLIER -106.15 117.81 34.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.715 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 818' ' ' TYR . . . . . 0.807 ' HB2' HD21 ' A' ' 849' ' ' LEU . 18.9 p90 -101.28 140.5 35.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.49 ' O ' HD11 ' A' ' 849' ' ' LEU . 7.4 tt0 -71.34 120.84 17.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.02 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -76.4 -176.27 3.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.787 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.67 -18.32 62.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.3 7.45 45.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 69.45 30.91 71.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.24 119.84 34.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.754 0.311 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -59.67 117.74 5.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.84 156.91 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 3.0 t -75.22 149.4 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.632 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -142.29 105.65 4.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.799 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -142.92 11.68 2.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.03 156.54 44.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -63.99 -31.46 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.7 OUTLIER -68.01 -35.27 78.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.797 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.632 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -62.5 -49.86 73.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.782 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -61.54 -32.87 72.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.524 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -63.01 -48.76 77.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.737 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 832' ' ' GLU . 21.7 t -66.43 -30.39 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.971 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.59 88.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -67.64 -36.12 80.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.509 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.69 -22.52 62.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.563 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 0.4 OUTLIER -76.01 -41.4 51.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.538 179.719 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.712 HD21 HD13 ' A' ' 849' ' ' LEU . 1.4 mt -83.29 -11.85 57.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.633 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -75.01 -49.33 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.38 10.9 15.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.7 OUTLIER -125.28 1.53 7.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 57.17 24.92 10.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.046 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.48 132.92 34.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.722 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -112.62 -10.68 13.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.077 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -124.9 177.59 5.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 818' ' ' TYR . 16.5 tp -165.94 145.32 6.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -100.0 132.98 45.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.769 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.461 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 14.4 mm -123.15 140.36 47.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.928 0.394 . . . . 0.0 111.399 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.33 145.13 43.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.696 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 853' ' ' LEU . . . . . 0.863 HD11 HD12 ' A' ' 813' ' ' ILE . 11.4 tp -82.59 163.49 21.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.047 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 854' ' ' TYR . . . . . 0.535 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.2 m-85 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.806 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 CA-C-O 120.181 -0.233 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.12 -1.11 10.45 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.562 2.174 . . . . 0.0 112.368 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 759' ' ' LEU . . . . . 0.416 ' H ' HD12 ' A' ' 759' ' ' LEU . 5.8 mp -59.49 -35.41 74.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -159.57 86.41 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 761' ' ' SER . . . . . 0.431 ' OG ' HD23 ' A' ' 784' ' ' LEU . 0.0 OUTLIER -143.04 168.44 19.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.6 mp -124.4 127.98 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 763' ' ' LEU . . . . . 0.446 HD11 HG22 ' A' ' 782' ' ' THR . 0.3 OUTLIER -70.93 95.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.54 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 764' ' ' PHE . . . . . 0.428 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -91.03 115.4 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.033 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 765' ' ' ARG . . . . . 0.412 ' HB3' ' CG2' ' A' ' 780' ' ' ILE . 6.6 mtp180 -88.58 130.36 35.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.764 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 766' ' ' ILE . . . . . . . . . . . . . 6.1 mt -123.6 93.0 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.8 109.68 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -114.0 141.65 47.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -115.01 131.03 57.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -82.53 -29.3 30.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -135.51 -26.72 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.09 170.4 0.1 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.178 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 52.98 41.78 32.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -63.97 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.779 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.54 -73.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.009 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 5.5 p -168.14 -33.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.735 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 31.7 p -65.04 133.33 51.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.02 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.48 -171.18 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -109.92 71.72 0.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.794 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 780' ' ' ILE . . . . . 0.412 ' CG2' ' HB3' ' A' ' 765' ' ' ARG . 16.5 mt -77.81 119.91 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -96.09 172.1 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.644 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 782' ' ' THR . . . . . 0.446 HG22 HD11 ' A' ' 763' ' ' LEU . 64.2 p -136.13 94.75 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.351 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.25 120.17 41.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.756 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 784' ' ' LEU . . . . . 0.431 HD23 ' OG ' ' A' ' 761' ' ' SER . 5.3 mp -73.73 91.31 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 785' ' ' VAL . . . . . 0.456 HG13 ' CE3' ' A' ' 789' ' ' TRP . 5.0 t -76.94 132.73 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.02 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.93 164.7 13.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.991 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -82.43 -18.32 42.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.737 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 31.2 m -86.73 23.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.982 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 789' ' ' TRP . . . . . 0.456 ' CE3' HG13 ' A' ' 785' ' ' VAL . 6.4 m0 -105.93 -175.78 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.177 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -138.29 -174.32 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.55 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -68.66 -44.67 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.04 -37.31 81.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -31.93 68.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.655 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 794' ' ' LEU . . . . . 0.438 HD21 HD11 ' A' ' 816' ' ' ILE . 1.2 tt -69.41 -51.21 38.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.772 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 795' ' ' ILE . . . . . 0.411 ' HA ' HD12 ' A' ' 798' ' ' ILE . 3.9 tp -64.03 -23.56 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -35.48 63.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -67.77 -47.2 69.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.278 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 798' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 795' ' ' ILE . 13.1 mt -58.12 -49.99 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.186 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.44 -28.45 68.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.34 -37.51 74.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -67.33 -33.24 74.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.806 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 35.6 mt -75.97 -32.85 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.255 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.58 -0.35 29.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.985 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -87.5 -31.42 19.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.663 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 59.3 p -92.71 -59.54 2.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 51.09 82.27 0.06 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.187 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -117.05 52.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.783 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 1.2 t30 62.97 164.66 0.11 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.124 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 7.5 m120 54.61 31.13 14.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.037 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 28.0 mm -101.8 130.84 50.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.788 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.49 149.33 70.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.985 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.34 124.49 10.89 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.418 2.079 . . . . 0.0 112.312 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 813' ' ' ILE . . . . . 0.487 HG22 ' H ' ' A' ' 815' ' ' LYS . 10.6 mm -113.37 142.53 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.234 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.5 29.94 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.983 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 815' ' ' LYS . . . . . 0.487 ' H ' HG22 ' A' ' 813' ' ' ILE . 0.0 OUTLIER -151.45 123.85 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.992 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 816' ' ' ILE . . . . . 0.438 HD11 HD21 ' A' ' 794' ' ' LEU . 6.6 pt -137.01 149.63 26.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 817' ' ' LYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 33.0 mttt -112.82 134.13 54.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.096 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -109.98 149.0 30.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 819' ' ' GLN . . . . . 0.475 ' O ' HD11 ' A' ' 849' ' ' LEU . 26.1 tt0 -77.24 135.58 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -105.86 -165.14 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.056 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.44 -18.71 63.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.98 -8.54 58.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 83.91 3.83 89.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.13 160.83 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.727 0.299 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 825' ' ' PHE . . . . . 0.586 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 68.9 m-85 -93.93 107.99 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -91.27 156.53 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.16 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 2.8 t -71.82 148.87 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 828' ' ' LEU . . . . . 0.721 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.5 OUTLIER -141.97 96.31 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.793 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.21 29.93 2.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.561 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.96 155.63 43.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.741 0.305 . . . . 0.0 110.933 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.18 -35.69 81.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 832' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 836' ' ' VAL . 4.2 tm-20 -67.81 -39.2 84.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 833' ' ' ASP . . . . . 0.721 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.7 OUTLIER -54.82 -40.6 69.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.653 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -69.25 -36.75 77.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.385 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -61.17 -43.27 99.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.701 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 836' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 832' ' ' GLU . 5.3 t -70.43 -27.21 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.764 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.91 92.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.723 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -64.47 -42.9 95.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.43 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.34 -20.3 66.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.535 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 840' ' ' MET . . . . . 0.416 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 25.9 ttp -71.18 -53.1 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.38 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 841' ' ' LEU . . . . . 0.838 HD21 HD13 ' A' ' 849' ' ' LEU . 10.0 mt -72.87 -14.19 61.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.473 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.86 -62.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.01 -36.91 85.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 844' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 840' ' ' MET . 4.1 m120 -76.06 -6.64 52.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 24.3 t30 57.56 24.84 10.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.666 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 846' ' ' GLU . . . . . 0.506 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 0.5 OUTLIER -66.29 -174.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.932 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -147.7 -30.48 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -128.4 169.66 14.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.924 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 849' ' ' LEU . . . . . 0.838 HD13 HD21 ' A' ' 841' ' ' LEU . 13.1 tp -152.1 135.3 15.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 850' ' ' ASN . . . . . 0.41 ' O ' HD13 ' A' ' 851' ' ' ILE . 2.5 m120 -86.61 127.26 34.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 851' ' ' ILE . . . . . 0.41 HD13 ' O ' ' A' ' 850' ' ' ASN . 5.7 mm -123.82 145.78 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -118.57 143.1 47.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.815 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.21 148.95 21.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.828 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.372 -0.823 . . . . 0.0 111.119 -179.66 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . 0.422 ' C ' HG13 ' A' ' 762' ' ' ILE . 19.4 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . 0.422 HG13 ' C ' ' A' ' 761' ' ' SER . 3.6 mt -134.88 129.85 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 763' ' ' LEU . 0.4 OUTLIER -74.49 109.94 8.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.669 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.47 128.56 52.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . 0.44 ' HB3' ' CG2' ' A' ' 780' ' ' ILE . 1.0 OUTLIER -110.03 130.01 55.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.543 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 0.7 OUTLIER -125.92 103.48 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.29 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 9.4 t -78.89 72.62 5.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 70.5 t80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.005 -179.835 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.727 0.299 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 12.9 mt -105.69 113.2 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.332 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -90.12 151.29 21.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.724 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 44.7 p -125.15 107.91 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.307 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . 0.47 HD23 HD11 ' A' ' 766' ' ' ILE . 0.3 OUTLIER -122.81 143.76 49.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.55 100.15 10.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.329 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.473 HG13 ' CE3' ' A' ' 789' ' ' TRP . 11.9 t -79.58 118.86 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.56 162.75 28.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.079 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -88.68 -10.21 49.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.723 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 24.0 m -95.3 16.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.473 ' CE3' HG13 ' A' ' 785' ' ' VAL . 11.9 m0 -96.13 -176.11 3.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.072 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . 0.407 ' H ' ' HB2' ' A' ' 793' ' ' ASP . 6.2 m120 -136.66 -176.55 4.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.325 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.29 -42.51 96.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.826 0.346 . . . . 0.0 110.632 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.75 -43.72 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . 0.407 ' HB2' ' H ' ' A' ' 790' ' ' ASN . 1.1 m-20 -65.41 -25.68 67.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.742 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.21 -53.51 9.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.827 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.658 ' HA ' HD12 ' A' ' 798' ' ' ILE . 3.6 tp -63.01 -24.49 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.199 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 16.0 ttm -72.89 -41.61 64.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.751 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.5 90.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 795' ' ' ILE . 14.1 mt -64.81 -40.78 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.172 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.959 -179.858 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.748 0.309 . . . . 0.0 111.334 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.504 ' HE2' ' HZ2' ' A' ' 817' ' ' LYS . 14.4 tttt -143.72 119.58 10.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.911 0.386 . . . . 0.0 111.069 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 851' ' ' ILE . 18.8 pt -138.5 148.29 24.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.742 ' HE3' HG22 ' A' ' 827' ' ' VAL . 31.7 mttp -111.63 129.39 56.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -103.02 158.89 15.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -85.46 130.15 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.095 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -91.2 -160.41 0.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -26.49 55.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.185 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -79.97 -32.22 39.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.079 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 114.15 -1.56 24.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -87.44 153.82 21.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.538 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 51.7 m-85 -85.3 112.87 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.784 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.55 140.4 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.742 HG22 ' HE3' ' A' ' 817' ' ' LYS . 14.5 t -61.81 146.58 11.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.564 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.448 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.5 OUTLIER -142.26 94.36 2.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.584 179.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -135.14 13.7 4.35 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.617 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.29 160.47 29.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -68.25 -45.26 73.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.1 OUTLIER -61.53 -29.76 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.981 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.448 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.4 OUTLIER -64.19 -32.26 73.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.635 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -75.26 -38.22 60.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.633 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -61.53 -44.82 96.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.683 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 832' ' ' GLU . 37.7 t -66.96 -33.51 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.879 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.45 -39.74 80.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.674 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -68.93 -41.11 78.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.455 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.41 -20.01 64.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.579 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -72.29 -53.09 13.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.551 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.872 HD21 HD13 ' A' ' 849' ' ' LEU . 2.4 mt -72.05 -20.19 61.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.701 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.62 -53.2 30.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.215 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.74 -34.75 67.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -79.18 -2.47 41.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 57.14 22.25 7.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -171.72 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.103 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.78 -27.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.007 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -117.45 175.28 5.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.79 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.872 HD13 HD21 ' A' ' 841' ' ' LEU . 12.5 tp -158.63 141.58 14.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -100.81 121.19 41.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.555 HG21 HD12 ' A' ' 816' ' ' ILE . 3.4 mm -118.28 146.06 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 854' ' ' TYR . 5.7 ttt-85 -115.07 141.72 47.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.539 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -94.52 143.85 26.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.621 179.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.539 ' H ' HD13 ' A' ' 853' ' ' LEU . 64.2 m-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.186 -0.912 . . . . 0.0 111.194 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.752 0.311 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.2 mp -135.78 129.26 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.08 135.8 42.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.624 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.42 104.23 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.545 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 10.4 mtp180 -82.51 131.55 35.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.987 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . 0.533 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 2.1 mp -121.18 97.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 0.0 111.463 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 853' ' ' LEU . 13.5 t -77.69 120.8 23.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.853 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 33.5 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.913 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 . . . . . 0 CA--C 1.527 0.087 0 CA-C-O 120.75 0.31 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.533 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 3.1 mt -104.91 132.61 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 4.3 m-85 -102.32 159.55 15.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.996 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 34.6 p -123.19 107.59 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 14.0 tp -109.48 125.54 52.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.31 81.58 5.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.439 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.502 HG11 HD12 ' A' ' 794' ' ' LEU . 3.4 t -71.14 130.23 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -89.16 179.09 6.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.818 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -95.27 -21.18 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . 0.4 ' H ' HG22 ' A' ' 788' ' ' VAL . 4.2 m -85.54 28.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.41 ' CE3' HG13 ' A' ' 785' ' ' VAL . 13.2 m0 -111.76 178.79 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.077 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.72 -170.92 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.447 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -70.4 -49.69 46.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.74 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 796' ' ' MET . 38.9 t70 -66.31 -33.49 75.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -31.71 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.502 HD12 HG11 ' A' ' 785' ' ' VAL . 1.4 tt -74.69 -51.15 15.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.823 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 2.9 tp -61.15 -29.93 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 792' ' ' ASP . 0.3 OUTLIER -74.36 -38.5 63.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.793 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.33 -52.55 57.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 16.1 mt -58.67 -35.46 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 . . . . . 0 C--N 1.331 -0.203 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.394 179.515 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.879 0.371 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.9 93.19 0.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 17.7 pt -120.69 146.71 25.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.57 ' HG2' ' HA ' ' A' ' 827' ' ' VAL . 11.4 mttt -109.97 136.71 48.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.04 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 23.9 p90 -112.94 147.25 37.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.506 ' O ' HD11 ' A' ' 849' ' ' LEU . 18.6 tt0 -73.77 147.32 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.052 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -113.27 -164.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -70.53 -32.17 69.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.17 -5.59 47.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 86.89 -11.4 64.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.32 169.83 17.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.347 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -108.01 115.73 30.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.696 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.66 152.48 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.57 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 2.6 t -71.99 151.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.416 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.707 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.5 OUTLIER -141.4 98.83 3.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.726 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -140.71 33.63 2.03 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.3 149.59 27.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -58.47 -33.14 69.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.8 tp10 -66.55 -36.59 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.707 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.6 OUTLIER -60.53 -49.14 78.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.729 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -62.18 -29.74 70.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.404 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -67.39 -48.82 66.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.598 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 832' ' ' GLU . 21.1 t -66.83 -30.23 48.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.749 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.42 97.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.601 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -65.81 -45.24 83.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.486 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.69 -27.12 69.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.621 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 48.2 ttp -65.0 -55.23 20.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.491 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.611 HD21 HD13 ' A' ' 849' ' ' LEU . 5.7 mt -68.05 -13.8 62.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.619 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.58 -50.2 11.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -83.89 -1.47 54.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.927 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 840' ' ' MET . 1.7 m-80 -112.72 -0.49 15.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.7 m120 57.09 20.63 5.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.528 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 2.3 mm-40 -66.76 179.77 1.02 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.69 -28.04 0.35 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -129.37 168.22 16.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.833 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.611 HD13 HD21 ' A' ' 841' ' ' LEU . 12.3 tp -153.77 125.25 7.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.406 ' O ' HD13 ' A' ' 851' ' ' ILE . 13.9 m-80 -78.09 136.62 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 850' ' ' ASN . 22.9 mm -123.27 145.88 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.23 135.71 50.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.698 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.504 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -90.96 147.46 23.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.504 ' H ' HD13 ' A' ' 853' ' ' LEU . 87.3 m-85 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.063 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . 0.436 ' C ' HG13 ' A' ' 762' ' ' ILE . 4.5 m . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.047 0.451 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 761' ' ' SER . 18.4 mt -142.11 131.71 23.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.018 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 763' ' ' LEU . 0.2 OUTLIER -76.12 94.76 3.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 179.588 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . 0.471 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -90.65 95.59 10.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.316 -179.452 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 33.7 mtt180 -73.49 134.58 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.369 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . . . . . . . . . 1.5 mt -125.55 98.62 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.791 0.329 . . . . 0.0 111.419 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 2.1 t -87.38 82.7 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.895 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.672 0.273 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 12.7 mt -94.35 124.52 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 28.5 m-85 -96.23 177.76 5.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.757 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 48.0 p -138.71 90.98 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.038 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 50.9 tp -99.12 114.55 27.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.029 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.46 85.68 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.737 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.471 HG23 ' HB2' ' A' ' 764' ' ' PHE . 3.7 t -77.17 146.89 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.143 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.11 170.6 9.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -91.74 -22.18 20.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 29.8 m -90.89 25.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -101.35 -178.64 3.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.181 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -130.14 -164.59 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.55 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -77.56 -49.95 13.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.776 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . 0.401 ' O ' HG22 ' A' ' 795' ' ' ILE . 3.2 p30 -62.62 -37.36 85.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -68.45 -27.25 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 2.4 tt -71.23 -49.79 39.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.799 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.58 ' HA ' HD12 ' A' ' 798' ' ' ILE . 1.0 OUTLIER -67.04 -21.35 28.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.35 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 7.8 tpp -73.2 -48.64 33.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.148 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.08 95.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 795' ' ' ILE . 18.9 mt -59.86 -46.97 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.913 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.84 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.761 0.315 . . . . 0.0 111.394 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.66 143.96 46.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.38 . . . . 0.0 111.197 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 2.4 pt -146.58 149.36 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.789 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.682 ' HE3' HG22 ' A' ' 827' ' ' VAL . 15.9 mttp -109.16 125.54 52.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.993 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.428 ' HD1' ' HB2' ' A' ' 828' ' ' LEU . 27.6 p90 -97.76 138.52 35.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.474 ' O ' HD11 ' A' ' 849' ' ' LEU . 15.8 tt0 -72.22 126.51 29.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.59 -177.03 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.8 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -71.89 -5.1 32.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.93 11.61 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 69.83 16.84 72.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.581 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.24 116.01 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.756 0.313 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.449 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 53.0 m-85 -64.56 125.02 23.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.983 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.22 153.97 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.682 HG22 ' HE3' ' A' ' 817' ' ' LYS . 3.4 t -64.78 151.51 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.213 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -145.25 94.84 2.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.71 179.751 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -140.32 41.79 1.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 3.6 t -157.3 160.55 38.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -38.12 76.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.801 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.0 OUTLIER -66.08 -34.06 77.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.711 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.498 ' HB3' HD12 ' A' ' 828' ' ' LEU . 3.9 m-20 -59.83 -45.42 92.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.7 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -62.42 -38.33 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.508 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -60.11 -45.86 91.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.786 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 832' ' ' GLU . 13.9 t -63.31 -31.9 54.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.739 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.69 92.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.656 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -65.45 -41.88 92.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.48 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.79 -28.69 67.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.575 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.456 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.6 ttm -63.29 -46.97 84.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.604 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.8 HD21 HD13 ' A' ' 849' ' ' LEU . 2.2 mt -78.47 -14.37 59.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.722 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -79.26 -32.87 43.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.343 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -102.02 6.39 41.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.7 m-80 -127.78 -1.34 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.11 14.92 3.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 841' ' ' LEU . 1.5 mt-10 -66.74 122.22 17.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.651 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.65 15.05 30.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -155.75 169.63 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.8 HD13 HD21 ' A' ' 841' ' ' LEU . 11.7 tp -156.96 122.63 4.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -83.87 121.63 27.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . . . . . . . . . 10.1 mm -114.41 142.23 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -108.84 139.67 43.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.428 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -88.08 155.53 19.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.966 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.433 ' HE2' ' HB2' ' A' ' 817' ' ' LYS . 95.8 m-85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.801 0.334 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.2 mp -124.7 125.86 70.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.72 102.22 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.779 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . 0.46 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -93.21 108.68 20.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.141 -179.655 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . 0.415 ' HB3' HG21 ' A' ' 780' ' ' ILE . 36.9 mtp85 -83.94 128.99 34.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.223 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 3.2 mt -119.84 95.65 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.832 0.348 . . . . 0.0 111.374 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 853' ' ' LEU . 2.0 p -67.15 134.13 51.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.744 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 88.9 t80 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.785 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.76 0.314 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 10.5 mt -106.77 114.92 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.489 ' HB2' HD12 ' A' ' 766' ' ' ILE . 8.5 m-85 -83.06 156.33 23.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 46.9 p -125.19 113.8 18.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.58 134.51 54.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.032 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.5 81.85 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.52 HG13 ' CE3' ' A' ' 789' ' ' TRP . 14.9 t -66.27 140.76 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.275 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.52 146.16 26.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.994 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -69.83 -18.6 63.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.71 -2.4 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.52 ' CE3' HG13 ' A' ' 785' ' ' VAL . 13.7 m0 -82.84 -171.89 3.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.974 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.12 -168.09 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.79 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -70.94 -52.95 16.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -65.14 -39.43 93.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.177 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -67.22 -34.21 76.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.066 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.52 HD12 HG11 ' A' ' 785' ' ' VAL . 0.4 OUTLIER -69.15 -53.3 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.973 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.716 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.7 OUTLIER -59.73 -26.08 34.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.273 -179.75 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 2.3 mtt -71.95 -40.2 68.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.763 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.44 77.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.05 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 795' ' ' ILE . 22.7 mt -66.03 -49.36 77.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 -179.94 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.943 0.402 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.08 127.96 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.414 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 6.3 pt -125.71 143.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 851' ' ' ILE . 6.2 mttt -104.12 116.69 32.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.4 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 30.9 p90 -100.61 150.4 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -71.59 144.92 49.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 824' ' ' ASP . 0.7 OUTLIER -96.78 -166.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.968 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.44 -46.24 70.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -8.13 58.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.017 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 96.12 30.76 7.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 820' ' ' ASP . 0.3 OUTLIER -105.79 124.14 49.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -67.67 124.62 23.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.763 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 817' ' ' LYS . 0.0 OUTLIER -124.07 153.96 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.436 HG13 ' OH ' ' A' ' 854' ' ' TYR . 6.5 t -71.53 150.34 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.34 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -143.68 98.06 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.714 179.791 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -137.68 29.2 2.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.556 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 41.8 m -141.52 160.18 40.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.926 0.393 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -40.33 89.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 836' ' ' VAL . 14.9 tt0 -66.02 -32.48 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.025 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.409 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.3 OUTLIER -60.74 -51.37 69.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -61.75 -32.81 73.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -63.05 -54.21 41.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.601 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 832' ' ' GLU . 26.8 t -60.8 -27.88 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.775 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.8 95.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.771 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -63.35 -37.86 88.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.397 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -68.2 -33.67 74.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.475 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 3.0 ttm -60.25 -53.12 61.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.798 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.752 HD21 HD13 ' A' ' 849' ' ' LEU . 3.5 mt -74.68 -12.57 60.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -74.39 -56.36 4.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.529 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -77.0 -19.69 56.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.301 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.9 m-80 -92.97 2.0 57.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.076 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.24 16.56 4.04 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.611 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 1.5 mm-40 -74.04 130.13 39.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.24 10.65 21.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.981 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -148.63 170.65 17.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.752 HD13 HD21 ' A' ' 841' ' ' LEU . 14.7 tp -162.67 141.54 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -96.15 129.7 43.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 5.7 mm -121.32 148.24 24.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -115.01 139.77 49.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 767' ' ' SER . 0.2 OUTLIER -89.85 19.98 4.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.037 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.436 ' OH ' HG13 ' A' ' 827' ' ' VAL . 3.1 m-85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.996 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.922 0.392 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.3 mt -135.62 132.23 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 130.09 38.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.769 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . 0.454 ' CE2' HD11 ' A' ' 794' ' ' LEU . 0.1 OUTLIER -118.39 105.96 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.023 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -81.08 133.4 35.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 781' ' ' PHE . 3.4 mt -126.44 104.5 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.258 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 9.5 t -76.12 96.04 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 90.9 t80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.747 -179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.863 0.364 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.8 mt -83.11 110.95 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.247 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.487 ' HB2' HD12 ' A' ' 766' ' ' ILE . 26.5 m-85 -84.68 148.76 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 76.7 p -117.91 119.76 35.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.981 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 2.5 mt -122.05 124.16 43.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.75 73.93 7.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.346 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.436 HG11 HD12 ' A' ' 794' ' ' LEU . 2.1 t -64.25 108.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.379 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.0 177.56 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -91.9 -23.29 19.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 20.7 m -80.77 11.69 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.427 ' CE3' HG13 ' A' ' 785' ' ' VAL . 8.7 m0 -91.99 -173.72 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -142.28 -167.83 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.419 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -73.14 -53.28 11.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.766 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -61.26 -33.7 73.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.051 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -28.71 63.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.532 HD21 HD11 ' A' ' 816' ' ' ILE . 0.8 OUTLIER -71.12 -51.95 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 4.0 tp -63.84 -25.21 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.264 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 3.0 ttm -73.25 -37.64 66.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.27 -49.16 72.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.297 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 7.9 mt -59.29 -45.72 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.366 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.822 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.951 0.405 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 11.0 tttt -156.44 116.98 3.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.532 HD11 HD21 ' A' ' 794' ' ' LEU . 21.5 pt -131.92 159.21 43.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.529 ' NZ ' HG22 ' A' ' 827' ' ' VAL . 5.1 mttm -117.92 126.2 51.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -100.28 148.61 24.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.466 ' O ' HD11 ' A' ' 849' ' ' LEU . 17.1 tt0 -78.09 142.72 37.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -102.4 -170.81 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -68.87 -21.08 64.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.42 -30.21 37.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 109.73 6.69 28.4 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.549 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -103.56 152.58 21.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -85.09 120.84 27.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.75 152.33 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.831 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.529 HG22 ' NZ ' ' A' ' 817' ' ' LYS . 3.9 t -70.47 149.79 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.365 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.567 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.7 OUTLIER -137.61 87.12 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.691 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -131.13 34.71 2.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.632 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.91 153.79 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.729 0.299 . . . . 0.0 110.761 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.68 -34.43 77.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 836' ' ' VAL . 2.1 tt0 -66.88 -32.85 74.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.567 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -60.28 -51.25 70.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.71 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.458 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 36.4 t-105 -62.18 -30.83 71.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.441 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -65.23 -53.97 36.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.634 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 832' ' ' GLU . 23.0 t -60.78 -30.4 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.81 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.73 99.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.837 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 6.8 mtmt -64.24 -39.08 93.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.506 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.15 -23.84 61.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.578 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.1 ttm -67.44 -44.57 78.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.637 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.502 HD21 HD13 ' A' ' 849' ' ' LEU . 1.6 mt -81.52 -16.06 52.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.729 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.85 -40.69 65.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.47 19.34 13.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.6 OUTLIER -136.7 -0.42 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.85 25.45 10.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.78 130.69 35.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.06 5.68 22.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.087 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -151.61 170.51 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.502 HD13 HD21 ' A' ' 841' ' ' LEU . 12.0 tp -156.98 135.56 11.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -85.12 117.85 24.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.488 HG21 HD12 ' A' ' 816' ' ' ILE . 3.6 mm -118.15 144.14 27.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.246 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -116.99 136.78 52.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.502 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.466 ' HG ' ' H ' ' A' ' 854' ' ' TYR . 17.6 tp -86.46 165.83 15.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.766 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.466 ' H ' ' HG ' ' A' ' 853' ' ' LEU . 94.3 m-85 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.19 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . 0.404 ' HB2' ' HG ' ' A' ' 784' ' ' LEU . 33.2 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.772 0.32 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 15.3 mt -128.82 136.76 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 7.9 tp -94.58 80.68 3.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.592 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.02 116.21 9.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.218 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 11.5 mtp85 -94.13 128.49 40.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.402 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . 0.561 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 3.3 mt -117.13 99.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.843 0.354 . . . . 0.0 111.431 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 6.2 t -85.31 113.12 21.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.725 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 33.0 t80 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.561 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 3.7 mt -104.91 114.43 44.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.027 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.499 ' HB2' HD12 ' A' ' 766' ' ' ILE . 8.1 m-85 -83.46 172.57 12.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 67.2 p -135.13 101.46 4.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.888 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . 0.421 HD21 ' HB1' ' A' ' 797' ' ' ALA . 0.2 OUTLIER -97.99 131.32 44.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.126 -179.686 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . 0.404 ' HG ' ' HB2' ' A' ' 761' ' ' SER . 4.2 tp -84.03 68.65 10.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.538 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.606 HG11 HD12 ' A' ' 794' ' ' LEU . 2.3 t -66.46 123.34 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.75 171.29 10.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . 0.651 ' HG2' ' HD2' ' A' ' 838' ' ' LYS . 60.3 mttt -87.04 -15.5 38.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 17.3 m -90.4 24.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.418 ' CE3' HG13 ' A' ' 785' ' ' VAL . 9.7 m0 -106.69 -173.7 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -134.7 178.3 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.748 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -64.9 -48.03 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 795' ' ' ILE . 3.9 p-10 -66.41 -45.36 80.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -25.65 68.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.606 HD12 HG11 ' A' ' 785' ' ' VAL . 1.6 tt -71.34 -53.45 14.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.839 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.6 OUTLIER -62.18 -28.45 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.36 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 1.4 mtm -68.92 -41.37 78.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . 0.421 ' HB1' HD21 ' A' ' 783' ' ' LEU . . . -64.1 -39.26 93.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 795' ' ' ILE . 11.8 mt -61.53 -39.57 83.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.687 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -136.54 141.34 43.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.77 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 1.4 pt -139.61 142.13 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.241 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 851' ' ' ILE . 52.1 mttt -99.88 123.34 44.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.522 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.43 ' HB2' ' CD2' ' A' ' 849' ' ' LEU . 35.5 p90 -107.37 147.15 30.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.944 0.402 . . . . 0.0 111.123 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -71.39 126.86 30.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -89.43 177.46 6.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -30.27 70.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.48 -12.54 60.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 89.32 24.59 30.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.425 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.18 139.02 54.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 111.013 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -68.73 127.25 32.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.588 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.95 149.66 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 12.2 t -73.84 144.06 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.303 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.5 OUTLIER -137.27 101.47 4.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.722 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -137.89 34.65 2.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.538 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.8 161.17 42.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -43.66 85.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.709 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.0 OUTLIER -62.69 -35.2 78.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.74 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.561 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -59.53 -35.37 74.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.449 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -72.93 -35.75 67.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.437 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -63.39 -41.61 98.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.545 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 832' ' ' GLU . 43.5 t -65.82 -36.3 77.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.727 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.26 87.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.802 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.651 ' HD2' ' HG2' ' A' ' 787' ' ' LYS . 26.3 mtmt -67.56 -42.43 82.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.457 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.72 -18.56 63.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.471 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.8 ttm -74.55 -45.12 47.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.582 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.761 HD21 HD13 ' A' ' 849' ' ' LEU . 6.5 mt -81.36 -15.33 55.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.561 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.04 -55.61 11.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -73.32 -36.73 66.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -73.98 -4.5 35.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 56.05 26.26 9.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.722 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.53 178.84 2.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.039 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -155.11 12.39 0.36 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -160.72 179.05 8.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.761 HD13 HD21 ' A' ' 841' ' ' LEU . 9.9 tp -166.05 155.29 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.417 ' O ' HD13 ' A' ' 851' ' ' ILE . 3.7 t-20 -107.49 135.04 49.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.717 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.519 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 22.2 mm -122.91 138.61 52.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.386 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 852' ' ' ARG . 0.9 OUTLIER -112.94 138.75 49.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.509 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.6 158.49 28.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.038 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.494 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.5 m-85 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.888 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.824 0.345 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.6 132.49 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 848' ' ' PHE . 0.7 OUTLIER -79.16 112.41 16.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.886 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 782' ' ' THR . 0.1 OUTLIER -96.67 127.67 42.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.979 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -102.13 125.53 48.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.593 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . 0.641 HD11 HD23 ' A' ' 783' ' ' LEU . 1.0 OUTLIER -122.02 98.32 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.801 0.334 . . . . 0.0 111.317 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.87 91.78 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 78.0 t80 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.883 0.373 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 13.4 mt -82.02 127.23 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.339 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.414 ' O ' HD12 ' A' ' 766' ' ' ILE . 9.1 m-85 -103.98 142.88 33.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.618 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' ' 764' ' ' PHE . 62.1 p -119.77 110.18 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . 0.641 HD23 HD11 ' A' ' 766' ' ' ILE . 0.8 OUTLIER -119.95 154.76 33.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.013 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 1.9 mp -85.56 102.06 13.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.023 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.432 ' CG2' ' HB2' ' A' ' 764' ' ' PHE . 6.4 t -88.6 117.66 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -68.97 165.63 19.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -92.82 -21.31 19.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.793 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 28.0 m -83.3 2.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.407 ' CE3' HG13 ' A' ' 785' ' ' VAL . 21.2 m0 -78.25 -165.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.121 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -146.03 -164.59 2.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.435 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . 0.401 ' CZ ' ' HA2' ' A' ' 829' ' ' GLY . 42.0 t80 -76.06 -48.08 22.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 110.646 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . 0.402 ' O ' HG22 ' A' ' 795' ' ' ILE . 9.4 t70 -66.13 -41.21 90.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -28.02 67.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.695 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 2.4 tt -70.62 -53.66 15.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.684 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.605 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -61.97 -25.46 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.01 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -37.55 63.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.37 97.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 795' ' ' ILE . 5.3 mt -68.51 -34.27 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.755 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.239 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.745 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.929 0.395 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -163.13 123.54 2.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.728 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 4.4 pt -138.63 137.13 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.454 ' HB2' ' HE1' ' A' ' 854' ' ' TYR . 0.6 OUTLIER -101.59 119.83 39.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.005 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 22.2 p90 -103.68 146.94 27.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.021 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -77.59 139.79 39.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -102.29 -168.66 1.56 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.02 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -19.71 63.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . 0.459 ' HB3' ' OD2' ' A' ' 824' ' ' ASP . 0.1 OUTLIER -88.57 -3.86 58.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.008 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 83.09 -7.34 67.36 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.569 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . 0.459 ' OD2' ' HB3' ' A' ' 822' ' ' ASP . 0.2 OUTLIER -86.75 136.9 32.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -73.53 125.17 27.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.86 157.53 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.007 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 2.7 t -76.79 155.28 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.614 HD12 ' HB3' ' A' ' 833' ' ' ASP . 7.5 tp -141.6 107.72 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . 0.401 ' HA2' ' CZ ' ' A' ' 791' ' ' PHE . . . -157.13 43.18 0.52 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.635 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 1.1 m -160.28 154.03 22.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.764 0.316 . . . . 0.0 110.971 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -35.43 80.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.0 OUTLIER -70.49 -38.29 74.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.795 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.614 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -57.24 -39.82 76.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.837 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -69.69 -37.38 76.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -60.53 -42.92 97.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.676 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 832' ' ' GLU . 21.8 t -68.81 -30.37 46.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.796 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -62.41 -42.73 99.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.783 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -64.53 -43.6 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.547 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.46 ' OE1' ' HA ' ' A' ' 836' ' ' VAL . 33.7 mt-10 -64.06 -27.91 69.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.595 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.3 ttm -66.78 -42.74 85.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.683 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.614 HD21 HD13 ' A' ' 849' ' ' LEU . 2.9 mt -83.43 -16.62 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.725 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.96 -36.39 41.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.227 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -93.31 -1.76 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -123.84 0.05 8.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 6.8 m120 56.87 22.45 7.09 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.534 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 3.2 mt-10 -68.39 127.01 31.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.016 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -110.89 15.18 21.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 763' ' ' LEU . 21.5 p90 -154.79 156.82 36.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.614 HD13 HD21 ' A' ' 841' ' ' LEU . 9.0 tp -148.43 124.8 10.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -83.24 117.03 22.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . . . . . . . . . 2.6 mm -117.02 141.85 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.234 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.65 134.47 54.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.395 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 854' ' ' TYR . 16.6 tp -84.83 163.84 18.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 111.069 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.454 ' HE1' ' HB2' ' A' ' 817' ' ' LYS . 89.7 m-85 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.151 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . 0.547 ' HB2' HD23 ' A' ' 784' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.756 0.312 . . . . 0.0 110.878 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 7.2 mt -113.95 123.63 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . 0.711 HD21 HG22 ' A' ' 782' ' ' THR . 2.4 tt -71.03 122.32 19.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.767 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.0 109.36 18.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 64.2 mtt180 -86.25 129.86 34.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.638 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . 0.435 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 2.0 mp -125.02 106.07 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.307 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 10.0 p -71.45 98.52 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . 0.617 ' HB3' ' HB2' ' A' ' 779' ' ' GLU . 88.7 t80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . 0.617 ' HB2' ' HB3' ' A' ' 768' ' ' TYR . 3.7 mm-40 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.779 0.324 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 30.2 mt -75.92 115.75 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.021 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 30.7 m-85 -88.58 153.05 21.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.043 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . 0.711 HG22 HD21 ' A' ' 763' ' ' LEU . 33.5 p -124.29 83.46 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 6.5 tp -97.78 116.0 29.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.897 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . 0.547 HD23 ' HB2' ' A' ' 761' ' ' SER . 4.7 mp -74.36 84.01 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.76 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.883 HG11 HD12 ' A' ' 794' ' ' LEU . 2.8 t -72.11 115.48 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.004 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.66 166.15 17.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -83.35 -26.63 30.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 18.2 m -74.97 3.7 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -87.88 -170.89 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.107 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -138.83 -168.1 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.511 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -74.08 -56.25 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.818 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -59.44 -38.68 81.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.52 -30.66 71.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.783 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.883 HD12 HG11 ' A' ' 785' ' ' VAL . 1.7 tt -68.8 -57.55 5.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.793 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.46 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.4 OUTLIER -59.88 -20.55 19.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.415 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 4.6 ttm -72.48 -48.69 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.101 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.85 84.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.41 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 795' ' ' ILE . 11.1 mt -57.96 -48.52 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.289 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.927 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.096 0 CA-C-O 120.632 0.254 . . . . 0.0 111.492 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -174.32 130.7 0.37 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.97 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.406 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 6.8 pt -146.49 144.06 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.975 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.588 ' HE2' HG22 ' A' ' 827' ' ' VAL . 10.0 mttt -108.19 122.51 47.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.425 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 30.9 p90 -100.21 143.3 30.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.058 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -68.52 123.28 20.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -85.58 -169.93 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.967 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.76 -33.09 66.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -78.31 2.72 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.2 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 79.41 1.3 85.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.44 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -95.42 128.68 42.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.8 0.333 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.53 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 82.8 m-85 -67.6 126.27 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.619 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.36 149.64 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.588 HG22 ' HE2' ' A' ' 817' ' ' LYS . 8.9 t -70.91 146.98 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.412 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.7 OUTLIER -134.28 95.25 3.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.685 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.76 31.23 2.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.546 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.97 156.92 42.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -43.6 98.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.41 -34.97 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.565 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -60.8 -37.99 83.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.427 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -71.37 -32.55 68.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.368 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -63.59 -44.16 94.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.779 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 46.2 t -69.61 -30.66 45.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -62.71 -44.9 95.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.8 -48.07 72.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.646 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -26.41 68.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.544 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.7 ttm -63.07 -59.93 4.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.752 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.658 HD21 HD13 ' A' ' 849' ' ' LEU . 4.5 mt -67.0 -12.79 60.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.59 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.41 -46.31 55.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -82.58 -13.95 55.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -103.61 -4.32 24.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.991 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 11.1 m120 54.8 32.02 16.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.616 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.54 176.05 5.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.076 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.06 2.54 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.173 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -153.29 169.24 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.658 HD13 HD21 ' A' ' 841' ' ' LEU . 10.9 tp -154.92 136.02 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -90.43 113.95 25.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.406 ' CG2' ' HB ' ' A' ' 816' ' ' ILE . 3.1 mm -114.26 134.43 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.174 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -106.13 137.91 43.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.526 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 854' ' ' TYR . 20.5 tp -86.34 164.47 17.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.815 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.476 ' N ' ' HG ' ' A' ' 853' ' ' LEU . 88.7 m-85 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.005 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.811 0.339 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.92 143.33 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.19 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.98 104.51 16.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.744 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . 0.476 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -95.33 117.41 30.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -93.74 126.13 38.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.544 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . 0.63 HD13 HG23 ' A' ' 798' ' ' ILE . 6.0 mt -120.02 97.66 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.331 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.15 104.14 7.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.687 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.878 0.371 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 12.8 mt -79.62 108.26 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -82.85 134.61 35.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 78.3 p -109.15 85.96 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.059 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 6.5 tp -98.05 122.92 41.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.09 83.13 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.753 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.771 HG11 HD12 ' A' ' 794' ' ' LEU . 12.8 t -68.61 117.27 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -67.99 152.29 45.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.759 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.93 -13.92 59.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 26.6 m -94.11 18.58 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.513 ' CE3' HG13 ' A' ' 785' ' ' VAL . 15.2 m0 -98.83 177.71 5.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.89 -179.4 4.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.686 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -61.38 -57.23 13.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -41.69 93.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.039 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.72 -23.02 66.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.771 HD12 HG11 ' A' ' 785' ' ' VAL . 0.8 OUTLIER -76.13 -51.08 12.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.956 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.619 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -66.37 -27.68 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.217 -179.747 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 3.9 mtm -72.1 -39.62 68.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.07 97.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.63 HG23 HD13 ' A' ' 766' ' ' ILE . 27.2 mt -59.96 -53.02 54.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.214 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.769 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.798 0.332 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.25 147.24 17.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.99 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.435 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 5.6 pt -141.62 141.27 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.422 ' HG2' ' HA ' ' A' ' 827' ' ' VAL . 7.2 mttt -100.62 123.86 45.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.148 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.478 ' HD1' ' HB2' ' A' ' 828' ' ' LEU . 34.8 p90 -102.54 148.01 26.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.572 ' O ' HD11 ' A' ' 849' ' ' LEU . 4.0 tt0 -73.8 128.01 34.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.759 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.37 -168.63 1.18 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.747 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -0.28 49.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -117.96 9.2 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 78.24 10.77 85.96 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.461 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.52 117.61 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 110.966 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -61.73 132.93 54.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.03 152.38 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.422 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 7.0 t -70.63 145.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.271 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.478 ' HB2' ' HD1' ' A' ' 818' ' ' TYR . 4.0 tp -132.49 96.09 3.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.749 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -141.12 19.05 2.69 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.557 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . 0.411 ' HB2' ' OD1' ' A' ' 833' ' ' ASP . 14.7 m -134.63 153.44 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.336 . . . . 0.0 110.803 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.58 -42.63 91.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -30.91 71.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.452 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -63.43 -45.02 92.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.819 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.423 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 34.2 t-105 -65.0 -35.74 82.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.708 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.508 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 2.2 m-80 -61.81 -52.86 62.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.41 -34.78 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.0 83.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.508 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 3.4 mtmt -65.03 -45.49 85.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.706 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.16 -23.55 66.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.724 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 3.0 ttm -69.08 -55.07 11.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.712 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.696 HD21 HD13 ' A' ' 849' ' ' LEU . 2.8 mt -75.44 -9.34 58.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.051 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.36 -49.62 13.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.281 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.65 1.49 49.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.13 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.5 OUTLIER -117.89 -7.61 10.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.086 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 7.3 m120 54.96 29.29 11.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.739 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -52.24 65.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.122 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.34 17.05 7.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.367 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -165.46 161.12 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.683 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.696 HD13 HD21 ' A' ' 841' ' ' LEU . 9.7 tp -161.24 140.44 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.39 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.12 120.43 31.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.708 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.443 HG13 ' CD2' ' A' ' 764' ' ' PHE . 4.2 mm -116.97 142.69 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.34 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -108.79 135.22 50.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.757 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -89.26 140.65 29.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.513 ' N ' HD13 ' A' ' 853' ' ' LEU . 91.4 m-85 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.074 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . 0.516 HG21 HD13 ' A' ' 841' ' ' LEU . 2.0 mp -122.11 131.92 72.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . 0.489 HD11 ' HB ' ' A' ' 782' ' ' THR . 0.6 OUTLIER -76.77 106.85 8.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.808 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.93 126.6 37.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . 0.543 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 3.7 mtt85 -102.37 133.35 47.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.627 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . 0.668 HD12 ' HB2' ' A' ' 781' ' ' PHE . 4.2 mt -124.17 97.31 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 111.239 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 32.6 p -78.22 79.9 4.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 82.2 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.709 179.841 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.743 0.306 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.486 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.2 mt -103.97 122.04 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.01 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.668 ' HB2' HD12 ' A' ' 766' ' ' ILE . 19.6 m-85 -85.57 159.33 19.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . 0.489 ' HB ' HD11 ' A' ' 763' ' ' LEU . 66.6 p -138.66 94.5 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.81 151.45 37.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.0 mp -86.76 123.94 32.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.652 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 3.1 t -108.13 118.52 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -71.6 163.73 27.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -85.83 -23.74 27.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 16.4 m -79.21 7.64 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -82.85 -166.19 1.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.158 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -148.6 -171.74 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.536 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -70.5 -47.34 60.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.816 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . 0.41 ' O ' HG22 ' A' ' 795' ' ' ILE . 3.7 t0 -67.65 -41.06 84.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -65.71 -30.76 71.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.939 0.4 . . . . 0.0 110.615 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -55.64 10.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.836 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.793 ' HA ' HD12 ' A' ' 798' ' ' ILE . 1.5 tp -60.21 -23.21 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -51.75 49.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.656 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -59.03 -36.17 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.688 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.793 HD12 ' HA ' ' A' ' 795' ' ' ILE . 25.1 mt -66.44 -38.84 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.915 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.793 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.741 0.305 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.35 108.8 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.469 HD12 HG21 ' A' ' 851' ' ' ILE . 5.9 pt -128.53 153.05 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.019 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.481 ' NZ ' HG22 ' A' ' 827' ' ' VAL . 13.2 mttp -111.6 119.8 39.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.21 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.514 ' HB2' HD21 ' A' ' 849' ' ' LEU . 31.8 p90 -97.02 144.7 26.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.411 ' O ' HD11 ' A' ' 849' ' ' LEU . 9.8 tt0 -76.75 109.19 10.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.04 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.12 171.57 8.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.765 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.486 ' HB3' ' HG2' ' A' ' 840' ' ' MET . 2.0 pt-20 -67.43 -12.65 60.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.978 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -85.15 0.92 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 73.96 28.69 64.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.348 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.34 134.45 41.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -69.18 126.34 29.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.85 152.82 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.481 HG22 ' NZ ' ' A' ' 817' ' ' LYS . 2.7 t -72.28 142.97 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.493 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.4 OUTLIER -137.72 95.04 2.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -135.57 17.06 4.01 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.479 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 14.2 m -130.1 166.94 19.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.763 0.316 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -70.23 -47.08 62.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.39 -28.18 69.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.747 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.493 ' HB3' HD12 ' A' ' 828' ' ' LEU . 1.0 OUTLIER -63.66 -38.88 92.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.614 179.81 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -72.4 -34.29 67.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.608 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -62.83 -48.44 79.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.652 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.11 -33.36 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.857 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.63 -42.59 88.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.783 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -63.97 -42.69 97.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.558 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.06 -29.66 70.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.492 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.486 ' HG2' ' HB3' ' A' ' 821' ' ' GLU . 2.6 tmm? -64.09 -43.78 94.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.422 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.65 HD21 HD13 ' A' ' 849' ' ' LEU . 6.4 mt -74.47 -20.9 59.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.505 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -71.02 160.29 33.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.829 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 62.07 9.43 3.1 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.014 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -140.29 -3.13 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 56.47 26.97 11.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 23.9 mt-10 -67.81 98.95 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.633 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.27 29.01 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.038 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -159.79 160.61 34.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.65 HD13 HD21 ' A' ' 841' ' ' LEU . 13.9 tp -157.88 146.6 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -104.15 118.41 36.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.469 HG21 HD12 ' A' ' 816' ' ' ILE . 3.2 mm -118.2 138.46 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.085 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . 0.414 ' HB3' ' CE1' ' A' ' 854' ' ' TYR . 0.1 OUTLIER -104.57 139.55 39.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.651 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.566 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -90.37 144.4 25.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.566 ' H ' HD13 ' A' ' 853' ' ' LEU . 87.0 m-85 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.158 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 31.2 m . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.708 0.289 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 10.6 mt -132.01 126.72 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.43 119.76 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.591 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . 0.444 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -107.44 110.46 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 765' ' ' ARG . 23.3 mtt-85 -90.87 125.23 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.554 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . 0.587 HD13 HG23 ' A' ' 798' ' ' ILE . 3.0 mt -120.96 95.06 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.268 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.89 96.06 2.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.704 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 29.8 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.85 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.76 0.314 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.455 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 30.4 mt -79.96 104.43 8.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -82.92 140.11 33.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.996 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 75.8 p -111.99 103.92 12.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.971 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -111.9 125.67 54.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.73 78.8 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.634 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.754 HG11 HD12 ' A' ' 794' ' ' LEU . 3.6 t -67.81 115.05 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.229 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.75 169.08 18.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -87.43 -12.49 45.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 16.9 m -87.65 -3.06 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.522 ' HE3' HG13 ' A' ' 785' ' ' VAL . 14.8 m0 -81.37 -177.96 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.055 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -131.16 -165.71 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.733 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -75.05 -56.89 4.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.014 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.7 -37.86 85.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.991 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -31.24 72.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.754 HD12 HG11 ' A' ' 785' ' ' VAL . 1.1 tt -71.01 -56.12 6.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.533 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.8 OUTLIER -58.94 -29.39 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.363 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 14.5 ttm -76.97 -30.98 56.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.15 79.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.037 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.587 HG23 HD13 ' A' ' 766' ' ' ILE . 6.5 mt -72.21 -53.06 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.2 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 -179.961 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.753 0.311 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -157.75 137.74 12.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 22.1 pt -141.59 148.53 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 11.8 mttt -114.04 131.29 56.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.009 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.426 ' HB2' ' CD2' ' A' ' 849' ' ' LEU . 35.5 p90 -107.36 152.19 24.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.093 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.42 ' O ' HD11 ' A' ' 849' ' ' LEU . 4.4 tt0 -72.7 122.82 22.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -82.85 -165.84 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.87 -37.61 73.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.32 -2.49 35.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 87.04 -4.19 86.49 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.44 136.57 33.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.748 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.447 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 59.5 m-85 -71.02 124.05 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.806 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.38 157.78 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.433 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 2.8 t -69.47 149.38 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.231 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.865 HD12 ' HB3' ' A' ' 833' ' ' ASP . 3.8 tp -139.13 88.38 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.721 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -137.24 47.24 0.96 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.558 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 24.5 p -165.95 157.74 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -64.03 -41.5 97.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.8 tp10 -63.84 -34.88 78.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.865 ' HB3' HD12 ' A' ' 828' ' ' LEU . 1.1 m-20 -59.69 -38.74 82.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.739 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.464 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 30.1 t-105 -70.42 -34.85 72.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.503 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . 0.518 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 35.6 m-20 -62.55 -47.95 81.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.795 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 832' ' ' GLU . 19.6 t -65.07 -28.94 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.955 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 840' ' ' MET . . . -62.8 -50.83 69.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.986 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.518 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 2.0 mtmp? -63.4 -47.18 83.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.717 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -26.48 67.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.627 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.404 ' HB3' ' O ' ' A' ' 837' ' ' ALA . 42.5 ttp -66.08 -49.07 68.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.6 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.733 HD21 HD13 ' A' ' 849' ' ' LEU . 3.9 mt -71.25 -14.47 62.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.554 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.69 -50.1 14.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.358 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -78.09 -10.14 59.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.31 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -107.69 2.18 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.064 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 56.61 22.67 6.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.484 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 10.1 mm-40 -67.71 -174.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.032 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.64 -29.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -130.67 -172.54 2.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.733 HD13 HD21 ' A' ' 841' ' ' LEU . 11.9 tp -164.1 148.78 10.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.794 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.426 ' O ' HD13 ' A' ' 851' ' ' ILE . 54.4 m-80 -98.21 128.11 44.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.953 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 850' ' ' ASN . 4.1 mm -125.63 137.26 58.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.195 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.47 141.53 47.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.56 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.5 ' HG ' ' N ' ' A' ' 854' ' ' TYR . 19.9 tp -88.57 163.75 15.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.5 ' N ' ' HG ' ' A' ' 853' ' ' LEU . 89.9 m-85 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.096 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.528 0.123 0 CA-C-O 120.918 0.39 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 12.7 mt -134.17 137.97 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.212 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.48 131.11 34.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.513 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.95 96.94 5.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.315 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 26.3 mtt180 -78.9 132.47 36.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.357 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . 0.53 HD13 HG23 ' A' ' 798' ' ' ILE . 4.4 mt -119.64 106.55 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 111.434 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 779' ' ' GLU . 7.7 t -87.23 83.22 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.846 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . 0.405 ' HD1' HD22 ' A' ' 853' ' ' LEU . 65.8 t80 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.8 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 767' ' ' SER . 13.1 mt-10 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.731 0.301 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 19.8 mt -130.22 111.95 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.523 ' HB2' HD12 ' A' ' 766' ' ' ILE . 7.1 m-85 -88.38 167.98 13.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.793 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 71.4 p -134.01 104.88 6.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.058 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 13.6 tp -109.65 129.09 55.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.79 83.37 8.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.624 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 794' ' ' LEU . 2.6 t -74.86 127.3 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.203 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.12 167.28 19.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -86.79 -21.74 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 27.2 m -86.17 22.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.964 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -98.52 -170.84 2.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.204 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -132.72 -162.62 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.554 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -85.79 -48.4 8.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.77 -35.33 79.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -69.87 -26.67 64.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.469 HD12 HG11 ' A' ' 785' ' ' VAL . 0.5 OUTLIER -72.76 -48.47 38.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.948 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.506 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.6 OUTLIER -67.22 -24.13 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.207 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -47.99 56.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.05 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.12 96.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.248 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.53 HG23 HD13 ' A' ' 766' ' ' ILE . 35.3 mt -58.0 -45.12 88.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.688 179.889 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.649 0.262 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.81 140.91 33.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 111.278 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.409 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 0.9 OUTLIER -131.58 143.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.85 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.548 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 8.2 mttt -93.17 107.78 19.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.159 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.508 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 30.6 p90 -97.17 136.61 37.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.561 ' O ' HD11 ' A' ' 849' ' ' LEU . 34.6 tt0 -62.19 127.44 31.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -84.43 -174.92 5.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.57 -23.46 63.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.988 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.48 -9.52 44.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 102.64 -25.1 28.7 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.68 124.24 23.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.455 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 88.8 m-85 -67.8 123.95 21.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.38 158.35 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.066 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 14.4 t -76.89 149.95 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.426 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.764 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.4 OUTLIER -137.76 113.9 10.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.726 179.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -152.94 33.7 0.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.11 162.99 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.32 -34.98 73.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.3 OUTLIER -71.11 -34.76 71.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.016 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.764 ' HB3' HD12 ' A' ' 828' ' ' LEU . 1.5 m-20 -60.35 -42.72 96.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.651 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 33.4 t-105 -67.81 -35.85 79.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.565 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.9 -50.66 72.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 832' ' ' GLU . 22.0 t -62.45 -29.41 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.7 99.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -63.55 -47.12 82.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.705 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.01 -31.47 71.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.78 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.443 ' HE1' ' O ' ' A' ' 819' ' ' GLN . 1.8 ttm -60.79 -47.41 86.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.647 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.71 HD21 HD13 ' A' ' 849' ' ' LEU . 2.2 mt -79.53 -8.75 59.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.778 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -77.75 -44.17 28.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.322 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -88.82 -20.34 24.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -93.52 -2.14 54.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.043 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.04 26.76 10.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -81.48 134.13 35.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 21.09 13.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.057 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -162.23 153.96 18.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.885 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.71 HD13 HD21 ' A' ' 841' ' ' LEU . 8.9 tp -148.04 130.68 15.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.109 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -88.86 127.27 35.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.696 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 9.5 mm -112.48 148.21 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.947 0.403 . . . . 0.0 111.317 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -121.33 123.65 42.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.559 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 853' ' ' LEU . 11.6 tp -67.85 165.07 18.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.548 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.3 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . 0.403 ' O ' HG13 ' A' ' 762' ' ' ILE . 1.2 p . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.918 0.389 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 761' ' ' SER . 3.1 mt -141.26 138.28 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . 0.524 HD11 ' HB ' ' A' ' 782' ' ' THR . 0.2 OUTLIER -77.32 131.76 38.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.684 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . 0.448 ' CE2' HD11 ' A' ' 794' ' ' LEU . 0.1 OUTLIER -123.4 104.47 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.008 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -79.72 125.97 30.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.68 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . 0.81 HD13 HG23 ' A' ' 798' ' ' ILE . 10.4 mt -116.0 88.44 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 111.137 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 51.5 p -75.97 80.46 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 71.9 t80 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 179.86 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.74 0.305 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 19.1 mt -85.54 120.38 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -105.52 122.06 45.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . 0.524 ' HB ' HD11 ' A' ' 763' ' ' LEU . 43.2 p -82.61 129.28 34.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . 0.484 HD23 HG22 ' A' ' 785' ' ' VAL . 38.9 tp -125.19 139.87 53.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.2 70.21 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.694 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.484 HG22 HD23 ' A' ' 783' ' ' LEU . 1.9 t -65.04 140.28 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.173 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -101.16 163.83 12.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.727 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -79.2 -24.61 43.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 23.0 m -84.38 23.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -102.16 -177.67 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -132.19 -170.98 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.685 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -75.68 -49.58 17.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . 0.5 ' O ' HG22 ' A' ' 795' ' ' ILE . 2.0 p-10 -64.08 -40.12 95.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.999 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.56 -28.11 68.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.448 HD11 ' CE2' ' A' ' 764' ' ' PHE . 1.5 tt -69.01 -54.32 15.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 792' ' ' ASP . 0.4 OUTLIER -59.98 -27.02 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.27 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 17.7 ttp -70.1 -41.41 74.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.74 97.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.81 HG23 HD13 ' A' ' 766' ' ' ILE . 44.2 mt -62.01 -41.5 91.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.807 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.757 179.881 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.748 0.309 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -141.01 139.7 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.506 HD12 HG21 ' A' ' 851' ' ' ILE . 10.8 pt -138.01 156.93 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.023 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.474 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 4.9 mttp -111.14 124.84 52.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.028 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -106.51 145.57 31.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.526 ' O ' HD11 ' A' ' 849' ' ' LEU . 0.0 OUTLIER -68.36 121.87 17.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.975 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.95 -171.39 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.33 -17.18 58.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.73 -6.05 47.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.952 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 91.84 3.26 68.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.17 136.61 37.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.474 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 96.9 m-85 -73.98 124.7 26.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.19 158.82 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 4.9 t -79.74 141.44 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.287 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -127.88 108.86 11.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.795 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -150.65 38.54 0.87 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.641 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.61 149.39 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.74 0.305 . . . . 0.0 110.83 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -60.38 -30.06 69.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 836' ' ' VAL . 5.9 tt0 -72.29 -33.59 67.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.43 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -60.79 -47.6 85.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.653 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -64.38 -35.54 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -60.51 -54.7 42.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.663 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 832' ' ' GLU . 38.5 t -60.74 -29.08 44.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.687 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.19 92.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.863 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -66.8 -45.76 77.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.554 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -63.28 -31.58 72.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.853 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.481 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 39.8 ttp -61.52 -57.71 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.808 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.795 HD21 HD13 ' A' ' 849' ' ' LEU . 4.6 mt -69.18 -20.81 64.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.785 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.0 -46.34 81.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.304 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -87.66 -27.0 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.5 OUTLIER -83.59 0.88 44.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 56.35 24.85 8.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.493 ' HB3' HD22 ' A' ' 841' ' ' LEU . 0.8 OUTLIER -82.32 133.75 35.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.752 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.34 9.25 18.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.217 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -154.83 159.16 40.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.795 HD13 HD21 ' A' ' 841' ' ' LEU . 11.9 tp -140.64 156.75 46.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.53 115.9 30.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.733 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.506 HG21 HD12 ' A' ' 816' ' ' ILE . 3.5 mm -115.58 153.87 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.176 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -126.54 136.35 52.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.522 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.506 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -86.31 146.93 26.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.506 ' H ' HD13 ' A' ' 853' ' ' LEU . 92.6 m-85 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.087 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.461 0.115 0 CA-C-O 121.019 0.438 . . . . 0.0 111.397 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 4.6 mt -141.1 134.48 31.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.957 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . 0.513 HD21 HG22 ' A' ' 782' ' ' THR . 0.6 OUTLIER -80.86 121.97 26.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.589 179.69 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.78 102.43 11.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.185 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -81.13 125.06 29.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.364 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 5.6 mt -116.07 107.21 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.197 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.46 77.81 9.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.738 0.304 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 17.0 mt -85.76 107.06 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.493 ' HB2' HD12 ' A' ' 766' ' ' ILE . 52.4 m-85 -88.12 143.88 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.788 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . 0.513 HG22 HD21 ' A' ' 763' ' ' LEU . 76.9 p -111.66 106.75 15.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 1.3 tt -108.28 121.71 45.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.805 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.17 76.06 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.483 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.404 HG11 HD12 ' A' ' 794' ' ' LEU . 13.4 t -69.63 129.68 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.38 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -76.1 -174.07 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.769 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -112.81 -19.38 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.7 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 6.6 m -88.62 13.58 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -88.61 178.69 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.206 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -121.21 -161.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.721 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -80.77 -54.13 5.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.64 -40.56 95.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -31.51 72.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.678 HD21 HD11 ' A' ' 816' ' ' ILE . 0.6 OUTLIER -68.1 -53.73 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.724 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -63.78 -25.58 38.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 3.0 mtm -73.8 -40.39 63.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.9 -36.65 84.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' A' ' 795' ' ' ILE . 14.3 mt -66.29 -41.9 89.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.775 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.711 179.716 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 37.9 p . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.873 0.368 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.25 148.92 26.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.678 HD11 HD21 ' A' ' 794' ' ' LEU . 4.7 pt -135.94 136.26 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.191 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.552 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 43.6 mttt -88.35 131.02 34.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.964 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.468 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 30.7 p90 -115.59 142.12 47.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.843 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.62 135.63 51.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.026 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -99.98 -165.97 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -12.81 60.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.37 -8.73 41.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.044 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 94.39 -19.48 53.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.594 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.78 163.16 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.491 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 66.7 m-85 -97.95 118.46 34.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.641 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.85 153.35 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.283 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 40.9 t -78.6 138.13 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 818' ' ' TYR . 0.8 OUTLIER -121.12 104.64 9.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.799 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -140.03 24.7 2.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.641 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 1.6 m -144.83 150.26 36.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -33.37 74.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.98 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.1 OUTLIER -68.6 -31.84 71.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.43 -46.94 83.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -63.38 -35.8 81.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.717 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -60.9 -51.66 68.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 832' ' ' GLU . 39.8 t -60.89 -32.84 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.1 88.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.759 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -63.83 -44.0 94.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.508 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.42 -22.99 65.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.86 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 41.1 ttp -71.51 -40.12 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.72 HD21 HD13 ' A' ' 849' ' ' LEU . 3.6 mt -87.72 -8.89 55.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -83.93 -26.36 29.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -98.35 11.15 38.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -140.7 4.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 58.75 17.06 4.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 841' ' ' LEU . 3.0 mt-10 -66.04 121.46 15.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.739 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.48 28.12 8.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -163.11 170.26 18.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.033 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.72 HD13 HD21 ' A' ' 841' ' ' LEU . 11.7 tp -162.72 146.75 11.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.768 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.454 ' O ' HD13 ' A' ' 851' ' ' ILE . 68.1 m-20 -95.96 134.45 38.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.516 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 29.5 mm -123.27 134.66 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.183 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -111.68 133.3 54.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.71 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.95 168.14 19.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.552 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 3.0 m-85 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.918 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . 0.404 ' C ' HG13 ' A' ' 762' ' ' ILE . 4.2 m . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.809 0.338 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . 0.404 HG13 ' C ' ' A' ' 761' ' ' SER . 4.1 mt -136.19 128.29 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.72 106.39 7.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.534 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.06 112.69 23.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.242 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 23.7 mtt180 -89.44 118.87 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.372 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . 0.57 HD13 HG23 ' A' ' 798' ' ' ILE . 3.2 mt -116.01 97.88 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 111.257 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.27 81.53 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 78.9 t80 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.515 179.737 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.834 0.349 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' A' ' 765' ' ' ARG . 7.9 mt -68.77 116.68 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.238 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.56 ' HB2' HD12 ' A' ' 766' ' ' ILE . 30.6 m-85 -88.45 170.4 10.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 26.1 p -141.73 92.04 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.028 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.09 133.78 45.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.108 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 74.72 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.472 HG13 ' CE3' ' A' ' 789' ' ' TRP . 4.3 t -64.38 138.64 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.2 169.65 9.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.826 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -94.55 -3.77 49.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.768 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 16.3 m -102.59 9.18 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.472 ' CE3' HG13 ' A' ' 785' ' ' VAL . 23.6 m0 -87.51 -173.25 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -137.21 -172.28 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.522 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -70.99 -41.37 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.61 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.68 -37.78 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.45 -31.34 71.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.17 -55.72 9.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.823 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -24.75 29.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 9.4 mtm -77.4 -33.18 55.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.648 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.18 -50.24 64.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.57 HG23 HD13 ' A' ' 766' ' ' ILE . 3.1 mt -59.8 -49.21 84.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.921 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.753 0.311 . . . . 0.0 111.358 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -157.58 127.32 6.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.258 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 1.6 pt -146.66 143.09 20.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.708 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.54 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 13.2 mttp -106.69 128.49 54.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.124 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.659 ' HB2' HD21 ' A' ' 849' ' ' LEU . 44.9 p90 -103.8 148.96 25.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -72.45 127.02 31.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.957 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.79 -177.97 5.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.028 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -67.43 -24.38 65.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.93 -6.97 58.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.788 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 87.36 6.02 78.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.79 129.02 44.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.54 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 72.2 m-85 -66.39 115.0 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.619 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.43 153.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.195 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.514 HG22 ' HE3' ' A' ' 817' ' ' LYS . 3.2 t -71.62 149.98 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.3 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.836 HD12 ' HB3' ' A' ' 833' ' ' ASP . 1.2 tp -137.41 94.11 2.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.735 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.18 27.41 2.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.6 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 5.2 m -144.89 150.93 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.784 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -34.8 74.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.419 ' O ' HG23 ' A' ' 836' ' ' VAL . 13.5 tt0 -69.35 -34.96 75.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.964 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.836 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -56.72 -43.71 80.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.715 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . 0.435 ' O ' ' HD2' ' A' ' 838' ' ' LYS . 38.6 t-105 -67.02 -41.39 86.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.521 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -55.17 -47.2 75.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 832' ' ' GLU . 38.7 t -66.91 -28.42 42.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.991 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.47 91.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . 0.435 ' HD2' ' O ' ' A' ' 834' ' ' TRP . 0.1 OUTLIER -67.9 -49.54 61.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.507 179.559 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 842' ' ' ALA . 0.9 OUTLIER -59.52 -29.55 67.96 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.68 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.434 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.1 ttm -64.55 -54.41 32.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.428 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.757 HD21 HD13 ' A' ' 849' ' ' LEU . 9.0 mt -68.86 -9.98 54.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.489 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 839' ' ' GLU . . . -75.4 -56.4 4.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -74.7 -35.78 62.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.1 m-80 -73.76 -6.79 49.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 57.36 25.97 11.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 178.67 3.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 -25.03 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.193 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -123.75 -178.84 4.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.816 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.757 HD13 HD21 ' A' ' 841' ' ' LEU . 13.1 tp -161.27 134.11 6.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.28 123.5 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.536 HD11 HD23 ' A' ' 849' ' ' LEU . 8.9 mm -118.09 138.58 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.246 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.85 136.44 45.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.575 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.556 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -89.25 150.36 22.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.834 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.556 ' H ' HD13 ' A' ' 853' ' ' LEU . 87.2 m-85 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.093 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.9 mt -122.29 129.31 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.366 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . 0.442 ' HB3' ' HB2' ' A' ' 848' ' ' PHE . 0.3 OUTLIER -78.02 93.85 4.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.555 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.25 120.63 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.17 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . 0.523 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 7.3 mtp180 -99.75 131.18 45.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.56 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . 0.466 HD13 HG23 ' A' ' 798' ' ' ILE . 4.8 mt -123.37 106.11 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.277 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 21.7 t -76.73 83.04 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.801 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 77.6 t80 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.04 -179.863 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.851 0.358 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.426 HG21 ' NH1' ' A' ' 765' ' ' ARG . 50.5 mt -73.8 113.12 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.097 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.523 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 16.7 m-85 -88.21 148.31 24.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 25.9 p -122.41 93.15 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.025 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 9.4 tp -110.16 128.05 55.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.2 mp -80.45 78.0 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.547 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.762 HG11 HD12 ' A' ' 794' ' ' LEU . 6.5 t -64.39 118.13 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.169 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.71 166.47 15.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.123 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -88.37 -21.1 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.732 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 15.5 m -87.33 27.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.978 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.403 ' CE3' HG13 ' A' ' 785' ' ' VAL . 10.2 m0 -107.29 -179.68 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.035 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . 0.4 ' H ' ' HB2' ' A' ' 793' ' ' ASP . 0.2 OUTLIER -130.26 -174.54 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.751 179.808 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -67.93 -51.4 48.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.794 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.51 -35.15 79.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . 0.4 ' HB2' ' H ' ' A' ' 790' ' ' ASN . 0.4 OUTLIER -68.91 -37.91 79.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.669 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.762 HD12 HG11 ' A' ' 785' ' ' VAL . 1.8 tt -63.73 -52.5 60.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.81 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.688 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -65.48 -25.95 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.284 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.0 -39.69 65.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.972 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.55 80.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 795' ' ' ILE . 22.8 mt -64.8 -47.77 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 21.7 m120 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.732 179.823 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.694 0.283 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 146.45 50.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.43 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 2.8 pt -145.0 147.29 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.578 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 13.0 mttt -100.09 116.78 32.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.278 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.499 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 28.7 p90 -104.77 139.85 38.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.553 ' O ' HD11 ' A' ' 849' ' ' LEU . 47.9 tt0 -65.56 128.8 37.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -92.74 176.44 6.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.75 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -8.74 55.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.768 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.21 4.52 52.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 72.83 29.19 65.59 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.559 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -133.4 135.0 44.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.319 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.534 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 63.8 m-85 -72.1 119.88 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.715 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.0 151.55 11.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.71 139.83 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.354 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.499 ' HB2' ' CD1' ' A' ' 818' ' ' TYR . 0.4 OUTLIER -130.49 101.32 5.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.769 179.76 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -146.93 52.42 0.56 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.76 161.34 11.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.795 0.331 . . . . 0.0 110.959 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.99 -32.58 73.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.9 tt0 -71.83 -35.51 69.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.457 ' HB3' HD12 ' A' ' 828' ' ' LEU . 83.0 m-20 -59.34 -48.85 80.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.78 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 30.9 t-105 -64.67 -34.31 78.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.697 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.28 -49.53 75.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 832' ' ' GLU . 37.0 t -66.13 -31.38 53.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.149 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.83 -47.21 85.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -63.21 -42.96 99.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.675 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.27 -25.9 67.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.873 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.48 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.8 ttm -65.18 -52.82 52.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.609 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.589 HD21 HD13 ' A' ' 849' ' ' LEU . 7.8 mt -70.44 -16.79 62.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.549 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -77.91 -42.09 34.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.266 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.28 -4.88 58.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.5 OUTLIER -110.92 4.38 19.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.0 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 57.51 20.84 6.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.468 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 0.7 OUTLIER -72.81 -174.06 1.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.63 -27.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.228 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . 0.442 ' HB2' ' HB3' ' A' ' 763' ' ' LEU . 12.4 p90 -127.58 -176.57 3.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.863 0.364 . . . . 0.0 111.155 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.589 HD13 HD21 ' A' ' 841' ' ' LEU . 13.1 tp -165.18 151.88 10.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.594 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.463 ' O ' HD13 ' A' ' 851' ' ' ILE . 1.5 m-80 -107.32 134.64 50.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.196 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 850' ' ' ASN . 5.3 mm -126.05 146.43 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.801 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -134.13 139.67 46.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.746 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 3.0 mt -66.53 173.63 3.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.578 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.6 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 30.7 p . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.814 0.34 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 7.1 mt -133.32 136.41 54.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.28 136.25 40.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . 0.451 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -125.41 100.55 6.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.335 -179.587 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . 0.459 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 0.4 OUTLIER -74.55 127.4 33.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.161 179.454 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . 0.81 HD13 HG23 ' A' ' 798' ' ' ILE . 9.3 mt -123.33 97.5 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.324 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 58.3 p -87.48 109.37 19.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . 0.51 ' CD2' ' HG ' ' A' ' 853' ' ' LEU . 10.1 t80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.756 0.312 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 5.8 mt -87.75 121.91 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 44.4 m-85 -99.23 173.67 6.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 74.3 p -131.99 105.34 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.986 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . 0.569 HD12 HD11 ' A' ' 766' ' ' ILE . 0.6 OUTLIER -101.62 134.48 44.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.16 65.56 8.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.477 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.543 HG11 HD12 ' A' ' 794' ' ' LEU . 13.0 t -64.58 108.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.207 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.34 178.19 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -95.93 -14.91 22.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.41 13.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.484 ' CE3' HG13 ' A' ' 785' ' ' VAL . 11.8 m0 -95.35 -170.29 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.085 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -140.94 -169.14 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.414 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -70.4 -49.47 48.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.77 -45.73 85.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.992 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -30.34 70.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.694 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.543 HD12 HG11 ' A' ' 785' ' ' VAL . 3.4 tt -69.44 -57.36 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.806 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' A' ' 798' ' ' ILE . 3.1 tp -60.49 -24.92 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 32.5 tpp -71.87 -36.68 70.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.42 -43.84 84.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.25 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.81 HG23 HD13 ' A' ' 766' ' ' ILE . 5.9 mt -60.63 -46.99 94.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.819 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.798 0.332 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.41 118.17 0.64 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 5.9 pt -144.91 151.82 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.479 ' HB2' ' HE1' ' A' ' 854' ' ' TYR . 61.0 mttt -111.91 129.89 56.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.98 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.435 ' HD2' HD21 ' A' ' 849' ' ' LEU . 24.4 p90 -103.59 146.45 28.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.03 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -73.42 138.11 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.997 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . 0.45 ' HA ' ' HE1' ' A' ' 840' ' ' MET . 0.5 OUTLIER -93.83 -176.5 4.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.2 -21.33 64.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -97.7 6.96 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.721 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 71.33 43.58 54.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.461 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -126.17 121.17 32.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -66.38 108.67 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.19 152.84 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.213 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.411 HG22 ' HE2' ' A' ' 817' ' ' LYS . 4.1 t -66.99 153.87 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.809 HD12 ' HB3' ' A' ' 833' ' ' ASP . 1.7 tp -146.42 94.91 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.681 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.45 35.39 2.02 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.611 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 60.2 p -154.46 147.66 24.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -60.57 -27.8 67.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 836' ' ' VAL . 3.7 tt0 -71.65 -40.65 69.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.809 ' HB3' HD12 ' A' ' 828' ' ' LEU . 3.3 m-20 -57.59 -40.9 80.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.615 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -67.41 -36.17 80.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.338 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -61.86 -50.1 73.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.486 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 832' ' ' GLU . 15.1 t -63.53 -32.05 55.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.784 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -61.33 -37.97 85.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.646 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -42.69 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.425 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.54 -26.45 68.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.435 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 44.6 ttp -70.32 -45.66 65.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.481 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.53 HD21 HD13 ' A' ' 849' ' ' LEU . 5.9 mt -76.45 -18.33 58.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.845 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.91 -37.0 41.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.199 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -90.38 -7.35 53.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.7 OUTLIER -116.83 -2.32 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.0 18.32 6.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 841' ' ' LEU . 1.0 OUTLIER -68.87 124.29 23.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.26 14.82 24.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.982 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -152.64 157.48 41.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.749 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.53 HD13 HD21 ' A' ' 841' ' ' LEU . 8.6 tp -150.26 132.08 15.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.046 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -85.16 123.51 30.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.004 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.43 HG13 ' CE2' ' A' ' 764' ' ' PHE . 5.3 mm -120.25 141.71 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.249 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -112.99 142.05 46.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.827 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.512 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -88.32 148.6 24.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.047 -179.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.512 ' H ' HD13 ' A' ' 853' ' ' LEU . 94.6 m-85 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.972 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 89.4 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.682 0.277 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 16.4 mt -134.5 133.03 54.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.193 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.63 83.85 5.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.725 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.13 107.45 5.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.169 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 849' ' ' LEU . 25.4 mtm180 -83.56 127.96 34.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.435 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . 0.553 HD12 ' HB2' ' A' ' 781' ' ' PHE . 2.4 mt -115.87 87.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.783 0.325 . . . . 0.0 111.218 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.38 92.62 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . 0.485 ' CD2' ' HG ' ' A' ' 853' ' ' LEU . 4.1 t80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.836 0.35 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.3 mt -85.42 124.69 40.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.203 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.553 ' HB2' HD12 ' A' ' 766' ' ' ILE . 32.4 m-85 -108.96 121.8 45.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.745 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 49.7 p -91.79 119.83 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 9.7 tp -122.94 138.34 54.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.84 83.53 7.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.664 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.43 HG13 ' CE3' ' A' ' 789' ' ' TRP . 3.4 t -70.96 147.73 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.173 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . 0.406 ' HB3' HG22 ' A' ' 788' ' ' VAL . 5.7 mm-40 -106.35 145.48 31.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.798 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -70.51 -6.59 37.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.982 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . 0.406 HG22 ' HB3' ' A' ' 786' ' ' GLU . 16.1 m -100.48 30.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.43 ' CE3' HG13 ' A' ' 785' ' ' VAL . 9.3 m0 -110.92 -171.28 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -136.13 -177.6 4.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.556 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . 0.415 ' CZ ' ' HA2' ' A' ' 829' ' ' GLY . 74.2 t80 -68.74 -49.42 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.72 -35.34 80.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.741 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -33.71 69.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -50.75 65.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.891 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -65.96 -25.19 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.176 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 1.8 ttp -72.48 -41.08 66.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.814 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.67 91.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.891 HD12 ' HA ' ' A' ' 795' ' ' ILE . 12.0 mt -61.63 -45.87 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.662 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.578 179.608 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.76 0.314 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 134.73 38.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.538 HG22 HD22 ' A' ' 853' ' ' LEU . 8.3 pt -137.76 155.43 30.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.575 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 17.0 mttt -119.41 126.96 52.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.485 ' HB2' HD21 ' A' ' 849' ' ' LEU . 33.9 p90 -100.19 141.6 32.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.096 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -66.2 136.53 56.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.45 -177.86 4.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -25.27 66.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.73 -21.64 34.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 101.38 24.42 8.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.58 128.96 55.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.575 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 40.2 m-85 -66.88 115.44 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.95 148.94 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . 0.479 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 22.1 t -64.38 145.27 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.314 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.667 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.7 OUTLIER -137.09 95.91 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.772 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . 0.415 ' HA2' ' CZ ' ' A' ' 791' ' ' PHE . . . -137.98 24.36 2.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.682 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.71 156.26 46.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.738 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.85 -36.27 83.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.766 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.5 OUTLIER -66.37 -37.7 85.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.667 ' HB3' HD12 ' A' ' 828' ' ' LEU . 1.6 m-20 -57.0 -42.62 80.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.686 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -66.55 -35.48 80.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.389 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -39.87 94.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.517 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 832' ' ' GLU . 21.5 t -68.85 -30.21 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.88 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.71 97.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -66.96 -37.45 84.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.6 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -74.85 -23.54 58.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.792 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.4 ttm -68.74 -47.87 65.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.664 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.56 HD21 HD13 ' A' ' 849' ' ' LEU . 5.5 mt -80.18 -14.82 58.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.515 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.36 -62.63 1.33 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.045 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -67.14 -35.65 80.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.009 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -75.32 -6.13 48.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 57.17 26.19 11.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.96 -164.77 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.07 -27.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -123.07 155.54 36.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.803 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.56 HD13 HD21 ' A' ' 841' ' ' LEU . 15.1 tp -142.48 146.26 34.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.07 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -102.22 123.19 45.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . . . . . . . . . 8.0 mm -118.46 145.03 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.303 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -114.38 138.97 49.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.799 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . 0.538 HD22 HG22 ' A' ' 816' ' ' ILE . 0.2 OUTLIER -91.68 146.16 24.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.423 ' HE1' ' HB2' ' A' ' 817' ' ' LYS . 83.4 m-85 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.089 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.799 0.333 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.5 mt -139.25 121.95 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 763' ' ' LEU . 0.5 OUTLIER -70.84 105.73 3.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.562 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . 0.44 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -100.0 117.08 33.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.314 -179.604 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . 0.48 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 21.1 mtt-85 -93.23 130.73 38.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.447 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . 0.678 HD12 ' HB2' ' A' ' 781' ' ' PHE . 3.4 mt -123.9 107.57 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.246 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 1.7 t -86.57 138.18 31.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 57.3 t80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.717 179.792 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.9 mt -117.0 124.87 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.987 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . 0.678 ' HB2' HD12 ' A' ' 766' ' ' ILE . 11.1 m-85 -98.6 159.26 15.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.786 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 82.6 p -129.26 89.7 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.181 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.5 128.28 49.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 7.6 mp -79.8 88.2 5.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.539 HG11 HD12 ' A' ' 794' ' ' LEU . 15.2 t -70.89 131.44 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.079 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 2.0 mm-40 -92.27 152.14 19.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -70.91 -27.97 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 31.6 m -70.57 -12.21 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.025 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.51 ' HE3' HG13 ' A' ' 785' ' ' VAL . 13.1 m0 -74.42 166.43 23.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.238 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -119.89 -168.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.54 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -69.7 -46.35 66.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.625 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -67.5 -41.25 84.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -32.89 74.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.539 HD12 HG11 ' A' ' 785' ' ' VAL . 1.3 tt -69.68 -55.05 11.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.868 ' HA ' HD12 ' A' ' 798' ' ' ILE . 4.5 tp -59.55 -28.16 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 2.5 ttm -72.12 -36.63 69.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.764 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.35 80.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' A' ' 795' ' ' ILE . 6.8 mt -69.67 -50.34 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.684 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.932 0.396 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . 0.421 ' HG2' ' CE2' ' A' ' 854' ' ' TYR . 3.0 tttt -166.91 124.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.413 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 1.0 OUTLIER -139.55 151.11 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.388 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.535 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 0.9 OUTLIER -106.15 117.81 34.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.715 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . 0.807 ' HB2' HD21 ' A' ' 849' ' ' LEU . 18.9 p90 -101.28 140.5 35.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.49 ' O ' HD11 ' A' ' 849' ' ' LEU . 7.4 tt0 -71.34 120.84 17.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.02 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -76.4 -176.27 3.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.787 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.67 -18.32 62.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.3 7.45 45.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 69.45 30.91 71.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.24 119.84 34.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.754 0.311 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -59.67 117.74 5.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.84 156.91 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 3.0 t -75.22 149.4 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.632 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -142.29 105.65 4.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.799 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -142.92 11.68 2.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.03 156.54 44.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -63.99 -31.46 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.7 OUTLIER -68.01 -35.27 78.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.797 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.632 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -62.5 -49.86 73.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.782 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -61.54 -32.87 72.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.524 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -63.01 -48.76 77.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.737 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 832' ' ' GLU . 21.7 t -66.43 -30.39 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.971 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.59 88.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -67.64 -36.12 80.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.509 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.69 -22.52 62.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.563 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 0.4 OUTLIER -76.01 -41.4 51.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.538 179.719 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.712 HD21 HD13 ' A' ' 849' ' ' LEU . 1.4 mt -83.29 -11.85 57.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.633 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -75.01 -49.33 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.38 10.9 15.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.7 OUTLIER -125.28 1.53 7.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 57.17 24.92 10.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.046 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.48 132.92 34.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.722 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -112.62 -10.68 13.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.077 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -124.9 177.59 5.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 818' ' ' TYR . 16.5 tp -165.94 145.32 6.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -100.0 132.98 45.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.769 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.461 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 14.4 mm -123.15 140.36 47.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.928 0.394 . . . . 0.0 111.399 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.33 145.13 43.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.696 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 11.4 tp -82.59 163.49 21.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.047 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . 0.535 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.2 m-85 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.806 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 761' ' ' SER . . . . . 0.431 ' OG ' HD23 ' A' ' 784' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.6 mp -124.4 127.98 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 763' ' ' LEU . . . . . 0.446 HD11 HG22 ' A' ' 782' ' ' THR . 0.3 OUTLIER -70.93 95.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.54 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 764' ' ' PHE . . . . . 0.428 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -91.03 115.4 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.033 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 765' ' ' ARG . . . . . 0.412 ' HB3' ' CG2' ' A' ' 780' ' ' ILE . 6.6 mtp180 -88.58 130.36 35.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.764 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 766' ' ' ILE . . . . . . . . . . . . . 6.1 mt -123.6 93.0 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.8 109.68 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 41.0 t80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.95 0.405 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 780' ' ' ILE . . . . . 0.412 ' CG2' ' HB3' ' A' ' 765' ' ' ARG . 16.5 mt -77.81 119.91 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -96.09 172.1 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.644 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 782' ' ' THR . . . . . 0.446 HG22 HD11 ' A' ' 763' ' ' LEU . 64.2 p -136.13 94.75 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.351 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.25 120.17 41.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.756 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 784' ' ' LEU . . . . . 0.431 HD23 ' OG ' ' A' ' 761' ' ' SER . 5.3 mp -73.73 91.31 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 785' ' ' VAL . . . . . 0.456 HG13 ' CE3' ' A' ' 789' ' ' TRP . 5.0 t -76.94 132.73 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.02 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.93 164.7 13.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.991 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -82.43 -18.32 42.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.737 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 31.2 m -86.73 23.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.982 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 789' ' ' TRP . . . . . 0.456 ' CE3' HG13 ' A' ' 785' ' ' VAL . 6.4 m0 -105.93 -175.78 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.177 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -138.29 -174.32 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.55 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -68.66 -44.67 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.04 -37.31 81.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -31.93 68.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.655 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 794' ' ' LEU . . . . . 0.438 HD21 HD11 ' A' ' 816' ' ' ILE . 1.2 tt -69.41 -51.21 38.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.772 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 795' ' ' ILE . . . . . 0.411 ' HA ' HD12 ' A' ' 798' ' ' ILE . 3.9 tp -64.03 -23.56 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -35.48 63.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -67.77 -47.2 69.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.278 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 798' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 795' ' ' ILE . 13.1 mt -58.12 -49.99 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.186 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.941 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.865 0.364 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.45 123.85 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.992 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 816' ' ' ILE . . . . . 0.438 HD11 HD21 ' A' ' 794' ' ' LEU . 6.6 pt -137.01 149.63 26.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 817' ' ' LYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 33.0 mttt -112.82 134.13 54.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.096 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -109.98 149.0 30.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 819' ' ' GLN . . . . . 0.475 ' O ' HD11 ' A' ' 849' ' ' LEU . 26.1 tt0 -77.24 135.58 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -105.86 -165.14 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.056 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 821' ' ' GLU . . . . . 0.461 ' HG2' HD21 ' A' ' 844' ' ' ASN . 1.0 OUTLIER -69.44 -18.71 63.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.98 -8.54 58.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 83.91 3.83 89.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.13 160.83 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.727 0.299 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 825' ' ' PHE . . . . . 0.586 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 68.9 m-85 -93.93 107.99 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -91.27 156.53 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.16 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 2.8 t -71.82 148.87 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 828' ' ' LEU . . . . . 0.721 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.5 OUTLIER -141.97 96.31 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.793 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.21 29.93 2.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.561 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.96 155.63 43.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.741 0.305 . . . . 0.0 110.933 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.18 -35.69 81.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 832' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 836' ' ' VAL . 4.2 tm-20 -67.81 -39.2 84.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 833' ' ' ASP . . . . . 0.721 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.7 OUTLIER -54.82 -40.6 69.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.653 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -69.25 -36.75 77.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.385 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -61.17 -43.27 99.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.701 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 836' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 832' ' ' GLU . 5.3 t -70.43 -27.21 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.764 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.91 92.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.723 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -64.47 -42.9 95.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.43 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.34 -20.3 66.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.535 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 840' ' ' MET . . . . . 0.416 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 25.9 ttp -71.18 -53.1 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.38 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 841' ' ' LEU . . . . . 0.838 HD21 HD13 ' A' ' 849' ' ' LEU . 10.0 mt -72.87 -14.19 61.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.473 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.86 -62.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.01 -36.91 85.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 844' ' ' ASN . . . . . 0.461 HD21 ' HG2' ' A' ' 821' ' ' GLU . 30.3 m-20 -76.06 -6.64 52.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 24.3 t30 57.56 24.84 10.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.666 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 846' ' ' GLU . . . . . 0.506 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 0.5 OUTLIER -66.29 -174.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.932 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -147.7 -30.48 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -128.4 169.66 14.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.924 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 849' ' ' LEU . . . . . 0.838 HD13 HD21 ' A' ' 841' ' ' LEU . 13.1 tp -152.1 135.3 15.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 850' ' ' ASN . . . . . 0.41 ' O ' HD13 ' A' ' 851' ' ' ILE . 2.4 m-80 -86.61 127.26 34.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 851' ' ' ILE . . . . . 0.41 HD13 ' O ' ' A' ' 850' ' ' ASN . 5.7 mm -123.82 145.78 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -118.57 143.1 47.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.815 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.21 148.95 21.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.828 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.372 -0.823 . . . . 0.0 111.119 -179.66 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -68.79 -18.03 41.89 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.488 2.126 . . . . 0.0 112.222 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.28 133.12 36.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 70.13 57.63 6.77 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.599 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . 0.422 ' C ' HG13 ' A' ' 762' ' ' ILE . 19.4 p -156.07 163.21 39.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.841 0.353 . . . . 0.0 110.882 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . 0.422 HG13 ' C ' ' A' ' 761' ' ' SER . 3.6 mt -134.88 129.85 51.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' A' ' 763' ' ' LEU . 0.4 OUTLIER -74.49 109.94 8.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.669 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.47 128.56 52.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.09 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.44 ' HB3' ' CG2' ' A' ' 780' ' ' ILE . 1.0 OUTLIER -110.03 130.01 55.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.543 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 0.7 OUTLIER -125.92 103.48 11.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.29 -179.778 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 9.4 t -78.89 72.62 5.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.606 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . 0.426 ' OH ' HG21 ' A' ' 810' ' ' ILE . 70.5 t80 -61.47 113.12 2.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.005 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -95.29 155.14 16.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.878 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . 0.499 ' HB3' ' HB2' ' A' ' 776' ' ' SER . 17.1 t-20 -82.92 -62.22 1.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.992 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -143.8 3.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 9.1 t 56.94 88.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.994 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -152.08 -165.58 2.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.03 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -66.71 -15.7 63.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.62 123.13 4.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 770' ' ' ASN . 0.9 OUTLIER -161.15 -16.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.966 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.24 85.32 0.08 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.041 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.8 145.97 51.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.993 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -121.65 123.89 42.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.662 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.502 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 12.9 mt -105.69 113.2 41.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.332 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.413 ' HB3' ' HE3' ' A' ' 801' ' ' LYS . 7.3 m-85 -90.12 151.29 21.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.724 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 44.7 p -125.15 107.91 11.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.307 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . 0.47 HD23 HD11 ' A' ' 766' ' ' ILE . 0.3 OUTLIER -122.81 143.76 49.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.718 179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 6.5 mp -83.55 100.15 10.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.329 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.473 HG13 ' CE3' ' A' ' 789' ' ' TRP . 11.9 t -79.58 118.86 27.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.886 179.65 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.56 162.75 28.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.079 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -88.68 -10.21 49.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.723 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 24.0 m -95.3 16.86 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.473 ' CE3' HG13 ' A' ' 785' ' ' VAL . 11.9 m0 -96.13 -176.11 3.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.072 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . 0.407 ' H ' ' HB2' ' A' ' 793' ' ' ASP . 6.2 m120 -136.66 -176.55 4.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.325 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -64.29 -42.51 96.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.826 0.346 . . . . 0.0 110.632 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -69.75 -43.72 71.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . 0.407 ' HB2' ' H ' ' A' ' 790' ' ' ASN . 1.1 m-20 -65.41 -25.68 67.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.742 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 1.8 tt -74.21 -53.51 9.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.827 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.658 ' HA ' HD12 ' A' ' 798' ' ' ILE . 3.6 tp -63.01 -24.49 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.199 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 16.0 ttm -72.89 -41.61 64.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.751 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -62.77 -38.5 90.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.956 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' A' ' 795' ' ' ILE . 14.1 mt -64.81 -40.78 90.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.172 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -57.78 -49.32 76.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.959 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 4.2 m -61.57 -29.78 70.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.848 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.413 ' HE3' ' HB3' ' A' ' 781' ' ' PHE . 2.3 tptt -65.39 -34.99 79.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 798' ' ' ILE . 14.4 mt -72.91 -33.4 43.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.995 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 10.0 t -87.2 -11.97 48.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -72.82 -33.8 66.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.02 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.44 -47.6 4.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.231 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.13 121.63 26.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.697 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -66.56 -29.51 69.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.87 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.38 179.7 2.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -132.7 96.03 3.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . 0.426 HG21 ' OH ' ' A' ' 768' ' ' TYR . 1.1 pt -77.81 178.19 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.133 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.54 140.75 97.81 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.755 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -64.35 118.14 5.13 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.422 2.081 . . . . 0.0 112.228 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 20.9 mm -76.48 142.12 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.28 11.79 1.54 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.334 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.504 ' HE2' ' HZ2' ' A' ' 817' ' ' LYS . 14.4 tttt -143.72 119.58 10.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.911 0.386 . . . . 0.0 111.069 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.555 HD12 HG21 ' A' ' 851' ' ' ILE . 18.8 pt -138.5 148.29 24.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.933 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.742 ' HE3' HG22 ' A' ' 827' ' ' VAL . 31.7 mttp -111.63 129.39 56.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -103.02 158.89 15.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -85.46 130.15 34.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.095 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -91.2 -160.41 0.72 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.56 -26.49 55.17 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.185 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -79.97 -32.22 39.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.079 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 114.15 -1.56 24.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.514 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -87.44 153.82 21.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.538 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 51.7 m-85 -85.3 112.87 21.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.784 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -101.55 140.4 20.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.742 HG22 ' HE3' ' A' ' 817' ' ' LYS . 14.5 t -61.81 146.58 11.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.564 -179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.448 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.5 OUTLIER -142.26 94.36 2.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.584 179.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -135.14 13.7 4.35 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.617 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.29 160.47 29.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.837 0.351 . . . . 0.0 110.842 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -68.25 -45.26 73.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.1 OUTLIER -61.53 -29.76 70.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.981 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.448 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.4 OUTLIER -64.19 -32.26 73.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.635 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -75.26 -38.22 60.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.633 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -61.53 -44.82 96.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.683 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 832' ' ' GLU . 37.7 t -66.96 -33.51 63.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.879 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.45 -39.74 80.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.674 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt -68.93 -41.11 78.53 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.455 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -68.41 -20.01 64.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.579 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 2.9 tmm? -72.29 -53.09 13.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.551 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.872 HD21 HD13 ' A' ' 849' ' ' LEU . 2.4 mt -72.05 -20.19 61.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.701 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.62 -53.2 30.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.215 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.74 -34.75 67.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -79.18 -2.47 41.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 57.14 22.25 7.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -171.72 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.103 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.78 -27.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.007 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -117.45 175.28 5.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.79 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.872 HD13 HD21 ' A' ' 841' ' ' LEU . 12.5 tp -158.63 141.58 14.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.036 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -100.81 121.19 41.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.555 HG21 HD12 ' A' ' 816' ' ' ILE . 3.4 mm -118.28 146.06 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 854' ' ' TYR . 5.7 ttt-85 -115.07 141.72 47.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.539 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -94.52 143.85 26.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.621 179.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.539 ' H ' HD13 ' A' ' 853' ' ' LEU . 64.2 m-85 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.186 -0.912 . . . . 0.0 111.194 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.268 0 N-CA-C 112.555 -0.218 . . . . 0.0 112.555 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.37 -23.86 14.84 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.544 2.163 . . . . 0.0 112.359 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 5.9 mt -82.38 171.5 14.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.088 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -95.26 52.19 1.85 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.412 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.4 -168.41 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.311 . . . . 0.0 110.871 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.2 mp -135.78 129.26 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.052 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.08 135.8 42.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.624 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.42 104.23 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.545 -179.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.476 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 10.4 mtp180 -82.51 131.55 35.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.987 179.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . 0.533 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 2.1 mp -121.18 97.49 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.945 0.402 . . . . 0.0 111.463 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 853' ' ' LEU . 13.5 t -77.69 120.8 23.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.853 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -116.52 125.09 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -101.92 132.68 47.58 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -85.7 -55.3 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -128.54 56.79 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.03 32.49 21.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.935 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . 0.575 HD21 ' HB2' ' A' ' 778' ' ' SER . 0.6 OUTLIER 58.47 78.73 0.24 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.935 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -71.46 -58.57 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.7 -70.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 5.2 m -151.72 54.39 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.801 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.31 18.27 20.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.973 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . 0.575 ' HB2' HD21 ' A' ' 773' ' ' ASN . 28.8 t -82.33 144.55 30.49 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -139.57 116.32 10.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.978 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.533 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 3.1 mt -104.91 132.61 51.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.027 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 4.3 m-85 -102.32 159.55 15.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.996 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 34.6 p -123.19 107.59 11.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.905 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 14.0 tp -109.48 125.54 52.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.31 81.58 5.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.439 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.502 HG11 HD12 ' A' ' 794' ' ' LEU . 3.4 t -71.14 130.23 35.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -89.16 179.09 6.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.818 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -95.27 -21.18 18.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . 0.4 ' H ' HG22 ' A' ' 788' ' ' VAL . 4.2 m -85.54 28.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.949 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.41 ' CE3' HG13 ' A' ' 785' ' ' VAL . 13.2 m0 -111.76 178.79 4.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.077 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.72 -170.92 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.447 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -70.4 -49.69 46.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.74 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 796' ' ' MET . 38.9 t70 -66.31 -33.49 75.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.84 -31.71 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.792 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.502 HD12 HG11 ' A' ' 785' ' ' VAL . 1.4 tt -74.69 -51.15 15.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.823 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 2.9 tp -61.15 -29.93 46.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . 0.442 ' HB2' ' O ' ' A' ' 792' ' ' ASP . 0.3 OUTLIER -74.36 -38.5 63.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.793 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.33 -52.55 57.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.521 ' O ' HG13 ' A' ' 802' ' ' ILE . 16.1 mt -58.67 -35.46 55.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -59.72 -43.39 94.17 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.394 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.03 -19.75 61.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.474 179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -73.73 -28.7 61.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.574 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 798' ' ' ILE . 2.4 mt -86.55 -28.6 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.83 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 10.9 t -103.12 59.63 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.82 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -141.54 -41.93 0.37 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.048 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 6.6 t -114.39 -7.95 12.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.269 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -76.91 -168.65 1.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.962 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -59.39 -72.03 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -140.79 -74.74 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.141 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -153.52 125.75 7.98 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.139 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.1 pt -99.42 163.14 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.912 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 1.2 t -60.38 141.2 91.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.001 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 35.1 Cg_exo -57.84 176.84 0.29 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.694 2.263 . . . . 0.0 112.38 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.718 HG12 HD11 ' A' ' 853' ' ' LEU . 0.9 OUTLIER -119.13 -63.07 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 5.0 p 54.57 21.11 3.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.166 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.9 93.19 0.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 17.7 pt -120.69 146.71 25.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.57 ' HG2' ' HA ' ' A' ' 827' ' ' VAL . 11.4 mttt -109.97 136.71 48.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.04 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.449 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 23.9 p90 -112.94 147.25 37.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.506 ' O ' HD11 ' A' ' 849' ' ' LEU . 18.6 tt0 -73.77 147.32 43.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.052 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -113.27 -164.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -70.53 -32.17 69.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.17 -5.59 47.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 86.89 -11.4 64.73 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.533 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.32 169.83 17.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.83 0.347 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 84.6 m-85 -108.01 115.73 30.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.696 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.66 152.48 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.57 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 2.6 t -71.99 151.93 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.416 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.707 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.5 OUTLIER -141.4 98.83 3.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.726 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -140.71 33.63 2.03 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.487 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.3 149.59 27.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 110.927 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -58.47 -33.14 69.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.8 tp10 -66.55 -36.59 83.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.913 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.707 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.6 OUTLIER -60.53 -49.14 78.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.729 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -62.18 -29.74 70.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.404 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -67.39 -48.82 66.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.598 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 832' ' ' GLU . 21.1 t -66.83 -30.23 48.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.749 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.53 -41.42 97.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.601 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 27.0 mtmt -65.81 -45.24 83.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.486 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -63.69 -27.12 69.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.621 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.421 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 48.2 ttp -65.0 -55.23 20.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.491 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.611 HD21 HD13 ' A' ' 849' ' ' LEU . 5.7 mt -68.05 -13.8 62.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.619 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.58 -50.2 11.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -83.89 -1.47 54.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.927 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.421 ' HB2' ' O ' ' A' ' 840' ' ' MET . 1.7 m-80 -112.72 -0.49 15.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.7 m120 57.09 20.63 5.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.528 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 2.3 mm-40 -66.76 179.77 1.02 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.69 -28.04 0.35 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.155 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -129.37 168.22 16.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.833 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.611 HD13 HD21 ' A' ' 841' ' ' LEU . 12.3 tp -153.77 125.25 7.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.406 ' O ' HD13 ' A' ' 851' ' ' ILE . 13.9 m-80 -78.09 136.62 37.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.406 HD13 ' O ' ' A' ' 850' ' ' ASN . 22.9 mm -123.27 145.88 29.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.23 135.71 50.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.698 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.718 HD11 HG12 ' A' ' 813' ' ' ILE . 0.2 OUTLIER -90.96 147.46 23.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.504 ' H ' HD13 ' A' ' 853' ' ' LEU . 87.3 m-85 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.227 -0.892 . . . . 0.0 111.063 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 CA-C-O 120.187 -0.229 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.44 -41.81 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.589 2.192 . . . . 0.0 112.421 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.04 64.53 5.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 164.38 -178.15 39.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.519 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . 0.436 ' C ' HG13 ' A' ' 762' ' ' ILE . 4.5 m 60.99 174.77 0.1 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.047 0.451 . . . . 0.0 111.262 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . 0.436 HG13 ' C ' ' A' ' 761' ' ' SER . 18.4 mt -142.11 131.71 23.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.018 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' A' ' 763' ' ' LEU . 0.2 OUTLIER -76.12 94.76 3.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.455 179.588 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . 0.471 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -90.65 95.59 10.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.316 -179.452 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.456 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 33.7 mtt180 -73.49 134.58 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.369 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . . . . . . . . . 1.5 mt -125.55 98.62 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.791 0.329 . . . . 0.0 111.419 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 2.1 t -87.38 82.7 7.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -78.96 138.73 38.21 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -121.97 111.08 16.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.043 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -78.3 -16.86 57.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -109.52 -159.9 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 2.7 t -130.18 -55.0 1.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.023 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -135.81 99.59 4.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.001 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -138.63 -170.54 2.86 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.84 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 40.1 p -82.14 -48.01 11.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.87 105.75 0.6 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.27 18.99 1.56 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.818 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 61.5 p -87.15 121.32 29.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.68 113.9 26.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.854 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . . . . . . . . . 12.7 mt -94.35 124.52 46.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 28.5 m-85 -96.23 177.76 5.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.757 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 48.0 p -138.71 90.98 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.038 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . 0.554 ' HB2' ' HE3' ' A' ' 801' ' ' LYS . 50.9 tp -99.12 114.55 27.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.029 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.46 85.68 3.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.737 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.471 HG23 ' HB2' ' A' ' 764' ' ' PHE . 3.7 t -77.17 146.89 7.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.143 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -91.11 170.6 9.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -91.74 -22.18 20.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 29.8 m -90.89 25.22 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 7.4 m0 -101.35 -178.64 3.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.181 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -130.14 -164.59 1.43 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.55 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -77.56 -49.95 13.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.776 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.401 ' O ' HG22 ' A' ' 795' ' ' ILE . 3.2 p30 -62.62 -37.36 85.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -68.45 -27.25 66.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 2.4 tt -71.23 -49.79 39.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.799 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.58 ' HA ' HD12 ' A' ' 798' ' ' ILE . 1.0 OUTLIER -67.04 -21.35 28.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.35 -179.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 7.8 tpp -73.2 -48.64 33.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.148 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.1 -43.08 95.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.16 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.58 HD12 ' HA ' ' A' ' 795' ' ' ILE . 18.9 mt -59.86 -46.97 93.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.913 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.72 -40.89 80.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.84 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 28.3 t -65.13 -31.48 72.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.745 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.554 ' HE3' ' HB2' ' A' ' 783' ' ' LEU . 0.5 OUTLIER -67.72 -31.83 72.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.829 179.909 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.605 HG13 HD11 ' A' ' 813' ' ' ILE . 2.4 mm -73.2 -54.09 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.743 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . 0.497 ' HA ' HD21 ' A' ' 809' ' ' ASN . 1.2 t -74.51 73.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.065 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -174.58 -35.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.708 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 33.3 p -101.7 -161.6 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.044 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 59.31 -165.85 0.19 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.019 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -87.81 -52.3 5.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.038 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -124.5 -85.0 0.65 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.114 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . 0.497 HD21 ' HA ' ' A' ' 803' ' ' SER . 0.4 OUTLIER -171.28 136.5 1.04 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.847 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.4 pt -103.66 -173.06 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.154 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 1.1 t -60.68 145.58 87.56 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -75.95 -177.22 3.48 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.631 2.221 . . . . 0.0 112.474 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.605 HD11 HG13 ' A' ' 802' ' ' ILE . 0.4 OUTLIER -118.47 158.0 19.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.95 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.08 -56.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.394 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.66 143.96 46.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.897 0.38 . . . . 0.0 111.197 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 2.4 pt -146.58 149.36 16.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.789 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.682 ' HE3' HG22 ' A' ' 827' ' ' VAL . 15.9 mttp -109.16 125.54 52.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.993 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.428 ' HD1' ' HB2' ' A' ' 828' ' ' LEU . 27.6 p90 -97.76 138.52 35.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.474 ' O ' HD11 ' A' ' 849' ' ' LEU . 15.8 tt0 -72.22 126.51 29.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.59 -177.03 5.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.8 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -71.89 -5.1 32.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.93 11.61 25.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.761 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 69.83 16.84 72.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.581 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.24 116.01 31.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.756 0.313 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.449 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 53.0 m-85 -64.56 125.02 23.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.983 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.22 153.97 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.682 HG22 ' HE3' ' A' ' 817' ' ' LYS . 3.4 t -64.78 151.51 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.213 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.498 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -145.25 94.84 2.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.71 179.751 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -140.32 41.79 1.26 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.371 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 3.6 t -157.3 160.55 38.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.784 0.326 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -38.12 76.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.801 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.581 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.0 OUTLIER -66.08 -34.06 77.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.711 179.875 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.498 ' HB3' HD12 ' A' ' 828' ' ' LEU . 3.9 m-20 -59.83 -45.42 92.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.7 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -62.42 -38.33 89.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.508 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -60.11 -45.86 91.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.786 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 832' ' ' GLU . 13.9 t -63.31 -31.9 54.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.739 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.76 -39.69 92.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.656 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -65.45 -41.88 92.97 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.48 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -68.79 -28.69 67.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.575 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.456 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.6 ttm -63.29 -46.97 84.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.604 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.8 HD21 HD13 ' A' ' 849' ' ' LEU . 2.2 mt -78.47 -14.37 59.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.722 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -79.26 -32.87 43.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.343 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -102.02 6.39 41.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.046 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.7 m-80 -127.78 -1.34 6.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 59.11 14.92 3.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.114 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 841' ' ' LEU . 1.5 mt-10 -66.74 122.22 17.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.651 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.65 15.05 30.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.063 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -155.75 169.63 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.858 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.8 HD13 HD21 ' A' ' 841' ' ' LEU . 11.7 tp -156.96 122.63 4.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.102 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -83.87 121.63 27.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . . . . . . . . . 10.1 mm -114.41 142.23 27.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.143 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 8.1 ttp180 -108.84 139.67 43.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.44 HD11 HG23 ' A' ' 813' ' ' ILE . 0.2 OUTLIER -88.08 155.53 19.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.966 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.433 ' HE2' ' HB2' ' A' ' 817' ' ' LYS . 95.8 m-85 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.268 -0.872 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.183 0 N-CA-C 112.412 -0.275 . . . . 0.0 112.412 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -65.42 -25.45 56.11 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.461 2.108 . . . . 0.0 112.186 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.73 -177.18 5.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -90.63 78.28 1.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.484 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 1.4 p -113.43 148.28 36.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.801 0.334 . . . . 0.0 110.976 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.2 mp -124.7 125.86 70.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.068 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.72 102.22 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.779 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . 0.46 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -93.21 108.68 20.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.141 -179.655 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.415 ' HB3' HG21 ' A' ' 780' ' ' ILE . 36.9 mtp85 -83.94 128.99 34.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.223 179.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 3.2 mt -119.84 95.65 3.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.832 0.348 . . . . 0.0 111.374 -179.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 853' ' ' LEU . 2.0 p -67.15 134.13 51.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.744 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . 0.464 ' HE1' HD13 ' A' ' 810' ' ' ILE . 88.9 t80 -141.92 109.71 5.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.785 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -113.81 132.58 55.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.017 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 36.2 m-80 -71.17 -63.94 1.01 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.004 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -105.98 -78.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.995 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.53 -68.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.755 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . 0.4 ' H ' ' H ' ' A' ' 774' ' ' ASN . 0.1 OUTLIER -168.49 -4.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.966 179.778 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . 0.4 ' H ' ' H ' ' A' ' 773' ' ' ASN . 10.1 t-20 -68.74 -28.71 67.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.928 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 1.3 t -136.38 146.04 46.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.265 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 4.7 m 57.16 -167.91 0.12 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 1.6 t -128.83 -173.82 3.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.027 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 99.1 p -79.8 130.74 35.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -107.81 98.01 7.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.023 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.491 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 10.5 mt -106.77 114.92 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.974 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.489 ' HB2' HD12 ' A' ' 766' ' ' ILE . 8.5 m-85 -83.06 156.33 23.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 46.9 p -125.19 113.8 18.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.58 134.51 54.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.032 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.5 81.85 8.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.52 HG13 ' CE3' ' A' ' 789' ' ' TRP . 14.9 t -66.27 140.76 19.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.275 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -99.52 146.16 26.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.994 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 68.0 mttt -69.83 -18.6 63.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 34.4 m -80.71 -2.4 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.52 ' CE3' HG13 ' A' ' 785' ' ' VAL . 13.7 m0 -82.84 -171.89 3.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.974 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.12 -168.09 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.79 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -70.94 -52.95 16.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.926 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -65.14 -39.43 93.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.177 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -67.22 -34.21 76.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.066 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.52 HD12 HG11 ' A' ' 785' ' ' VAL . 0.4 OUTLIER -69.15 -53.3 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.973 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.716 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.7 OUTLIER -59.73 -26.08 34.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.273 -179.75 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 2.3 mtt -71.95 -40.2 68.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.763 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.81 -34.44 77.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.05 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 795' ' ' ILE . 22.7 mt -66.03 -49.36 77.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -55.2 -36.61 66.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 1.1 t -68.09 -41.4 81.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -59.9 -29.33 68.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.961 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.486 ' CD1' HD11 ' A' ' 813' ' ' ILE . 22.7 mt -78.24 -36.23 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 5.3 t -76.33 83.95 3.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.699 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . 0.432 ' OD1' HG22 ' A' ' 805' ' ' THR . 21.6 p-10 -164.25 -32.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.175 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . 0.432 HG22 ' OD1' ' A' ' 804' ' ' ASN . 1.5 t -121.69 -48.26 2.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.464 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -67.43 156.56 36.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.96 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.64 34.12 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.126 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 54.04 62.25 2.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.87 18.01 14.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . 0.464 HD13 ' HE1' ' A' ' 768' ' ' TYR . 1.0 OUTLIER -135.77 148.88 27.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.48 151.22 78.23 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.67 -176.74 0.76 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.56 2.173 . . . . 0.0 112.177 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.486 HD11 ' CD1' ' A' ' 802' ' ' ILE . 0.8 OUTLIER -110.63 135.88 48.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.161 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.04 4.16 2.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.766 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -165.08 127.96 2.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.414 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 6.3 pt -125.71 143.67 38.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.035 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.456 ' O ' ' HA ' ' A' ' 851' ' ' ILE . 6.2 mttt -104.12 116.69 32.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.015 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.4 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 30.9 p90 -100.61 150.4 22.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -71.59 144.92 49.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 824' ' ' ASP . 0.7 OUTLIER -96.78 -166.98 1.48 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.968 -179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.44 -46.24 70.36 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -8.13 58.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.017 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 96.12 30.76 7.65 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.452 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 820' ' ' ASP . 0.3 OUTLIER -105.79 124.14 49.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.814 0.34 . . . . 0.0 110.922 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -67.67 124.62 23.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.763 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 817' ' ' LYS . 0.0 OUTLIER -124.07 153.96 30.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 -179.836 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.436 HG13 ' OH ' ' A' ' 854' ' ' TYR . 6.5 t -71.53 150.34 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.34 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.409 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -143.68 98.06 3.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.714 179.791 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -137.68 29.2 2.69 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.556 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 41.8 m -141.52 160.18 40.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.926 0.393 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.34 -40.33 89.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 836' ' ' VAL . 14.9 tt0 -66.02 -32.48 73.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.025 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.409 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.3 OUTLIER -60.74 -51.37 69.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 31.3 t-105 -61.75 -32.81 73.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.547 179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -63.05 -54.21 41.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.601 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 832' ' ' GLU . 26.8 t -60.8 -27.88 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.775 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.8 95.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.771 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -63.35 -37.86 88.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.397 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 60.1 mt-10 -68.2 -33.67 74.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.475 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 3.0 ttm -60.25 -53.12 61.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.798 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.752 HD21 HD13 ' A' ' 849' ' ' LEU . 3.5 mt -74.68 -12.57 60.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.875 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -74.39 -56.36 4.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.529 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -77.0 -19.69 56.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.301 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.9 m-80 -92.97 2.0 57.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.076 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.24 16.56 4.04 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.812 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.611 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 1.5 mm-40 -74.04 130.13 39.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.24 10.65 21.76 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.981 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -148.63 170.65 17.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.752 HD13 HD21 ' A' ' 841' ' ' LEU . 14.7 tp -162.67 141.54 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -96.15 129.7 43.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.141 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 5.7 mm -121.32 148.24 24.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.1 ttm-85 -115.01 139.77 49.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 767' ' ' SER . 0.2 OUTLIER -89.85 19.98 4.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.037 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.436 ' OH ' HG13 ' A' ' 827' ' ' VAL . 3.1 m-85 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.996 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.221 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -73.16 -24.49 16.94 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.588 2.192 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.31 -39.49 25.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.96 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 109.46 -84.15 0.35 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.591 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 59.64 -177.38 0.09 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.922 0.392 . . . . 0.0 111.107 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.3 mt -135.62 132.23 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.78 130.09 38.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.769 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . 0.454 ' CE2' HD11 ' A' ' 794' ' ' LEU . 0.1 OUTLIER -118.39 105.96 12.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.023 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -81.08 133.4 35.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.646 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . 0.487 HD12 ' HB2' ' A' ' 781' ' ' PHE . 3.4 mt -126.44 104.5 12.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.258 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 9.5 t -76.12 96.04 3.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -94.21 115.37 27.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.747 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -125.89 117.76 24.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.967 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -73.74 -57.19 4.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.954 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.73 -58.78 1.87 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.889 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 21.9 t -162.96 92.16 0.75 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.768 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 57.62 25.24 11.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 5.3 m120 54.38 -163.88 0.11 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 5.8 p -82.94 -14.78 53.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 22.8 t -157.65 88.23 0.98 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 14.5 m 63.67 159.5 0.09 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.273 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.14 156.24 39.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.7 85.82 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.439 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.8 mt -83.11 110.95 18.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.247 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.487 ' HB2' HD12 ' A' ' 766' ' ' ILE . 26.5 m-85 -84.68 148.76 26.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.832 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 76.7 p -117.91 119.76 35.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.981 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 2.5 mt -122.05 124.16 43.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.213 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.75 73.93 7.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.346 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.436 HG11 HD12 ' A' ' 794' ' ' LEU . 2.1 t -64.25 108.25 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.379 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.0 177.56 3.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.844 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 8.5 mttp -91.9 -23.29 19.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 20.7 m -80.77 11.69 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.427 ' CE3' HG13 ' A' ' 785' ' ' VAL . 8.7 m0 -91.99 -173.72 3.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.971 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 31.4 m120 -142.28 -167.83 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.419 179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -73.14 -53.28 11.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.339 . . . . 0.0 110.766 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -61.26 -33.7 73.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.051 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.84 -28.71 63.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.532 HD21 HD11 ' A' ' 816' ' ' ILE . 0.8 OUTLIER -71.12 -51.95 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 4.0 tp -63.84 -25.21 37.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.264 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 3.0 ttm -73.25 -37.64 66.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.27 -49.16 72.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.297 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . . . . . . . . . 7.9 mt -59.29 -45.72 92.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.366 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -55.39 -42.41 73.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 17.9 m -59.55 -39.41 83.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.717 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -39.02 79.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.719 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 25.2 mt -71.47 -40.12 71.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 7.0 t -67.27 -19.02 65.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -83.25 -60.55 2.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.791 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 2.9 t -119.5 136.81 54.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.887 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -164.68 -171.14 2.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.003 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -129.41 -11.9 4.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.796 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.08 7.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 55.05 68.74 0.82 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.987 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.3 pt -62.98 167.2 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.362 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 1.4 p -65.35 146.68 98.92 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.883 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -66.49 131.17 25.5 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.552 2.168 . . . . 0.0 112.203 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.587 HG22 ' H ' ' A' ' 815' ' ' LYS . 23.2 mm -98.99 135.33 34.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.094 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.9 29.22 7.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.894 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.587 ' H ' HG22 ' A' ' 813' ' ' ILE . 11.0 tttt -156.44 116.98 3.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.532 HD11 HD21 ' A' ' 794' ' ' LEU . 21.5 pt -131.92 159.21 43.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.529 ' NZ ' HG22 ' A' ' 827' ' ' VAL . 5.1 mttm -117.92 126.2 51.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -100.28 148.61 24.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.466 ' O ' HD11 ' A' ' 849' ' ' LEU . 17.1 tt0 -78.09 142.72 37.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.862 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -102.4 -170.81 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -68.87 -21.08 64.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.42 -30.21 37.66 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 109.73 6.69 28.4 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.549 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -103.56 152.58 21.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.792 0.329 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -85.09 120.84 27.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -109.75 152.33 11.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.831 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.529 HG22 ' NZ ' ' A' ' 817' ' ' LYS . 3.9 t -70.47 149.79 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.365 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.567 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.7 OUTLIER -137.61 87.12 2.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.691 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -131.13 34.71 2.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.632 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.91 153.79 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.729 0.299 . . . . 0.0 110.761 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -62.68 -34.43 77.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.527 ' O ' HG23 ' A' ' 836' ' ' VAL . 2.1 tt0 -66.88 -32.85 74.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.567 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -60.28 -51.25 70.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.71 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.458 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 36.4 t-105 -62.18 -30.83 71.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.441 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -65.23 -53.97 36.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.634 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 832' ' ' GLU . 23.0 t -60.78 -30.4 47.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.81 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.73 99.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.837 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 834' ' ' TRP . 6.8 mtmt -64.24 -39.08 93.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.506 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -72.15 -23.84 61.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.578 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.451 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.1 ttm -67.44 -44.57 78.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.637 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.502 HD21 HD13 ' A' ' 849' ' ' LEU . 1.6 mt -81.52 -16.06 52.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.729 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.85 -40.69 65.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.109 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.47 19.34 13.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.6 OUTLIER -136.7 -0.42 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 56.85 25.45 10.41 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -80.78 130.69 35.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.966 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.06 5.68 22.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.087 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 7.5 p90 -151.61 170.51 19.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.943 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.502 HD13 HD21 ' A' ' 841' ' ' LEU . 12.0 tp -156.98 135.56 11.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.033 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -85.12 117.85 24.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.748 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.488 HG21 HD12 ' A' ' 816' ' ' ILE . 3.6 mm -118.15 144.14 27.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.246 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -116.99 136.78 52.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.502 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.466 ' HG ' ' H ' ' A' ' 854' ' ' TYR . 17.6 tp -86.46 165.83 15.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.766 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.466 ' H ' ' HG ' ' A' ' 853' ' ' LEU . 94.3 m-85 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.19 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.52 -90.35 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.44 2.093 . . . . 0.0 112.288 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.12 -30.31 0.09 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.763 0.316 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -100.51 66.08 0.54 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.398 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . 0.404 ' HB2' ' HG ' ' A' ' 784' ' ' LEU . 33.2 p -96.59 173.58 7.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.772 0.32 . . . . 0.0 110.949 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 15.3 mt -128.82 136.76 59.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 7.9 tp -94.58 80.68 3.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.592 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -69.02 116.21 9.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.218 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 11.5 mtp85 -94.13 128.49 40.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.402 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . 0.561 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 3.3 mt -117.13 99.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-O 120.843 0.354 . . . . 0.0 111.431 -179.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 6.2 t -85.31 113.12 21.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.725 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -134.88 126.73 29.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.27 159.01 15.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.41 3.41 3.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.017 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -116.73 -20.33 9.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 57.26 -170.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 55.5 86.65 0.06 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 59.53 -170.11 0.14 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 6.5 t -85.15 155.08 21.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 1.8 t -161.55 -56.65 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 2.1 m -162.25 79.35 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.67 121.11 25.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.954 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -87.79 109.98 20.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.561 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 3.7 mt -104.91 114.43 44.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.027 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.499 ' HB2' HD12 ' A' ' 766' ' ' ILE . 8.1 m-85 -83.46 172.57 12.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 67.2 p -135.13 101.46 4.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.888 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . 0.421 HD21 ' HB1' ' A' ' 797' ' ' ALA . 0.2 OUTLIER -97.99 131.32 44.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.126 -179.686 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . 0.404 ' HG ' ' HB2' ' A' ' 761' ' ' SER . 4.2 tp -84.03 68.65 10.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.538 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.606 HG11 HD12 ' A' ' 794' ' ' LEU . 2.3 t -66.46 123.34 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.138 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.75 171.29 10.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . 0.651 ' HG2' ' HD2' ' A' ' 838' ' ' LYS . 60.3 mttt -87.04 -15.5 38.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.809 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 17.3 m -90.4 24.48 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.101 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.418 ' CE3' HG13 ' A' ' 785' ' ' VAL . 9.7 m0 -106.69 -173.7 2.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -134.7 178.3 7.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.748 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -64.9 -48.03 75.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.934 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.428 ' O ' HG22 ' A' ' 795' ' ' ILE . 3.9 p-10 -66.41 -45.36 80.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.89 -25.65 68.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.606 HD12 HG11 ' A' ' 785' ' ' VAL . 1.6 tt -71.34 -53.45 14.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.998 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.839 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.6 OUTLIER -62.18 -28.45 44.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.36 -179.661 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 1.4 mtm -68.92 -41.37 78.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.844 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . 0.421 ' HB1' HD21 ' A' ' 783' ' ' LEU . . . -64.1 -39.26 93.65 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 795' ' ' ILE . 11.8 mt -61.53 -39.57 83.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.011 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -47.94 83.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.687 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 60.0 m -67.2 -20.67 65.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.422 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 798' ' ' ILE . 13.7 tppt? -73.57 -31.51 63.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.645 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 798' ' ' ILE . 11.6 mt -78.97 -32.35 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.032 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . 0.548 ' O ' HG22 ' A' ' 805' ' ' THR . 16.6 t -81.26 172.42 13.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.794 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 58.85 24.08 12.03 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.876 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 803' ' ' SER . 5.0 t -165.48 -38.8 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.045 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -122.44 177.2 5.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.726 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -70.17 145.72 51.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -99.88 9.82 42.33 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -86.74 -6.18 58.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.032 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . 0.404 HD11 HG21 ' A' ' 802' ' ' ILE . 1.1 pt -75.49 160.56 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.328 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 35.2 t -65.13 144.82 99.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.804 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.7 -179.5 2.06 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.507 2.138 . . . . 0.0 112.336 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.416 HD11 HD12 ' A' ' 802' ' ' ILE . 0.2 OUTLIER -123.48 132.98 70.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.193 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 1.2 m -133.6 -24.51 1.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.826 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -136.54 141.34 43.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.77 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 1.4 pt -139.61 142.13 33.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.241 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.519 ' O ' ' HA ' ' A' ' 851' ' ' ILE . 52.1 mttt -99.88 123.34 44.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.522 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.43 ' HB2' ' CD2' ' A' ' 849' ' ' LEU . 35.5 p90 -107.37 147.15 30.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.944 0.402 . . . . 0.0 111.123 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -71.39 126.86 30.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.99 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -89.43 177.46 6.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -30.27 70.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.48 -12.54 60.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 89.32 24.59 30.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.425 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.18 139.02 54.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 0.0 111.013 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -68.73 127.25 32.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.588 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -120.95 149.66 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 12.2 t -73.84 144.06 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.303 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.5 OUTLIER -137.27 101.47 4.54 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.722 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -137.89 34.65 2.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.538 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.8 161.17 42.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.342 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.36 -43.66 85.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.709 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.451 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.0 OUTLIER -62.69 -35.2 78.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.74 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.561 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -59.53 -35.37 74.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.449 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -72.93 -35.75 67.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.437 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -63.39 -41.61 98.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.545 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 832' ' ' GLU . 43.5 t -65.82 -36.3 77.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.727 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.74 -40.26 87.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.802 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.651 ' HD2' ' HG2' ' A' ' 787' ' ' LYS . 26.3 mtmt -67.56 -42.43 82.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.457 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.72 -18.56 63.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.471 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.8 ttm -74.55 -45.12 47.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.582 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.761 HD21 HD13 ' A' ' 849' ' ' LEU . 6.5 mt -81.36 -15.33 55.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.561 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -68.04 -55.61 11.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -73.32 -36.73 66.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 44.9 m-20 -73.98 -4.5 35.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 56.05 26.26 9.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.722 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.53 178.84 2.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.039 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -155.11 12.39 0.36 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -160.72 179.05 8.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.761 HD13 HD21 ' A' ' 841' ' ' LEU . 9.9 tp -166.05 155.29 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.417 ' O ' HD13 ' A' ' 851' ' ' ILE . 3.7 t-20 -107.49 135.04 49.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.717 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.519 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 22.2 mm -122.91 138.61 52.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.386 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 852' ' ' ARG . 0.9 OUTLIER -112.94 138.75 49.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.509 179.68 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.6 158.49 28.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.038 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.494 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.5 m-85 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.888 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -68.59 -58.08 0.13 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.527 2.151 . . . . 0.0 112.368 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.88 176.79 8.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.737 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -86.43 53.93 4.62 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.663 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 4.1 m -69.26 169.34 12.37 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.824 0.345 . . . . 0.0 110.74 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.6 132.49 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.086 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 848' ' ' PHE . 0.7 OUTLIER -79.16 112.41 16.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.886 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . 0.473 ' O ' ' HA ' ' A' ' 782' ' ' THR . 0.1 OUTLIER -96.67 127.67 42.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.979 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -102.13 125.53 48.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.593 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . 0.641 HD11 HD23 ' A' ' 783' ' ' LEU . 1.0 OUTLIER -122.02 98.32 5.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.801 0.334 . . . . 0.0 111.317 -179.726 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.87 91.78 1.2 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . 0.486 ' HE1' HD13 ' A' ' 810' ' ' ILE . 78.0 t80 -76.58 135.14 39.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -131.62 122.71 26.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.819 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -70.27 -64.33 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.768 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -102.66 -77.14 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.858 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 5.5 t -166.14 79.0 0.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -102.9 170.25 8.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -81.0 -172.45 3.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 2.5 t -78.38 -18.07 55.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 4.8 p -108.88 17.89 21.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.977 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 3.2 m -140.58 27.93 2.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.66 -176.13 2.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.881 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -115.61 89.61 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.767 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 13.4 mt -82.02 127.23 39.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.339 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.463 ' HE2' HG12 ' A' ' 802' ' ' ILE . 9.1 m-85 -103.98 142.88 33.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.618 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' ' 764' ' ' PHE . 62.1 p -119.77 110.18 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . 0.641 HD23 HD11 ' A' ' 766' ' ' ILE . 0.8 OUTLIER -119.95 154.76 33.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.013 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 1.9 mp -85.56 102.06 13.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.023 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.432 ' CG2' ' HB2' ' A' ' 764' ' ' PHE . 6.4 t -88.6 117.66 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.044 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -68.97 165.63 19.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -92.82 -21.31 19.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.793 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 28.0 m -83.3 2.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.407 ' CE3' HG13 ' A' ' 785' ' ' VAL . 21.2 m0 -78.25 -165.7 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.121 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -146.03 -164.59 2.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.435 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . 0.401 ' CZ ' ' HA2' ' A' ' 829' ' ' GLY . 42.0 t80 -76.06 -48.08 22.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.785 0.326 . . . . 0.0 110.646 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.402 ' O ' HG22 ' A' ' 795' ' ' ILE . 9.4 t70 -66.13 -41.21 90.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.62 -28.02 67.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.695 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 2.4 tt -70.62 -53.66 15.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.684 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.605 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -61.97 -25.46 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.01 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -37.55 63.99 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.37 97.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 795' ' ' ILE . 5.3 mt -68.51 -34.27 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.755 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.77 -53.23 58.73 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.745 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.83 -24.92 67.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.625 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -59.67 4.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.562 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.463 HG12 ' HE2' ' A' ' 781' ' ' PHE . 46.5 mt -58.92 -30.73 43.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.976 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 48.4 t -71.75 -29.95 65.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.1 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.28 -38.49 80.27 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.78 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 9.8 t -94.99 177.29 5.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 59.66 -163.61 0.23 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.85 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.28 18.97 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.008 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -124.81 139.57 53.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -79.78 79.57 6.27 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.688 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . 0.486 HD13 ' HE1' ' A' ' 768' ' ' TYR . 1.1 pt -62.51 168.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.98 136.12 94.25 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.804 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.13 175.83 4.44 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.497 2.132 . . . . 0.0 112.12 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.809 HG12 HD11 ' A' ' 853' ' ' LEU . 1.8 mp -112.8 145.9 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.256 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.25 9.16 1.43 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.788 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -163.13 123.54 2.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.728 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 4.4 pt -138.63 137.13 43.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.098 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.454 ' HB2' ' HE1' ' A' ' 854' ' ' TYR . 0.6 OUTLIER -101.59 119.83 39.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.005 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.42 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 22.2 p90 -103.68 146.94 27.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.021 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -77.59 139.79 39.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -102.29 -168.66 1.56 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.02 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -19.71 63.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.063 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . 0.459 ' HB3' ' OD2' ' A' ' 824' ' ' ASP . 0.1 OUTLIER -88.57 -3.86 58.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.008 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 83.09 -7.34 67.36 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.569 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . 0.459 ' OD2' ' HB3' ' A' ' 822' ' ' ASP . 0.2 OUTLIER -86.75 136.9 32.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.331 . . . . 0.0 110.913 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -73.53 125.17 27.35 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.86 157.53 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.007 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 2.7 t -76.79 155.28 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.127 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.614 HD12 ' HB3' ' A' ' 833' ' ' ASP . 7.5 tp -141.6 107.72 5.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.805 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . 0.401 ' HA2' ' CZ ' ' A' ' 791' ' ' PHE . . . -157.13 43.18 0.52 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.635 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 1.1 m -160.28 154.03 22.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.764 0.316 . . . . 0.0 110.971 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -35.43 80.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.471 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.0 OUTLIER -70.49 -38.29 74.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.795 179.861 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.614 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -57.24 -39.82 76.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.837 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -69.69 -37.38 76.59 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.573 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -60.53 -42.92 97.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.676 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 832' ' ' GLU . 21.8 t -68.81 -30.37 46.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.796 179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.415 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -62.41 -42.73 99.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.783 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 5.9 mtmt -64.53 -43.6 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.547 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.46 ' OE1' ' HA ' ' A' ' 836' ' ' VAL . 33.7 mt-10 -64.06 -27.91 69.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.595 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.3 ttm -66.78 -42.74 85.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.683 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.614 HD21 HD13 ' A' ' 849' ' ' LEU . 2.9 mt -83.43 -16.62 45.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.725 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.96 -36.39 41.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.227 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -93.31 -1.76 55.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -123.84 0.05 8.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 6.8 m120 56.87 22.45 7.09 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.534 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 3.2 mt-10 -68.39 127.01 31.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.016 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -110.89 15.18 21.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.898 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' A' ' 763' ' ' LEU . 21.5 p90 -154.79 156.82 36.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.614 HD13 HD21 ' A' ' 841' ' ' LEU . 9.0 tp -148.43 124.8 10.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.943 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -83.24 117.03 22.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . . . . . . . . . 2.6 mm -117.02 141.85 33.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.234 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.65 134.47 54.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.395 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.809 HD11 HG12 ' A' ' 813' ' ' ILE . 16.6 tp -84.83 163.84 18.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.936 0.398 . . . . 0.0 111.069 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.454 ' HE1' ' HB2' ' A' ' 817' ' ' LYS . 89.7 m-85 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.296 -0.859 . . . . 0.0 111.151 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.83 -4.23 13.65 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.611 2.207 . . . . 0.0 112.349 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -68.09 165.84 17.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.938 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -81.72 89.96 1.43 Allowed Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.457 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . 0.547 ' HB2' HD23 ' A' ' 784' ' ' LEU . 0.3 OUTLIER -142.51 143.95 32.76 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.756 0.312 . . . . 0.0 110.878 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 7.2 mt -113.95 123.63 69.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.132 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.711 HD21 HG22 ' A' ' 782' ' ' THR . 2.4 tt -71.03 122.32 19.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.767 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.0 109.36 18.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 64.2 mtt180 -86.25 129.86 34.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.638 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . 0.435 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 2.0 mp -125.02 106.07 15.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.307 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 10.0 p -71.45 98.52 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . 0.617 ' HB3' ' HB2' ' A' ' 779' ' ' GLU . 88.7 t80 -84.2 130.48 34.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -127.66 148.94 50.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.82 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -71.49 -58.21 3.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -106.68 -65.1 1.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 6.7 t -166.53 -65.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -161.21 23.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.988 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -64.07 -37.99 89.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 14.7 t -129.46 176.43 7.98 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 80.2 p -100.28 -161.42 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.964 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 17.8 t 58.42 88.49 0.06 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.111 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.49 170.95 8.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.791 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . 0.617 ' HB2' ' HB3' ' A' ' 768' ' ' TYR . 3.7 mm-40 -112.49 83.4 1.8 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.917 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 30.2 mt -75.92 115.75 17.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.021 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.545 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 30.7 m-85 -88.58 153.05 21.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.043 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . 0.711 HG22 HD21 ' A' ' 763' ' ' LEU . 33.5 p -124.29 83.46 2.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . 0.574 ' HB2' ' HE3' ' A' ' 801' ' ' LYS . 6.5 tp -97.78 116.0 29.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . 0.547 HD23 ' HB2' ' A' ' 761' ' ' SER . 4.7 mp -74.36 84.01 1.94 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.76 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.883 HG11 HD12 ' A' ' 794' ' ' LEU . 2.8 t -72.11 115.48 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.004 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -68.66 166.15 17.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.971 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -83.35 -26.63 30.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 18.2 m -74.97 3.7 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -87.88 -170.89 3.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.107 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -138.83 -168.1 2.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.511 179.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -74.08 -56.25 5.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.818 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -59.44 -38.68 81.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.52 -30.66 71.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.783 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.883 HD12 HG11 ' A' ' 785' ' ' VAL . 1.7 tt -68.8 -57.55 5.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.793 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.46 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.4 OUTLIER -59.88 -20.55 19.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.415 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 4.6 ttm -72.48 -48.69 38.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.101 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.85 84.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.41 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 795' ' ' ILE . 11.1 mt -57.96 -48.52 83.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.289 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -59.85 -29.89 68.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.42 -27.89 60.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.574 ' HE3' ' HB2' ' A' ' 783' ' ' LEU . 0.2 OUTLIER -74.74 -27.46 60.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.041 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.591 HD12 HD11 ' A' ' 813' ' ' ILE . 9.6 mt -82.9 -37.88 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.431 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 90.4 p -84.99 32.24 0.54 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -139.55 5.16 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -135.65 -39.88 0.71 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.376 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -107.02 149.84 27.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.982 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -107.1 -15.33 14.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.765 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -78.21 130.47 36.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.639 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -87.62 83.93 7.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.065 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -81.63 -171.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.041 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.44 114.92 13.38 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.864 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.22 171.75 0.51 Allowed 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.675 2.25 . . . . 0.0 112.546 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.591 HD11 HD12 ' A' ' 802' ' ' ILE . 1.3 mp -84.55 -91.34 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.282 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.42 10.91 2.01 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.492 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.507 ' H ' HG22 ' A' ' 813' ' ' ILE . 0.3 OUTLIER -174.32 130.7 0.37 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.97 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.406 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 6.8 pt -146.49 144.06 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.975 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.588 ' HE2' HG22 ' A' ' 827' ' ' VAL . 10.0 mttt -108.19 122.51 47.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.373 . . . . 0.0 111.133 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.425 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 30.9 p90 -100.21 143.3 30.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.058 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -68.52 123.28 20.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -85.58 -169.93 2.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.967 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -72.76 -33.09 66.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -78.31 2.72 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.2 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 79.41 1.3 85.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.44 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -95.42 128.68 42.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.8 0.333 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.53 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 82.8 m-85 -67.6 126.27 28.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.619 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.36 149.64 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.588 HG22 ' HE2' ' A' ' 817' ' ' LYS . 8.9 t -70.91 146.98 11.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.412 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.565 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.7 OUTLIER -134.28 95.25 3.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.685 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.76 31.23 2.41 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.546 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.97 156.92 42.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.95 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.08 -43.6 98.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.932 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -60.41 -34.97 74.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.565 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -60.8 -37.99 83.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.427 179.819 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 59.3 t-105 -71.37 -32.55 68.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.368 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -63.59 -44.16 94.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.779 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 46.2 t -69.61 -30.66 45.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -62.71 -44.9 95.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 29.4 mtmt -65.8 -48.07 72.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.646 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.61 -26.41 68.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.544 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.7 ttm -63.07 -59.93 4.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.752 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.658 HD21 HD13 ' A' ' 849' ' ' LEU . 4.5 mt -67.0 -12.79 60.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.59 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.41 -46.31 55.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.127 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -82.58 -13.95 55.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -103.61 -4.32 24.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.991 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 11.1 m120 54.8 32.02 16.75 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.616 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.54 176.05 5.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.076 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.06 2.54 0.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.173 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -153.29 169.24 23.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.658 HD13 HD21 ' A' ' 841' ' ' LEU . 10.9 tp -154.92 136.02 13.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -90.43 113.95 25.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.406 ' CG2' ' HB ' ' A' ' 816' ' ' ILE . 3.1 mm -114.26 134.43 57.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.174 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -106.13 137.91 43.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.526 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.476 ' HG ' ' N ' ' A' ' 854' ' ' TYR . 20.5 tp -86.34 164.47 17.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.815 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.476 ' N ' ' HG ' ' A' ' 853' ' ' LEU . 88.7 m-85 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.185 -0.912 . . . . 0.0 111.005 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.59 -0.204 . . . . 0.0 112.59 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.57 -18.95 48.85 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.592 2.195 . . . . 0.0 112.299 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 5.9 mp -74.48 88.87 2.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.805 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 78.58 78.31 0.83 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.409 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.87 178.04 7.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.858 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.92 143.33 41.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.19 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.98 104.51 16.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.744 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . 0.476 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -95.33 117.41 30.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -93.74 126.13 38.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.544 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . 0.63 HD13 HG23 ' A' ' 798' ' ' ILE . 6.0 mt -120.02 97.66 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.331 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.15 104.14 7.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.065 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . 0.447 ' OH ' ' HB3' ' A' ' 811' ' ' SER . 0.2 OUTLIER -110.39 115.95 30.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.687 179.707 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -116.05 37.06 3.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.119 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . 0.4 ' HB3' ' H ' ' A' ' 771' ' ' ASN . 64.2 t30 57.16 -91.98 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.222 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . 0.4 ' H ' ' HB3' ' A' ' 770' ' ' ASN . 1.2 t-20 -94.11 -76.83 0.47 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 2.2 t -164.45 89.76 0.54 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 1.2 m120 55.3 78.73 0.17 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -97.34 -166.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.791 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 3.9 t -67.78 -17.58 64.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.218 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.65 178.15 7.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.852 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 34.2 t -98.05 162.64 13.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.57 107.37 3.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.767 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.65 82.83 1.56 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 12.8 mt -79.62 108.26 12.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -82.85 134.61 35.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 78.3 p -109.15 85.96 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.059 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . 0.536 ' HB2' ' HE3' ' A' ' 801' ' ' LYS . 6.5 tp -98.05 122.92 41.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.975 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.09 83.13 2.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.753 179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.771 HG11 HD12 ' A' ' 794' ' ' LEU . 12.8 t -68.61 117.27 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.17 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -67.99 152.29 45.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.759 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.93 -13.92 59.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 26.6 m -94.11 18.58 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.513 ' CE3' HG13 ' A' ' 785' ' ' VAL . 15.2 m0 -98.83 177.71 5.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -126.89 -179.4 4.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.686 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -61.38 -57.23 13.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -41.69 93.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.039 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -65.72 -23.02 66.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.771 HD12 HG11 ' A' ' 785' ' ' VAL . 0.8 OUTLIER -76.13 -51.08 12.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.956 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.619 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -66.37 -27.68 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.217 -179.747 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 3.9 mtm -72.1 -39.62 68.78 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.07 97.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.63 HG23 HD13 ' A' ' 766' ' ' ILE . 27.2 mt -59.96 -53.02 54.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.214 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -59.66 -29.32 67.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.769 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.89 -29.62 64.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.625 179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.536 ' HE3' ' HB2' ' A' ' 783' ' ' LEU . 0.4 OUTLIER -70.49 -37.11 74.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.065 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 18.1 mt -71.99 -46.86 57.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.262 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.98 -11.64 57.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.185 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -82.47 1.4 37.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . 0.485 HG23 ' H ' ' A' ' 806' ' ' HIS . 0.1 OUTLIER -156.16 -65.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.21 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.485 ' H ' HG23 ' A' ' 805' ' ' THR . 0.2 OUTLIER -72.48 -171.02 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.959 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -95.25 -168.67 1.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -120.7 29.25 7.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.011 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -92.3 2.81 56.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.2 pt -96.14 -170.52 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.074 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.447 ' HB3' ' OH ' ' A' ' 768' ' ' TYR . 12.4 t -75.73 135.61 71.24 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -74.05 0.36 8.49 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.586 2.19 . . . . 0.0 112.396 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.748 HG12 HD21 ' A' ' 853' ' ' LEU . 2.0 mp 60.05 98.82 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.194 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.54 -14.88 16.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -159.25 147.24 17.63 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.99 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.435 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 5.6 pt -141.62 141.27 30.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.422 ' HG2' ' HA ' ' A' ' 827' ' ' VAL . 7.2 mttt -100.62 123.86 45.41 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.148 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.478 ' HD1' ' HB2' ' A' ' 828' ' ' LEU . 34.8 p90 -102.54 148.01 26.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.572 ' O ' HD11 ' A' ' 849' ' ' LEU . 4.0 tt0 -73.8 128.01 34.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.759 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -77.37 -168.63 1.18 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.747 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.42 -0.28 49.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -117.96 9.2 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 78.24 10.77 85.96 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.461 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.52 117.61 34.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 110.966 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -61.73 132.93 54.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.03 152.38 36.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.422 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 7.0 t -70.63 145.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.271 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.478 ' HB2' ' HD1' ' A' ' 818' ' ' TYR . 4.0 tp -132.49 96.09 3.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.749 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -141.12 19.05 2.69 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.557 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . 0.411 ' HB2' ' OD1' ' A' ' 833' ' ' ASP . 14.7 m -134.63 153.44 51.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.807 0.336 . . . . 0.0 110.803 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.58 -42.63 91.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.028 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.66 -30.91 71.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.806 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.452 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.9 OUTLIER -63.43 -45.02 92.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.819 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.423 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 34.2 t-105 -65.0 -35.74 82.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.708 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.508 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 2.2 m-80 -61.81 -52.86 62.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.655 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 86.1 t -61.41 -34.78 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.02 -40.0 83.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.969 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.508 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 3.4 mtmt -65.03 -45.49 85.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.706 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -62.16 -23.55 66.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.724 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 3.0 ttm -69.08 -55.07 11.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.712 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.696 HD21 HD13 ' A' ' 849' ' ' LEU . 2.8 mt -75.44 -9.34 58.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.051 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.36 -49.62 13.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.281 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -85.65 1.49 49.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.13 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.5 OUTLIER -117.89 -7.61 10.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.086 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 7.3 m120 54.96 29.29 11.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.739 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 -52.24 65.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.122 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 61.34 17.05 7.93 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.367 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -165.46 161.12 18.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.683 179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.696 HD13 HD21 ' A' ' 841' ' ' LEU . 9.7 tp -161.24 140.44 10.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.39 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -90.12 120.43 31.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.708 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.443 HG13 ' CD2' ' A' ' 764' ' ' PHE . 4.2 mm -116.97 142.69 29.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.34 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -108.79 135.22 50.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.757 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.748 HD21 HG12 ' A' ' 813' ' ' ILE . 0.2 OUTLIER -89.26 140.65 29.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.838 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.513 ' N ' HD13 ' A' ' 853' ' ' LEU . 91.4 m-85 . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.074 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -68.99 -47.55 1.13 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.514 2.143 . . . . 0.0 112.179 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.42 -65.47 1.0 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 161.6 90.84 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.593 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -70.47 151.86 44.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.81 0.338 . . . . 0.0 110.911 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . 0.516 HG21 HD13 ' A' ' 841' ' ' LEU . 2.0 mp -122.11 131.92 72.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.489 HD11 ' HB ' ' A' ' 782' ' ' THR . 0.6 OUTLIER -76.77 106.85 8.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.808 179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -91.93 126.6 37.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.543 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 3.7 mtt85 -102.37 133.35 47.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.627 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . 0.668 HD12 ' HB2' ' A' ' 781' ' ' PHE . 4.2 mt -124.17 97.31 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 111.239 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 32.6 p -78.22 79.9 4.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.091 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -69.23 134.14 48.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.709 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -129.68 172.74 11.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.745 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -120.86 -53.91 2.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.037 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -150.26 43.1 0.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.75 27.29 12.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.039 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -157.16 -40.63 0.07 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 60.86 175.23 0.1 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.166 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 7.0 t -102.02 -11.2 19.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.73 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 5.1 t -158.75 59.7 0.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.729 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.09 174.52 0.13 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.107 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.13 162.14 21.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -126.56 113.08 16.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.486 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.2 mt -103.97 122.04 56.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.01 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.699 ' HB3' ' HD2' ' A' ' 801' ' ' LYS . 19.6 m-85 -85.57 159.33 19.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.927 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . 0.489 ' HB ' HD11 ' A' ' 763' ' ' LEU . 66.6 p -138.66 94.5 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . 0.653 ' HB3' ' HE3' ' A' ' 801' ' ' LYS . 0.3 OUTLIER -117.81 151.45 37.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 -179.754 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 3.0 mp -86.76 123.94 32.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.652 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . . . . . . . . . 3.1 t -108.13 118.52 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -71.6 163.73 27.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -85.83 -23.74 27.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 16.4 m -79.21 7.64 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.988 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 8.7 m0 -82.85 -166.19 1.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.158 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -148.6 -171.74 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.536 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -70.5 -47.34 60.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.816 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.41 ' O ' HG22 ' A' ' 795' ' ' ILE . 3.7 t0 -67.65 -41.06 84.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -65.71 -30.76 71.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.939 0.4 . . . . 0.0 110.615 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.63 -55.64 10.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.836 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.793 ' HA ' HD12 ' A' ' 798' ' ' ILE . 1.5 tp -60.21 -23.21 26.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -51.75 49.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.656 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -59.03 -36.17 74.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.688 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.793 HD12 ' HA ' ' A' ' 795' ' ' ILE . 25.1 mt -66.44 -38.84 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.915 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.41 -45.19 95.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.793 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 2.2 t -62.16 -31.19 71.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.781 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.699 ' HD2' ' HB3' ' A' ' 781' ' ' PHE . 4.7 mmtt -66.37 -36.96 84.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.834 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.524 HG21 HD11 ' A' ' 810' ' ' ILE . 10.6 mt -73.07 -27.93 25.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 10.3 t -95.35 25.72 4.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -115.36 -47.99 2.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.773 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 4.8 t -82.99 -33.46 26.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -98.29 119.75 37.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.801 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -65.13 -14.96 61.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -94.27 177.37 5.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 5.7 m-20 -123.03 98.58 5.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . 0.524 HD11 HG21 ' A' ' 802' ' ' ILE . 2.8 pt -73.78 175.14 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.84 142.24 97.31 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.958 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.94 124.97 16.43 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.65 2.233 . . . . 0.0 112.334 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.512 HG13 HD11 ' A' ' 853' ' ' LEU . 26.6 mm -97.38 128.89 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.977 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.49 21.58 2.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.35 108.8 4.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.957 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.469 HD12 HG21 ' A' ' 851' ' ' ILE . 5.9 pt -128.53 153.05 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.019 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.481 ' NZ ' HG22 ' A' ' 827' ' ' VAL . 13.2 mttp -111.6 119.8 39.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.21 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.514 ' HB2' HD21 ' A' ' 849' ' ' LEU . 31.8 p90 -97.02 144.7 26.66 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.411 ' O ' HD11 ' A' ' 849' ' ' LEU . 9.8 tt0 -76.75 109.19 10.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.04 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.12 171.57 8.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.765 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.486 ' HB3' ' HG2' ' A' ' 840' ' ' MET . 2.0 pt-20 -67.43 -12.65 60.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.978 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -85.15 0.92 50.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 73.96 28.69 64.16 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.348 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -134.34 134.45 41.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.892 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -69.18 126.34 29.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -119.85 152.82 22.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.964 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.481 HG22 ' NZ ' ' A' ' 817' ' ' LYS . 2.7 t -72.28 142.97 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.234 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.493 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.4 OUTLIER -137.72 95.04 2.98 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -135.57 17.06 4.01 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.479 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 14.2 m -130.1 166.94 19.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.763 0.316 . . . . 0.0 110.965 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -70.23 -47.08 62.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -62.39 -28.18 69.6 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.747 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.493 ' HB3' HD12 ' A' ' 828' ' ' LEU . 1.0 OUTLIER -63.66 -38.88 92.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.614 179.81 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 29.9 t-105 -72.4 -34.29 67.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.608 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -62.83 -48.44 79.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.652 179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . . . . . . . . . 60.2 t -63.11 -33.36 60.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.857 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.63 -42.59 88.62 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.783 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt -63.97 -42.69 97.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.558 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.06 -29.66 70.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.492 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.486 ' HG2' ' HB3' ' A' ' 821' ' ' GLU . 2.6 tmm? -64.09 -43.78 94.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.422 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.65 HD21 HD13 ' A' ' 849' ' ' LEU . 6.4 mt -74.47 -20.9 59.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.505 179.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -71.02 160.29 33.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.829 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 62.07 9.43 3.1 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.014 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -140.29 -3.13 1.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 56.47 26.97 11.49 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 23.9 mt-10 -67.81 98.95 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.633 179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.27 29.01 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.038 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -159.79 160.61 34.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.65 HD13 HD21 ' A' ' 841' ' ' LEU . 13.9 tp -157.88 146.6 19.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -104.15 118.41 36.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.469 HG21 HD12 ' A' ' 816' ' ' ILE . 3.2 mm -118.2 138.46 48.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.085 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.414 ' HB3' ' CE1' ' A' ' 854' ' ' TYR . 0.1 OUTLIER -104.57 139.55 39.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.651 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.566 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -90.37 144.4 25.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.851 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.566 ' H ' HD13 ' A' ' 853' ' ' LEU . 87.0 m-85 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.158 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -67.21 -54.95 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.636 2.224 . . . . 0.0 112.282 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 58.17 -167.41 0.14 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.991 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -86.77 53.53 4.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.428 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 31.2 m -114.84 -173.55 2.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.708 0.289 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 10.6 mt -132.01 126.72 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.43 119.76 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.591 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . 0.444 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -107.44 110.46 22.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.142 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 765' ' ' ARG . 23.3 mtt-85 -90.87 125.23 35.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.554 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . 0.587 HD13 HG23 ' A' ' 798' ' ' ILE . 3.0 mt -120.96 95.06 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.268 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.89 96.06 2.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.704 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . 0.482 ' OH ' ' HB ' ' A' ' 810' ' ' ILE . 29.8 t80 -80.97 116.78 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -128.37 -26.87 2.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.471 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 9.4 t30 56.92 17.27 3.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.312 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -171.69 -164.56 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.928 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.79 98.4 2.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.744 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.68 56.78 4.64 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.994 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -134.17 -24.02 1.67 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -151.26 -177.16 5.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.082 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 3.1 m -112.32 90.01 3.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.754 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.8 125.38 3.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.957 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.01 102.31 2.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -111.97 93.39 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.021 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.455 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 30.4 mt -79.96 104.43 8.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -82.92 140.11 33.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.996 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 75.8 p -111.99 103.92 12.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.971 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . 0.583 ' HG ' ' HE3' ' A' ' 801' ' ' LYS . 1.0 OUTLIER -111.9 125.67 54.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.054 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.73 78.8 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.634 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.754 HG11 HD12 ' A' ' 794' ' ' LEU . 3.6 t -67.81 115.05 5.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.229 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.75 169.08 18.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 27.3 mttt -87.43 -12.49 45.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 16.9 m -87.65 -3.06 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.522 ' HE3' HG13 ' A' ' 785' ' ' VAL . 14.8 m0 -81.37 -177.96 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.055 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -131.16 -165.71 1.6 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.733 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -75.05 -56.89 4.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.014 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.7 -37.86 85.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.991 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.34 -31.24 72.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.791 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.754 HD12 HG11 ' A' ' 785' ' ' VAL . 1.1 tt -71.01 -56.12 6.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.602 HD11 HG22 ' A' ' 813' ' ' ILE . 0.8 OUTLIER -58.94 -29.39 40.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.363 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 14.5 ttm -76.97 -30.98 56.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.15 79.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.037 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.587 HG23 HD13 ' A' ' 766' ' ' ILE . 6.5 mt -72.21 -53.06 20.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.2 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -53.71 -43.68 69.2 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.968 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 15.6 t -66.92 -34.71 78.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.709 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.583 ' HE3' ' HG ' ' A' ' 783' ' ' LEU . 0.0 OUTLIER -63.13 -28.69 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.801 179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 798' ' ' ILE . 22.6 mt -80.79 -31.89 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.148 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 31.4 t -80.66 7.92 9.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.006 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -90.19 -66.18 0.95 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.808 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 5.2 t -86.24 -16.33 38.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.079 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.84 -170.44 2.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -97.04 165.84 11.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.948 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -96.92 33.84 1.82 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.959 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -99.03 18.32 17.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.865 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . 0.482 ' HB ' ' OH ' ' A' ' 768' ' ' TYR . 1.1 pt -110.08 -168.66 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.256 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.445 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 2.8 m -64.53 117.5 38.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.018 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 21.9 Cg_exo -65.27 -3.04 6.72 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.678 2.252 . . . . 0.0 112.363 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.602 HG22 HD11 ' A' ' 795' ' ' ILE . 3.3 mt 63.05 107.54 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.288 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.54 -10.03 10.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.174 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -157.75 137.74 12.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.119 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 22.1 pt -141.59 148.53 20.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.863 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.447 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 11.8 mttt -114.04 131.29 56.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.009 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.426 ' HB2' ' CD2' ' A' ' 849' ' ' LEU . 35.5 p90 -107.36 152.19 24.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.093 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.42 ' O ' HD11 ' A' ' 849' ' ' LEU . 4.4 tt0 -72.7 122.82 22.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -82.85 -165.84 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -70.87 -37.61 73.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -77.32 -2.49 35.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 87.04 -4.19 86.49 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.646 -0.787 . . . . 0.0 112.527 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.44 136.57 33.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.844 0.354 . . . . 0.0 110.748 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.447 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 59.5 m-85 -71.02 124.05 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.806 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.38 157.78 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.103 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.433 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 2.8 t -69.47 149.38 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.231 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.865 HD12 ' HB3' ' A' ' 833' ' ' ASP . 3.8 tp -139.13 88.38 2.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.721 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -137.24 47.24 0.96 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.558 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 24.5 p -165.95 157.74 14.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.834 0.349 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -64.03 -41.5 97.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.459 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.8 tp10 -63.84 -34.88 78.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.865 ' HB3' HD12 ' A' ' 828' ' ' LEU . 1.1 m-20 -59.69 -38.74 82.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.739 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.464 ' O ' ' HG3' ' A' ' 838' ' ' LYS . 30.1 t-105 -70.42 -34.85 72.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.503 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . 0.518 ' HA ' ' HE3' ' A' ' 838' ' ' LYS . 35.6 m-20 -62.55 -47.95 81.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.795 179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 832' ' ' GLU . 19.6 t -65.07 -28.94 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.955 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 840' ' ' MET . . . -62.8 -50.83 69.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.986 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.518 ' HE3' ' HA ' ' A' ' 835' ' ' ASN . 2.0 mtmp? -63.4 -47.18 83.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.717 179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.01 -26.48 67.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.627 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.404 ' HB3' ' O ' ' A' ' 837' ' ' ALA . 42.5 ttp -66.08 -49.07 68.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.6 179.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.733 HD21 HD13 ' A' ' 849' ' ' LEU . 3.9 mt -71.25 -14.47 62.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.554 179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -76.69 -50.1 14.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.358 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -78.09 -10.14 59.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.31 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -107.69 2.18 23.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.064 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 56.61 22.67 6.92 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.976 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.484 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 10.1 mm-40 -67.71 -174.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.032 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.64 -29.31 0.24 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -130.67 -172.54 2.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.733 HD13 HD21 ' A' ' 841' ' ' LEU . 11.9 tp -164.1 148.78 10.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.794 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.426 ' O ' HD13 ' A' ' 851' ' ' ILE . 54.4 m-80 -98.21 128.11 44.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.953 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 850' ' ' ASN . 4.1 mm -125.63 137.26 58.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.195 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.47 141.53 47.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.56 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.5 ' HG ' ' N ' ' A' ' 854' ' ' TYR . 19.9 tp -88.57 163.75 15.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.5 ' N ' ' HG ' ' A' ' 853' ' ' LEU . 89.9 m-85 . . . . . 0 C--O 1.248 0.996 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.096 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 112.556 -0.218 . . . . 0.0 112.556 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.42 -12.47 27.31 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.591 2.194 . . . . 0.0 112.431 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.96 -24.7 65.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.955 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -166.87 -129.22 1.04 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.635 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 1.2 m 65.36 158.34 0.1 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.918 0.39 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 12.7 mt -134.17 137.97 50.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.212 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.48 131.11 34.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.513 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.95 96.94 5.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.315 -179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 26.3 mtt180 -78.9 132.47 36.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.357 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . 0.53 HD13 HG23 ' A' ' 798' ' ' ILE . 4.4 mt -119.64 106.55 19.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.87 0.367 . . . . 0.0 111.434 -179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 779' ' ' GLU . 7.7 t -87.23 83.22 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.846 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . 0.405 ' HD1' HD22 ' A' ' 853' ' ' LEU . 65.8 t80 -74.37 135.36 42.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.8 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -111.88 174.25 5.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.083 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -111.74 -52.16 2.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.699 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -131.11 32.09 4.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.657 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 7.7 t 57.08 73.19 0.47 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.032 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -110.4 163.36 13.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.861 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -85.36 -62.48 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.784 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -148.91 102.55 3.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.46 -59.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 2.1 p -153.78 99.67 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.948 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.39 151.34 47.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' A' ' 767' ' ' SER . 13.1 mt-10 -112.13 146.92 37.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 19.8 mt -130.22 111.95 22.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.523 ' HB2' HD12 ' A' ' 766' ' ' ILE . 7.1 m-85 -88.38 167.98 13.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.793 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 71.4 p -134.01 104.88 6.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.058 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 13.6 tp -109.65 129.09 55.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.077 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.79 83.37 8.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.624 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.469 HG11 HD12 ' A' ' 794' ' ' LEU . 2.6 t -74.86 127.3 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.203 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.12 167.28 19.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -86.79 -21.74 26.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.819 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 27.2 m -86.17 22.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.964 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 5.3 m0 -98.52 -170.84 2.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.204 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -132.72 -162.62 1.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.554 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -85.79 -48.4 8.82 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.8 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.77 -35.33 79.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -69.87 -26.67 64.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.821 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.469 HD12 HG11 ' A' ' 785' ' ' VAL . 0.5 OUTLIER -72.76 -48.47 38.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.948 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.506 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.6 OUTLIER -67.22 -24.13 31.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.207 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.84 -47.99 56.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.05 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -60.62 -42.12 96.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.248 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.53 HG23 HD13 ' A' ' 766' ' ' ILE . 35.3 mt -58.0 -45.12 88.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.939 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . 0.414 ' ND2' ' HA ' ' A' ' 812' ' ' PRO . 2.1 t-20 -58.67 -35.57 72.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.688 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 7.9 t -66.18 -35.87 81.59 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.462 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.403 ' HG2' ' HB3' ' A' ' 781' ' ' PHE . 0.0 OUTLIER -63.56 -34.08 77.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.505 179.629 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.578 HG21 HG12 ' A' ' 810' ' ' ILE . 17.5 mt -79.75 -32.75 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.348 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 2.1 t -78.26 5.7 9.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -88.18 -25.77 22.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.673 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 8.1 t -154.22 170.4 21.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.872 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 1.1 t60 60.57 97.06 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.033 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 58.94 -167.08 0.16 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -79.99 -79.85 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.031 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -151.67 123.76 8.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.955 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . 0.578 HG12 HG21 ' A' ' 802' ' ' ILE . 1.1 pt -82.82 -163.12 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.69 142.51 71.19 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.688 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.414 ' HA ' ' ND2' ' A' ' 799' ' ' ASN . 42.2 Cg_endo -67.33 -12.51 36.1 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.527 2.151 . . . . 0.0 112.506 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.799 HG12 HD11 ' A' ' 853' ' ' LEU . 2.2 mt 65.38 125.53 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 25.2 p -107.89 -25.52 11.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.526 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -141.81 140.91 33.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 111.278 -179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.409 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 0.9 OUTLIER -131.58 143.54 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.85 179.69 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.548 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 8.2 mttt -93.17 107.78 19.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.159 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.508 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 30.6 p90 -97.17 136.61 37.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.825 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.561 ' O ' HD11 ' A' ' 849' ' ' LEU . 34.6 tt0 -62.19 127.44 31.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.821 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -84.43 -174.92 5.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.804 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.57 -23.46 63.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.988 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.48 -9.52 44.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 102.64 -25.1 28.7 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.484 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.68 124.24 23.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.743 0.306 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.455 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 88.8 m-85 -67.8 123.95 21.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.38 158.35 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.066 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 14.4 t -76.89 149.95 6.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.426 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.764 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.4 OUTLIER -137.76 113.9 10.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.726 179.803 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -152.94 33.7 0.8 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.484 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.11 162.99 39.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 110.964 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.32 -34.98 73.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.3 OUTLIER -71.11 -34.76 71.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.016 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.764 ' HB3' HD12 ' A' ' 828' ' ' LEU . 1.5 m-20 -60.35 -42.72 96.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.651 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 33.4 t-105 -67.81 -35.85 79.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.565 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.9 -50.66 72.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.78 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 832' ' ' GLU . 22.0 t -62.45 -29.41 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -62.6 -42.7 99.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -63.55 -47.12 82.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.705 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.01 -31.47 71.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.78 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.443 ' HE1' ' O ' ' A' ' 819' ' ' GLN . 1.8 ttm -60.79 -47.41 86.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.647 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.71 HD21 HD13 ' A' ' 849' ' ' LEU . 2.2 mt -79.53 -8.75 59.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.778 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -77.75 -44.17 28.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.322 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -88.82 -20.34 24.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -93.52 -2.14 54.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.043 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.04 26.76 10.41 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -81.48 134.13 35.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 21.09 13.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.057 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -162.23 153.96 18.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.885 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.71 HD13 HD21 ' A' ' 841' ' ' LEU . 8.9 tp -148.04 130.68 15.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.109 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -88.86 127.27 35.63 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.696 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 9.5 mm -112.48 148.21 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.947 0.403 . . . . 0.0 111.317 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -121.33 123.65 42.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.559 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.799 HD11 HG12 ' A' ' 813' ' ' ILE . 11.6 tp -67.85 165.07 18.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.95 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.548 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.3 m-85 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.871 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.066 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . 0.538 ' HG2' ' H ' ' A' ' 759' ' ' LEU . 73.9 Cg_endo -73.0 -62.1 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.662 2.241 . . . . 0.0 112.314 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . 0.538 ' H ' ' HG2' ' A' ' 758' ' ' PRO . 0.2 OUTLIER -139.94 38.11 1.97 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 -179.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -153.72 -160.23 9.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.576 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . 0.403 ' O ' HG13 ' A' ' 762' ' ' ILE . 1.2 p 60.25 173.04 0.09 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.918 0.389 . . . . 0.0 111.208 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 761' ' ' SER . 3.1 mt -141.26 138.28 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.918 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.524 HD11 ' HB ' ' A' ' 782' ' ' THR . 0.2 OUTLIER -77.32 131.76 38.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.684 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . 0.448 ' CE2' HD11 ' A' ' 794' ' ' LEU . 0.1 OUTLIER -123.4 104.47 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.008 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 82.5 mtt180 -79.72 125.97 30.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.68 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . 0.81 HD13 HG23 ' A' ' 798' ' ' ILE . 10.4 mt -116.0 88.44 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.91 0.386 . . . . 0.0 111.137 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 51.5 p -75.97 80.46 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.91 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -69.1 128.87 38.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -101.04 137.42 39.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.726 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.99 103.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.982 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 21.2 t30 59.19 -90.66 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.001 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.13 71.63 0.11 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.95 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . 0.465 HD22 ' H ' ' A' ' 775' ' ' THR . 0.6 OUTLIER -161.54 159.58 27.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -95.04 45.22 1.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . 0.465 ' H ' HD22 ' A' ' 773' ' ' ASN . 9.1 p -116.38 161.75 18.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.052 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.29 -166.88 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.99 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 12.0 p -97.86 173.8 6.91 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 54.6 m -111.32 158.7 18.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.895 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -117.84 97.31 5.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.084 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.471 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 19.1 mt -85.54 120.38 35.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.504 ' HB3' ' HG2' ' A' ' 801' ' ' LYS . 48.3 m-85 -105.52 122.06 45.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . 0.524 ' HB ' HD11 ' A' ' 763' ' ' LEU . 43.2 p -82.61 129.28 34.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . 0.511 HD13 ' HE3' ' A' ' 801' ' ' LYS . 38.9 tp -125.19 139.87 53.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 -179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.2 70.21 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.694 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.484 HG22 HD23 ' A' ' 783' ' ' LEU . 1.9 t -65.04 140.28 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.173 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -101.16 163.83 12.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.727 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -79.2 -24.61 43.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 23.0 m -84.38 23.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 5.4 m0 -102.16 -177.67 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.209 -179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -132.19 -170.98 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.685 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -75.68 -49.58 17.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . 0.5 ' O ' HG22 ' A' ' 795' ' ' ILE . 2.0 p-10 -64.08 -40.12 95.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.999 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.56 -28.11 68.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.448 HD11 ' CE2' ' A' ' 764' ' ' PHE . 1.5 tt -69.01 -54.32 15.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 792' ' ' ASP . 0.4 OUTLIER -59.98 -27.02 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.27 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 17.7 ttp -70.1 -41.41 74.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.74 97.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.058 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.81 HG23 HD13 ' A' ' 766' ' ' ILE . 44.2 mt -62.01 -41.5 91.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.807 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -60.31 -35.69 76.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.757 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 2.7 t -70.75 -29.75 66.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.71 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.511 ' HE3' HD13 ' A' ' 783' ' ' LEU . 0.0 OUTLIER -68.51 -34.81 76.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.811 179.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 798' ' ' ILE . 7.5 mt -77.85 -35.56 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.809 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 5.0 p -84.27 5.31 27.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.828 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -93.42 -45.78 7.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.778 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 2.3 t -90.6 -32.35 16.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.172 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.63 142.23 36.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -100.69 10.33 41.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.814 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -97.67 163.79 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.922 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -106.19 92.97 4.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.762 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 1.1 pt -84.86 179.5 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.085 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.51 128.3 93.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.761 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -67.06 135.52 37.8 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.452 2.101 . . . . 0.0 112.283 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.42 136.17 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.329 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 1.4 p -122.02 -37.44 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -141.01 139.7 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.506 HD12 HG21 ' A' ' 851' ' ' ILE . 10.8 pt -138.01 156.93 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.023 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.474 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 4.9 mttp -111.14 124.84 52.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.028 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 25.8 p90 -106.51 145.57 31.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.526 ' O ' HD11 ' A' ' 849' ' ' LEU . 0.0 OUTLIER -68.36 121.87 17.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.975 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.95 -171.39 2.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.33 -17.18 58.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.995 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.73 -6.05 47.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.952 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 91.84 3.26 68.5 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.541 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.17 136.61 37.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 0.0 110.863 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.474 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 96.9 m-85 -73.98 124.7 26.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.19 158.82 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.131 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 4.9 t -79.74 141.44 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.287 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -127.88 108.86 11.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.795 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -150.65 38.54 0.87 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.641 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.61 149.39 23.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.74 0.305 . . . . 0.0 110.83 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -60.38 -30.06 69.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.429 ' O ' HG23 ' A' ' 836' ' ' VAL . 5.9 tt0 -72.29 -33.59 67.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.43 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.2 OUTLIER -60.79 -47.6 85.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.653 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 35.3 t-105 -64.38 -35.54 81.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.498 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -60.51 -54.7 42.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.663 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 832' ' ' GLU . 38.5 t -60.74 -29.08 44.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.687 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -60.9 -40.19 92.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.863 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 36.9 mtmt -66.8 -45.76 77.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.554 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -63.28 -31.58 72.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.853 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.481 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 39.8 ttp -61.52 -57.71 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.808 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.795 HD21 HD13 ' A' ' 849' ' ' LEU . 4.6 mt -69.18 -20.81 64.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.785 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -65.0 -46.34 81.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.304 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -87.66 -27.0 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.5 OUTLIER -83.59 0.88 44.84 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.005 -179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 56.35 24.85 8.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.493 ' HB3' HD22 ' A' ' 841' ' ' LEU . 0.8 OUTLIER -82.32 133.75 35.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.752 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.34 9.25 18.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.217 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -154.83 159.16 40.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.886 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.795 HD13 HD21 ' A' ' 841' ' ' LEU . 11.9 tp -140.64 156.75 46.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.53 115.9 30.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.733 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.506 HG21 HD12 ' A' ' 816' ' ' ILE . 3.5 mm -115.58 153.87 17.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.176 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 13.7 ttt85 -126.54 136.35 52.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.522 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.506 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -86.31 146.93 26.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.757 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.506 ' H ' HD13 ' A' ' 853' ' ' LEU . 92.6 m-85 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.087 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.173 0 N-CA-C 112.379 -0.288 . . . . 0.0 112.379 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.38 -29.43 16.82 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.431 2.087 . . . . 0.0 112.374 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.57 -47.34 11.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 166.1 -100.49 0.17 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 2.8 m 62.02 172.94 0.13 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.019 0.438 . . . . 0.0 111.397 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 4.6 mt -141.1 134.48 31.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.957 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.513 HD21 HG22 ' A' ' 782' ' ' THR . 0.6 OUTLIER -80.86 121.97 26.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.589 179.69 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.78 102.43 11.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.185 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -81.13 125.06 29.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.364 179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . 0.497 ' O ' ' HA ' ' A' ' 780' ' ' ILE . 5.6 mt -116.07 107.21 22.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.197 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.46 77.81 9.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.971 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -79.24 132.99 36.67 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -117.78 -42.34 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . 0.485 HD21 HD13 ' A' ' 810' ' ' ILE . 2.2 m-20 55.54 77.88 0.21 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 4.3 m120 56.96 46.57 19.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.01 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.87 -166.29 0.15 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.168 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -145.47 -173.21 4.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -92.6 -1.28 57.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.14 22.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.298 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 5.4 p 55.12 25.2 6.87 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.025 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.54 99.6 3.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.823 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.56 139.64 36.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -106.54 95.5 5.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.497 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 17.0 mt -85.76 107.06 15.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.148 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.493 ' HB2' HD12 ' A' ' 766' ' ' ILE . 52.4 m-85 -88.12 143.88 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.788 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . 0.513 HG22 HD21 ' A' ' 763' ' ' LEU . 76.9 p -111.66 106.75 15.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.152 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 1.3 tt -108.28 121.71 45.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.805 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.17 76.06 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.483 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.404 HG11 HD12 ' A' ' 794' ' ' LEU . 13.4 t -69.63 129.68 34.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.38 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -76.1 -174.07 2.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.769 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -112.81 -19.38 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.7 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 6.6 m -88.62 13.58 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.1 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -88.61 178.69 6.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.206 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -121.21 -161.79 0.93 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.721 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -80.77 -54.13 5.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.64 -40.56 95.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -31.51 72.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.678 HD21 HD11 ' A' ' 816' ' ' ILE . 0.6 OUTLIER -68.1 -53.73 23.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.85 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.724 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -63.78 -25.58 38.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 3.0 mtm -73.8 -40.39 63.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -63.9 -36.65 84.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.932 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.724 HD12 ' HA ' ' A' ' 795' ' ' ILE . 14.3 mt -66.29 -41.9 89.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.775 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -61.34 -45.75 93.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.711 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 39.7 t -65.5 -25.94 67.69 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.507 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.21 -55.73 12.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.407 179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 4.4 mt -66.27 -20.8 27.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.702 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 4.4 t -87.38 11.04 15.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.014 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -100.67 -30.81 11.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.82 179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 9.3 t -137.41 175.28 9.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.921 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 46.8 m-70 60.48 -171.61 0.14 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -61.13 155.14 21.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.966 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -122.8 45.56 2.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.976 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.92 15.46 1.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.8 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . 0.485 HD13 HD21 ' A' ' 770' ' ' ASN . 1.6 pt -81.91 165.56 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.165 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.97 139.81 95.76 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.04 -170.67 0.66 Allowed 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.539 2.159 . . . . 0.0 112.445 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 2.4 mp -129.35 120.75 51.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.111 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 37.9 p -101.04 -21.51 14.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.25 148.92 26.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.678 HD11 HD21 ' A' ' 794' ' ' LEU . 4.7 pt -135.94 136.26 49.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.191 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.552 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 43.6 mttt -88.35 131.02 34.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.964 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.468 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 30.7 p90 -115.59 142.12 47.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.861 0.362 . . . . 0.0 110.843 179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -68.62 135.63 51.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.026 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -99.98 -165.97 1.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.59 -12.81 60.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.01 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.37 -8.73 41.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.044 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 94.39 -19.48 53.24 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.594 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.78 163.16 27.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.837 0.351 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.491 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 66.7 m-85 -97.95 118.46 34.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.641 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.85 153.35 6.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.283 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 40.9 t -78.6 138.13 20.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 818' ' ' TYR . 0.8 OUTLIER -121.12 104.64 9.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.799 179.832 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -140.03 24.7 2.69 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.641 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 1.6 m -144.83 150.26 36.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.734 0.302 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -33.37 74.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.98 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.466 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.1 OUTLIER -68.6 -31.84 71.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.867 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.43 -46.94 83.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.802 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 43.2 t-105 -63.38 -35.8 81.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.717 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -60.9 -51.66 68.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.853 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 832' ' ' GLU . 39.8 t -60.89 -32.84 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.068 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.79 -42.1 88.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.759 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -63.83 -44.0 94.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.508 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.42 -22.99 65.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.86 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 41.1 ttp -71.51 -40.12 70.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.703 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.72 HD21 HD13 ' A' ' 849' ' ' LEU . 3.6 mt -87.72 -8.89 55.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -83.93 -26.36 29.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -98.35 11.15 38.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -140.7 4.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 58.75 17.06 4.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.119 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.401 ' O ' ' HB3' ' A' ' 841' ' ' LEU . 3.0 mt-10 -66.04 121.46 15.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.739 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.48 28.12 8.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.11 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 11.5 p90 -163.11 170.26 18.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.033 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.72 HD13 HD21 ' A' ' 841' ' ' LEU . 11.7 tp -162.72 146.75 11.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.768 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.454 ' O ' HD13 ' A' ' 851' ' ' ILE . 68.1 m-20 -95.96 134.45 38.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.516 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 29.5 mm -123.27 134.66 65.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.183 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -111.68 133.3 54.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.71 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -72.95 168.14 19.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.552 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 3.0 m-85 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.184 -0.912 . . . . 0.0 110.918 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.4 -32.19 5.14 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.614 2.209 . . . . 0.0 112.362 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.35 105.41 15.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.996 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 118.53 28.01 2.23 Favored Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.39 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . 0.404 ' C ' HG13 ' A' ' 762' ' ' ILE . 4.2 m -124.75 171.56 10.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.809 0.338 . . . . 0.0 110.875 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . 0.404 HG13 ' C ' ' A' ' 761' ' ' SER . 4.1 mt -136.19 128.29 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.106 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.72 106.39 7.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.534 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -89.06 112.69 23.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.242 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 23.7 mtt180 -89.44 118.87 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.372 179.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . 0.57 HD13 HG23 ' A' ' 798' ' ' ILE . 3.2 mt -116.01 97.88 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.831 0.348 . . . . 0.0 111.257 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.27 81.53 4.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.056 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -72.27 140.36 48.56 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.515 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -117.91 119.8 35.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.965 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -71.92 -17.85 62.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -147.21 147.59 30.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.856 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.35 179.23 4.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.81 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 4.9 t30 65.51 135.26 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.296 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 56.66 -166.31 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.992 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 2.9 t -127.13 150.08 49.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 19.0 t -154.53 -76.12 0.11 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.43 171.43 14.35 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.992 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 9.2 m -153.45 152.11 30.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.032 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -119.17 80.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.431 ' CG2' ' HB3' ' A' ' 765' ' ' ARG . 7.9 mt -68.77 116.68 9.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.238 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.56 ' HB2' HD12 ' A' ' 766' ' ' ILE . 30.6 m-85 -88.45 170.4 10.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 26.1 p -141.73 92.04 2.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.028 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . 0.734 ' HG ' ' HE3' ' A' ' 801' ' ' LYS . 0.2 OUTLIER -101.09 133.78 45.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.108 -179.748 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.75 74.72 7.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.597 179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.472 HG13 ' CE3' ' A' ' 789' ' ' TRP . 4.3 t -64.38 138.64 22.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.13 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -96.2 169.65 9.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.826 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -94.55 -3.77 49.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.768 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 16.3 m -102.59 9.18 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.008 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.472 ' CE3' HG13 ' A' ' 785' ' ' VAL . 23.6 m0 -87.51 -173.25 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.968 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -137.21 -172.28 3.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.522 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -70.99 -41.37 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.61 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.68 -37.78 62.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.68 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.45 -31.34 71.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.805 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.17 -55.72 9.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.823 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.48 -24.75 29.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.069 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 9.4 mtm -77.4 -33.18 55.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.648 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.18 -50.24 64.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.086 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.57 HG23 HD13 ' A' ' 766' ' ' ILE . 3.1 mt -59.8 -49.21 84.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . 0.526 HD21 ' HA ' ' A' ' 812' ' ' PRO . 6.5 t-20 -56.43 -36.15 68.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.2 -35.74 81.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.714 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.734 ' HE3' ' HG ' ' A' ' 783' ' ' LEU . 0.1 OUTLIER -71.83 -36.99 70.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.736 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.596 HG21 HD11 ' A' ' 810' ' ' ILE . 10.6 mt -76.27 -20.92 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.942 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 80.9 p -101.44 19.66 17.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.836 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -114.64 -35.3 4.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 67.8 p -86.44 -20.88 27.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.12 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -124.14 170.21 10.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.843 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -122.5 -19.9 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.813 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -63.75 -23.18 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.971 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 57.7 90.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . 0.596 HD11 HG21 ' A' ' 802' ' ' ILE . 1.2 pp -74.91 -165.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.083 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 2.7 t -56.05 142.44 65.72 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.01 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.526 ' HA ' HD21 ' A' ' 799' ' ' ASN . 56.9 Cg_endo -70.66 -18.33 32.85 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.55 2.167 . . . . 0.0 112.308 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . . . . . . . . . 8.5 mm 60.01 106.11 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.113 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.6 20.27 13.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.358 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -157.58 127.32 6.08 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.258 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 1.6 pt -146.66 143.09 20.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.708 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.54 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 13.2 mttp -106.69 128.49 54.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.124 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.659 ' HB2' HD21 ' A' ' 849' ' ' LEU . 44.9 p90 -103.8 148.96 25.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -72.45 127.02 31.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.957 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.79 -177.97 5.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.028 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -67.43 -24.38 65.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.93 -6.97 58.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.788 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 87.36 6.02 78.54 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.467 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.79 129.02 44.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.778 0.323 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.54 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 72.2 m-85 -66.39 115.0 5.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.619 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.43 153.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.195 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.514 HG22 ' HE3' ' A' ' 817' ' ' LYS . 3.2 t -71.62 149.98 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.3 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.836 HD12 ' HB3' ' A' ' 833' ' ' ASP . 1.2 tp -137.41 94.11 2.89 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.735 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.18 27.41 2.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.6 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 5.2 m -144.89 150.93 37.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.784 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -34.8 74.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.419 ' O ' HG23 ' A' ' 836' ' ' VAL . 13.5 tt0 -69.35 -34.96 75.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.964 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.836 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -56.72 -43.71 80.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.715 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . 0.435 ' O ' ' HD2' ' A' ' 838' ' ' LYS . 38.6 t-105 -67.02 -41.39 86.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.521 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -55.17 -47.2 75.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 832' ' ' GLU . 38.7 t -66.91 -28.42 42.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.991 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.47 91.28 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.759 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . 0.435 ' HD2' ' O ' ' A' ' 834' ' ' TRP . 0.1 OUTLIER -67.9 -49.54 61.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.507 179.559 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 842' ' ' ALA . 0.9 OUTLIER -59.52 -29.55 67.96 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.68 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.434 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.1 ttm -64.55 -54.41 32.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.428 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.757 HD21 HD13 ' A' ' 849' ' ' LEU . 9.0 mt -68.86 -9.98 54.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.489 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 839' ' ' GLU . . . -75.4 -56.4 4.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.065 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -74.7 -35.78 62.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 840' ' ' MET . 2.1 m-80 -73.76 -6.79 49.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 57.36 25.97 11.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.29 178.67 3.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.09 -25.03 0.49 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.193 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -123.75 -178.84 4.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.816 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.757 HD13 HD21 ' A' ' 841' ' ' LEU . 13.1 tp -161.27 134.11 6.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -93.28 123.5 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.536 HD11 HD23 ' A' ' 849' ' ' LEU . 8.9 mm -118.09 138.58 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.246 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.85 136.44 45.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.575 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.556 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -89.25 150.36 22.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.834 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.556 ' H ' HD13 ' A' ' 853' ' ' LEU . 87.2 m-85 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.229 -0.891 . . . . 0.0 111.093 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -76.56 -161.71 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.632 2.221 . . . . 0.0 112.403 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -142.64 95.37 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.747 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 124.2 52.01 0.19 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.493 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.67 155.48 47.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.737 0.303 . . . . 0.0 110.812 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.9 mt -122.29 129.31 75.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.366 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.442 ' HB3' ' HB2' ' A' ' 848' ' ' PHE . 0.3 OUTLIER -78.02 93.85 4.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.555 179.813 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -92.25 120.63 32.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.17 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.523 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 7.3 mtp180 -99.75 131.18 45.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.56 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . 0.466 HD13 HG23 ' A' ' 798' ' ' ILE . 4.8 mt -123.37 106.11 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.277 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 21.7 t -76.73 83.04 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.801 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . 0.512 ' OH ' HG21 ' A' ' 810' ' ' ILE . 77.6 t80 -79.56 126.72 31.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.04 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -129.34 106.93 9.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.814 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . 0.485 HD22 HD22 ' A' ' 771' ' ' ASN . 0.6 OUTLIER -63.13 -44.5 95.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.057 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . 0.485 HD22 HD22 ' A' ' 770' ' ' ASN . 19.1 m-80 -131.24 170.77 14.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 66.1 p -72.89 98.39 2.45 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -97.68 -30.34 12.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 8.8 t30 59.32 93.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.946 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 8.8 t 36.53 44.07 0.29 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.969 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 1.9 t -125.67 -45.11 1.78 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.968 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 7.5 t -146.15 141.36 27.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -155.36 161.09 41.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -123.79 79.48 1.71 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.426 HG21 ' NH1' ' A' ' 765' ' ' ARG . 50.5 mt -73.8 113.12 11.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.097 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.523 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 16.7 m-85 -88.21 148.31 24.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 25.9 p -122.41 93.15 3.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.025 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . 0.473 ' HB2' ' HE3' ' A' ' 801' ' ' LYS . 9.4 tp -110.16 128.05 55.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.891 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 4.2 mp -80.45 78.0 7.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.547 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.762 HG11 HD12 ' A' ' 794' ' ' LEU . 6.5 t -64.39 118.13 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.169 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -67.71 166.47 15.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.123 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -88.37 -21.1 24.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.732 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 15.5 m -87.33 27.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.978 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.403 ' CE3' HG13 ' A' ' 785' ' ' VAL . 10.2 m0 -107.29 -179.68 4.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.035 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . 0.4 ' H ' ' HB2' ' A' ' 793' ' ' ASP . 0.2 OUTLIER -130.26 -174.54 3.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.751 179.808 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -67.93 -51.4 48.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.794 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.51 -35.15 79.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . 0.4 ' HB2' ' H ' ' A' ' 790' ' ' ASN . 0.4 OUTLIER -68.91 -37.91 79.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.669 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.762 HD12 HG11 ' A' ' 785' ' ' VAL . 1.8 tt -63.73 -52.5 60.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.81 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.688 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -65.48 -25.95 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.284 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -73.0 -39.69 65.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.972 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.14 -35.55 80.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.088 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 795' ' ' ILE . 22.8 mt -64.8 -47.77 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -59.85 -33.96 72.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.732 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.17 -30.29 67.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.99 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.473 ' HE3' ' HB2' ' A' ' 783' ' ' LEU . 0.0 OUTLIER -71.76 -31.6 66.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.019 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 17.1 mt -77.44 -29.34 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 7.4 t -90.78 27.14 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -132.43 0.29 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.37 -50.27 1.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.236 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -93.65 169.07 10.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.954 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -122.68 20.8 10.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -121.43 140.69 51.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -83.36 90.55 7.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.819 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . 0.512 HG21 ' OH ' ' A' ' 768' ' ' TYR . 1.2 pp -78.66 176.04 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.49 ' O ' HD12 ' A' ' 810' ' ' ILE . 0.3 OUTLIER -62.99 131.25 94.63 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.079 -179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.22 148.31 74.34 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.522 2.148 . . . . 0.0 112.358 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.466 HG12 HD21 ' A' ' 853' ' ' LEU . 3.6 mp -104.25 129.67 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.04 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -123.33 -18.84 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 146.45 50.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.09 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.43 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 2.8 pt -145.0 147.29 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.578 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 13.0 mttt -100.09 116.78 32.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.278 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.499 ' CD1' ' HB2' ' A' ' 828' ' ' LEU . 28.7 p90 -104.77 139.85 38.95 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.553 ' O ' HD11 ' A' ' 849' ' ' LEU . 47.9 tt0 -65.56 128.8 37.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -92.74 176.44 6.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.75 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -8.74 55.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.768 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.21 4.52 52.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 72.83 29.19 65.59 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.559 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -133.4 135.0 44.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.319 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.534 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 63.8 m-85 -72.1 119.88 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.715 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.0 151.55 11.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.17 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 3.8 t -67.71 139.83 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.354 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.499 ' HB2' ' CD1' ' A' ' 818' ' ' TYR . 0.4 OUTLIER -130.49 101.32 5.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.769 179.76 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -146.93 52.42 0.56 Allowed Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.76 161.34 11.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.795 0.331 . . . . 0.0 110.959 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.99 -32.58 73.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.892 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 836' ' ' VAL . 1.9 tt0 -71.83 -35.51 69.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.457 ' HB3' HD12 ' A' ' 828' ' ' LEU . 83.0 m-20 -59.34 -48.85 80.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.78 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 30.9 t-105 -64.67 -34.31 78.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.697 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.28 -49.53 75.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.855 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 832' ' ' GLU . 37.0 t -66.13 -31.38 53.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.149 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.83 -47.21 85.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -63.21 -42.96 99.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.675 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.27 -25.9 67.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.873 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.48 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 1.8 ttm -65.18 -52.82 52.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.609 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.589 HD21 HD13 ' A' ' 849' ' ' LEU . 7.8 mt -70.44 -16.79 62.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.549 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -77.91 -42.09 34.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.266 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -88.28 -4.88 58.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.5 OUTLIER -110.92 4.38 19.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.0 -179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 57.51 20.84 6.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.963 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.468 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 0.7 OUTLIER -72.81 -174.06 1.36 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.823 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.63 -27.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.228 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . 0.442 ' HB2' ' HB3' ' A' ' 763' ' ' LEU . 12.4 p90 -127.58 -176.57 3.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.863 0.364 . . . . 0.0 111.155 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.589 HD13 HD21 ' A' ' 841' ' ' LEU . 13.1 tp -165.18 151.88 10.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.594 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.463 ' O ' HD13 ' A' ' 851' ' ' ILE . 1.5 m-80 -107.32 134.64 50.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.196 -179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 850' ' ' ASN . 5.3 mm -126.05 146.43 31.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.801 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -134.13 139.67 46.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.746 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.466 HD21 HG12 ' A' ' 813' ' ' ILE . 3.0 mt -66.53 173.63 3.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.578 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.6 m-85 . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.817 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.41 -0.276 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -71.46 -49.75 0.34 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.57 2.18 . . . . 0.0 112.166 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.33 -58.24 2.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.854 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -158.2 144.15 10.14 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.525 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 30.7 p -140.77 160.6 39.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 111.01 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 7.1 mt -133.32 136.41 54.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.041 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.28 136.25 40.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.57 179.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . 0.451 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -125.41 100.55 6.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.335 -179.587 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.459 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 0.4 OUTLIER -74.55 127.4 33.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.161 179.454 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . 0.81 HD13 HG23 ' A' ' 798' ' ' ILE . 9.3 mt -123.33 97.5 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 111.324 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 58.3 p -87.48 109.37 19.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.042 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . 0.518 ' OH ' HG23 ' A' ' 810' ' ' ILE . 10.1 t80 -104.3 107.06 17.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . 0.512 ' ND2' ' HB2' ' A' ' 778' ' ' SER . 1.7 t-20 -112.51 55.19 0.69 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.747 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.67 -88.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.08 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -134.65 42.35 2.83 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.834 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.11 39.06 30.45 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.114 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -24.31 60.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 1.9 t30 55.75 38.52 30.2 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 15.8 p -127.6 -33.15 2.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.135 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.24 176.63 5.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.024 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.05 154.58 41.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.087 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . 0.512 ' HB2' ' ND2' ' A' ' 769' ' ' ASN . 8.7 t -117.48 140.64 49.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.075 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -102.17 100.56 10.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 5.8 mt -87.75 121.91 38.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.459 ' O ' ' HA ' ' A' ' 765' ' ' ARG . 44.4 m-85 -99.23 173.67 6.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.831 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 74.3 p -131.99 105.34 7.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.986 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . 0.569 HD12 HD11 ' A' ' 766' ' ' ILE . 0.6 OUTLIER -101.62 134.48 44.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 -179.708 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -88.16 65.56 8.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.477 179.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.543 HG11 HD12 ' A' ' 794' ' ' LEU . 13.0 t -64.58 108.7 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.207 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.34 178.19 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.871 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -95.93 -14.91 22.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 27.2 m -88.41 13.82 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.484 ' CE3' HG13 ' A' ' 785' ' ' VAL . 11.8 m0 -95.35 -170.29 2.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.085 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -140.94 -169.14 2.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.414 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -70.4 -49.47 48.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.811 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.77 -45.73 85.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.992 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -30.34 70.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.694 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.543 HD12 HG11 ' A' ' 785' ' ' VAL . 3.4 tt -69.44 -57.36 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.806 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' A' ' 798' ' ' ILE . 3.1 tp -60.49 -24.92 32.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 32.5 tpp -71.87 -36.68 70.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.81 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -66.42 -43.84 84.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.25 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.81 HG23 HD13 ' A' ' 766' ' ' ILE . 5.9 mt -60.63 -46.99 94.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.046 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -58.62 -33.04 69.58 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.819 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 47.4 t -66.55 -34.91 78.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.639 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . 0.527 ' HE3' ' HG ' ' A' ' 783' ' ' LEU . 0.0 OUTLIER -65.46 -39.25 91.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.813 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.53 HG21 HG21 ' A' ' 810' ' ' ILE . 14.7 mt -71.77 -40.96 70.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.367 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 10.0 t -69.59 -7.8 41.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -84.96 -40.16 17.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.842 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 1.4 t -153.56 115.28 4.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.284 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.45 ' HB2' HG13 ' A' ' 810' ' ' ILE . 33.7 p80 -149.48 178.46 8.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.748 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -84.47 -88.27 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -164.72 -13.17 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.112 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -128.08 82.46 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.95 0.405 . . . . 0.0 111.163 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . 0.53 HG21 HG21 ' A' ' 802' ' ' ILE . 28.4 mm -119.85 131.9 71.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.86 151.22 37.46 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.819 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -58.02 166.19 5.86 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.596 2.198 . . . . 0.0 112.163 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.49 HD11 HD12 ' A' ' 802' ' ' ILE . 1.0 OUTLIER -105.95 -89.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.375 -179.686 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.401 ' H ' ' HB ' ' A' ' 813' ' ' ILE . 0.2 OUTLIER 58.32 18.12 5.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.277 -179.777 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -169.41 118.17 0.64 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . . . . . . . . . 5.9 pt -144.91 151.82 15.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.944 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.479 ' HB2' ' HE1' ' A' ' 854' ' ' TYR . 61.0 mttt -111.91 129.89 56.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.98 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.435 ' HD2' HD21 ' A' ' 849' ' ' LEU . 24.4 p90 -103.59 146.45 28.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.03 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -73.42 138.11 45.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.997 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . 0.45 ' HA ' ' HE1' ' A' ' 840' ' ' MET . 0.5 OUTLIER -93.83 -176.5 4.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.2 -21.33 64.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.833 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -97.7 6.96 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.721 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 71.33 43.58 54.35 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.461 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -126.17 121.17 32.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.797 0.332 . . . . 0.0 110.877 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -66.38 108.67 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.79 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.19 152.84 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.213 -179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.411 HG22 ' HE2' ' A' ' 817' ' ' LYS . 4.1 t -66.99 153.87 8.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.809 HD12 ' HB3' ' A' ' 833' ' ' ASP . 1.7 tp -146.42 94.91 2.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.681 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.45 35.39 2.02 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.611 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 60.2 p -154.46 147.66 24.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -60.57 -27.8 67.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.807 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.472 ' O ' HG23 ' A' ' 836' ' ' VAL . 3.7 tt0 -71.65 -40.65 69.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.832 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.809 ' HB3' HD12 ' A' ' 828' ' ' LEU . 3.3 m-20 -57.59 -40.9 80.1 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.615 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 48.1 t-105 -67.41 -36.17 80.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.338 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -61.86 -50.1 73.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.486 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 832' ' ' GLU . 15.1 t -63.53 -32.05 55.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.784 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . 0.42 ' O ' ' HG ' ' A' ' 841' ' ' LEU . . . -61.33 -37.97 85.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.646 179.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.2 -42.69 83.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.425 179.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -63.54 -26.45 68.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.435 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.498 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 44.6 ttp -70.32 -45.66 65.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.481 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.53 HD21 HD13 ' A' ' 849' ' ' LEU . 5.9 mt -76.45 -18.33 58.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.845 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -78.91 -37.0 41.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.199 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -90.38 -7.35 53.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.498 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.7 OUTLIER -116.83 -2.32 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.923 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 59.0 18.32 6.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.018 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.505 ' O ' ' HB3' ' A' ' 841' ' ' LEU . 1.0 OUTLIER -68.87 124.29 23.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.26 14.82 24.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.982 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -152.64 157.48 41.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.749 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.53 HD13 HD21 ' A' ' 841' ' ' LEU . 8.6 tp -150.26 132.08 15.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.046 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 -85.16 123.51 30.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.004 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.43 HG13 ' CE2' ' A' ' 764' ' ' PHE . 5.3 mm -120.25 141.71 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.249 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -112.99 142.05 46.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.827 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.512 HD13 ' H ' ' A' ' 854' ' ' TYR . 0.2 OUTLIER -88.32 148.6 24.21 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.047 -179.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.512 ' H ' HD13 ' A' ' 853' ' ' LEU . 94.6 m-85 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.972 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.2 -25.85 18.46 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.618 2.212 . . . . 0.0 112.166 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.31 -61.44 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.937 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . 169.61 74.68 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 89.4 p -108.14 172.82 6.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.682 0.277 . . . . 0.0 110.826 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 16.4 mt -134.5 133.03 54.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.193 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.63 83.85 5.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.725 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.13 107.45 5.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.169 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 849' ' ' LEU . 25.4 mtm180 -83.56 127.96 34.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.435 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . 0.553 HD12 ' HB2' ' A' ' 781' ' ' PHE . 2.4 mt -115.87 87.14 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.783 0.325 . . . . 0.0 111.218 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.38 92.62 5.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . 0.485 ' CD2' ' HG ' ' A' ' 853' ' ' LEU . 4.1 t80 -81.83 115.48 21.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -117.31 124.46 49.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -95.87 -25.52 15.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.775 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . 0.425 ' HB3' ' HB2' ' A' ' 774' ' ' ASN . 0.5 OUTLIER -89.21 -2.25 58.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.777 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 3.1 m 60.81 99.65 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.997 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . 0.575 ' HA ' HH22 ' A' ' 852' ' ' ARG . 3.9 t-20 57.47 77.1 0.29 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.899 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . 0.425 ' HB2' ' HB3' ' A' ' 771' ' ' ASN . 0.8 OUTLIER -141.25 179.04 7.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.746 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 10.6 t -119.96 153.76 35.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.095 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.48 35.72 25.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.974 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 96.5 p -156.43 19.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 19.7 p -111.77 117.25 32.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -99.65 95.91 7.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.803 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.3 mt -85.42 124.69 40.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.203 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.553 ' HB2' HD12 ' A' ' 766' ' ' ILE . 32.4 m-85 -108.96 121.8 45.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.745 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 49.7 p -91.79 119.83 31.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 9.7 tp -122.94 138.34 54.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.84 83.53 7.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.664 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.43 HG13 ' CE3' ' A' ' 789' ' ' TRP . 3.4 t -70.96 147.73 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.173 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.406 ' HB3' HG22 ' A' ' 788' ' ' VAL . 5.7 mm-40 -106.35 145.48 31.64 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.798 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -70.51 -6.59 37.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.982 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . 0.406 HG22 ' HB3' ' A' ' 786' ' ' GLU . 16.1 m -100.48 30.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.882 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.43 ' CE3' HG13 ' A' ' 785' ' ' VAL . 9.3 m0 -110.92 -171.28 1.8 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.189 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -136.13 -177.6 4.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.556 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . 0.415 ' CZ ' ' HA2' ' A' ' 829' ' ' GLY . 74.2 t80 -68.74 -49.42 58.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.72 -35.34 80.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.741 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.6 -33.71 69.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.898 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.63 -50.75 65.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.891 ' HA ' HD12 ' A' ' 798' ' ' ILE . 0.5 OUTLIER -65.96 -25.19 35.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.176 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 1.8 ttp -72.48 -41.08 66.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.814 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -64.19 -38.67 91.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.059 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.891 HD12 ' HA ' ' A' ' 795' ' ' ILE . 12.0 mt -61.63 -45.87 97.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.662 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -61.17 -32.99 72.72 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.578 179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -38.07 89.73 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.385 179.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -40.33 96.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.415 179.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.612 HD11 HD11 ' A' ' 813' ' ' ILE . 41.5 mt -70.16 -34.9 61.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.174 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 2.1 p -61.95 -22.38 65.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -67.29 -41.06 86.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.456 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 2.1 t -152.88 112.06 3.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.971 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.748 ' HB2' ' HA ' ' A' ' 809' ' ' ASN . 1.3 p80 -131.13 -23.11 2.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . 0.455 ' HB3' ' H ' ' A' ' 808' ' ' ASN . 1.6 t-20 59.22 -88.83 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.99 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . 0.455 ' H ' ' HB3' ' A' ' 807' ' ' ASN . 0.9 OUTLIER -81.09 4.3 20.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.673 179.795 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . 0.748 ' HA ' ' HB2' ' A' ' 806' ' ' HIS . 0.5 OUTLIER 59.59 93.93 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.187 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . 0.582 HD11 HD13 ' A' ' 802' ' ' ILE . 1.1 pp -81.84 172.01 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.045 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . 0.462 ' HA ' ' HD3' ' A' ' 812' ' ' PRO . 26.8 t -71.87 137.02 82.45 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.024 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 811' ' ' SER . 24.7 Cg_exo -63.05 176.13 2.09 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.591 2.194 . . . . 0.0 112.223 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.679 HD12 HD11 ' A' ' 853' ' ' LEU . 7.8 mm -93.67 142.32 13.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 16.4 p -133.52 -42.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.09 134.73 38.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.538 HG22 HD22 ' A' ' 853' ' ' LEU . 8.3 pt -137.76 155.43 30.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.575 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 17.0 mttt -119.41 126.96 52.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.847 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.485 ' HB2' HD21 ' A' ' 849' ' ' LEU . 33.9 p90 -100.19 141.6 32.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.096 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -66.2 136.53 56.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.45 -177.86 4.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -25.27 66.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.73 -21.64 34.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 101.38 24.42 8.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.532 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.58 128.96 55.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.833 0.349 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.575 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 40.2 m-85 -66.88 115.44 6.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.809 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.95 148.94 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.084 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . 0.479 ' HA ' ' HG2' ' A' ' 817' ' ' LYS . 22.1 t -64.38 145.27 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.314 -179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.667 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.7 OUTLIER -137.09 95.91 3.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.772 179.865 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . 0.415 ' HA2' ' CZ ' ' A' ' 791' ' ' PHE . . . -137.98 24.36 2.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.682 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -140.71 156.26 46.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.812 0.339 . . . . 0.0 110.738 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.85 -36.27 83.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.766 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.5 OUTLIER -66.37 -37.7 85.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.667 ' HB3' HD12 ' A' ' 828' ' ' LEU . 1.6 m-20 -57.0 -42.62 80.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.686 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -66.55 -35.48 80.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.389 179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -39.87 94.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.517 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 832' ' ' GLU . 21.5 t -68.85 -30.21 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.88 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.85 -41.71 97.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.822 179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -66.96 -37.45 84.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.6 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -74.85 -23.54 58.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.792 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . . . . . . . . . 1.4 ttm -68.74 -47.87 65.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.664 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.56 HD21 HD13 ' A' ' 849' ' ' LEU . 5.5 mt -80.18 -14.82 58.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.515 179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -67.36 -62.63 1.33 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.045 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -67.14 -35.65 80.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.009 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -75.32 -6.13 48.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 57.17 26.19 11.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.052 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.96 -164.77 0.06 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.07 -27.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.913 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -123.07 155.54 36.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.803 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.56 HD13 HD21 ' A' ' 841' ' ' LEU . 15.1 tp -142.48 146.26 34.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.07 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -102.22 123.19 45.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.795 179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . . . . . . . . . 8.0 mm -118.46 145.03 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.303 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . 0.575 HH22 ' HA ' ' A' ' 773' ' ' ASN . 0.7 OUTLIER -114.38 138.97 49.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.799 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.679 HD11 HD12 ' A' ' 813' ' ' ILE . 0.2 OUTLIER -91.68 146.16 24.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.423 ' HE1' ' HB2' ' A' ' 817' ' ' LYS . 83.4 m-85 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.304 -0.855 . . . . 0.0 111.089 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.243 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.86 -9.62 19.62 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.586 2.191 . . . . 0.0 112.454 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.9 -43.63 71.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -166.47 105.22 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.415 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . . . . . . . . . 27.0 p -155.96 163.3 39.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.799 0.333 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 3.5 mt -139.25 121.95 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 763' ' ' LEU . 0.5 OUTLIER -70.84 105.73 3.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.562 179.753 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . 0.44 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -100.0 117.08 33.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.314 -179.604 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.48 ' HA ' ' O ' ' A' ' 781' ' ' PHE . 21.1 mtt-85 -93.23 130.73 38.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.447 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . 0.678 HD12 ' HB2' ' A' ' 781' ' ' PHE . 3.4 mt -123.9 107.57 19.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.246 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 1.7 t -86.57 138.18 31.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . 0.421 ' O ' ' HB3' ' A' ' 778' ' ' SER . 57.3 t80 -133.05 129.11 37.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.717 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -119.36 164.81 15.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.0 -179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -107.81 -35.37 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.853 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -143.27 -55.65 0.4 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.839 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.22 -155.6 0.56 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.774 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -85.63 19.46 2.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.6 -161.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.774 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 6.9 p 53.16 -161.44 0.11 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.455 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.67 79.01 6.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.014 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 1.7 t 56.76 -168.45 0.11 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.163 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 768' ' ' TYR . 1.5 m -116.02 -173.91 2.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.971 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -104.42 121.69 43.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 766' ' ' ILE . 6.9 mt -117.0 124.87 73.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.987 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . 0.678 ' HB2' HD12 ' A' ' 766' ' ' ILE . 11.1 m-85 -98.6 159.26 15.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.786 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . . . . . . . . . 82.6 p -129.26 89.7 2.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.181 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.5 128.28 49.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . . . . . . . . . 7.6 mp -79.8 88.2 5.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.877 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.539 HG11 HD12 ' A' ' 794' ' ' LEU . 15.2 t -70.89 131.44 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.079 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' A' ' 789' ' ' TRP . 2.0 mm-40 -92.27 152.14 19.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -70.91 -27.97 64.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.795 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 31.6 m -70.57 -12.21 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.025 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.51 ' HE3' HG13 ' A' ' 785' ' ' VAL . 13.1 m0 -74.42 166.43 23.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.238 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -119.89 -168.37 1.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.54 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -69.7 -46.35 66.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.625 179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -67.5 -41.25 84.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -32.89 74.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.539 HD12 HG11 ' A' ' 785' ' ' VAL . 1.3 tt -69.68 -55.05 11.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.868 ' HA ' HD12 ' A' ' 798' ' ' ILE . 4.5 tp -59.55 -28.16 39.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 2.5 ttm -72.12 -36.63 69.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.764 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.35 80.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.937 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.868 HD12 ' HA ' ' A' ' 795' ' ' ILE . 6.8 mt -69.67 -50.34 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.59 -32.24 66.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.684 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 22.5 t -70.63 -36.9 73.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.504 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 6.9 tptp -64.29 -34.76 78.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.76 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . 0.495 HG21 HD11 ' A' ' 810' ' ' ILE . 19.7 mt -75.39 -35.45 32.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.145 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 1.9 p -72.8 -3.25 24.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.135 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -111.07 -37.55 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.107 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 72.4 p -100.04 157.71 16.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.277 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . 0.448 ' HB3' ' H ' ' A' ' 807' ' ' ASN . 2.0 t60 55.77 -99.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.288 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . 0.448 ' H ' ' HB3' ' A' ' 806' ' ' HIS . 1.3 t-20 -145.74 151.26 37.7 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.766 0.317 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -99.45 28.83 4.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.61 52.14 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.007 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . 0.495 HD11 HG21 ' A' ' 802' ' ' ILE . 1.3 pt -119.95 176.11 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 3.6 t -66.34 145.06 98.95 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.93 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.03 172.57 8.38 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.441 2.094 . . . . 0.0 112.26 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.863 HD12 HD11 ' A' ' 853' ' ' LEU . 7.1 mm -112.69 -88.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.277 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . 0.475 ' H ' ' HB ' ' A' ' 813' ' ' ILE . 0.2 OUTLIER 56.92 16.85 2.98 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.932 0.396 . . . . 0.0 111.123 -179.874 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.464 ' H ' HG22 ' A' ' 813' ' ' ILE . 3.0 tttt -166.91 124.62 1.3 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.533 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.413 ' HB ' ' CG2' ' A' ' 851' ' ' ILE . 1.0 OUTLIER -139.55 151.11 22.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.388 -179.733 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.535 ' HG3' ' OH ' ' A' ' 854' ' ' TYR . 0.9 OUTLIER -106.15 117.81 34.99 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.715 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . 0.807 ' HB2' HD21 ' A' ' 849' ' ' LEU . 18.9 p90 -101.28 140.5 35.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.872 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.49 ' O ' HD11 ' A' ' 849' ' ' LEU . 7.4 tt0 -71.34 120.84 17.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.02 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -76.4 -176.27 3.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.787 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -71.67 -18.32 62.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.946 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.3 7.45 45.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 69.45 30.91 71.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.473 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.24 119.84 34.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.754 0.311 . . . . 0.0 110.928 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -59.67 117.74 5.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.935 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.84 156.91 14.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 3.0 t -75.22 149.4 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.085 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.632 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.6 OUTLIER -142.29 105.65 4.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.799 179.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -142.92 11.68 2.36 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.468 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -131.03 156.54 44.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -63.99 -31.46 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.82 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.519 ' O ' HG23 ' A' ' 836' ' ' VAL . 0.7 OUTLIER -68.01 -35.27 78.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.797 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.632 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.5 OUTLIER -62.5 -49.86 73.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.782 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 51.8 t-105 -61.54 -32.87 72.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.524 179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 26.7 m-20 -63.01 -48.76 77.42 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.737 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 832' ' ' GLU . 21.7 t -66.43 -30.39 49.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.971 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -58.63 -45.59 88.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -67.64 -36.12 80.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.509 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -70.69 -22.52 62.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.563 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.461 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 0.4 OUTLIER -76.01 -41.4 51.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.538 179.719 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.712 HD21 HD13 ' A' ' 849' ' ' LEU . 1.4 mt -83.29 -11.85 57.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.633 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -75.01 -49.33 20.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.131 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -87.38 10.9 15.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 840' ' ' MET . 0.7 OUTLIER -125.28 1.53 7.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 57.17 24.92 10.32 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.046 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -84.48 132.92 34.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.722 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -112.62 -10.68 13.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.077 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -124.9 177.59 5.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.807 HD21 ' HB2' ' A' ' 818' ' ' TYR . 16.5 tp -165.94 145.32 6.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 -179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -100.0 132.98 45.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.769 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.461 ' HA ' ' O ' ' A' ' 817' ' ' LYS . 14.4 mm -123.15 140.36 47.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.928 0.394 . . . . 0.0 111.399 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.33 145.13 43.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.696 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . 0.863 HD11 HD12 ' A' ' 813' ' ' ILE . 11.4 tp -82.59 163.49 21.43 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.047 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . 0.535 ' OH ' ' HG3' ' A' ' 817' ' ' LYS . 2.2 m-85 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.806 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 757' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 CA-C-O 120.181 -0.233 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 758' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -74.12 -1.11 10.45 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.562 2.174 . . . . 0.0 112.368 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 759' ' ' LEU . . . . . 0.416 ' H ' HD12 ' A' ' 759' ' ' LEU . 5.8 mp -59.49 -35.41 74.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.816 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 760' ' ' GLY . . . . . . . . . . . . . . . -159.57 86.41 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 761' ' ' SER . . . . . 0.431 ' OG ' HD23 ' A' ' 784' ' ' LEU . 0.0 OUTLIER -143.04 168.44 19.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.835 0.35 . . . . 0.0 110.905 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 762' ' ' ILE . . . . . . . . . . . . . 2.6 mp -124.4 127.98 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 763' ' ' LEU . . . . . 0.446 HD11 HG22 ' A' ' 782' ' ' THR . 0.3 OUTLIER -70.93 95.09 1.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.54 179.893 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 764' ' ' PHE . . . . . 0.428 ' HB2' HG23 ' A' ' 785' ' ' VAL . 0.1 OUTLIER -91.03 115.4 27.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.033 -179.859 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 765' ' ' ARG . . . . . 0.412 ' HB3' ' CG2' ' A' ' 780' ' ' ILE . 6.6 mtp180 -88.58 130.36 35.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.764 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 766' ' ' ILE . . . . . . . . . . . . . 6.1 mt -123.6 93.0 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.125 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 767' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.8 109.68 17.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 768' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -114.0 141.65 47.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 769' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -115.01 131.03 57.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 770' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -82.53 -29.3 30.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.967 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 771' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -135.51 -26.72 1.23 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 772' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 61.09 170.4 0.1 Allowed 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.178 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 773' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 52.98 41.78 32.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 774' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -100.21 -63.97 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.779 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 775' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.54 -73.38 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.009 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 776' ' ' SER . . . . . . . . . . . . . 5.5 p -168.14 -33.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.735 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 777' ' ' SER . . . . . . . . . . . . . 31.7 p -65.04 133.33 51.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.02 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 778' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.48 -171.18 2.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.836 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 779' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -109.92 71.72 0.77 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.794 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 780' ' ' ILE . . . . . 0.412 ' CG2' ' HB3' ' A' ' 765' ' ' ARG . 16.5 mt -77.81 119.91 27.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.154 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 781' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -96.09 172.1 8.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.644 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 782' ' ' THR . . . . . 0.446 HG22 HD11 ' A' ' 763' ' ' LEU . 64.2 p -136.13 94.75 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.351 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 783' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.25 120.17 41.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.756 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 784' ' ' LEU . . . . . 0.431 HD23 ' OG ' ' A' ' 761' ' ' SER . 5.3 mp -73.73 91.31 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.931 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 785' ' ' VAL . . . . . 0.456 HG13 ' CE3' ' A' ' 789' ' ' TRP . 5.0 t -76.94 132.73 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.02 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 786' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -91.93 164.7 13.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.991 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 787' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -82.43 -18.32 42.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.737 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 788' ' ' VAL . . . . . . . . . . . . . 31.2 m -86.73 23.59 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.982 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 789' ' ' TRP . . . . . 0.456 ' CE3' HG13 ' A' ' 785' ' ' VAL . 6.4 m0 -105.93 -175.78 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.177 -179.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 790' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -138.29 -174.32 3.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.55 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 791' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -68.66 -44.67 73.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 792' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -68.04 -37.31 81.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 793' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.95 -31.93 68.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.655 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 794' ' ' LEU . . . . . 0.438 HD21 HD11 ' A' ' 816' ' ' ILE . 1.2 tt -69.41 -51.21 38.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.772 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 795' ' ' ILE . . . . . 0.411 ' HA ' HD12 ' A' ' 798' ' ' ILE . 3.9 tp -64.03 -23.56 33.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 796' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -35.48 63.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 797' ' ' ALA . . . . . . . . . . . . . . . -67.77 -47.2 69.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.278 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 798' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 795' ' ' ILE . 13.1 mt -58.12 -49.99 79.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.186 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 799' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.44 -28.45 68.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 800' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.34 -37.51 74.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.584 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 801' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -67.33 -33.24 74.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.806 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 802' ' ' ILE . . . . . . . . . . . . . 35.6 mt -75.97 -32.85 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.255 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 803' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.58 -0.35 29.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.985 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 804' ' ' ASN . . . . . . . . . . . . . 18.8 m-20 -87.5 -31.42 19.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.663 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 805' ' ' THR . . . . . . . . . . . . . 59.3 p -92.71 -59.54 2.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 806' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 51.09 82.27 0.06 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.187 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 807' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -117.05 52.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.783 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 808' ' ' ASN . . . . . 0.492 ' HB3' ' ND2' ' A' ' 809' ' ' ASN . 1.2 t30 62.97 164.66 0.11 Allowed 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.124 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 809' ' ' ASN . . . . . 0.492 ' ND2' ' HB3' ' A' ' 808' ' ' ASN . 8.4 m-80 54.61 31.13 14.49 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 810' ' ' ILE . . . . . . . . . . . . . 28.0 mm -101.8 130.84 50.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.788 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 811' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.49 149.33 70.72 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.985 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 812' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.34 124.49 10.89 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.418 2.079 . . . . 0.0 112.312 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 813' ' ' ILE . . . . . 0.487 HG22 ' H ' ' A' ' 815' ' ' LYS . 10.6 mm -113.37 142.53 25.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.234 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 814' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.5 29.94 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.983 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 815' ' ' LYS . . . . . 0.487 ' H ' HG22 ' A' ' 813' ' ' ILE . 0.0 OUTLIER -151.45 123.85 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.992 -179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 816' ' ' ILE . . . . . 0.438 HD11 HD21 ' A' ' 794' ' ' LEU . 6.6 pt -137.01 149.63 26.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 817' ' ' LYS . . . . . 0.586 ' HB3' ' HB3' ' A' ' 825' ' ' PHE . 33.0 mttt -112.82 134.13 54.49 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.096 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 818' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -109.98 149.0 30.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 819' ' ' GLN . . . . . 0.475 ' O ' HD11 ' A' ' 849' ' ' LEU . 26.1 tt0 -77.24 135.58 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.833 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 820' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -105.86 -165.14 1.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.056 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 821' ' ' GLU . . . . . 0.461 ' HG2' HD21 ' A' ' 844' ' ' ASN . 1.0 OUTLIER -69.44 -18.71 63.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -179.8 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 822' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.98 -8.54 58.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 823' ' ' GLY . . . . . . . . . . . . . . . 83.91 3.83 89.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.505 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 824' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.13 160.83 14.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.727 0.299 . . . . 0.0 110.842 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 825' ' ' PHE . . . . . 0.586 ' HB3' ' HB3' ' A' ' 817' ' ' LYS . 68.9 m-85 -93.93 107.99 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 826' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -91.27 156.53 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.16 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 827' ' ' VAL . . . . . . . . . . . . . 2.8 t -71.82 148.87 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.091 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 828' ' ' LEU . . . . . 0.721 HD12 ' HB3' ' A' ' 833' ' ' ASP . 0.5 OUTLIER -141.97 96.31 2.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.793 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 829' ' ' GLY . . . . . . . . . . . . . . . -138.21 29.93 2.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.561 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 830' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.96 155.63 43.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.741 0.305 . . . . 0.0 110.933 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 831' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -64.18 -35.69 81.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 832' ' ' GLU . . . . . 0.544 ' O ' HG23 ' A' ' 836' ' ' VAL . 4.2 tm-20 -67.81 -39.2 84.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 833' ' ' ASP . . . . . 0.721 ' HB3' HD12 ' A' ' 828' ' ' LEU . 0.7 OUTLIER -54.82 -40.6 69.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.653 179.811 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 834' ' ' TRP . . . . . . . . . . . . . 33.9 t-105 -69.25 -36.75 77.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.385 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 835' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -61.17 -43.27 99.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.701 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 836' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 832' ' ' GLU . 5.3 t -70.43 -27.21 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.764 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 837' ' ' ALA . . . . . . . . . . . . . . . -63.64 -44.91 92.49 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.723 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 838' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -64.47 -42.9 95.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.43 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 839' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.34 -20.3 66.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.535 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 840' ' ' MET . . . . . 0.416 ' O ' ' HB2' ' A' ' 844' ' ' ASN . 25.9 ttp -71.18 -53.1 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.38 179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 841' ' ' LEU . . . . . 0.838 HD21 HD13 ' A' ' 849' ' ' LEU . 10.0 mt -72.87 -14.19 61.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.473 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 842' ' ' ALA . . . . . . . . . . . . . . . -72.86 -62.97 1.27 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.141 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 843' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -65.01 -36.91 85.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.94 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 844' ' ' ASN . . . . . 0.461 HD21 ' HG2' ' A' ' 821' ' ' GLU . 30.3 m-20 -76.06 -6.64 52.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 845' ' ' ASN . . . . . . . . . . . . . 24.3 t30 57.56 24.84 10.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.666 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 846' ' ' GLU . . . . . 0.506 ' HB2' ' HA ' ' A' ' 841' ' ' LEU . 0.5 OUTLIER -66.29 -174.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.932 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 847' ' ' LYS . . . . . . . . . . . . . 3.3 tptm -147.7 -30.48 0.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 848' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -128.4 169.66 14.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.924 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 849' ' ' LEU . . . . . 0.838 HD13 HD21 ' A' ' 841' ' ' LEU . 13.1 tp -152.1 135.3 15.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 850' ' ' ASN . . . . . 0.41 ' O ' HD13 ' A' ' 851' ' ' ILE . 2.4 m-80 -86.61 127.26 34.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 851' ' ' ILE . . . . . 0.41 HD13 ' O ' ' A' ' 850' ' ' ASN . 5.7 mm -123.82 145.78 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 852' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -118.57 143.1 47.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.815 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 853' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.21 148.95 21.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.828 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 854' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.372 -0.823 . . . . 0.0 111.119 -179.66 . . . . . . . . 0 0 . 1 stop_ save_