data_nef_c34350_6qeu save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6QEU stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 8 CYS SG 1 38 CYS SG 1 15 CYS SG 1 31 CYS SG 1 21 CYS SG 1 39 CYS SG 1 49 CYS SG 1 78 CYS SG 1 56 CYS SG 1 71 CYS SG 1 63 CYS SG 1 79 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 LEU start . . 2 A 2 PRO middle . false 3 A 3 ARG middle . . 4 A 4 ASP middle . . 5 A 5 THR middle . . 6 A 6 SER middle . . 7 A 7 ARG middle . . 8 A 8 CYS middle -HG . 9 A 9 VAL middle . . 10 A 10 GLY middle . false 11 A 11 TYR middle . . 12 A 12 HIS middle . . 13 A 13 GLY middle . false 14 A 14 TYR middle . . 15 A 15 CYS middle -HG . 16 A 16 ILE middle . . 17 A 17 ARG middle . . 18 A 18 SER middle . . 19 A 19 LYS middle . . 20 A 20 VAL middle . . 21 A 21 CYS middle -HG . 22 A 22 PRO middle . false 23 A 23 LYS middle . . 24 A 24 PRO middle . true 25 A 25 PHE middle . . 26 A 26 ALA middle . . 27 A 27 ALA middle . . 28 A 28 PHE middle . . 29 A 29 GLY middle . false 30 A 30 THR middle . . 31 A 31 CYS middle -HG . 32 A 32 SER middle . . 33 A 33 TRP middle . . 34 A 34 ARG middle . . 35 A 35 GLN middle . . 36 A 36 LYS middle . . 37 A 37 THR middle . . 38 A 38 CYS middle -HG . 39 A 39 CYS middle -HG . 40 A 40 VAL middle . . 41 A 41 ASP middle . . 42 A 42 THR middle . . 43 A 43 THR middle . . 44 A 44 SER middle . . 45 A 45 ASP middle . . 46 A 46 PHE middle . . 47 A 47 HIS middle . . 48 A 48 THR middle . . 49 A 49 CYS middle -HG . 50 A 50 GLN middle . . 51 A 51 ASP middle . . 52 A 52 LYS middle . . 53 A 53 GLY middle . false 54 A 54 GLY middle . false 55 A 55 HIS middle . . 56 A 56 CYS middle -HG . 57 A 57 VAL middle . . 58 A 58 SER middle . . 59 A 59 PRO middle . false 60 A 60 LYS middle . . 61 A 61 ILE middle . . 62 A 62 ARG middle . . 63 A 63 CYS middle -HG . 64 A 64 LEU middle . . 65 A 65 GLU middle . . 66 A 66 GLU middle . . 67 A 67 GLN middle . . 68 A 68 LEU middle . . 69 A 69 GLY middle . false 70 A 70 LEU middle . . 71 A 71 CYS middle -HG . 72 A 72 PRO middle . false 73 A 73 LEU middle . . 74 A 74 LYS middle . . 75 A 75 ARG middle . . 76 A 76 TRP middle . . 77 A 77 THR middle . . 78 A 78 CYS middle -HG . 79 A 79 CYS middle -HG . 80 A 80 LYS middle . . 81 A 81 GLU middle . . 82 A 82 ILE end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 LEU HA H 1 4.283 0.000 A 1 LEU HB2 H 1 1.656 0.000 A 1 LEU HB3 H 1 1.455 0.000 A 1 LEU HD1% H 1 0.881 0.000 A 1 LEU HD2% H 1 0.887 0.000 A 1 LEU HG H 1 1.620 0.000 A 2 PRO HA H 1 4.027 0.000 A 2 PRO HB2 H 1 1.548 0.000 A 2 PRO HB3 H 1 0.765 0.000 A 2 PRO HD2 H 1 3.215 0.000 A 2 PRO HD3 H 1 3.726 0.000 A 2 PRO HG2 H 1 1.317 0.000 A 2 PRO HG3 H 1 1.656 0.000 A 3 ARG H H 1 7.471 0.000 A 3 ARG HA H 1 3.956 0.000 A 3 ARG HB2 H 1 1.904 0.000 A 3 ARG HB3 H 1 1.786 0.000 A 3 ARG HD2 H 1 3.273 0.000 A 3 ARG HD3 H 1 3.273 0.000 A 3 ARG HE H 1 7.282 0.000 A 3 ARG HG2 H 1 1.657 0.000 A 3 ARG HG3 H 1 1.656 0.000 A 4 ASP H H 1 8.464 0.000 A 4 ASP HA H 1 4.264 0.000 A 4 ASP HB2 H 1 2.746 0.000 A 4 ASP HB3 H 1 2.530 0.000 A 4 ASP N N 15 117.439 0.000 A 5 THR H H 1 7.474 0.000 A 5 THR HA H 1 3.955 0.000 A 5 THR HB H 1 4.101 0.000 A 5 THR HG2% H 1 1.266 0.000 A 5 THR N N 15 119.181 0.000 A 6 SER H H 1 8.220 0.000 A 6 SER HA H 1 3.928 0.000 A 6 SER HB2 H 1 3.824 0.000 A 6 SER HB3 H 1 3.824 0.000 A 6 SER N N 15 115.339 0.000 A 7 ARG H H 1 7.796 0.000 A 7 ARG HA H 1 3.979 0.000 A 7 ARG HB2 H 1 1.950 0.000 A 7 ARG HB3 H 1 1.950 0.000 A 7 ARG HD2 H 1 3.220 0.000 A 7 ARG HD3 H 1 3.220 0.000 A 7 ARG HE H 1 7.279 0.000 A 7 ARG HG2 H 1 1.626 0.000 A 7 ARG HG3 H 1 1.730 0.000 A 7 ARG N N 15 123.284 0.000 A 8 CYS H H 1 8.167 0.000 A 8 CYS HA H 1 4.344 0.000 A 8 CYS HB2 H 1 3.020 0.000 A 8 CYS HB3 H 1 3.092 0.000 A 8 CYS N N 15 119.225 0.000 A 9 VAL H H 1 8.518 0.000 A 9 VAL HA H 1 3.806 0.000 A 9 VAL HB H 1 2.094 0.000 A 9 VAL HG1% H 1 0.917 0.000 A 9 VAL HG2% H 1 0.968 0.000 A 9 VAL N N 15 118.108 0.000 A 10 GLY H H 1 8.018 0.000 A 10 GLY HA2 H 1 3.818 0.000 A 10 GLY HA3 H 1 3.817 0.000 A 10 GLY N N 15 111.387 0.000 A 11 TYR H H 1 7.422 0.000 A 11 TYR HA H 1 4.629 0.000 A 11 TYR HB2 H 1 3.361 0.000 A 11 TYR HB3 H 1 2.841 0.000 A 11 TYR HD1 H 1 7.178 0.000 A 11 TYR HD2 H 1 7.178 0.000 A 11 TYR HE1 H 1 6.790 0.000 A 11 TYR HE2 H 1 6.790 0.000 A 11 TYR N N 15 119.215 0.000 A 12 HIS H H 1 8.226 0.000 A 12 HIS HA H 1 4.412 0.000 A 12 HIS HB2 H 1 3.567 0.000 A 12 HIS HB3 H 1 3.590 0.000 A 12 HIS HD2 H 1 7.243 0.000 A 12 HIS HE1 H 1 8.493 0.000 A 12 HIS N N 15 113.471 0.000 A 13 GLY H H 1 8.308 0.000 A 13 GLY HA2 H 1 4.808 0.000 A 13 GLY HA3 H 1 3.591 0.000 A 13 GLY N N 15 106.705 0.000 A 14 TYR H H 1 8.574 0.000 A 14 TYR HA H 1 4.840 0.000 A 14 TYR HB2 H 1 2.814 0.000 A 14 TYR HB3 H 1 2.814 0.000 A 14 TYR HD1 H 1 6.770 0.000 A 14 TYR HD2 H 1 6.770 0.000 A 14 TYR HE1 H 1 5.931 0.000 A 14 TYR HE2 H 1 5.931 0.000 A 14 TYR N N 15 115.781 0.000 A 15 CYS H H 1 8.544 0.000 A 15 CYS HA H 1 5.484 0.000 A 15 CYS HB2 H 1 2.509 0.000 A 15 CYS HB3 H 1 2.874 0.000 A 15 CYS N N 15 120.366 0.000 A 16 ILE H H 1 9.266 0.000 A 16 ILE HA H 1 4.826 0.000 A 16 ILE HB H 1 1.906 0.000 A 16 ILE HD1% H 1 0.763 0.000 A 16 ILE HG12 H 1 0.976 0.000 A 16 ILE HG13 H 1 1.567 0.000 A 16 ILE HG2% H 1 0.837 0.000 A 16 ILE N N 15 119.951 0.000 A 17 ARG H H 1 8.748 0.000 A 17 ARG HA H 1 4.426 0.000 A 17 ARG HB2 H 1 1.972 0.000 A 17 ARG HB3 H 1 1.720 0.000 A 17 ARG HD2 H 1 3.244 0.000 A 17 ARG HD3 H 1 3.244 0.000 A 17 ARG HE H 1 7.246 0.000 A 17 ARG HG2 H 1 1.644 0.000 A 17 ARG HG3 H 1 1.644 0.000 A 17 ARG N N 15 123.429 0.000 A 18 SER H H 1 7.547 0.000 A 18 SER HA H 1 4.418 0.000 A 18 SER HB2 H 1 3.995 0.000 A 18 SER HB3 H 1 3.736 0.000 A 18 SER N N 15 114.746 0.000 A 19 LYS H H 1 8.361 0.000 A 19 LYS HA H 1 4.258 0.000 A 19 LYS HB2 H 1 1.746 0.000 A 19 LYS HB3 H 1 1.922 0.000 A 19 LYS HD2 H 1 1.630 0.000 A 19 LYS HD3 H 1 1.630 0.000 A 19 LYS HE2 H 1 2.965 0.000 A 19 LYS HE3 H 1 2.965 0.000 A 19 LYS HG2 H 1 1.426 0.000 A 19 LYS HG3 H 1 1.506 0.000 A 19 LYS N N 15 119.931 0.000 A 20 VAL H H 1 7.672 0.000 A 20 VAL HA H 1 4.254 0.000 A 20 VAL HB H 1 1.915 0.000 A 20 VAL HG1% H 1 0.834 0.000 A 20 VAL HG2% H 1 0.866 0.000 A 20 VAL N N 15 116.065 0.000 A 21 CYS H H 1 8.670 0.000 A 21 CYS HA H 1 4.674 0.000 A 21 CYS HB2 H 1 2.539 0.000 A 21 CYS HB3 H 1 2.539 0.000 A 21 CYS N N 15 124.414 0.000 A 22 PRO HA H 1 4.560 0.000 A 22 PRO HB2 H 1 2.216 0.000 A 22 PRO HB3 H 1 2.009 0.000 A 22 PRO HD2 H 1 3.657 0.000 A 22 PRO HD3 H 1 3.762 0.000 A 22 PRO HG2 H 1 2.179 0.000 A 22 PRO HG3 H 1 2.056 0.000 A 23 LYS H H 1 8.549 0.000 A 23 LYS HA H 1 4.428 0.000 A 23 LYS HB2 H 1 1.774 0.000 A 23 LYS HB3 H 1 1.774 0.000 A 23 LYS HD2 H 1 1.623 0.000 A 23 LYS HD3 H 1 1.623 0.000 A 23 LYS HE2 H 1 3.005 0.000 A 23 LYS HE3 H 1 3.005 0.000 A 23 LYS HG2 H 1 1.486 0.000 A 23 LYS HG3 H 1 1.486 0.000 A 23 LYS N N 15 123.189 0.000 A 24 PRO HA H 1 4.593 0.000 A 24 PRO HB2 H 1 1.159 0.000 A 24 PRO HB3 H 1 1.794 0.000 A 24 PRO HD2 H 1 3.277 0.000 A 24 PRO HD3 H 1 3.444 0.000 A 24 PRO HG2 H 1 2.344 0.000 A 24 PRO HG3 H 1 1.928 0.000 A 25 PHE H H 1 9.374 0.000 A 25 PHE HA H 1 4.698 0.000 A 25 PHE HB2 H 1 3.439 0.000 A 25 PHE HB3 H 1 2.716 0.000 A 25 PHE HD1 H 1 7.052 0.000 A 25 PHE HD2 H 1 7.052 0.000 A 25 PHE HE1 H 1 7.463 0.000 A 25 PHE HE2 H 1 7.463 0.000 A 25 PHE HZ H 1 7.354 0.000 A 25 PHE N N 15 125.922 0.000 A 26 ALA H H 1 9.125 0.000 A 26 ALA HA H 1 4.617 0.000 A 26 ALA HB% H 1 1.369 0.000 A 26 ALA N N 15 121.685 0.000 A 27 ALA H H 1 8.300 0.000 A 27 ALA HA H 1 4.760 0.000 A 27 ALA HB% H 1 1.377 0.000 A 27 ALA N N 15 124.699 0.000 A 28 PHE H H 1 9.256 0.000 A 28 PHE HA H 1 4.629 0.000 A 28 PHE HB2 H 1 2.666 0.000 A 28 PHE HB3 H 1 2.897 0.000 A 28 PHE HD1 H 1 7.010 0.000 A 28 PHE HD2 H 1 7.010 0.000 A 28 PHE HE1 H 1 6.835 0.000 A 28 PHE HE2 H 1 6.835 0.000 A 28 PHE HZ H 1 6.869 0.000 A 28 PHE N N 15 128.829 0.000 A 29 GLY H H 1 8.220 0.000 A 29 GLY HA2 H 1 4.257 0.000 A 29 GLY HA3 H 1 3.747 0.000 A 29 GLY N N 15 109.865 0.000 A 30 THR H H 1 8.073 0.000 A 30 THR HA H 1 4.997 0.000 A 30 THR HB H 1 4.485 0.000 A 30 THR HG2% H 1 1.050 0.000 A 30 THR N N 15 110.363 0.000 A 31 CYS H H 1 7.831 0.000 A 31 CYS HA H 1 4.316 0.000 A 31 CYS HB3 H 1 3.018 0.000 A 31 CYS N N 15 111.581 0.000 A 32 SER H H 1 8.205 0.000 A 32 SER HA H 1 4.138 0.000 A 32 SER HB2 H 1 3.422 0.000 A 32 SER HB3 H 1 3.592 0.000 A 32 SER N N 15 112.387 0.000 A 33 TRP HA H 1 4.214 0.000 A 33 TRP HB2 H 1 3.248 0.000 A 33 TRP HB3 H 1 3.556 0.000 A 33 TRP HD1 H 1 7.246 0.000 A 33 TRP HE1 H 1 10.268 0.000 A 33 TRP HE3 H 1 7.587 0.000 A 33 TRP HH2 H 1 7.283 0.000 A 33 TRP HZ2 H 1 7.584 0.000 A 33 TRP HZ3 H 1 7.163 0.000 A 33 TRP NE1 N 15 129.143 0.000 A 34 ARG H H 1 9.222 0.000 A 34 ARG HA H 1 3.576 0.000 A 34 ARG HB2 H 1 2.080 0.000 A 34 ARG HB3 H 1 2.321 0.000 A 34 ARG HD2 H 1 3.213 0.000 A 34 ARG HD3 H 1 3.213 0.000 A 34 ARG HE H 1 7.199 0.000 A 34 ARG HG2 H 1 1.464 0.000 A 34 ARG HG3 H 1 1.602 0.000 A 35 GLN H H 1 7.825 0.000 A 35 GLN HA H 1 4.288 0.000 A 35 GLN HB2 H 1 2.093 0.000 A 35 GLN HB3 H 1 2.306 0.000 A 35 GLN HE21 H 1 7.604 0.000 A 35 GLN HE22 H 1 6.927 0.000 A 35 GLN HG2 H 1 2.506 0.000 A 35 GLN HG3 H 1 2.709 0.000 A 35 GLN N N 15 117.848 0.000 A 36 LYS H H 1 8.203 0.000 A 36 LYS HA H 1 4.743 0.000 A 36 LYS HB2 H 1 1.805 0.000 A 36 LYS HB3 H 1 1.181 0.000 A 36 LYS HD2 H 1 1.455 0.000 A 36 LYS HD3 H 1 1.455 0.000 A 36 LYS HE2 H 1 2.845 0.000 A 36 LYS HE3 H 1 2.788 0.000 A 36 LYS HG2 H 1 1.294 0.000 A 36 LYS HG3 H 1 1.294 0.000 A 36 LYS N N 15 117.058 0.000 A 37 THR H H 1 9.017 0.000 A 37 THR HA H 1 4.183 0.000 A 37 THR HB H 1 3.966 0.000 A 37 THR HG2% H 1 1.072 0.000 A 37 THR N N 15 121.552 0.000 A 38 CYS H H 1 7.754 0.000 A 38 CYS HA H 1 4.841 0.000 A 38 CYS HB2 H 1 2.960 0.000 A 38 CYS HB3 H 1 2.430 0.000 A 38 CYS N N 15 124.648 0.000 A 39 CYS H H 1 9.331 0.000 A 39 CYS HA H 1 5.309 0.000 A 39 CYS HB2 H 1 2.500 0.000 A 39 CYS HB3 H 1 1.752 0.000 A 39 CYS N N 15 128.483 0.000 A 40 VAL H H 1 9.177 0.000 A 40 VAL HA H 1 4.646 0.000 A 40 VAL HB H 1 1.863 0.000 A 40 VAL HG1% H 1 0.806 0.000 A 40 VAL HG2% H 1 0.770 0.000 A 40 VAL N N 15 119.062 0.000 A 41 ASP H H 1 8.899 0.000 A 41 ASP HA H 1 4.247 0.000 A 41 ASP HB2 H 1 2.012 0.000 A 41 ASP HB3 H 1 2.690 0.000 A 41 ASP N N 15 125.484 0.000 A 42 THR H H 1 8.179 0.000 A 42 THR HA H 1 4.360 0.000 A 42 THR HB H 1 4.235 0.000 A 42 THR HG2% H 1 1.089 0.000 A 42 THR N N 15 117.033 0.000 A 43 THR H H 1 8.492 0.000 A 43 THR HA H 1 4.162 0.000 A 43 THR HB H 1 4.163 0.000 A 43 THR HG2% H 1 1.159 0.000 A 43 THR N N 15 115.777 0.000 A 44 SER H H 1 7.836 0.000 A 44 SER HA H 1 4.286 0.000 A 44 SER HB2 H 1 3.651 0.000 A 44 SER HB3 H 1 3.710 0.000 A 44 SER N N 15 116.706 0.000 A 45 ASP H H 1 7.973 0.000 A 45 ASP HA H 1 4.496 0.000 A 45 ASP HB2 H 1 2.440 0.000 A 45 ASP HB3 H 1 2.610 0.000 A 45 ASP N N 15 121.268 0.000 A 46 PHE H H 1 7.972 0.000 A 46 PHE HA H 1 4.530 0.000 A 46 PHE HB2 H 1 3.019 0.000 A 46 PHE HB3 H 1 2.832 0.000 A 46 PHE HD1 H 1 7.058 0.000 A 46 PHE HD2 H 1 7.058 0.000 A 46 PHE HE1 H 1 7.139 0.000 A 46 PHE HE2 H 1 7.139 0.000 A 46 PHE HZ H 1 7.087 0.000 A 46 PHE N N 15 120.653 0.000 A 47 HIS H H 1 8.218 0.000 A 47 HIS HA H 1 4.775 0.000 A 47 HIS HB2 H 1 3.221 0.000 A 47 HIS HB3 H 1 3.105 0.000 A 47 HIS HD2 H 1 7.233 0.000 A 47 HIS HE1 H 1 8.574 0.000 A 47 HIS N N 15 117.990 0.000 A 48 THR HA H 1 4.338 0.000 A 48 THR HB H 1 4.609 0.000 A 48 THR HG2% H 1 1.289 0.000 A 49 CYS H H 1 8.712 0.000 A 49 CYS HA H 1 4.094 0.000 A 49 CYS HB2 H 1 2.829 0.000 A 49 CYS HB3 H 1 2.680 0.000 A 49 CYS N N 15 120.370 0.000 A 50 GLN H H 1 8.718 0.000 A 50 GLN HA H 1 4.175 0.000 A 50 GLN HB2 H 1 2.075 0.000 A 50 GLN HB3 H 1 2.001 0.000 A 50 GLN HE21 H 1 7.599 0.000 A 50 GLN HE22 H 1 6.788 0.000 A 50 GLN HG2 H 1 2.474 0.000 A 50 GLN HG3 H 1 2.388 0.000 A 50 GLN N N 15 118.161 0.000 A 51 ASP H H 1 8.015 0.000 A 51 ASP HA H 1 4.408 0.000 A 51 ASP HB2 H 1 2.952 0.000 A 51 ASP HB3 H 1 2.701 0.000 A 51 ASP N N 15 121.653 0.000 A 52 LYS H H 1 7.318 0.000 A 52 LYS HA H 1 4.360 0.000 A 52 LYS HB2 H 1 1.724 0.000 A 52 LYS HB3 H 1 2.004 0.000 A 52 LYS HD2 H 1 1.506 0.000 A 52 LYS HD3 H 1 1.507 0.000 A 52 LYS HE2 H 1 2.739 0.000 A 52 LYS HE3 H 1 2.837 0.000 A 52 LYS HG2 H 1 1.349 0.000 A 52 LYS HG3 H 1 1.502 0.000 A 52 LYS N N 15 116.427 0.000 A 53 GLY H H 1 7.839 0.000 A 53 GLY HA2 H 1 3.802 0.000 A 53 GLY HA3 H 1 4.141 0.000 A 53 GLY N N 15 107.792 0.000 A 54 GLY H H 1 7.835 0.000 A 54 GLY HA2 H 1 4.414 0.000 A 54 GLY HA3 H 1 3.214 0.000 A 54 GLY N N 15 107.022 0.000 A 55 HIS H H 1 8.574 0.000 A 55 HIS HA H 1 4.806 0.000 A 55 HIS HB2 H 1 3.143 0.000 A 55 HIS HB3 H 1 2.940 0.000 A 55 HIS HD2 H 1 7.131 0.000 A 55 HIS HE1 H 1 8.548 0.000 A 55 HIS N N 15 114.514 0.000 A 56 CYS H H 1 9.125 0.000 A 56 CYS HA H 1 5.460 0.000 A 56 CYS HB2 H 1 3.329 0.000 A 56 CYS HB3 H 1 3.185 0.000 A 56 CYS N N 15 124.923 0.000 A 57 VAL H H 1 9.573 0.000 A 57 VAL HA H 1 4.658 0.000 A 57 VAL HB H 1 1.997 0.000 A 57 VAL HG1% H 1 0.841 0.000 A 57 VAL HG2% H 1 0.841 0.000 A 57 VAL N N 15 120.594 0.000 A 58 SER H H 1 7.298 0.000 A 58 SER HA H 1 2.193 0.000 A 58 SER HB2 H 1 2.829 0.000 A 58 SER HB3 H 1 3.429 0.000 A 58 SER N N 15 119.447 0.000 A 59 PRO HA H 1 4.395 0.000 A 59 PRO HB2 H 1 2.325 0.000 A 59 PRO HB3 H 1 2.325 0.000 A 59 PRO HD2 H 1 2.730 0.000 A 59 PRO HD3 H 1 3.255 0.000 A 59 PRO HG2 H 1 1.795 0.000 A 59 PRO HG3 H 1 1.795 0.000 A 60 LYS H H 1 7.534 0.000 A 60 LYS HA H 1 4.049 0.000 A 60 LYS HB2 H 1 1.791 0.000 A 60 LYS HB3 H 1 1.497 0.000 A 60 LYS HD2 H 1 1.578 0.000 A 60 LYS HD3 H 1 1.578 0.000 A 60 LYS HE2 H 1 2.917 0.000 A 60 LYS HE3 H 1 2.917 0.000 A 60 LYS HG2 H 1 1.303 0.000 A 60 LYS HG3 H 1 1.303 0.000 A 60 LYS N N 15 115.500 0.000 A 61 ILE H H 1 7.610 0.000 A 61 ILE HA H 1 4.017 0.000 A 61 ILE HB H 1 1.877 0.000 A 61 ILE HD1% H 1 0.674 0.000 A 61 ILE HG12 H 1 1.166 0.000 A 61 ILE HG13 H 1 1.222 0.000 A 61 ILE HG2% H 1 0.756 0.000 A 61 ILE N N 15 122.005 0.000 A 62 ARG H H 1 8.275 0.000 A 62 ARG HA H 1 4.240 0.000 A 62 ARG HB2 H 1 1.691 0.000 A 62 ARG HB3 H 1 1.691 0.000 A 62 ARG HD2 H 1 3.127 0.000 A 62 ARG HD3 H 1 3.127 0.000 A 62 ARG HE H 1 7.136 0.000 A 62 ARG HG2 H 1 1.570 0.000 A 62 ARG HG3 H 1 1.433 0.000 A 62 ARG N N 15 125.942 0.000 A 63 CYS H H 1 8.825 0.000 A 63 CYS HA H 1 4.715 0.000 A 63 CYS HB2 H 1 2.638 0.000 A 63 CYS HB3 H 1 3.101 0.000 A 63 CYS N N 15 124.892 0.000 A 64 LEU H H 1 8.916 0.000 A 64 LEU HA H 1 4.201 0.000 A 64 LEU HB2 H 1 1.644 0.000 A 64 LEU HB3 H 1 1.553 0.000 A 64 LEU HD1% H 1 0.812 0.000 A 64 LEU HD2% H 1 0.889 0.000 A 64 LEU HG H 1 1.640 0.000 A 64 LEU N N 15 128.963 0.000 A 65 GLU H H 1 7.745 0.000 A 65 GLU HA H 1 4.516 0.000 A 65 GLU HB2 H 1 1.917 0.000 A 65 GLU HB3 H 1 1.917 0.000 A 65 GLU HG2 H 1 2.183 0.000 A 65 GLU HG3 H 1 2.274 0.000 A 65 GLU N N 15 118.390 0.000 A 66 GLU H H 1 8.843 0.000 A 66 GLU HA H 1 4.690 0.000 A 66 GLU HB2 H 1 1.915 0.000 A 66 GLU HB3 H 1 2.064 0.000 A 66 GLU HG2 H 1 2.234 0.000 A 66 GLU HG3 H 1 2.319 0.000 A 66 GLU N N 15 127.463 0.000 A 67 GLN H H 1 8.432 0.000 A 67 GLN HA H 1 4.706 0.000 A 67 GLN HB2 H 1 1.862 0.000 A 67 GLN HB3 H 1 1.864 0.000 A 67 GLN HE21 H 1 7.143 0.000 A 67 GLN HE22 H 1 6.680 0.000 A 67 GLN HG2 H 1 1.931 0.000 A 67 GLN HG3 H 1 2.125 0.000 A 67 GLN N N 15 120.372 0.000 A 68 LEU H H 1 8.275 0.000 A 68 LEU HA H 1 4.234 0.000 A 68 LEU HB2 H 1 1.399 0.000 A 68 LEU HB3 H 1 1.399 0.000 A 68 LEU HD1% H 1 0.655 0.000 A 68 LEU HD2% H 1 0.699 0.000 A 68 LEU HG H 1 1.392 0.000 A 68 LEU N N 15 123.862 0.000 A 69 GLY H H 1 7.903 0.000 A 69 GLY HA2 H 1 3.928 0.000 A 69 GLY HA3 H 1 3.710 0.000 A 69 GLY N N 15 109.998 0.000 A 70 LEU H H 1 8.196 0.000 A 70 LEU HA H 1 4.496 0.000 A 70 LEU HB2 H 1 1.573 0.000 A 70 LEU HB3 H 1 1.510 0.000 A 70 LEU HD1% H 1 0.814 0.000 A 70 LEU HD2% H 1 0.813 0.000 A 70 LEU HG H 1 1.450 0.000 A 70 LEU N N 15 121.948 0.000 A 71 CYS H H 1 9.015 0.000 A 71 CYS HA H 1 5.039 0.000 A 71 CYS HB2 H 1 3.555 0.000 A 71 CYS HB3 H 1 2.884 0.000 A 71 CYS N N 15 123.681 0.000 A 72 PRO HA H 1 4.185 0.000 A 72 PRO HB2 H 1 2.114 0.000 A 72 PRO HB3 H 1 1.788 0.000 A 72 PRO HD2 H 1 3.741 0.000 A 72 PRO HD3 H 1 3.837 0.000 A 72 PRO HG2 H 1 1.932 0.000 A 72 PRO HG3 H 1 1.792 0.000 A 73 LEU H H 1 7.226 0.000 A 73 LEU HA H 1 4.454 0.000 A 73 LEU HB2 H 1 0.854 0.000 A 73 LEU HB3 H 1 0.391 0.000 A 73 LEU HD1% H 1 -0.035 0.000 A 73 LEU HD2% H 1 0.571 0.000 A 73 LEU HG H 1 0.965 0.000 A 73 LEU N N 15 117.734 0.000 A 74 LYS H H 1 8.376 0.000 A 74 LYS HA H 1 4.057 0.000 A 74 LYS HB2 H 1 1.798 0.000 A 74 LYS HB3 H 1 1.799 0.000 A 74 LYS HD2 H 1 1.577 0.000 A 74 LYS HD3 H 1 1.490 0.000 A 74 LYS HE2 H 1 2.987 0.000 A 74 LYS HE3 H 1 2.987 0.000 A 74 LYS HG2 H 1 1.300 0.000 A 74 LYS HG3 H 1 1.300 0.000 A 74 LYS N N 15 123.519 0.000 A 75 ARG H H 1 8.744 0.000 A 75 ARG HA H 1 3.961 0.000 A 75 ARG HB2 H 1 2.074 0.000 A 75 ARG HB3 H 1 2.332 0.000 A 75 ARG HD2 H 1 3.250 0.000 A 75 ARG HD3 H 1 3.250 0.000 A 75 ARG HE H 1 7.243 0.000 A 75 ARG HG2 H 1 1.649 0.000 A 75 ARG HG3 H 1 1.647 0.000 A 75 ARG N N 15 114.598 0.000 A 76 TRP H H 1 7.857 0.000 A 76 TRP HA H 1 4.698 0.000 A 76 TRP HB2 H 1 3.129 0.000 A 76 TRP HB3 H 1 3.086 0.000 A 76 TRP HD1 H 1 7.326 0.000 A 76 TRP HE1 H 1 10.505 0.000 A 76 TRP HE3 H 1 7.014 0.000 A 76 TRP HH2 H 1 7.223 0.000 A 76 TRP HZ2 H 1 7.501 0.000 A 76 TRP HZ3 H 1 7.090 0.000 A 76 TRP N N 15 121.490 0.000 A 76 TRP NE1 N 15 131.573 0.000 A 77 THR H H 1 8.857 0.000 A 77 THR HA H 1 4.495 0.000 A 77 THR HB H 1 3.872 0.000 A 77 THR HG2% H 1 1.162 0.000 A 77 THR N N 15 118.098 0.000 A 78 CYS H H 1 9.127 0.000 A 78 CYS HA H 1 4.762 0.000 A 78 CYS HB2 H 1 3.436 0.000 A 78 CYS HB3 H 1 2.967 0.000 A 78 CYS N N 15 125.619 0.000 A 79 CYS H H 1 9.192 0.000 A 79 CYS HA H 1 5.043 0.000 A 79 CYS HB2 H 1 3.107 0.000 A 79 CYS HB3 H 1 2.649 0.000 A 79 CYS N N 15 130.010 0.000 A 80 LYS H H 1 8.894 0.000 A 80 LYS HA H 1 4.324 0.000 A 80 LYS HB2 H 1 1.636 0.000 A 80 LYS HB3 H 1 1.735 0.000 A 80 LYS HD2 H 1 1.592 0.000 A 80 LYS HD3 H 1 1.592 0.000 A 80 LYS HE2 H 1 2.948 0.000 A 80 LYS HE3 H 1 2.947 0.000 A 80 LYS HG2 H 1 1.375 0.000 A 80 LYS HG3 H 1 1.375 0.000 A 80 LYS N N 15 127.388 0.000 A 81 GLU H H 1 7.948 0.000 A 81 GLU HA H 1 4.526 0.000 A 81 GLU HB2 H 1 2.047 0.000 A 81 GLU HB3 H 1 1.878 0.000 A 81 GLU HG2 H 1 2.296 0.000 A 81 GLU HG3 H 1 2.251 0.000 A 81 GLU N N 15 119.624 0.000 A 82 ILE H H 1 7.922 0.000 A 82 ILE HA H 1 4.065 0.000 A 82 ILE HB H 1 1.733 0.000 A 82 ILE HD1% H 1 0.770 0.000 A 82 ILE HG12 H 1 0.962 0.000 A 82 ILE HG13 H 1 1.336 0.000 A 82 ILE HG2% H 1 0.798 0.000 A 82 ILE N N 15 126.769 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 67 GLN HE21 A 67 GLN HB3 1.0 1.966 4.988 2 1 A 67 GLN HE21 A 67 GLN HB2 1.0 1.966 4.988 3 2 A 79 CYS H A 80 LYS H 1.0 1.976 5.140 4 2 A 40 VAL H A 41 ASP H 1.0 1.976 5.140 5 3 A 40 VAL H A 13 GLY H 1.0 2.000 5.930 6 3 A 40 VAL H A 27 ALA H 1.0 2.000 5.930 7 4 A 37 THR H A 36 LYS H 1.0 1.932 4.586 8 4 A 71 CYS H A 70 LEU H 1.0 1.932 4.586 9 5 A 4 ASP H A 6 SER H 1.0 1.978 5.184 10 5 A 4 ASP H A 32 SER H 1.0 1.978 5.184 11 6 A 76 TRP HE1 A 73 LEU H 1.0 1.998 5.792 12 6 A 76 TRP HE1 A 76 TRP HH2 1.0 1.998 5.792 13 7 A 4 ASP H A 3 ARG H 1.0 1.718 3.276 14 7 A 4 ASP H A 5 THR H 1.0 1.718 3.276 15 8 A 36 LYS H A 35 GLN H 1.0 1.614 2.872 16 8 A 32 SER H A 31 CYS H 1.0 1.614 2.872 17 9 A 47 HIS HD2 A 45 ASP H 1.0 2.000 5.980 18 9 A 46 PHE H A 47 HIS HD2 1.0 2.000 5.980 19 10 A 46 PHE H A 46 PHE HE2 1.0 1.999 6.125 20 10 A 46 PHE H A 46 PHE HE1 1.0 1.999 6.125 21 10 A 45 ASP H A 46 PHE HE1 1.0 1.999 6.125 22 10 A 45 ASP H A 46 PHE HE2 1.0 1.999 6.125 23 11 A 67 GLN HE22 A 53 GLY H 1.0 1.992 5.518 24 11 A 54 GLY H A 67 GLN HE22 1.0 1.992 5.518 25 12 A 78 CYS H A 79 CYS HA 1.0 2.000 5.948 26 12 A 78 CYS H A 71 CYS HA 1.0 2.000 5.948 27 13 A 66 GLU H A 66 GLU HA 1.0 1.603 2.831 28 13 A 77 THR H A 76 TRP HA 1.0 1.603 2.831 29 14 A 55 HIS H A 55 HIS HA 1.0 1.599 2.821 30 14 A 14 TYR H A 13 GLY HA3 1.0 1.599 2.821 31 15 A 37 THR HA A 16 ILE H 1.0 1.982 5.252 32 15 A 28 PHE H A 37 THR HA 1.0 1.982 5.252 33 16 A 28 PHE H A 29 GLY HA3 1.0 1.994 5.566 34 16 A 28 PHE H A 19 LYS HA 1.0 1.994 5.566 35 17 A 19 LYS HA A 21 CYS H 1.0 0.000 6.000 36 17 A 21 CYS H A 20 VAL HA 1.0 0.000 6.000 37 18 A 36 LYS H A 30 THR HA 1.0 1.955 4.845 38 18 A 32 SER H A 30 THR HA 1.0 1.955 4.845 39 19 A 46 PHE H A 45 ASP HA 1.0 1.540 2.624 40 19 A 45 ASP H A 45 ASP HA 1.0 1.540 2.624 41 20 A 35 GLN H A 35 GLN HA 1.0 1.633 2.941 42 20 A 44 SER H A 44 SER HA 1.0 1.633 2.941 43 21 A 62 ARG H A 62 ARG HA 1.0 1.649 3.001 44 21 A 68 LEU H A 68 LEU HA 1.0 1.649 3.001 45 22 A 44 SER H A 43 THR HA 1.0 0.000 6.000 46 22 A 44 SER H A 43 THR HB 1.0 0.000 6.000 47 23 A 20 VAL HA A 20 VAL H 1.0 1.639 2.965 48 23 A 19 LYS HA A 20 VAL H 1.0 1.639 2.965 49 24 A 18 SER H A 17 ARG HA 1.0 0.000 6.000 50 24 A 18 SER H A 18 SER HA 1.0 0.000 6.000 51 25 A 5 THR H A 4 ASP HA 1.0 1.894 4.266 52 25 A 41 ASP HA A 25 PHE HE2 1.0 1.894 4.266 53 25 A 25 PHE HE1 A 41 ASP HA 1.0 1.894 4.266 54 26 A 5 THR H A 5 THR HA 1.0 1.831 3.841 55 26 A 3 ARG H A 3 ARG HA 1.0 1.831 3.841 56 27 A 45 ASP H A 43 THR HA 1.0 1.947 4.743 57 27 A 45 ASP H A 43 THR HB 1.0 1.947 4.743 58 27 A 46 PHE H A 43 THR HA 1.0 1.947 4.743 59 28 A 28 PHE HD2 A 52 LYS HA 1.0 1.969 5.027 60 28 A 28 PHE HD1 A 52 LYS HA 1.0 1.969 5.027 61 28 A 48 THR HA A 28 PHE HD2 1.0 1.969 5.027 62 28 A 28 PHE HD1 A 48 THR HA 1.0 1.969 5.027 63 29 A 46 PHE HE1 A 42 THR HB 1.0 1.950 4.780 64 29 A 46 PHE HE2 A 42 THR HB 1.0 1.950 4.780 65 29 A 62 ARG HA A 62 ARG HE 1.0 1.950 4.780 66 30 A 3 ARG HA A 33 TRP HH2 1.0 1.974 5.114 67 30 A 3 ARG HA A 3 ARG HE 1.0 1.974 5.114 68 31 A 4 ASP H A 6 SER HB2 1.0 0.000 6.000 69 31 A 4 ASP H A 6 SER HB3 1.0 0.000 6.000 70 32 A 6 SER HB2 A 8 CYS H 1.0 0.000 6.000 71 32 A 6 SER HB3 A 8 CYS H 1.0 0.000 6.000 72 33 A 6 SER H A 6 SER HB3 1.0 1.510 2.532 73 33 A 6 SER H A 6 SER HB2 1.0 1.510 2.532 74 34 A 6 SER HB2 A 7 ARG H 1.0 1.746 3.400 75 34 A 6 SER HB3 A 7 ARG H 1.0 1.746 3.400 76 35 A 53 GLY H A 53 GLY HA2 1.0 1.569 2.719 77 35 A 54 GLY H A 53 GLY HA2 1.0 1.569 2.719 78 36 A 10 GLY H A 10 GLY HA3 1.0 1.473 2.419 79 36 A 10 GLY H A 10 GLY HA2 1.0 1.473 2.419 80 37 A 5 THR H A 6 SER HB3 1.0 1.995 5.581 81 37 A 5 THR H A 6 SER HB2 1.0 1.995 5.581 82 38 A 11 TYR H A 13 GLY HA2 1.0 1.994 5.570 83 38 A 11 TYR H A 12 HIS HB3 1.0 1.994 5.570 84 39 A 33 TRP HD1 A 2 PRO HD2 1.0 1.996 5.662 85 39 A 17 ARG HE A 18 SER HB2 1.0 1.996 5.662 86 40 A 25 PHE HZ A 25 PHE HB3 1.0 1.983 5.285 87 40 A 25 PHE HZ A 24 PRO HD3 1.0 1.983 5.285 88 41 A 25 PHE HE1 A 24 PRO HD3 1.0 1.853 3.979 89 41 A 25 PHE HE2 A 25 PHE HB3 1.0 1.853 3.979 90 41 A 25 PHE HE1 A 25 PHE HB3 1.0 1.853 3.979 91 41 A 25 PHE HE2 A 24 PRO HD3 1.0 1.853 3.979 92 42 A 32 SER HB3 A 33 TRP HZ2 1.0 1.958 4.888 93 42 A 33 TRP HE3 A 32 SER HB3 1.0 1.958 4.888 94 43 A 3 ARG HE A 3 ARG HD2 1.0 1.789 3.611 95 43 A 3 ARG HE A 3 ARG HD3 1.0 1.789 3.611 96 44 A 75 ARG HE A 75 ARG HD3 1.0 1.593 2.797 97 44 A 75 ARG HE A 75 ARG HD2 1.0 1.593 2.797 98 44 A 17 ARG HE A 17 ARG HD3 1.0 1.593 2.797 99 44 A 17 ARG HE A 17 ARG HD2 1.0 1.593 2.797 100 45 A 7 ARG HE A 7 ARG HD2 1.0 1.769 3.513 101 45 A 7 ARG HE A 7 ARG HD3 1.0 1.769 3.513 102 46 A 3 ARG HD2 A 33 TRP HZ3 1.0 1.942 4.702 103 46 A 3 ARG HD3 A 33 TRP HZ3 1.0 1.942 4.702 104 47 A 34 ARG HE A 34 ARG HD2 1.0 1.730 3.332 105 47 A 34 ARG HE A 34 ARG HD3 1.0 1.730 3.332 106 48 A 7 ARG HD2 A 11 TYR HE1 1.0 1.886 4.202 107 48 A 7 ARG HD2 A 11 TYR HE2 1.0 1.886 4.202 108 48 A 7 ARG HD3 A 11 TYR HE1 1.0 1.886 4.202 109 48 A 7 ARG HD3 A 11 TYR HE2 1.0 1.886 4.202 110 49 A 14 TYR HD2 A 14 TYR HB3 1.0 1.491 2.473 111 49 A 14 TYR HD1 A 14 TYR HB3 1.0 1.491 2.473 112 49 A 14 TYR HB2 A 14 TYR HD2 1.0 1.491 2.473 113 49 A 14 TYR HD1 A 14 TYR HB2 1.0 1.491 2.473 114 50 A 67 GLN HE22 A 49 CYS HB2 1.0 1.871 4.095 115 50 A 46 PHE HE1 A 46 PHE HB2 1.0 1.871 4.095 116 50 A 46 PHE HE2 A 46 PHE HB2 1.0 1.871 4.095 117 51 A 76 TRP HZ3 A 58 SER HB3 1.0 1.997 5.699 118 51 A 46 PHE HB2 A 46 PHE HZ 1.0 1.997 5.699 119 52 A 3 ARG H A 36 LYS HE3 1.0 1.992 5.502 120 52 A 5 THR H A 36 LYS HE3 1.0 1.992 5.502 121 53 A 8 CYS H A 7 ARG HD3 1.0 1.946 4.744 122 53 A 8 CYS H A 7 ARG HD2 1.0 1.946 4.744 123 54 A 7 ARG H A 7 ARG HD3 1.0 1.923 4.509 124 54 A 7 ARG H A 7 ARG HD2 1.0 1.923 4.509 125 55 A 31 CYS H A 8 CYS HB3 1.0 1.922 4.496 126 55 A 44 SER H A 46 PHE HB3 1.0 1.922 4.496 127 56 A 20 VAL H A 19 LYS HE2 1.0 1.996 5.662 128 56 A 20 VAL H A 19 LYS HE3 1.0 1.996 5.662 129 57 A 24 PRO HD3 A 23 LYS H 1.0 1.995 5.603 130 57 A 25 PHE HB3 A 23 LYS H 1.0 1.995 5.603 131 58 A 4 ASP H A 3 ARG HD2 1.0 1.991 5.485 132 58 A 4 ASP H A 3 ARG HD3 1.0 1.991 5.485 133 59 A 62 ARG H A 62 ARG HD2 1.0 1.960 4.900 134 59 A 62 ARG H A 62 ARG HD3 1.0 1.960 4.900 135 60 A 75 ARG HD2 A 75 ARG H 1.0 1.920 4.476 136 60 A 75 ARG HD3 A 75 ARG H 1.0 1.920 4.476 137 61 A 14 TYR HB2 A 39 CYS H 1.0 1.977 5.169 138 61 A 14 TYR HB3 A 39 CYS H 1.0 1.977 5.169 139 62 A 78 CYS HB2 A 49 CYS H 1.0 0.000 6.000 140 62 A 50 GLN H A 78 CYS HB2 1.0 0.000 6.000 141 63 A 14 TYR HB3 A 15 CYS H 1.0 1.649 2.999 142 63 A 14 TYR HB2 A 15 CYS H 1.0 1.649 2.999 143 64 A 14 TYR H A 14 TYR HB2 1.0 1.761 3.475 144 64 A 14 TYR H A 14 TYR HB3 1.0 1.761 3.475 145 65 A 50 GLN H A 49 CYS HB3 1.0 1.767 3.503 146 65 A 49 CYS H A 49 CYS HB3 1.0 1.767 3.503 147 66 A 32 SER H A 36 LYS HE3 1.0 1.946 4.732 148 66 A 36 LYS H A 36 LYS HE3 1.0 1.946 4.732 149 67 A 21 CYS H A 21 CYS HB2 1.0 1.607 2.849 150 67 A 21 CYS H A 21 CYS HB3 1.0 1.607 2.849 151 68 A 27 ALA H A 28 PHE HB2 1.0 0.000 6.000 152 68 A 13 GLY H A 28 PHE HB2 1.0 0.000 6.000 153 69 A 46 PHE H A 45 ASP HB3 1.0 1.747 3.409 154 69 A 45 ASP H A 45 ASP HB3 1.0 1.747 3.409 155 70 A 27 ALA H A 21 CYS HB2 1.0 1.824 3.804 156 70 A 27 ALA H A 21 CYS HB3 1.0 1.824 3.804 157 71 A 47 HIS H A 45 ASP HB2 1.0 1.987 5.365 158 71 A 29 GLY H A 38 CYS HB2 1.0 1.987 5.365 159 72 A 28 PHE HB2 A 28 PHE HZ 1.0 0.000 6.000 160 72 A 49 CYS HB3 A 28 PHE HZ 1.0 0.000 6.000 161 73 A 61 ILE H A 59 PRO HB2 1.0 1.963 4.957 162 73 A 61 ILE H A 59 PRO HB3 1.0 1.963 4.957 163 74 A 59 PRO HB2 A 60 LYS H 1.0 1.930 4.576 164 74 A 59 PRO HB3 A 60 LYS H 1.0 1.930 4.576 165 75 A 11 TYR HE2 A 7 ARG HB3 1.0 1.940 4.670 166 75 A 11 TYR HE1 A 7 ARG HB3 1.0 1.940 4.670 167 75 A 11 TYR HE1 A 7 ARG HB2 1.0 1.940 4.670 168 75 A 11 TYR HE2 A 7 ARG HB2 1.0 1.940 4.670 169 76 A 67 GLN HB2 A 67 GLN HE22 1.0 1.929 4.559 170 76 A 67 GLN HB3 A 67 GLN HE22 1.0 1.929 4.559 171 77 A 7 ARG HB3 A 11 TYR HD1 1.0 1.981 5.249 172 77 A 7 ARG HB3 A 11 TYR HD2 1.0 1.981 5.249 173 77 A 7 ARG HB2 A 11 TYR HD1 1.0 1.981 5.249 174 77 A 7 ARG HB2 A 11 TYR HD2 1.0 1.981 5.249 175 78 A 50 GLN HE21 A 50 GLN HB3 1.0 1.944 4.710 176 78 A 61 ILE H A 57 VAL HB 1.0 1.944 4.710 177 79 A 60 LYS H A 59 PRO HG2 1.0 1.687 3.147 178 79 A 60 LYS H A 59 PRO HG3 1.0 1.687 3.147 179 79 A 60 LYS H A 60 LYS HB3 1.0 1.687 3.147 180 80 A 65 GLU H A 65 GLU HB2 1.0 1.811 3.729 181 80 A 65 GLU H A 65 GLU HB3 1.0 1.811 3.729 182 81 A 53 GLY H A 52 LYS HB2 1.0 1.866 4.066 183 81 A 54 GLY H A 52 LYS HB2 1.0 1.866 4.066 184 82 A 7 ARG H A 7 ARG HB3 1.0 1.673 3.091 185 82 A 7 ARG H A 7 ARG HB2 1.0 1.673 3.091 186 83 A 35 GLN H A 35 GLN HB2 1.0 0.000 6.000 187 83 A 35 GLN H A 34 ARG HB3 1.0 0.000 6.000 188 84 A 76 TRP H A 74 LYS HB3 1.0 1.931 4.581 189 84 A 76 TRP H A 74 LYS HB2 1.0 1.931 4.581 190 85 A 53 GLY H A 52 LYS HB3 1.0 1.846 3.932 191 85 A 54 GLY H A 52 LYS HB3 1.0 1.846 3.932 192 86 A 20 VAL H A 19 LYS HD2 1.0 1.988 5.388 193 86 A 20 VAL H A 19 LYS HD3 1.0 1.988 5.388 194 87 A 33 TRP HE3 A 3 ARG HB2 1.0 1.947 4.745 195 87 A 33 TRP HZ2 A 3 ARG HB2 1.0 1.947 4.745 196 88 A 33 TRP HZ2 A 3 ARG HG3 1.0 0.000 6.000 197 88 A 33 TRP HZ2 A 2 PRO HG3 1.0 0.000 6.000 198 89 A 3 ARG H A 3 ARG HG2 1.0 1.995 5.607 199 89 A 5 THR H A 2 PRO HG3 1.0 1.995 5.607 200 89 A 3 ARG H A 2 PRO HG3 1.0 1.995 5.607 201 89 A 3 ARG H A 3 ARG HG3 1.0 1.995 5.607 202 90 A 33 TRP HE3 A 36 LYS HD2 1.0 1.972 5.086 203 90 A 33 TRP HE3 A 36 LYS HD3 1.0 1.972 5.086 204 90 A 33 TRP HZ2 A 36 LYS HD2 1.0 1.972 5.086 205 91 A 53 GLY H A 52 LYS HG3 1.0 1.981 5.241 206 91 A 53 GLY H A 52 LYS HD2 1.0 1.981 5.241 207 92 A 8 CYS H A 7 ARG HB2 1.0 1.686 3.146 208 92 A 8 CYS H A 7 ARG HB3 1.0 1.686 3.146 209 93 A 6 SER H A 7 ARG HB2 1.0 1.952 4.802 210 93 A 6 SER H A 7 ARG HB3 1.0 1.952 4.802 211 94 A 21 CYS HB3 A 26 ALA H 1.0 1.912 4.410 212 94 A 21 CYS HB2 A 26 ALA H 1.0 1.912 4.410 213 95 A 28 PHE H A 39 CYS HB3 1.0 1.853 3.979 214 95 A 16 ILE H A 15 CYS HB2 1.0 1.853 3.979 215 96 A 21 CYS HB3 A 25 PHE H 1.0 1.900 4.314 216 96 A 21 CYS HB2 A 25 PHE H 1.0 1.900 4.314 217 97 A 25 PHE H A 23 LYS HB3 1.0 1.848 3.950 218 97 A 25 PHE H A 23 LYS HB2 1.0 1.848 3.950 219 98 A 67 GLN HB2 A 78 CYS H 1.0 1.951 4.803 220 98 A 26 ALA H A 40 VAL HB 1.0 1.951 4.803 221 99 A 57 VAL HB A 56 CYS H 1.0 1.995 5.611 222 99 A 26 ALA H A 41 ASP HB2 1.0 1.995 5.611 223 100 A 21 CYS H A 19 LYS HB2 1.0 0.000 6.000 224 100 A 21 CYS H A 20 VAL HB 1.0 0.000 6.000 225 101 A 80 LYS H A 65 GLU HB2 1.0 0.000 6.000 226 101 A 80 LYS H A 65 GLU HB3 1.0 0.000 6.000 227 102 A 67 GLN HB3 A 67 GLN H 1.0 1.742 3.388 228 102 A 67 GLN HB2 A 67 GLN H 1.0 1.742 3.388 229 103 A 67 GLN H A 67 GLN HG2 1.0 0.000 6.000 230 103 A 67 GLN H A 66 GLU HB3 1.0 0.000 6.000 231 104 A 23 LYS H A 23 LYS HB3 1.0 1.489 2.467 232 104 A 23 LYS H A 23 LYS HB2 1.0 1.489 2.467 233 105 A 67 GLN HB3 A 55 HIS H 1.0 1.963 4.959 234 105 A 67 GLN HB2 A 55 HIS H 1.0 1.963 4.959 235 106 A 74 LYS HB3 A 74 LYS H 1.0 1.532 2.600 236 106 A 74 LYS HB2 A 74 LYS H 1.0 1.532 2.600 237 107 A 23 LYS H A 23 LYS HD3 1.0 1.698 3.194 238 107 A 23 LYS H A 23 LYS HD2 1.0 1.698 3.194 239 108 A 52 LYS HB3 A 51 ASP H 1.0 1.989 5.433 240 108 A 10 GLY H A 7 ARG HG3 1.0 1.989 5.433 241 109 A 36 LYS H A 36 LYS HD3 1.0 1.813 3.741 242 109 A 36 LYS H A 36 LYS HD2 1.0 1.813 3.741 243 110 A 62 ARG H A 62 ARG HB3 1.0 1.585 2.771 244 110 A 62 ARG H A 62 ARG HB2 1.0 1.585 2.771 245 111 A 4 ASP H A 3 ARG HG2 1.0 1.956 4.860 246 111 A 4 ASP H A 3 ARG HG3 1.0 1.956 4.860 247 112 A 81 GLU H A 80 LYS HG3 1.0 1.946 4.738 248 112 A 81 GLU H A 80 LYS HG2 1.0 1.946 4.738 249 113 A 31 CYS H A 36 LYS HG3 1.0 1.968 5.034 250 113 A 31 CYS H A 36 LYS HG2 1.0 1.968 5.034 251 114 A 53 GLY H A 52 LYS HG2 1.0 1.951 4.801 252 114 A 54 GLY H A 52 LYS HG2 1.0 1.951 4.801 253 115 A 68 LEU H A 68 LEU HB2 1.0 1.755 3.443 254 115 A 68 LEU H A 68 LEU HB3 1.0 1.755 3.443 255 116 A 60 LYS H A 60 LYS HG3 1.0 1.739 3.369 256 116 A 60 LYS H A 60 LYS HG2 1.0 1.739 3.369 257 117 A 33 TRP HH2 A 3 ARG HB2 1.0 1.830 3.838 258 117 A 3 ARG HE A 3 ARG HB2 1.0 1.830 3.838 259 118 A 74 LYS HB3 A 76 TRP HD1 1.0 0.000 6.000 260 118 A 74 LYS HB2 A 76 TRP HD1 1.0 0.000 6.000 261 119 A 17 ARG HE A 17 ARG HG3 1.0 1.825 3.813 262 119 A 17 ARG HE A 17 ARG HG2 1.0 1.825 3.813 263 119 A 75 ARG HE A 75 ARG HG2 1.0 1.825 3.813 264 120 A 67 GLN HE21 A 52 LYS HG3 1.0 1.986 5.344 265 120 A 67 GLN HE21 A 52 LYS HD2 1.0 1.986 5.344 266 121 A 67 GLN HE21 A 80 LYS HG2 1.0 1.962 4.930 267 121 A 67 GLN HE21 A 80 LYS HG3 1.0 1.962 4.930 268 122 A 68 LEU HB2 A 50 GLN HE22 1.0 1.982 5.262 269 122 A 50 GLN HE22 A 68 LEU HG 1.0 1.982 5.262 270 122 A 68 LEU HB3 A 50 GLN HE22 1.0 1.982 5.262 271 123 A 26 ALA HB% A 46 PHE HD1 1.0 1.955 4.851 272 123 A 25 PHE HD2 A 26 ALA HB% 1.0 1.955 4.851 273 123 A 26 ALA HB% A 46 PHE HD2 1.0 1.955 4.851 274 123 A 26 ALA HB% A 25 PHE HD1 1.0 1.955 4.851 275 124 A 67 GLN HE22 A 80 LYS HG2 1.0 1.953 4.827 276 124 A 67 GLN HE22 A 80 LYS HG3 1.0 1.953 4.827 277 125 A 25 PHE HD2 A 24 PRO HB2 1.0 1.870 4.094 278 125 A 25 PHE HD1 A 24 PRO HB2 1.0 1.870 4.094 279 125 A 46 PHE HD2 A 43 THR HG2% 1.0 1.870 4.094 280 125 A 46 PHE HD1 A 43 THR HG2% 1.0 1.870 4.094 281 126 A 25 PHE HE2 A 43 THR HG2% 1.0 0.000 6.000 282 126 A 25 PHE HE1 A 24 PRO HB2 1.0 0.000 6.000 283 126 A 25 PHE HE1 A 43 THR HG2% 1.0 0.000 6.000 284 126 A 25 PHE HE2 A 24 PRO HB2 1.0 0.000 6.000 285 127 A 31 CYS H A 30 THR HG2% 1.0 0.000 6.000 286 127 A 35 GLN H A 30 THR HG2% 1.0 0.000 6.000 287 128 A 45 ASP H A 43 THR HG2% 1.0 1.983 5.297 288 128 A 46 PHE H A 43 THR HG2% 1.0 1.983 5.297 289 129 A 76 TRP HZ3 A 57 VAL HG2% 1.0 1.889 4.231 290 129 A 76 TRP HZ3 A 57 VAL HG1% 1.0 1.889 4.231 291 130 A 57 VAL HG2% A 58 SER H 1.0 1.750 3.420 292 130 A 57 VAL HG1% A 58 SER H 1.0 1.750 3.420 293 131 A 61 ILE H A 57 VAL HG2% 1.0 1.871 4.101 294 131 A 61 ILE H A 57 VAL HG1% 1.0 1.871 4.101 295 132 A 46 PHE H A 40 VAL HG1% 1.0 0.000 6.000 296 132 A 45 ASP H A 40 VAL HG1% 1.0 0.000 6.000 297 133 A 36 LYS H A 30 THR HG2% 1.0 1.889 4.227 298 133 A 29 GLY H A 30 THR HG2% 1.0 1.889 4.227 299 134 A 36 LYS H A 36 LYS HG3 1.0 1.814 3.742 300 134 A 36 LYS H A 36 LYS HG2 1.0 1.814 3.742 301 135 A 62 ARG HB2 A 63 CYS H 1.0 1.821 3.783 302 135 A 62 ARG HB3 A 63 CYS H 1.0 1.821 3.783 303 136 A 55 HIS H A 68 LEU HB2 1.0 1.996 5.644 304 136 A 68 LEU HG A 47 HIS HE1 1.0 1.996 5.644 305 136 A 68 LEU HB3 A 47 HIS HE1 1.0 1.996 5.644 306 136 A 68 LEU HB2 A 47 HIS HE1 1.0 1.996 5.644 307 137 A 75 ARG H A 74 LYS HG2 1.0 1.937 4.647 308 137 A 75 ARG H A 74 LYS HG3 1.0 1.937 4.647 309 138 A 80 LYS H A 80 LYS HG2 1.0 0.000 6.000 310 138 A 80 LYS H A 80 LYS HG3 1.0 0.000 6.000 311 139 A 37 THR H A 16 ILE HG12 1.0 1.904 4.344 312 139 A 71 CYS H A 70 LEU HB3 1.0 1.904 4.344 313 140 A 25 PHE H A 23 LYS HD2 1.0 1.998 5.736 314 140 A 25 PHE H A 23 LYS HD3 1.0 1.998 5.736 315 141 A 25 PHE H A 23 LYS HG2 1.0 1.993 5.523 316 141 A 25 PHE H A 23 LYS HG3 1.0 1.993 5.523 317 142 A 16 ILE H A 36 LYS HG3 1.0 1.991 5.463 318 142 A 16 ILE H A 36 LYS HG2 1.0 1.991 5.463 319 143 A 37 THR H A 36 LYS HG3 1.0 1.922 4.498 320 143 A 37 THR H A 36 LYS HG2 1.0 1.922 4.498 321 144 A 76 TRP HE1 A 59 PRO HG2 1.0 0.000 6.000 322 144 A 76 TRP HE1 A 59 PRO HG3 1.0 0.000 6.000 323 145 A 57 VAL HG1% A 57 VAL H 1.0 1.586 2.774 324 145 A 57 VAL HG2% A 57 VAL H 1.0 1.586 2.774 325 146 A 39 CYS H A 16 ILE HD1% 1.0 1.989 5.417 326 146 A 39 CYS H A 40 VAL HG2% 1.0 1.989 5.417 327 147 A 79 CYS H A 57 VAL HG2% 1.0 1.840 3.900 328 147 A 79 CYS H A 57 VAL HG1% 1.0 1.840 3.900 329 148 A 77 THR H A 57 VAL HG1% 1.0 1.793 3.635 330 148 A 77 THR H A 57 VAL HG2% 1.0 1.793 3.635 331 149 A 57 VAL HG1% A 63 CYS H 1.0 1.913 4.425 332 149 A 57 VAL HG2% A 63 CYS H 1.0 1.913 4.425 333 150 A 14 TYR H A 40 VAL HG2% 1.0 1.920 4.478 334 150 A 55 HIS H A 82 ILE HD1% 1.0 1.920 4.478 335 151 A 70 LEU H A 70 LEU HD1% 1.0 1.824 3.804 336 151 A 70 LEU H A 70 LEU HD2% 1.0 1.824 3.804 337 152 A 14 TYR HE2 A 14 TYR HA 1.0 1.946 4.738 338 152 A 14 TYR HE1 A 14 TYR HA 1.0 1.946 4.738 339 152 A 16 ILE HA A 14 TYR HE2 1.0 1.946 4.738 340 152 A 14 TYR HE1 A 16 ILE HA 1.0 1.946 4.738 341 153 A 14 TYR HB3 A 14 TYR HE1 1.0 1.903 4.339 342 153 A 14 TYR HB2 A 14 TYR HE2 1.0 1.903 4.339 343 153 A 14 TYR HB2 A 14 TYR HE1 1.0 1.903 4.339 344 153 A 14 TYR HB3 A 14 TYR HE2 1.0 1.903 4.339 345 154 A 41 ASP HB2 A 14 TYR HE1 1.0 1.999 6.197 346 154 A 41 ASP HB2 A 14 TYR HE2 1.0 1.999 6.197 347 154 A 14 TYR HE2 A 22 PRO HB3 1.0 1.999 6.197 348 154 A 14 TYR HE1 A 22 PRO HB3 1.0 1.999 6.197 349 155 A 26 ALA HB% A 39 CYS HA 1.0 1.882 4.174 350 155 A 39 CYS HA A 27 ALA HB% 1.0 1.882 4.174 351 156 A 36 LYS HG3 A 15 CYS HA 1.0 1.991 5.463 352 156 A 36 LYS HG2 A 15 CYS HA 1.0 1.991 5.463 353 157 A 57 VAL HG2% A 56 CYS HA 1.0 1.773 3.529 354 157 A 57 VAL HG1% A 56 CYS HA 1.0 1.773 3.529 355 158 A 79 CYS HA A 67 GLN HG3 1.0 1.992 5.516 356 158 A 71 CYS HA A 72 PRO HB2 1.0 1.992 5.516 357 159 A 79 CYS HA A 65 GLU HB2 1.0 1.884 4.188 358 159 A 79 CYS HA A 65 GLU HB3 1.0 1.884 4.188 359 160 A 71 CYS HA A 72 PRO HG2 1.0 1.983 5.275 360 160 A 71 CYS HA A 72 PRO HB3 1.0 1.983 5.275 361 161 A 79 CYS HA A 57 VAL HG1% 1.0 1.921 4.485 362 161 A 79 CYS HA A 57 VAL HG2% 1.0 1.921 4.485 363 162 A 24 PRO HD3 A 24 PRO HA 1.0 1.954 4.828 364 162 A 25 PHE HB3 A 24 PRO HA 1.0 1.954 4.828 365 163 A 67 GLN HA A 80 LYS HE2 1.0 1.945 4.723 366 163 A 80 LYS HE3 A 67 GLN HA 1.0 1.945 4.723 367 164 A 14 TYR HB2 A 14 TYR HA 1.0 1.543 2.631 368 164 A 14 TYR HB3 A 14 TYR HA 1.0 1.543 2.631 369 165 A 25 PHE HB2 A 25 PHE HA 1.0 1.717 3.273 370 165 A 76 TRP HA A 59 PRO HD2 1.0 1.717 3.273 371 166 A 21 CYS HB2 A 21 CYS HA 1.0 1.681 3.123 372 166 A 21 CYS HB3 A 21 CYS HA 1.0 1.681 3.123 373 167 A 21 CYS HB3 A 26 ALA HA 1.0 1.781 3.573 374 167 A 21 CYS HB2 A 26 ALA HA 1.0 1.781 3.573 375 168 A 67 GLN HB2 A 67 GLN HA 1.0 1.690 3.158 376 168 A 67 GLN HB3 A 67 GLN HA 1.0 1.690 3.158 377 169 A 67 GLN HG2 A 67 GLN HA 1.0 1.792 3.628 378 169 A 66 GLU HA A 66 GLU HB3 1.0 1.792 3.628 379 170 A 23 LYS HB3 A 24 PRO HA 1.0 1.674 3.098 380 170 A 23 LYS HB2 A 24 PRO HA 1.0 1.674 3.098 381 171 A 76 TRP HA A 59 PRO HG2 1.0 1.919 4.469 382 171 A 76 TRP HA A 59 PRO HG3 1.0 1.919 4.469 383 171 A 25 PHE HA A 24 PRO HB3 1.0 1.919 4.469 384 172 A 23 LYS HD3 A 24 PRO HA 1.0 1.887 4.211 385 172 A 23 LYS HD2 A 24 PRO HA 1.0 1.887 4.211 386 173 A 23 LYS HG2 A 24 PRO HA 1.0 1.920 4.476 387 173 A 23 LYS HG3 A 24 PRO HA 1.0 1.920 4.476 388 174 A 80 LYS HG2 A 67 GLN HA 1.0 1.853 3.977 389 174 A 80 LYS HG3 A 67 GLN HA 1.0 1.853 3.977 390 175 A 28 PHE HA A 37 THR HG2% 1.0 1.940 4.676 391 175 A 26 ALA HA A 42 THR HG2% 1.0 1.940 4.676 392 176 A 57 VAL HG1% A 57 VAL HA 1.0 1.552 2.662 393 176 A 57 VAL HG2% A 57 VAL HA 1.0 1.552 2.662 394 177 A 76 TRP HA A 57 VAL HG2% 1.0 1.851 3.965 395 177 A 57 VAL HG1% A 63 CYS HA 1.0 1.851 3.965 396 177 A 57 VAL HG2% A 63 CYS HA 1.0 1.851 3.965 397 178 A 17 ARG HA A 16 ILE HG2% 1.0 0.000 6.000 398 178 A 17 ARG HA A 20 VAL HG2% 1.0 0.000 6.000 399 179 A 48 THR HA A 40 VAL HG1% 1.0 0.000 6.000 400 179 A 40 VAL HG1% A 8 CYS HA 1.0 0.000 6.000 401 180 A 41 ASP HA A 40 VAL HG2% 1.0 1.785 3.591 402 180 A 62 ARG HA A 61 ILE HG2% 1.0 1.785 3.591 403 181 A 17 ARG HA A 36 LYS HG3 1.0 0.000 6.000 404 181 A 17 ARG HA A 36 LYS HG2 1.0 0.000 6.000 405 182 A 23 LYS HG2 A 23 LYS HA 1.0 1.874 4.116 406 182 A 23 LYS HG3 A 23 LYS HA 1.0 1.874 4.116 407 183 A 52 LYS HA A 52 LYS HD2 1.0 1.708 3.234 408 183 A 52 LYS HA A 52 LYS HG3 1.0 1.708 3.234 409 184 A 80 LYS HG2 A 80 LYS HA 1.0 1.777 3.555 410 184 A 80 LYS HG3 A 80 LYS HA 1.0 1.777 3.555 411 185 A 68 LEU HA A 68 LEU HB3 1.0 1.725 3.305 412 185 A 68 LEU HA A 68 LEU HB2 1.0 1.725 3.305 413 186 A 36 LYS HD3 A 33 TRP HA 1.0 0.000 6.000 414 186 A 36 LYS HD2 A 33 TRP HA 1.0 0.000 6.000 415 187 A 17 ARG HA A 36 LYS HD2 1.0 1.964 4.964 416 187 A 17 ARG HA A 36 LYS HD3 1.0 1.964 4.964 417 188 A 23 LYS HB2 A 23 LYS HA 1.0 1.660 3.042 418 188 A 23 LYS HB3 A 23 LYS HA 1.0 1.660 3.042 419 189 A 17 ARG HA A 17 ARG HG2 1.0 1.734 3.346 420 189 A 17 ARG HA A 17 ARG HG3 1.0 1.734 3.346 421 190 A 65 GLU HB3 A 65 GLU HA 1.0 1.662 3.050 422 190 A 65 GLU HB2 A 65 GLU HA 1.0 1.662 3.050 423 191 A 50 GLN HB2 A 51 ASP HA 1.0 1.983 5.289 424 191 A 75 ARG HB2 A 59 PRO HA 1.0 1.983 5.289 425 192 A 80 LYS HA A 80 LYS HD3 1.0 1.872 4.104 426 192 A 80 LYS HA A 80 LYS HD2 1.0 1.872 4.104 427 193 A 62 ARG HA A 62 ARG HB3 1.0 1.684 3.136 428 193 A 62 ARG HA A 62 ARG HB2 1.0 1.684 3.136 429 194 A 62 ARG HA A 61 ILE HB 1.0 1.925 4.531 430 194 A 67 GLN HB2 A 68 LEU HA 1.0 1.925 4.531 431 195 A 3 ARG HA A 3 ARG HG2 1.0 1.680 3.118 432 195 A 3 ARG HA A 3 ARG HG3 1.0 1.680 3.118 433 196 A 64 LEU HB2 A 82 ILE HA 1.0 0.000 6.000 434 196 A 75 ARG HG3 A 74 LYS HA 1.0 0.000 6.000 435 197 A 74 LYS HB3 A 74 LYS HA 1.0 1.588 2.782 436 197 A 60 LYS HB3 A 60 LYS HA 1.0 1.588 2.782 437 198 A 59 PRO HB3 A 59 PRO HA 1.0 1.621 2.897 438 198 A 59 PRO HB2 A 59 PRO HA 1.0 1.621 2.897 439 199 A 19 LYS HA A 21 CYS HB2 1.0 0.000 6.000 440 199 A 20 VAL HA A 21 CYS HB2 1.0 0.000 6.000 441 199 A 20 VAL HA A 21 CYS HB3 1.0 0.000 6.000 442 199 A 19 LYS HA A 21 CYS HB3 1.0 0.000 6.000 443 200 A 7 ARG HB3 A 7 ARG HA 1.0 1.740 3.376 444 200 A 7 ARG HB2 A 7 ARG HA 1.0 1.740 3.376 445 201 A 78 CYS HB2 A 77 THR HA 1.0 1.969 5.033 446 201 A 78 CYS HB2 A 70 LEU HA 1.0 1.969 5.033 447 202 A 35 GLN HA A 34 ARG HD3 1.0 1.700 3.202 448 202 A 35 GLN HA A 34 ARG HD2 1.0 1.700 3.202 449 203 A 62 ARG HA A 62 ARG HD3 1.0 1.905 4.349 450 203 A 62 ARG HA A 62 ARG HD2 1.0 1.905 4.349 451 204 A 53 GLY HA2 A 54 GLY HA2 1.0 0.000 6.000 452 204 A 53 GLY HA2 A 51 ASP HA 1.0 0.000 6.000 453 205 A 6 SER HB2 A 6 SER HA 1.0 1.413 2.255 454 205 A 6 SER HB3 A 6 SER HA 1.0 1.413 2.255 455 206 A 75 ARG HD2 A 75 ARG HA 1.0 1.853 3.979 456 206 A 75 ARG HD3 A 75 ARG HA 1.0 1.853 3.979 457 207 A 3 ARG HA A 3 ARG HD2 1.0 1.884 4.188 458 207 A 3 ARG HA A 3 ARG HD3 1.0 1.884 4.188 459 208 A 7 ARG HD3 A 8 CYS HB3 1.0 1.711 3.247 460 208 A 7 ARG HD2 A 8 CYS HB3 1.0 1.711 3.247 461 209 A 25 PHE HB3 A 21 CYS HB2 1.0 1.723 3.299 462 209 A 25 PHE HB3 A 21 CYS HB3 1.0 1.723 3.299 463 210 A 21 CYS HB3 A 22 PRO HD3 1.0 1.777 3.551 464 210 A 21 CYS HB2 A 22 PRO HD3 1.0 1.777 3.551 465 211 A 21 CYS HB2 A 22 PRO HD2 1.0 1.853 3.975 466 211 A 21 CYS HB3 A 22 PRO HD2 1.0 1.853 3.975 467 212 A 63 CYS HB2 A 63 CYS HB3 1.0 1.501 2.501 468 212 A 79 CYS HB2 A 79 CYS HB3 1.0 1.501 2.501 469 213 A 34 ARG HD3 A 35 GLN HG3 1.0 1.970 5.038 470 213 A 34 ARG HD2 A 35 GLN HG3 1.0 1.970 5.038 471 214 A 75 ARG HD3 A 75 ARG HB3 1.0 1.788 3.608 472 214 A 75 ARG HD2 A 75 ARG HB3 1.0 1.788 3.608 473 215 A 34 ARG HD2 A 34 ARG HB2 1.0 1.869 4.085 474 215 A 34 ARG HD3 A 34 ARG HB2 1.0 1.869 4.085 475 216 A 34 ARG HD2 A 34 ARG HB3 1.0 1.808 3.714 476 216 A 34 ARG HD3 A 34 ARG HB3 1.0 1.808 3.714 477 217 A 17 ARG HD2 A 17 ARG HB2 1.0 1.828 3.828 478 217 A 17 ARG HD3 A 17 ARG HB2 1.0 1.828 3.828 479 218 A 3 ARG HD2 A 3 ARG HB3 1.0 1.822 3.794 480 218 A 3 ARG HD3 A 3 ARG HB3 1.0 1.822 3.794 481 219 A 3 ARG HD3 A 3 ARG HB2 1.0 1.541 2.629 482 219 A 3 ARG HD2 A 3 ARG HB2 1.0 1.541 2.629 483 220 A 17 ARG HD3 A 17 ARG HB3 1.0 1.601 2.825 484 220 A 17 ARG HD2 A 17 ARG HB3 1.0 1.601 2.825 485 221 A 17 ARG HD2 A 17 ARG HG3 1.0 1.544 2.634 486 221 A 17 ARG HD3 A 17 ARG HG2 1.0 1.544 2.634 487 221 A 17 ARG HD3 A 17 ARG HG3 1.0 1.544 2.634 488 221 A 75 ARG HD3 A 75 ARG HG2 1.0 1.544 2.634 489 221 A 75 ARG HD3 A 75 ARG HG3 1.0 1.544 2.634 490 221 A 75 ARG HD2 A 75 ARG HG2 1.0 1.544 2.634 491 221 A 75 ARG HD2 A 75 ARG HG3 1.0 1.544 2.634 492 222 A 34 ARG HD2 A 34 ARG HG2 1.0 1.672 3.088 493 222 A 34 ARG HD3 A 34 ARG HG2 1.0 1.672 3.088 494 223 A 62 ARG HD3 A 62 ARG HB3 1.0 1.815 3.753 495 223 A 62 ARG HD2 A 62 ARG HB2 1.0 1.815 3.753 496 223 A 62 ARG HD2 A 62 ARG HB3 1.0 1.815 3.753 497 223 A 62 ARG HD3 A 62 ARG HB2 1.0 1.815 3.753 498 224 A 32 SER HB3 A 3 ARG HG3 1.0 0.000 6.000 499 224 A 32 SER HB3 A 3 ARG HG2 1.0 0.000 6.000 500 225 A 6 SER HB2 A 1 LEU HG 1.0 1.938 4.654 501 225 A 6 SER HB3 A 1 LEU HG 1.0 1.938 4.654 502 226 A 6 SER HB3 A 1 LEU HB2 1.0 1.841 3.907 503 226 A 6 SER HB2 A 1 LEU HB2 1.0 1.841 3.907 504 227 A 6 SER HB3 A 5 THR HG2% 1.0 1.916 4.446 505 227 A 6 SER HB2 A 5 THR HG2% 1.0 1.916 4.446 506 228 A 74 LYS HG2 A 74 LYS HA 1.0 1.754 3.442 507 228 A 74 LYS HG3 A 74 LYS HA 1.0 1.754 3.442 508 229 A 6 SER HB3 A 1 LEU HD1% 1.0 1.843 3.915 509 229 A 6 SER HB2 A 1 LEU HD1% 1.0 1.843 3.915 510 230 A 36 LYS HG2 A 32 SER HB2 1.0 1.903 4.329 511 230 A 36 LYS HG3 A 32 SER HB2 1.0 1.903 4.329 512 231 A 60 LYS HG2 A 58 SER HB2 1.0 1.961 4.921 513 231 A 60 LYS HG3 A 58 SER HB2 1.0 1.961 4.921 514 232 A 78 CYS HB3 A 77 THR HG2% 1.0 1.768 3.508 515 232 A 24 PRO HD3 A 24 PRO HB2 1.0 1.768 3.508 516 233 A 34 ARG HD3 A 30 THR HG2% 1.0 1.794 3.638 517 233 A 34 ARG HD2 A 30 THR HG2% 1.0 1.794 3.638 518 234 A 62 ARG HD2 A 62 ARG HG3 1.0 1.804 3.690 519 234 A 62 ARG HD3 A 62 ARG HG3 1.0 1.804 3.690 520 235 A 62 ARG HD3 A 62 ARG HG2 1.0 1.742 3.384 521 235 A 62 ARG HD2 A 62 ARG HG2 1.0 1.742 3.384 522 236 A 34 ARG HD2 A 34 ARG HG3 1.0 1.683 3.133 523 236 A 34 ARG HD3 A 34 ARG HG3 1.0 1.683 3.133 524 237 A 19 LYS HE3 A 17 ARG HG2 1.0 0.000 6.000 525 237 A 19 LYS HE2 A 17 ARG HG3 1.0 0.000 6.000 526 237 A 19 LYS HE2 A 17 ARG HG2 1.0 0.000 6.000 527 237 A 19 LYS HE3 A 17 ARG HG3 1.0 0.000 6.000 528 238 A 80 LYS HE3 A 80 LYS HD2 1.0 1.586 2.774 529 238 A 80 LYS HE2 A 80 LYS HD2 1.0 1.586 2.774 530 238 A 80 LYS HE2 A 80 LYS HD3 1.0 1.586 2.774 531 238 A 80 LYS HE3 A 80 LYS HD3 1.0 1.586 2.774 532 239 A 70 LEU HB2 A 74 LYS HE3 1.0 0.000 6.000 533 239 A 70 LEU HB2 A 74 LYS HE2 1.0 0.000 6.000 534 240 A 19 LYS HE3 A 19 LYS HG3 1.0 1.888 4.218 535 240 A 19 LYS HE2 A 19 LYS HG3 1.0 1.888 4.218 536 241 A 80 LYS HG3 A 80 LYS HE2 1.0 1.738 3.368 537 241 A 80 LYS HG3 A 80 LYS HE3 1.0 1.738 3.368 538 241 A 80 LYS HG2 A 80 LYS HE2 1.0 1.738 3.368 539 242 A 57 VAL HG1% A 63 CYS HB3 1.0 1.626 2.914 540 242 A 57 VAL HG2% A 63 CYS HB3 1.0 1.626 2.914 541 243 A 62 ARG HD2 A 61 ILE HG2% 1.0 0.000 6.000 542 243 A 62 ARG HD3 A 61 ILE HG2% 1.0 0.000 6.000 543 244 A 57 VAL HG2% A 55 HIS HB3 1.0 1.873 4.109 544 244 A 57 VAL HG1% A 55 HIS HB3 1.0 1.873 4.109 545 245 A 14 TYR HB2 A 16 ILE HG2% 1.0 1.902 4.328 546 245 A 14 TYR HB3 A 16 ILE HG2% 1.0 1.902 4.328 547 246 A 36 LYS HE3 A 36 LYS HG2 1.0 1.775 3.541 548 246 A 36 LYS HE3 A 36 LYS HG3 1.0 1.775 3.541 549 247 A 36 LYS HG2 A 36 LYS HE2 1.0 1.848 3.942 550 247 A 36 LYS HG3 A 36 LYS HE2 1.0 1.848 3.942 551 248 A 36 LYS HE3 A 36 LYS HD3 1.0 1.821 3.785 552 248 A 36 LYS HE3 A 36 LYS HD2 1.0 1.821 3.785 553 249 A 52 LYS HD2 A 52 LYS HE2 1.0 1.753 3.439 554 249 A 52 LYS HD3 A 52 LYS HE2 1.0 1.753 3.439 555 250 A 36 LYS HD2 A 36 LYS HE2 1.0 1.912 4.406 556 250 A 36 LYS HD3 A 36 LYS HE2 1.0 1.912 4.406 557 251 A 80 LYS HD3 A 52 LYS HE2 1.0 1.941 4.691 558 251 A 80 LYS HD2 A 52 LYS HE2 1.0 1.941 4.691 559 252 A 59 PRO HG2 A 59 PRO HD2 1.0 1.766 3.498 560 252 A 59 PRO HG3 A 59 PRO HD2 1.0 1.766 3.498 561 253 A 67 GLN HB3 A 79 CYS HB2 1.0 0.000 6.000 562 253 A 28 PHE HB2 A 40 VAL HB 1.0 0.000 6.000 563 254 A 28 PHE HB2 A 26 ALA HB% 1.0 0.000 6.000 564 254 A 28 PHE HB2 A 27 ALA HB% 1.0 0.000 6.000 565 255 A 57 VAL HG1% A 79 CYS HB2 1.0 1.626 2.916 566 255 A 57 VAL HG2% A 79 CYS HB2 1.0 1.626 2.916 567 256 A 49 CYS HB3 A 50 GLN HB3 1.0 0.000 6.000 568 256 A 49 CYS HB3 A 52 LYS HB2 1.0 0.000 6.000 569 257 A 75 ARG HB2 A 75 ARG HB3 1.0 1.460 2.382 570 257 A 34 ARG HB3 A 34 ARG HB2 1.0 1.460 2.382 571 258 A 59 PRO HB3 A 59 PRO HG3 1.0 1.440 2.328 572 258 A 59 PRO HB2 A 59 PRO HG3 1.0 1.440 2.328 573 258 A 59 PRO HB3 A 59 PRO HG2 1.0 1.440 2.328 574 259 A 75 ARG HG2 A 75 ARG HB3 1.0 1.759 3.463 575 259 A 75 ARG HG3 A 75 ARG HB3 1.0 1.759 3.463 576 260 A 21 CYS HB2 A 27 ALA HB% 1.0 1.913 4.417 577 260 A 21 CYS HB3 A 27 ALA HB% 1.0 1.913 4.417 578 261 A 36 LYS HD2 A 15 CYS HB2 1.0 1.956 4.864 579 261 A 36 LYS HD3 A 15 CYS HB2 1.0 1.956 4.864 580 262 A 15 CYS HB2 A 36 LYS HG2 1.0 1.919 4.475 581 262 A 15 CYS HB2 A 36 LYS HG3 1.0 1.919 4.475 582 263 A 65 GLU HB3 A 65 GLU HG3 1.0 1.745 3.397 583 263 A 65 GLU HB2 A 65 GLU HG3 1.0 1.745 3.397 584 264 A 67 GLN HB3 A 67 GLN HG3 1.0 1.676 3.104 585 264 A 67 GLN HB2 A 67 GLN HG3 1.0 1.676 3.104 586 265 A 75 ARG HB2 A 75 ARG HG3 1.0 1.773 3.535 587 265 A 75 ARG HG2 A 75 ARG HB2 1.0 1.773 3.535 588 266 A 52 LYS HB2 A 52 LYS HG3 1.0 1.811 3.727 589 266 A 52 LYS HB2 A 52 LYS HD2 1.0 1.811 3.727 590 267 A 17 ARG HG2 A 17 ARG HB2 1.0 1.683 3.131 591 267 A 17 ARG HG3 A 17 ARG HB2 1.0 1.683 3.131 592 268 A 57 VAL HB A 57 VAL HG1% 1.0 1.465 2.395 593 268 A 57 VAL HB A 57 VAL HG2% 1.0 1.465 2.395 594 269 A 20 VAL HB A 20 VAL HG2% 1.0 1.421 2.275 595 269 A 16 ILE HG2% A 16 ILE HB 1.0 1.421 2.275 596 270 A 57 VAL HG1% A 61 ILE HB 1.0 1.547 2.645 597 270 A 57 VAL HG2% A 61 ILE HB 1.0 1.547 2.645 598 271 A 65 GLU HB2 A 82 ILE HG13 1.0 0.000 6.000 599 271 A 65 GLU HB3 A 82 ILE HG13 1.0 0.000 6.000 600 272 A 36 LYS HG2 A 36 LYS HB2 1.0 1.611 2.861 601 272 A 74 LYS HB3 A 74 LYS HG2 1.0 1.611 2.861 602 272 A 74 LYS HB2 A 74 LYS HG2 1.0 1.611 2.861 603 272 A 74 LYS HB2 A 74 LYS HG3 1.0 1.611 2.861 604 272 A 36 LYS HG3 A 36 LYS HB2 1.0 1.611 2.861 605 273 A 67 GLN HB3 A 80 LYS HG2 1.0 1.951 4.797 606 273 A 67 GLN HB3 A 80 LYS HG3 1.0 1.951 4.797 607 274 A 80 LYS HG3 A 80 LYS HB2 1.0 1.799 3.663 608 274 A 80 LYS HG2 A 80 LYS HB2 1.0 1.799 3.663 609 275 A 52 LYS HB3 A 52 LYS HG2 1.0 1.827 3.817 610 275 A 82 ILE HG12 A 82 ILE HB 1.0 1.827 3.817 611 276 A 80 LYS HB2 A 80 LYS HB3 1.0 1.498 2.496 612 276 A 7 ARG HG3 A 7 ARG HG2 1.0 1.498 2.496 613 277 A 19 LYS HD3 A 19 LYS HG2 1.0 1.503 2.511 614 277 A 19 LYS HD2 A 19 LYS HG2 1.0 1.503 2.511 615 278 A 80 LYS HG2 A 80 LYS HD3 1.0 1.604 2.836 616 278 A 80 LYS HG2 A 80 LYS HD2 1.0 1.604 2.836 617 278 A 80 LYS HG3 A 80 LYS HD3 1.0 1.604 2.836 618 278 A 80 LYS HG3 A 80 LYS HD2 1.0 1.604 2.836 619 279 A 36 LYS HD3 A 36 LYS HG2 1.0 1.664 3.056 620 279 A 36 LYS HD2 A 36 LYS HG2 1.0 1.664 3.056 621 279 A 36 LYS HD2 A 36 LYS HG3 1.0 1.664 3.056 622 279 A 36 LYS HD3 A 36 LYS HG3 1.0 1.664 3.056 623 280 A 70 LEU HB3 A 70 LEU HD1% 1.0 1.594 2.800 624 280 A 70 LEU HB3 A 70 LEU HD2% 1.0 1.594 2.800 625 281 A 20 VAL HG2% A 19 LYS HB3 1.0 1.830 3.840 626 281 A 16 ILE HG2% A 39 CYS HB2 1.0 1.830 3.840 627 282 A 70 LEU HD2% A 70 LEU HG 1.0 1.666 3.062 628 282 A 70 LEU HD1% A 70 LEU HG 1.0 1.666 3.062 629 283 A 16 ILE HD1% A 16 ILE HG13 1.0 1.366 2.130 630 283 A 82 ILE HD1% A 82 ILE HG13 1.0 1.366 2.130 631 284 A 43 THR HB A 43 THR H 1.0 1.618 2.886 632 284 A 43 THR HA A 43 THR H 1.0 1.618 2.886 633 285 A 76 TRP H A 75 ARG HG3 1.0 1.960 4.914 634 285 A 76 TRP H A 75 ARG HG2 1.0 1.960 4.914 635 286 A 67 GLN HE21 A 55 HIS HB3 1.0 1.995 5.631 636 286 A 67 GLN HE21 A 80 LYS HE2 1.0 1.995 5.631 637 287 A 62 ARG HE A 62 ARG HD2 1.0 1.672 3.088 638 287 A 62 ARG HE A 62 ARG HD3 1.0 1.672 3.088 639 288 A 14 TYR HD1 A 16 ILE HA 1.0 0.000 6.000 640 288 A 14 TYR HD2 A 14 TYR HA 1.0 0.000 6.000 641 288 A 14 TYR HD1 A 14 TYR HA 1.0 0.000 6.000 642 288 A 14 TYR HD2 A 16 ILE HA 1.0 0.000 6.000 643 289 A 19 LYS HA A 19 LYS HE2 1.0 1.982 5.252 644 289 A 29 GLY HA3 A 38 CYS HB3 1.0 1.982 5.252 645 289 A 19 LYS HA A 19 LYS HE3 1.0 1.982 5.252 646 290 A 48 THR HA A 51 ASP HB3 1.0 1.975 5.135 647 290 A 80 LYS HA A 55 HIS HB3 1.0 1.975 5.135 648 291 A 59 PRO HD2 A 75 ARG HA 1.0 1.999 5.859 649 291 A 5 THR HA A 4 ASP HB2 1.0 1.999 5.859 650 292 A 75 ARG HB3 A 76 TRP HB2 1.0 1.992 5.510 651 292 A 59 PRO HB2 A 76 TRP HB2 1.0 1.992 5.510 652 292 A 79 CYS HB3 A 66 GLU HG3 1.0 1.992 5.510 653 293 A 19 LYS HE3 A 19 LYS HB2 1.0 1.969 5.029 654 293 A 19 LYS HE2 A 19 LYS HB2 1.0 1.969 5.029 655 294 A 21 CYS HB2 A 16 ILE HD1% 1.0 1.964 4.962 656 294 A 21 CYS HB3 A 16 ILE HD1% 1.0 1.964 4.962 657 295 A 21 CYS HB2 A 20 VAL HG1% 1.0 1.988 5.396 658 295 A 21 CYS HB3 A 20 VAL HG1% 1.0 1.988 5.396 659 296 A 39 CYS HB3 A 16 ILE HG2% 1.0 1.971 5.053 660 296 A 15 CYS HB2 A 16 ILE HG2% 1.0 1.971 5.053 661 297 A 67 GLN HE22 A 67 GLN HG3 1.0 1.888 4.214 662 298 A 67 GLN HE21 A 67 GLN HG2 1.0 1.972 5.070 663 299 A 79 CYS H A 57 VAL H 1.0 1.979 5.201 664 300 A 56 CYS H A 57 VAL H 1.0 1.962 4.926 665 301 A 77 THR H A 57 VAL H 1.0 1.821 3.787 666 302 A 26 ALA H A 25 PHE H 1.0 1.974 5.130 667 303 A 37 THR H A 16 ILE H 1.0 1.830 3.840 668 304 A 16 ILE H A 17 ARG H 1.0 1.978 5.184 669 305 A 14 TYR H A 39 CYS H 1.0 1.766 3.498 670 306 A 23 LYS H A 25 PHE H 1.0 1.963 4.957 671 307 A 16 ILE H A 15 CYS H 1.0 1.972 5.070 672 308 A 79 CYS H A 55 HIS H 1.0 1.797 3.653 673 309 A 55 HIS H A 56 CYS H 1.0 1.969 5.029 674 310 A 27 ALA H A 28 PHE H 1.0 1.915 4.443 675 311 A 28 PHE H A 29 GLY H 1.0 1.844 3.920 676 312 A 36 LYS H A 34 ARG H 1.0 1.991 5.479 677 313 A 27 ALA H A 26 ALA H 1.0 1.939 4.663 678 314 A 26 ALA H A 42 THR H 1.0 1.945 4.729 679 315 A 41 ASP H A 42 THR H 1.0 1.961 4.925 680 316 A 62 ARG H A 63 CYS H 1.0 1.955 4.837 681 317 A 80 LYS H A 67 GLN H 1.0 1.947 4.755 682 318 A 66 GLU H A 67 GLN H 1.0 1.997 5.673 683 319 A 75 ARG H A 74 LYS H 1.0 1.981 5.231 684 320 A 13 GLY H A 14 TYR H 1.0 1.973 5.099 685 321 A 27 ALA H A 21 CYS H 1.0 1.949 4.767 686 322 A 43 THR H A 42 THR H 1.0 0.000 6.000 687 323 A 8 CYS H A 9 VAL H 1.0 1.740 3.372 688 324 A 80 LYS H A 81 GLU H 1.0 0.000 6.000 689 325 A 50 GLN H A 51 ASP H 1.0 1.779 3.559 690 326 A 10 GLY H A 9 VAL H 1.0 1.697 3.187 691 327 A 75 ARG H A 76 TRP H 1.0 1.904 4.340 692 328 A 77 THR H A 76 TRP H 1.0 1.975 5.121 693 329 A 66 GLU H A 65 GLU H 1.0 1.985 5.325 694 330 A 65 GLU H A 64 LEU H 1.0 0.000 6.000 695 331 A 37 THR H A 31 CYS H 1.0 1.993 5.533 696 332 A 37 THR H A 38 CYS H 1.0 1.983 5.277 697 333 A 35 GLN H A 34 ARG H 1.0 1.897 4.285 698 334 A 39 CYS H A 38 CYS H 1.0 1.975 5.133 699 335 A 28 PHE H A 38 CYS H 1.0 1.947 4.743 700 336 A 76 TRP HE1 A 74 LYS H 1.0 1.999 6.175 701 337 A 76 TRP HE1 A 76 TRP H 1.0 1.961 4.925 702 338 A 76 TRP HE1 A 76 TRP HZ2 1.0 1.655 3.023 703 339 A 33 TRP HZ2 A 33 TRP HE1 1.0 1.630 2.928 704 340 A 76 TRP HE1 A 76 TRP HD1 1.0 1.552 2.660 705 341 A 33 TRP HD1 A 33 TRP HE1 1.0 0.000 6.000 706 342 A 57 VAL H A 76 TRP HE3 1.0 1.920 4.480 707 343 A 58 SER H A 57 VAL H 1.0 1.977 5.165 708 344 A 25 PHE H A 25 PHE HD1 1.0 1.646 2.990 709 344 A 25 PHE H A 25 PHE HD2 1.0 1.646 2.990 710 345 A 25 PHE HE2 A 25 PHE H 1.0 0.000 6.000 711 345 A 25 PHE HE1 A 25 PHE H 1.0 0.000 6.000 712 346 A 16 ILE H A 18 SER H 1.0 1.999 5.771 713 347 A 37 THR H A 18 SER H 1.0 1.982 5.250 714 348 A 14 TYR HD2 A 39 CYS H 1.0 1.984 5.296 715 348 A 14 TYR HD1 A 39 CYS H 1.0 1.984 5.296 716 349 A 16 ILE H A 14 TYR HD2 1.0 1.998 5.764 717 349 A 16 ILE H A 14 TYR HD1 1.0 1.998 5.764 718 350 A 28 PHE H A 28 PHE HD2 1.0 1.952 4.814 719 350 A 28 PHE H A 28 PHE HD1 1.0 1.952 4.814 720 351 A 40 VAL H A 25 PHE HD1 1.0 1.934 4.608 721 351 A 40 VAL H A 25 PHE HD2 1.0 1.934 4.608 722 352 A 26 ALA H A 25 PHE HD1 1.0 1.882 4.180 723 352 A 26 ALA H A 25 PHE HD2 1.0 1.882 4.180 724 353 A 56 CYS H A 55 HIS HD2 1.0 2.000 5.870 725 354 A 41 ASP H A 25 PHE HD1 1.0 1.860 4.020 726 354 A 41 ASP H A 25 PHE HD2 1.0 1.860 4.020 727 355 A 77 THR H A 76 TRP HE3 1.0 1.966 5.000 728 356 A 46 PHE H A 47 HIS H 1.0 1.904 4.348 729 357 A 76 TRP H A 74 LYS H 1.0 2.000 5.930 730 358 A 44 SER H A 43 THR H 1.0 1.695 3.179 731 359 A 54 GLY H A 55 HIS H 1.0 0.000 6.000 732 360 A 7 ARG H A 9 VAL H 1.0 1.990 5.446 733 361 A 4 ASP H A 7 ARG H 1.0 1.995 5.603 734 362 A 21 CYS H A 20 VAL H 1.0 1.864 4.046 735 363 A 18 SER H A 17 ARG H 1.0 1.735 3.355 736 364 A 41 ASP H A 25 PHE HE2 1.0 1.908 4.382 737 364 A 41 ASP H A 25 PHE HE1 1.0 1.908 4.382 738 365 A 77 THR H A 76 TRP HD1 1.0 1.981 5.253 739 366 A 50 GLN H A 52 LYS H 1.0 1.966 4.992 740 367 A 11 TYR H A 9 VAL H 1.0 1.954 4.840 741 368 A 14 TYR H A 25 PHE HE2 1.0 1.996 6.322 742 368 A 14 TYR H A 25 PHE HE1 1.0 1.996 6.322 743 369 A 20 VAL H A 19 LYS H 1.0 1.623 2.903 744 370 A 8 CYS H A 7 ARG H 1.0 1.693 3.173 745 371 A 6 SER H A 7 ARG H 1.0 1.707 3.231 746 372 A 38 CYS H A 30 THR H 1.0 1.999 5.835 747 373 A 62 ARG H A 61 ILE H 1.0 0.000 6.000 748 374 A 18 SER H A 19 LYS H 1.0 1.968 5.010 749 375 A 6 SER H A 5 THR H 1.0 1.765 3.491 750 376 A 13 GLY H A 11 TYR H 1.0 1.902 4.324 751 377 A 11 TYR H A 12 HIS H 1.0 1.731 3.333 752 378 A 10 GLY H A 11 TYR H 1.0 1.710 3.244 753 379 A 51 ASP H A 52 LYS H 1.0 1.790 3.616 754 380 A 53 GLY H A 52 LYS H 1.0 1.602 2.830 755 381 A 55 HIS H A 55 HIS HD2 1.0 1.859 4.015 756 382 A 55 HIS HD2 A 55 HIS HE1 1.0 1.987 5.369 757 383 A 23 LYS H A 25 PHE HD1 1.0 2.000 5.840 758 383 A 23 LYS H A 25 PHE HD2 1.0 2.000 5.840 759 384 A 74 LYS H A 76 TRP HD1 1.0 1.990 5.446 760 385 A 73 LEU H A 74 LYS H 1.0 1.956 4.856 761 386 A 12 HIS H A 12 HIS HD2 1.0 1.929 4.563 762 387 A 8 CYS H A 11 TYR HD1 1.0 1.985 5.307 763 387 A 8 CYS H A 11 TYR HD2 1.0 1.985 5.307 764 388 A 25 PHE HD1 A 42 THR H 1.0 1.991 5.479 765 388 A 25 PHE HD2 A 42 THR H 1.0 1.991 5.479 766 389 A 28 PHE HD2 A 29 GLY H 1.0 1.930 4.574 767 389 A 28 PHE HD1 A 29 GLY H 1.0 1.930 4.574 768 390 A 10 GLY H A 11 TYR HD1 1.0 1.999 6.209 769 390 A 10 GLY H A 11 TYR HD2 1.0 1.999 6.209 770 391 A 55 HIS HD2 A 82 ILE H 1.0 2.000 5.866 771 392 A 46 PHE H A 46 PHE HD2 1.0 1.813 3.737 772 392 A 46 PHE H A 46 PHE HD1 1.0 1.813 3.737 773 393 A 76 TRP H A 76 TRP HE3 1.0 0.000 6.000 774 394 A 14 TYR H A 14 TYR HD2 1.0 1.753 3.433 775 394 A 14 TYR H A 14 TYR HD1 1.0 1.753 3.433 776 395 A 14 TYR HD2 A 15 CYS H 1.0 1.832 3.848 777 395 A 14 TYR HD1 A 15 CYS H 1.0 1.832 3.848 778 396 A 61 ILE H A 60 LYS H 1.0 1.653 3.015 779 397 A 25 PHE HE2 A 25 PHE HZ 1.0 0.000 6.000 780 397 A 25 PHE HE1 A 25 PHE HZ 1.0 0.000 6.000 781 398 A 33 TRP HE3 A 33 TRP HZ3 1.0 0.000 6.000 782 399 A 76 TRP HH2 A 76 TRP HZ2 1.0 0.000 6.000 783 400 A 11 TYR H A 11 TYR HD1 1.0 1.888 4.224 784 400 A 11 TYR H A 11 TYR HD2 1.0 1.888 4.224 785 401 A 76 TRP HZ3 A 76 TRP HZ2 1.0 0.000 6.000 786 402 A 25 PHE HE2 A 25 PHE HD1 1.0 1.385 2.179 787 402 A 25 PHE HE1 A 25 PHE HD1 1.0 1.385 2.179 788 402 A 25 PHE HE1 A 25 PHE HD2 1.0 1.385 2.179 789 402 A 25 PHE HE2 A 25 PHE HD2 1.0 1.385 2.179 790 403 A 25 PHE HZ A 25 PHE HD1 1.0 0.000 6.000 791 403 A 25 PHE HZ A 25 PHE HD2 1.0 0.000 6.000 792 404 A 33 TRP HH2 A 33 TRP HZ3 1.0 1.455 2.369 793 405 A 76 TRP HH2 A 76 TRP HZ3 1.0 1.471 2.413 794 406 A 35 GLN HE21 A 35 GLN HE22 1.0 1.259 1.873 795 407 A 50 GLN HE21 A 50 GLN HE22 1.0 1.260 1.874 796 408 A 25 PHE HE2 A 14 TYR HD1 1.0 1.774 3.534 797 408 A 25 PHE HE2 A 14 TYR HD2 1.0 1.774 3.534 798 408 A 25 PHE HE1 A 14 TYR HD2 1.0 1.774 3.534 799 408 A 25 PHE HE1 A 14 TYR HD1 1.0 1.774 3.534 800 409 A 25 PHE HZ A 14 TYR HD2 1.0 0.000 6.000 801 409 A 25 PHE HZ A 14 TYR HD1 1.0 0.000 6.000 802 410 A 7 ARG HE A 11 TYR HE1 1.0 1.993 5.525 803 410 A 7 ARG HE A 11 TYR HE2 1.0 1.993 5.525 804 411 A 67 GLN HE21 A 52 LYS H 1.0 2.000 5.938 805 412 A 46 PHE HE1 A 46 PHE HD2 1.0 0.000 6.000 806 412 A 46 PHE HE1 A 46 PHE HD1 1.0 0.000 6.000 807 412 A 46 PHE HE2 A 46 PHE HD2 1.0 0.000 6.000 808 412 A 46 PHE HE2 A 46 PHE HD1 1.0 0.000 6.000 809 413 A 76 TRP HZ3 A 76 TRP HE3 1.0 1.572 2.728 810 414 A 67 GLN HE21 A 67 GLN HE22 1.0 1.479 2.437 811 415 A 67 GLN HE21 A 55 HIS HD2 1.0 0.000 6.000 812 416 A 28 PHE HD2 A 28 PHE HE2 1.0 0.000 6.000 813 416 A 28 PHE HD2 A 28 PHE HE1 1.0 0.000 6.000 814 416 A 28 PHE HD1 A 28 PHE HE1 1.0 0.000 6.000 815 416 A 28 PHE HD1 A 28 PHE HE2 1.0 0.000 6.000 816 417 A 67 GLN HE21 A 54 GLY H 1.0 1.956 4.860 817 418 A 14 TYR HD2 A 14 TYR HE1 1.0 1.435 2.313 818 418 A 14 TYR HD2 A 14 TYR HE2 1.0 1.435 2.313 819 418 A 14 TYR HD1 A 14 TYR HE2 1.0 1.435 2.313 820 418 A 14 TYR HD1 A 14 TYR HE1 1.0 1.435 2.313 821 419 A 25 PHE HD1 A 14 TYR HE2 1.0 1.842 3.912 822 419 A 25 PHE HD1 A 14 TYR HE1 1.0 1.842 3.912 823 419 A 25 PHE HD2 A 14 TYR HE2 1.0 1.842 3.912 824 419 A 25 PHE HD2 A 14 TYR HE1 1.0 1.842 3.912 825 420 A 25 PHE HZ A 14 TYR HE2 1.0 1.880 4.160 826 420 A 25 PHE HZ A 14 TYR HE1 1.0 1.880 4.160 827 421 A 25 PHE HE2 A 14 TYR HE1 1.0 1.831 3.843 828 421 A 25 PHE HE2 A 14 TYR HE2 1.0 1.831 3.843 829 421 A 25 PHE HE1 A 14 TYR HE2 1.0 1.831 3.843 830 421 A 25 PHE HE1 A 14 TYR HE1 1.0 1.831 3.843 831 422 A 14 TYR H A 14 TYR HE2 1.0 1.983 5.273 832 422 A 14 TYR H A 14 TYR HE1 1.0 1.983 5.273 833 423 A 39 CYS H A 14 TYR HE2 1.0 2.000 5.984 834 423 A 39 CYS H A 14 TYR HE1 1.0 2.000 5.984 835 424 A 57 VAL H A 56 CYS HA 1.0 1.551 2.659 836 425 A 39 CYS H A 39 CYS HA 1.0 1.816 3.758 837 426 A 28 PHE H A 39 CYS HA 1.0 1.819 3.775 838 427 A 39 CYS H A 15 CYS HA 1.0 1.868 4.074 839 428 A 16 ILE H A 15 CYS HA 1.0 1.550 2.654 840 429 A 79 CYS H A 56 CYS HA 1.0 1.872 4.106 841 430 A 56 CYS H A 56 CYS HA 1.0 1.784 3.588 842 431 A 40 VAL H A 39 CYS HA 1.0 1.537 2.615 843 432 A 26 ALA H A 39 CYS HA 1.0 1.876 4.132 844 433 A 37 THR H A 15 CYS HA 1.0 1.972 5.080 845 434 A 77 THR H A 56 CYS HA 1.0 1.956 4.864 846 435 A 15 CYS H A 15 CYS HA 1.0 1.815 3.747 847 436 A 14 TYR H A 15 CYS HA 1.0 0.000 6.000 848 437 A 14 TYR H A 39 CYS HA 1.0 1.989 5.413 849 438 A 79 CYS H A 79 CYS HA 1.0 1.817 3.761 850 439 A 28 PHE H A 30 THR HA 1.0 2.000 5.988 851 440 A 71 CYS H A 71 CYS HA 1.0 1.864 4.048 852 441 A 80 LYS H A 79 CYS HA 1.0 1.546 2.642 853 442 A 79 CYS HA A 66 GLU H 1.0 1.995 5.623 854 443 A 57 VAL H A 57 VAL HA 1.0 1.802 3.680 855 444 A 39 CYS H A 38 CYS HA 1.0 1.566 2.708 856 445 A 16 ILE H A 16 ILE HA 1.0 1.720 3.286 857 446 A 28 PHE H A 27 ALA HA 1.0 1.895 4.267 858 447 A 25 PHE H A 25 PHE HA 1.0 1.781 3.571 859 448 A 25 PHE H A 24 PRO HA 1.0 1.715 3.267 860 449 A 28 PHE H A 28 PHE HA 1.0 1.731 3.333 861 450 A 40 VAL H A 40 VAL HA 1.0 1.789 3.617 862 451 A 55 HIS HA A 56 CYS H 1.0 1.539 2.621 863 452 A 26 ALA H A 25 PHE HA 1.0 1.580 2.752 864 453 A 26 ALA H A 26 ALA HA 1.0 1.811 3.733 865 454 A 37 THR H A 36 LYS HA 1.0 1.984 5.292 866 455 A 41 ASP H A 40 VAL HA 1.0 1.552 2.664 867 456 A 63 CYS HA A 64 LEU H 1.0 1.648 2.994 868 457 A 63 CYS H A 63 CYS HA 1.0 1.764 3.488 869 458 A 41 ASP H A 13 GLY HA3 1.0 1.990 5.428 870 459 A 16 ILE HA A 17 ARG H 1.0 0.000 6.000 871 460 A 17 ARG H A 36 LYS HA 1.0 1.953 4.819 872 461 A 15 CYS H A 14 TYR HA 1.0 1.537 2.611 873 462 A 21 CYS H A 21 CYS HA 1.0 1.736 3.354 874 463 A 49 CYS H A 48 THR HB 1.0 1.727 3.321 875 464 A 66 GLU H A 65 GLU HA 1.0 1.565 2.705 876 465 A 71 CYS H A 70 LEU HA 1.0 1.637 2.953 877 466 A 78 CYS H A 77 THR HA 1.0 1.571 2.725 878 467 A 34 ARG H A 30 THR HB 1.0 1.937 4.641 879 468 A 25 PHE H A 23 LYS HA 1.0 1.568 2.716 880 469 A 16 ILE H A 17 ARG HA 1.0 1.993 5.541 881 470 A 79 CYS H A 54 GLY HA2 1.0 1.991 5.479 882 471 A 37 THR H A 17 ARG HA 1.0 1.966 4.994 883 472 A 41 ASP HA A 25 PHE H 1.0 1.990 5.446 884 473 A 33 TRP HA A 34 ARG H 1.0 1.882 4.178 885 474 A 41 ASP HA A 26 ALA H 1.0 0.000 6.000 886 475 A 80 LYS H A 80 LYS HA 1.0 1.740 3.376 887 476 A 37 THR H A 37 THR HA 1.0 1.806 3.700 888 477 A 41 ASP H A 41 ASP HA 1.0 1.802 3.680 889 478 A 64 LEU H A 64 LEU HA 1.0 1.810 3.720 890 479 A 62 ARG HA A 63 CYS H 1.0 1.516 2.546 891 480 A 17 ARG HA A 17 ARG H 1.0 1.729 3.327 892 481 A 48 THR HA A 49 CYS H 1.0 1.754 3.440 893 482 A 23 LYS H A 23 LYS HA 1.0 1.635 2.947 894 483 A 55 HIS H A 54 GLY HA2 1.0 1.688 3.154 895 484 A 66 GLU HA A 67 GLN H 1.0 1.579 2.751 896 485 A 27 ALA H A 39 CYS HA 1.0 1.969 5.039 897 486 A 79 CYS HA A 68 LEU H 1.0 1.997 5.659 898 487 A 30 THR HA A 30 THR H 1.0 1.815 3.753 899 488 A 79 CYS HA A 81 GLU H 1.0 1.988 5.380 900 489 A 31 CYS H A 30 THR HA 1.0 1.672 3.086 901 490 A 30 THR HA A 38 CYS H 1.0 1.679 3.115 902 491 A 13 GLY H A 13 GLY HA3 1.0 1.784 3.588 903 492 A 68 LEU H A 67 GLN HA 1.0 1.767 3.503 904 493 A 47 HIS H A 47 HIS HA 1.0 1.923 4.509 905 494 A 25 PHE HA A 42 THR H 1.0 1.806 3.704 906 495 A 24 PRO HA A 42 THR H 1.0 1.954 4.834 907 496 A 29 GLY H A 28 PHE HA 1.0 1.498 2.496 908 497 A 28 PHE HA A 30 THR H 1.0 0.000 6.000 909 498 A 10 GLY H A 11 TYR HA 1.0 0.000 6.000 910 499 A 10 GLY H A 14 TYR HA 1.0 1.999 6.219 911 500 A 38 CYS H A 38 CYS HA 1.0 1.862 4.036 912 501 A 76 TRP HA A 76 TRP H 1.0 1.799 3.665 913 502 A 65 GLU H A 63 CYS HA 1.0 1.955 4.843 914 503 A 82 ILE H A 81 GLU HA 1.0 1.527 2.581 915 504 A 65 GLU H A 65 GLU HA 1.0 1.831 3.845 916 505 A 31 CYS H A 30 THR HB 1.0 1.657 3.031 917 506 A 54 GLY H A 54 GLY HA2 1.0 1.749 3.417 918 507 A 4 ASP HA A 7 ARG H 1.0 1.866 4.062 919 508 A 30 THR H A 30 THR HB 1.0 1.954 4.840 920 509 A 47 HIS H A 46 PHE HA 1.0 0.000 6.000 921 510 A 51 ASP H A 51 ASP HA 1.0 1.759 3.463 922 511 A 70 LEU H A 70 LEU HA 1.0 1.767 3.499 923 512 A 23 LYS H A 22 PRO HA 1.0 0.000 6.000 924 513 A 14 TYR H A 40 VAL HA 1.0 1.908 4.368 925 514 A 8 CYS HA A 9 VAL H 1.0 1.830 3.838 926 515 A 43 THR H A 42 THR HA 1.0 1.948 4.752 927 516 A 55 HIS H A 80 LYS HA 1.0 1.930 4.568 928 517 A 74 LYS H A 73 LEU HA 1.0 1.464 2.394 929 518 A 18 SER HA A 19 LYS H 1.0 1.542 2.628 930 519 A 13 GLY H A 12 HIS HA 1.0 1.714 3.258 931 520 A 12 HIS H A 12 HIS HA 1.0 0.000 6.000 932 521 A 8 CYS H A 8 CYS HA 1.0 1.656 3.028 933 522 A 32 SER H A 31 CYS HA 1.0 0.000 6.000 934 523 A 29 GLY HA3 A 29 GLY H 1.0 1.676 3.104 935 524 A 41 ASP HA A 42 THR H 1.0 1.522 2.566 936 525 A 4 ASP H A 4 ASP HA 1.0 1.723 3.299 937 526 A 41 ASP HA A 43 THR H 1.0 0.000 6.000 938 527 A 48 THR HA A 51 ASP H 1.0 1.960 4.912 939 528 A 29 GLY HA3 A 30 THR H 1.0 1.590 2.790 940 529 A 81 GLU H A 80 LYS HA 1.0 1.791 3.621 941 530 A 45 ASP H A 44 SER HA 1.0 0.000 6.000 942 531 A 68 LEU HA A 69 GLY H 1.0 1.590 2.786 943 532 A 37 THR HA A 38 CYS H 1.0 1.570 2.718 944 533 A 20 VAL H A 18 SER HA 1.0 1.851 3.969 945 534 A 61 ILE H A 59 PRO HA 1.0 1.874 4.116 946 535 A 25 PHE HE2 A 40 VAL HA 1.0 1.898 4.294 947 535 A 25 PHE HE1 A 40 VAL HA 1.0 1.898 4.294 948 536 A 11 TYR H A 11 TYR HA 1.0 1.735 3.353 949 537 A 11 TYR H A 12 HIS HA 1.0 0.000 6.000 950 538 A 11 TYR H A 8 CYS HA 1.0 1.890 4.236 951 539 A 52 LYS HA A 52 LYS H 1.0 1.741 3.381 952 540 A 76 TRP HA A 76 TRP HD1 1.0 1.746 3.406 953 541 A 58 SER H A 57 VAL HA 1.0 1.557 2.679 954 542 A 76 TRP HH2 A 57 VAL HA 1.0 1.935 4.625 955 543 A 11 TYR HD1 A 11 TYR HA 1.0 1.598 2.818 956 543 A 11 TYR HD2 A 11 TYR HA 1.0 1.598 2.818 957 544 A 12 HIS HD2 A 11 TYR HA 1.0 1.935 4.625 958 545 A 12 HIS HD2 A 12 HIS HA 1.0 1.858 4.014 959 546 A 11 TYR HD1 A 8 CYS HA 1.0 1.784 3.588 960 546 A 11 TYR HD2 A 8 CYS HA 1.0 1.784 3.588 961 547 A 4 ASP HA A 7 ARG HE 1.0 1.989 5.431 962 548 A 41 ASP HA A 25 PHE HZ 1.0 1.973 5.093 963 549 A 5 THR H A 5 THR HB 1.0 1.822 3.794 964 550 A 60 LYS H A 60 LYS HA 1.0 1.654 3.020 965 551 A 33 TRP HZ2 A 2 PRO HA 1.0 1.784 3.586 966 552 A 61 ILE H A 61 ILE HA 1.0 1.688 3.156 967 553 A 18 SER H A 18 SER HB3 1.0 0.000 6.000 968 554 A 20 VAL H A 18 SER HB3 1.0 1.872 4.108 969 555 A 7 ARG H A 5 THR HB 1.0 1.996 5.628 970 556 A 76 TRP H A 74 LYS HA 1.0 1.861 4.029 971 557 A 82 ILE HA A 82 ILE H 1.0 1.768 3.508 972 558 A 51 ASP H A 50 GLN HA 1.0 1.915 4.435 973 559 A 6 SER H A 5 THR HB 1.0 1.598 2.816 974 560 A 32 SER H A 32 SER HA 1.0 1.844 3.924 975 561 A 76 TRP HZ3 A 57 VAL HA 1.0 1.767 3.503 976 562 A 25 PHE HD1 A 40 VAL HA 1.0 1.757 3.455 977 562 A 25 PHE HD2 A 40 VAL HA 1.0 1.757 3.455 978 563 A 25 PHE HD1 A 25 PHE HA 1.0 1.780 3.564 979 563 A 25 PHE HD2 A 25 PHE HA 1.0 1.780 3.564 980 564 A 28 PHE HD2 A 28 PHE HA 1.0 1.616 2.878 981 564 A 28 PHE HD1 A 28 PHE HA 1.0 1.616 2.878 982 565 A 11 TYR HE1 A 11 TYR HA 1.0 1.880 4.160 983 565 A 11 TYR HE2 A 11 TYR HA 1.0 1.880 4.160 984 566 A 28 PHE HA A 28 PHE HE1 1.0 1.900 4.306 985 566 A 28 PHE HA A 28 PHE HE2 1.0 1.900 4.306 986 567 A 46 PHE HD2 A 46 PHE HA 1.0 1.688 3.154 987 567 A 46 PHE HD1 A 46 PHE HA 1.0 1.688 3.154 988 568 A 55 HIS HD2 A 81 GLU HA 1.0 1.807 3.709 989 569 A 25 PHE HD1 A 23 LYS HA 1.0 1.902 4.328 990 569 A 25 PHE HD2 A 23 LYS HA 1.0 1.902 4.328 991 570 A 67 GLN HE22 A 54 GLY HA2 1.0 1.947 4.745 992 571 A 80 LYS HA A 55 HIS HD2 1.0 1.941 4.685 993 572 A 41 ASP HA A 25 PHE HD1 1.0 1.770 3.518 994 572 A 41 ASP HA A 25 PHE HD2 1.0 1.770 3.518 995 573 A 48 THR HA A 50 GLN HE22 1.0 1.949 4.777 996 574 A 52 LYS H A 50 GLN HA 1.0 1.912 4.414 997 575 A 52 LYS H A 49 CYS HA 1.0 1.938 4.652 998 576 A 76 TRP HD1 A 74 LYS HA 1.0 0.000 6.000 999 577 A 33 TRP HH2 A 2 PRO HA 1.0 1.936 4.630 1000 578 A 33 TRP HD1 A 2 PRO HA 1.0 0.000 6.000 1001 579 A 76 TRP HD1 A 75 ARG HA 1.0 1.949 4.777 1002 580 A 19 LYS H A 18 SER HB3 1.0 1.828 3.828 1003 581 A 74 LYS H A 74 LYS HA 1.0 1.624 2.908 1004 582 A 62 ARG H A 61 ILE HA 1.0 1.454 2.364 1005 583 A 4 ASP H A 2 PRO HA 1.0 1.969 5.035 1006 584 A 4 ASP H A 3 ARG HA 1.0 1.814 3.744 1007 585 A 6 SER HA A 9 VAL H 1.0 1.832 3.852 1008 586 A 50 GLN H A 50 GLN HA 1.0 1.735 3.355 1009 587 A 49 CYS H A 49 CYS HA 1.0 1.863 4.039 1010 588 A 75 ARG H A 74 LYS HA 1.0 0.000 6.000 1011 589 A 75 ARG H A 75 ARG HA 1.0 1.700 3.202 1012 590 A 82 ILE HA A 64 LEU H 1.0 1.909 4.387 1013 591 A 77 THR H A 77 THR HB 1.0 1.708 3.236 1014 592 A 37 THR H A 37 THR HB 1.0 1.661 3.043 1015 593 A 78 CYS H A 77 THR HB 1.0 1.857 4.001 1016 594 A 16 ILE H A 37 THR HB 1.0 1.873 4.107 1017 595 A 57 VAL H A 77 THR HB 1.0 1.938 4.646 1018 596 A 76 TRP HE1 A 76 TRP HA 1.0 1.993 5.555 1019 597 A 76 TRP HE1 A 73 LEU HA 1.0 1.996 5.658 1020 598 A 33 TRP HE1 A 2 PRO HA 1.0 1.813 3.739 1021 599 A 2 PRO HD2 A 33 TRP HE1 1.0 1.984 5.302 1022 600 A 33 TRP HE1 A 33 TRP HB2 1.0 1.972 5.092 1023 601 A 28 PHE H A 29 GLY HA2 1.0 2.000 5.902 1024 602 A 25 PHE H A 22 PRO HD3 1.0 1.997 5.669 1025 603 A 13 GLY HA2 A 39 CYS H 1.0 1.983 5.275 1026 604 A 34 ARG H A 34 ARG HA 1.0 1.779 3.565 1027 605 A 71 CYS H A 71 CYS HB3 1.0 1.911 4.405 1028 606 A 71 CYS H A 72 PRO HD2 1.0 1.999 6.119 1029 607 A 41 ASP H A 13 GLY HA2 1.0 1.976 5.158 1030 608 A 21 CYS H A 22 PRO HD2 1.0 1.967 5.009 1031 609 A 21 CYS H A 22 PRO HD3 1.0 1.962 4.938 1032 610 A 9 VAL H A 9 VAL HA 1.0 1.650 3.004 1033 611 A 43 THR H A 44 SER HB2 1.0 1.966 4.998 1034 612 A 13 GLY H A 9 VAL HA 1.0 1.751 3.425 1035 613 A 18 SER HB2 A 19 LYS H 1.0 1.859 4.015 1036 614 A 5 THR HA A 8 CYS H 1.0 1.735 3.353 1037 615 A 6 SER H A 6 SER HA 1.0 1.629 2.925 1038 616 A 70 LEU H A 69 GLY HA3 1.0 1.754 3.440 1039 617 A 29 GLY H A 29 GLY HA2 1.0 1.606 2.842 1040 618 A 10 GLY H A 7 ARG HA 1.0 1.899 4.309 1041 619 A 76 TRP H A 75 ARG HA 1.0 1.836 3.874 1042 620 A 69 GLY H A 69 GLY HA3 1.0 1.837 3.875 1043 621 A 7 ARG H A 7 ARG HA 1.0 1.759 3.463 1044 622 A 38 CYS H A 37 THR HB 1.0 1.940 4.678 1045 623 A 7 ARG H A 6 SER HA 1.0 1.893 4.259 1046 624 A 30 THR H A 29 GLY HA2 1.0 1.660 3.040 1047 625 A 70 LEU H A 69 GLY HA2 1.0 1.708 3.234 1048 626 A 13 GLY H A 13 GLY HA2 1.0 1.678 3.112 1049 627 A 32 SER H A 32 SER HB2 1.0 1.774 3.538 1050 628 A 12 HIS H A 12 HIS HB2 1.0 1.848 3.950 1051 629 A 14 TYR H A 13 GLY HA2 1.0 1.658 3.036 1052 630 A 45 ASP H A 44 SER HB2 1.0 1.876 4.130 1053 631 A 45 ASP H A 44 SER HB3 1.0 1.891 4.245 1054 632 A 69 GLY H A 69 GLY HA2 1.0 1.825 3.805 1055 633 A 44 SER H A 44 SER HB2 1.0 1.826 3.814 1056 634 A 44 SER H A 44 SER HB3 1.0 1.838 3.884 1057 635 A 35 GLN H A 34 ARG HA 1.0 0.000 6.000 1058 636 A 76 TRP H A 71 CYS HB3 1.0 1.973 5.087 1059 637 A 20 VAL H A 18 SER HB2 1.0 1.816 3.754 1060 638 A 18 SER H A 18 SER HB2 1.0 1.687 3.147 1061 639 A 2 PRO HD2 A 33 TRP HZ2 1.0 0.000 6.000 1062 640 A 10 GLY HA2 A 11 TYR H 1.0 1.704 3.218 1063 641 A 53 GLY HA2 A 52 LYS H 1.0 1.957 4.867 1064 642 A 10 GLY HA2 A 11 TYR HD1 1.0 1.954 4.828 1065 642 A 10 GLY HA2 A 11 TYR HD2 1.0 1.954 4.828 1066 643 A 33 TRP HE3 A 33 TRP HB2 1.0 0.000 6.000 1067 644 A 3 ARG H A 32 SER HB2 1.0 1.983 5.279 1068 645 A 33 TRP HD1 A 33 TRP HB2 1.0 1.617 2.883 1069 646 A 76 TRP HE3 A 72 PRO HD3 1.0 2.000 5.916 1070 647 A 28 PHE HD2 A 29 GLY HA2 1.0 1.983 5.267 1071 647 A 28 PHE HD1 A 29 GLY HA2 1.0 1.983 5.267 1072 648 A 25 PHE HD1 A 22 PRO HD2 1.0 1.974 5.106 1073 648 A 25 PHE HD2 A 22 PRO HD2 1.0 1.974 5.106 1074 649 A 46 PHE HE1 A 44 SER HB2 1.0 1.980 5.224 1075 649 A 46 PHE HE2 A 44 SER HB2 1.0 1.980 5.224 1076 650 A 25 PHE HD1 A 22 PRO HD3 1.0 1.903 4.337 1077 650 A 25 PHE HD2 A 22 PRO HD3 1.0 1.903 4.337 1078 651 A 76 TRP HE3 A 71 CYS HB3 1.0 1.953 4.817 1079 652 A 35 GLN HE22 A 33 TRP HB2 1.0 1.994 5.562 1080 653 A 13 GLY HA2 A 14 TYR HD2 1.0 1.931 4.583 1081 653 A 13 GLY HA2 A 14 TYR HD1 1.0 1.931 4.583 1082 654 A 10 GLY HA2 A 11 TYR HE1 1.0 1.994 5.568 1083 654 A 10 GLY HA2 A 11 TYR HE2 1.0 1.994 5.568 1084 655 A 11 TYR HE1 A 7 ARG HA 1.0 1.993 5.535 1085 655 A 11 TYR HE2 A 7 ARG HA 1.0 1.993 5.535 1086 656 A 25 PHE HB3 A 25 PHE HD1 1.0 1.633 2.941 1087 656 A 25 PHE HB3 A 25 PHE HD2 1.0 1.633 2.941 1088 657 A 76 TRP HE3 A 56 CYS HB2 1.0 1.769 3.513 1089 658 A 25 PHE HD1 A 24 PRO HD2 1.0 1.745 3.401 1090 658 A 25 PHE HD2 A 24 PRO HD2 1.0 1.745 3.401 1091 659 A 76 TRP HZ3 A 56 CYS HB2 1.0 1.871 4.097 1092 660 A 11 TYR HD1 A 11 TYR HB2 1.0 1.694 3.180 1093 660 A 11 TYR HD2 A 11 TYR HB2 1.0 1.694 3.180 1094 661 A 76 TRP HH2 A 58 SER HB2 1.0 1.961 4.921 1095 662 A 58 SER H A 58 SER HB2 1.0 1.816 3.754 1096 663 A 76 TRP HD1 A 58 SER HB2 1.0 1.935 4.619 1097 664 A 60 LYS H A 58 SER HB2 1.0 1.935 4.617 1098 665 A 58 SER HB2 A 76 TRP HZ2 1.0 1.835 3.865 1099 666 A 11 TYR H A 11 TYR HB2 1.0 1.774 3.538 1100 667 A 25 PHE HE2 A 24 PRO HD2 1.0 1.819 3.775 1101 667 A 25 PHE HE1 A 24 PRO HD2 1.0 1.819 3.775 1102 668 A 5 THR H A 2 PRO HD3 1.0 1.980 5.234 1103 669 A 60 LYS H A 59 PRO HD3 1.0 1.843 3.919 1104 670 A 76 TRP HZ2 A 59 PRO HD3 1.0 1.976 5.148 1105 671 A 33 TRP HE3 A 33 TRP HB3 1.0 1.725 3.309 1106 672 A 76 TRP HD1 A 59 PRO HD3 1.0 1.832 3.848 1107 673 A 67 GLN HE22 A 54 GLY HA3 1.0 1.978 5.180 1108 674 A 76 TRP HZ3 A 56 CYS HB3 1.0 1.802 3.680 1109 675 A 76 TRP HZ3 A 76 TRP HB2 1.0 0.000 6.000 1110 676 A 76 TRP HE3 A 56 CYS HB3 1.0 1.679 3.117 1111 677 A 76 TRP HB2 A 76 TRP HE3 1.0 1.732 3.338 1112 678 A 46 PHE HB3 A 46 PHE HD2 1.0 1.667 3.071 1113 678 A 46 PHE HB3 A 46 PHE HD1 1.0 1.667 3.071 1114 679 A 46 PHE HE1 A 46 PHE HB3 1.0 1.902 4.324 1115 679 A 46 PHE HE2 A 46 PHE HB3 1.0 1.902 4.324 1116 680 A 11 TYR HD1 A 8 CYS HB2 1.0 0.000 6.000 1117 680 A 11 TYR HD2 A 8 CYS HB2 1.0 0.000 6.000 1118 681 A 47 HIS HD2 A 47 HIS HB2 1.0 1.903 4.339 1119 682 A 76 TRP HD1 A 76 TRP HB3 1.0 1.829 3.829 1120 683 A 76 TRP HD1 A 76 TRP HB2 1.0 1.856 4.000 1121 684 A 11 TYR H A 8 CYS HB2 1.0 1.959 4.905 1122 685 A 11 TYR HE1 A 11 TYR HB2 1.0 1.948 4.772 1123 685 A 11 TYR HE2 A 11 TYR HB2 1.0 1.948 4.772 1124 686 A 67 GLN HE21 A 54 GLY HA3 1.0 1.958 4.888 1125 687 A 28 PHE HE1 A 28 PHE HB3 1.0 1.911 4.407 1126 687 A 28 PHE HE2 A 28 PHE HB3 1.0 1.911 4.407 1127 688 A 46 PHE HB2 A 28 PHE HZ 1.0 1.976 5.158 1128 689 A 55 HIS HB3 A 55 HIS HD2 1.0 1.853 3.977 1129 690 A 11 TYR HD1 A 11 TYR HB3 1.0 1.677 3.107 1130 690 A 11 TYR HD2 A 11 TYR HB3 1.0 1.677 3.107 1131 691 A 46 PHE HB2 A 46 PHE HD2 1.0 1.661 3.045 1132 691 A 46 PHE HB2 A 46 PHE HD1 1.0 1.661 3.045 1133 692 A 28 PHE HD2 A 28 PHE HB3 1.0 1.624 2.908 1134 692 A 28 PHE HD1 A 28 PHE HB3 1.0 1.624 2.908 1135 693 A 51 ASP HB3 A 52 LYS H 1.0 1.833 3.853 1136 694 A 76 TRP HH2 A 58 SER HB3 1.0 1.910 4.390 1137 695 A 58 SER HB3 A 58 SER H 1.0 1.715 3.263 1138 696 A 11 TYR H A 11 TYR HB3 1.0 1.689 3.157 1139 697 A 58 SER HB3 A 60 LYS H 1.0 1.965 4.987 1140 698 A 58 SER HB3 A 76 TRP HZ2 1.0 1.848 3.944 1141 699 A 58 SER HB3 A 61 ILE H 1.0 1.978 5.186 1142 700 A 78 CYS HB3 A 69 GLY H 1.0 1.987 5.375 1143 701 A 32 SER H A 32 SER HB3 1.0 1.693 3.175 1144 702 A 12 HIS H A 11 TYR HB2 1.0 1.984 5.298 1145 703 A 13 GLY H A 11 TYR HB2 1.0 1.973 5.107 1146 704 A 6 SER H A 2 PRO HD3 1.0 0.000 6.000 1147 705 A 54 GLY H A 54 GLY HA3 1.0 1.622 2.900 1148 706 A 76 TRP H A 76 TRP HB3 1.0 1.748 3.410 1149 707 A 76 TRP H A 76 TRP HB2 1.0 1.813 3.743 1150 708 A 65 GLU H A 79 CYS HB3 1.0 1.941 4.687 1151 709 A 7 ARG H A 8 CYS HB2 1.0 1.999 5.821 1152 710 A 81 GLU H A 79 CYS HB3 1.0 0.000 6.000 1153 711 A 10 GLY H A 8 CYS HB2 1.0 1.996 5.640 1154 712 A 46 PHE H A 46 PHE HB3 1.0 1.783 3.583 1155 713 A 51 ASP H A 51 ASP HB3 1.0 1.753 3.433 1156 714 A 38 CYS HB3 A 30 THR H 1.0 1.957 4.873 1157 715 A 31 CYS H A 38 CYS HB3 1.0 1.966 5.000 1158 716 A 78 CYS HB2 A 69 GLY H 1.0 1.985 5.323 1159 717 A 38 CYS HB3 A 38 CYS H 1.0 1.743 3.391 1160 718 A 76 TRP H A 71 CYS HB2 1.0 1.980 5.208 1161 719 A 67 GLN H A 78 CYS HB3 1.0 1.985 5.309 1162 720 A 21 CYS H A 25 PHE HB3 1.0 0.000 6.000 1163 721 A 4 ASP H A 2 PRO HD3 1.0 1.997 6.287 1164 722 A 55 HIS H A 54 GLY HA3 1.0 1.664 3.056 1165 723 A 9 VAL H A 8 CYS HB2 1.0 1.714 3.260 1166 724 A 8 CYS HB3 A 9 VAL H 1.0 1.819 3.777 1167 725 A 67 GLN H A 79 CYS HB3 1.0 1.968 5.034 1168 726 A 78 CYS HB2 A 67 GLN H 1.0 1.992 5.502 1169 727 A 8 CYS H A 8 CYS HB2 1.0 1.657 3.029 1170 728 A 46 PHE HB3 A 47 HIS H 1.0 1.828 3.824 1171 729 A 8 CYS H A 8 CYS HB3 1.0 1.626 2.916 1172 730 A 47 HIS H A 47 HIS HB2 1.0 1.818 3.770 1173 731 A 63 CYS H A 63 CYS HB3 1.0 1.702 3.210 1174 732 A 77 THR H A 76 TRP HB2 1.0 1.797 3.653 1175 733 A 80 LYS H A 79 CYS HB3 1.0 1.825 3.811 1176 734 A 78 CYS H A 78 CYS HB3 1.0 1.688 3.156 1177 735 A 56 CYS H A 56 CYS HB2 1.0 1.695 3.181 1178 736 A 79 CYS H A 78 CYS HB3 1.0 1.937 4.639 1179 737 A 25 PHE HB3 A 25 PHE H 1.0 1.642 2.972 1180 738 A 25 PHE H A 24 PRO HD2 1.0 0.000 6.000 1181 739 A 57 VAL H A 56 CYS HB2 1.0 1.942 4.704 1182 740 A 79 CYS H A 79 CYS HB3 1.0 1.756 3.450 1183 741 A 57 VAL H A 56 CYS HB3 1.0 1.901 4.319 1184 742 A 57 VAL H A 76 TRP HB2 1.0 1.954 4.832 1185 743 A 76 TRP HE1 A 58 SER HB2 1.0 1.926 4.534 1186 744 A 32 SER HB3 A 33 TRP HE1 1.0 1.999 6.111 1187 745 A 76 TRP HE1 A 59 PRO HD3 1.0 1.876 4.126 1188 746 A 76 TRP HE1 A 76 TRP HB3 1.0 2.000 5.996 1189 747 A 76 TRP HE1 A 76 TRP HB2 1.0 1.996 6.364 1190 748 A 76 TRP HE1 A 58 SER HB3 1.0 1.976 5.164 1191 749 A 76 TRP HE1 A 59 PRO HD2 1.0 1.873 4.115 1192 750 A 39 CYS H A 38 CYS HB3 1.0 1.969 5.029 1193 751 A 28 PHE H A 38 CYS HB3 1.0 1.964 4.970 1194 752 A 28 PHE H A 28 PHE HB3 1.0 1.729 3.325 1195 753 A 79 CYS H A 78 CYS HB2 1.0 1.932 4.586 1196 754 A 78 CYS H A 78 CYS HB2 1.0 1.720 3.284 1197 755 A 40 VAL H A 28 PHE HB3 1.0 1.977 5.177 1198 756 A 56 CYS H A 55 HIS HB3 1.0 1.827 3.817 1199 757 A 71 CYS H A 71 CYS HB2 1.0 1.828 3.824 1200 758 A 55 HIS H A 55 HIS HB3 1.0 1.780 3.566 1201 759 A 15 CYS H A 15 CYS HB3 1.0 1.696 3.186 1202 760 A 49 CYS HB2 A 49 CYS H 1.0 1.691 3.163 1203 761 A 41 ASP H A 41 ASP HB3 1.0 1.665 3.063 1204 762 A 63 CYS HB2 A 64 LEU H 1.0 1.965 4.981 1205 763 A 63 CYS H A 63 CYS HB2 1.0 1.796 3.648 1206 764 A 55 HIS H A 79 CYS HB2 1.0 1.953 4.829 1207 765 A 4 ASP H A 4 ASP HB2 1.0 1.840 3.898 1208 766 A 43 THR H A 41 ASP HB3 1.0 1.973 5.095 1209 767 A 49 CYS HB2 A 67 GLN H 1.0 1.996 6.360 1210 768 A 13 GLY H A 11 TYR HB3 1.0 1.928 4.556 1211 769 A 12 HIS H A 11 TYR HB3 1.0 1.885 4.199 1212 770 A 29 GLY H A 28 PHE HB3 1.0 1.962 4.936 1213 771 A 57 VAL H A 79 CYS HB2 1.0 1.989 5.423 1214 772 A 25 PHE H A 25 PHE HB2 1.0 0.000 6.000 1215 773 A 39 CYS H A 25 PHE HB2 1.0 0.000 6.000 1216 774 A 40 VAL H A 25 PHE HB2 1.0 1.917 4.455 1217 775 A 26 ALA H A 25 PHE HB2 1.0 1.713 3.259 1218 776 A 28 PHE H A 28 PHE HB2 1.0 1.743 3.391 1219 777 A 79 CYS H A 79 CYS HB2 1.0 1.743 3.393 1220 778 A 77 THR H A 59 PRO HD2 1.0 1.989 5.423 1221 779 A 50 GLN H A 50 GLN HG2 1.0 1.954 4.826 1222 780 A 62 ARG H A 63 CYS HB2 1.0 1.971 5.073 1223 781 A 42 THR H A 41 ASP HB3 1.0 1.904 4.344 1224 782 A 28 PHE HB2 A 29 GLY H 1.0 1.901 4.319 1225 783 A 29 GLY H A 52 LYS HE3 1.0 1.984 5.300 1226 784 A 30 THR H A 52 LYS HE3 1.0 1.941 4.689 1227 785 A 10 GLY H A 11 TYR HB3 1.0 1.983 5.267 1228 786 A 46 PHE H A 46 PHE HB2 1.0 0.000 6.000 1229 787 A 51 ASP H A 51 ASP HB2 1.0 1.823 3.797 1230 788 A 79 CYS HB2 A 82 ILE H 1.0 1.988 5.402 1231 789 A 7 ARG H A 4 ASP HB2 1.0 2.000 5.954 1232 790 A 35 GLN H A 35 GLN HG2 1.0 1.713 3.257 1233 791 A 76 TRP H A 59 PRO HD2 1.0 1.991 5.481 1234 792 A 4 ASP H A 4 ASP HB3 1.0 1.775 3.539 1235 793 A 15 CYS H A 15 CYS HB2 1.0 0.000 6.000 1236 794 A 14 TYR H A 39 CYS HB3 1.0 1.961 4.923 1237 795 A 8 CYS H A 4 ASP HB3 1.0 1.993 5.517 1238 796 A 36 LYS H A 35 GLN HG3 1.0 1.949 4.765 1239 797 A 38 CYS HB2 A 30 THR H 1.0 1.969 5.025 1240 798 A 51 ASP H A 50 GLN HG2 1.0 1.989 5.431 1241 799 A 45 ASP H A 45 ASP HB2 1.0 1.730 3.328 1242 800 A 35 GLN H A 35 GLN HG3 1.0 1.755 3.447 1243 801 A 31 CYS H A 38 CYS HB2 1.0 1.991 5.477 1244 802 A 35 GLN HE21 A 35 GLN HG2 1.0 1.832 3.848 1245 803 A 60 LYS H A 59 PRO HD2 1.0 1.955 4.843 1246 804 A 25 PHE HE2 A 41 ASP HB3 1.0 1.851 3.971 1247 804 A 25 PHE HE1 A 41 ASP HB3 1.0 1.851 3.971 1248 805 A 76 TRP HD1 A 59 PRO HD2 1.0 1.748 3.414 1249 806 A 25 PHE HZ A 41 ASP HB3 1.0 1.941 4.681 1250 807 A 33 TRP HD1 A 35 GLN HG2 1.0 1.968 5.030 1251 808 A 79 CYS HB2 A 55 HIS HD2 1.0 1.992 5.482 1252 809 A 25 PHE HD1 A 25 PHE HB2 1.0 1.641 2.969 1253 809 A 25 PHE HD2 A 25 PHE HB2 1.0 1.641 2.969 1254 810 A 28 PHE HD2 A 28 PHE HB2 1.0 1.656 3.026 1255 810 A 28 PHE HD1 A 28 PHE HB2 1.0 1.656 3.026 1256 811 A 35 GLN HE22 A 35 GLN HG2 1.0 1.909 4.389 1257 812 A 28 PHE HB2 A 28 PHE HE1 1.0 1.922 4.496 1258 812 A 28 PHE HB2 A 28 PHE HE2 1.0 1.922 4.496 1259 813 A 39 CYS HB3 A 25 PHE HD1 1.0 1.777 3.549 1260 813 A 39 CYS HB3 A 25 PHE HD2 1.0 1.777 3.549 1261 814 A 35 GLN HG3 A 35 GLN HE22 1.0 1.937 4.643 1262 815 A 14 TYR HD2 A 39 CYS HB3 1.0 0.000 6.000 1263 815 A 14 TYR HD1 A 39 CYS HB3 1.0 0.000 6.000 1264 816 A 50 GLN HE22 A 50 GLN HG2 1.0 1.918 4.460 1265 817 A 50 GLN HE22 A 50 GLN HG3 1.0 1.937 4.645 1266 818 A 75 ARG HE A 75 ARG HB3 1.0 1.963 4.951 1267 819 A 34 ARG HE A 34 ARG HB2 1.0 1.969 5.037 1268 820 A 76 TRP HD1 A 75 ARG HB3 1.0 1.849 3.953 1269 821 A 5 THR H A 4 ASP HB3 1.0 1.972 5.078 1270 822 A 50 GLN HE21 A 50 GLN HG2 1.0 1.776 3.548 1271 823 A 50 GLN HE21 A 50 GLN HG3 1.0 1.845 3.927 1272 824 A 65 GLU H A 63 CYS HB2 1.0 1.995 5.603 1273 825 A 38 CYS HB2 A 38 CYS H 1.0 1.785 3.591 1274 826 A 76 TRP H A 75 ARG HB3 1.0 1.962 4.934 1275 827 A 35 GLN H A 35 GLN HB3 1.0 1.748 3.412 1276 828 A 65 GLU H A 65 GLU HG2 1.0 1.988 5.408 1277 829 A 65 GLU H A 65 GLU HG3 1.0 1.996 5.656 1278 830 A 76 TRP HZ2 A 58 SER HA 1.0 1.921 4.489 1279 831 A 60 LYS H A 58 SER HA 1.0 1.989 5.415 1280 832 A 25 PHE HE2 A 22 PRO HG3 1.0 1.982 5.260 1281 832 A 25 PHE HE1 A 22 PRO HG3 1.0 1.982 5.260 1282 833 A 35 GLN HE22 A 35 GLN HB3 1.0 1.990 5.448 1283 834 A 67 GLN HE21 A 67 GLN HG3 1.0 1.926 4.538 1284 835 A 67 GLN HE21 A 52 LYS HB2 1.0 1.880 4.166 1285 836 A 14 TYR HD2 A 16 ILE HB 1.0 0.000 6.000 1286 836 A 14 TYR HD1 A 16 ILE HB 1.0 0.000 6.000 1287 837 A 35 GLN HB2 A 35 GLN HE22 1.0 1.990 5.436 1288 838 A 40 VAL HB A 28 PHE HE1 1.0 1.969 5.029 1289 838 A 40 VAL HB A 28 PHE HE2 1.0 1.969 5.029 1290 839 A 11 TYR HE1 A 7 ARG HG3 1.0 1.827 3.823 1291 839 A 11 TYR HE2 A 7 ARG HG3 1.0 1.827 3.823 1292 840 A 14 TYR HD2 A 39 CYS HB2 1.0 1.895 4.269 1293 840 A 14 TYR HD1 A 39 CYS HB2 1.0 1.895 4.269 1294 841 A 67 GLN HE21 A 52 LYS HB3 1.0 1.901 4.323 1295 842 A 76 TRP HE3 A 58 SER HA 1.0 1.969 5.033 1296 843 A 76 TRP HZ3 A 58 SER HA 1.0 1.984 5.320 1297 844 A 25 PHE HD1 A 22 PRO HG3 1.0 1.811 3.731 1298 844 A 25 PHE HD2 A 22 PRO HG3 1.0 1.811 3.731 1299 845 A 76 TRP HH2 A 58 SER HA 1.0 1.990 5.444 1300 846 A 76 TRP HD1 A 58 SER HA 1.0 1.879 4.147 1301 847 A 58 SER H A 58 SER HA 1.0 1.841 3.901 1302 848 A 75 ARG HE A 75 ARG HB2 1.0 1.956 4.856 1303 849 A 34 ARG HE A 34 ARG HB3 1.0 1.951 4.797 1304 850 A 76 TRP HD1 A 75 ARG HB2 1.0 1.935 4.623 1305 851 A 25 PHE HZ A 41 ASP HB2 1.0 1.888 4.220 1306 852 A 57 VAL HB A 58 SER H 1.0 1.691 3.165 1307 853 A 57 VAL HB A 76 TRP HE3 1.0 1.982 5.268 1308 854 A 28 PHE HD2 A 40 VAL HB 1.0 1.872 4.108 1309 854 A 28 PHE HD1 A 40 VAL HB 1.0 1.872 4.108 1310 855 A 40 VAL HB A 25 PHE HD1 1.0 1.982 5.246 1311 855 A 40 VAL HB A 25 PHE HD2 1.0 1.982 5.246 1312 856 A 25 PHE HD1 A 39 CYS HB2 1.0 1.835 3.867 1313 856 A 25 PHE HD2 A 39 CYS HB2 1.0 1.835 3.867 1314 857 A 25 PHE HD1 A 22 PRO HB3 1.0 1.793 3.631 1315 857 A 25 PHE HD2 A 22 PRO HB3 1.0 1.793 3.631 1316 858 A 76 TRP HZ3 A 57 VAL HB 1.0 1.988 5.398 1317 859 A 67 GLN HE22 A 52 LYS HB2 1.0 1.949 4.779 1318 860 A 33 TRP HZ3 A 3 ARG HB3 1.0 1.878 4.148 1319 861 A 67 GLN HE22 A 67 GLN HG2 1.0 1.914 4.424 1320 862 A 33 TRP HH2 A 3 ARG HB3 1.0 1.867 4.073 1321 863 A 25 PHE HE2 A 41 ASP HB2 1.0 1.795 3.641 1322 863 A 25 PHE HE1 A 41 ASP HB2 1.0 1.795 3.641 1323 864 A 50 GLN HE21 A 50 GLN HB2 1.0 1.941 4.683 1324 865 A 18 SER H A 17 ARG HB2 1.0 0.000 6.000 1325 866 A 18 SER H A 16 ILE HB 1.0 1.720 3.286 1326 867 A 3 ARG H A 3 ARG HB3 1.0 1.981 5.241 1327 868 A 3 ARG H A 3 ARG HB2 1.0 1.921 4.487 1328 869 A 61 ILE H A 61 ILE HB 1.0 1.599 2.819 1329 870 A 33 TRP HZ2 A 3 ARG HB3 1.0 1.963 4.959 1330 871 A 20 VAL H A 20 VAL HB 1.0 1.633 2.941 1331 872 A 76 TRP H A 75 ARG HB2 1.0 1.938 4.662 1332 873 A 76 TRP H A 58 SER HA 1.0 1.994 5.568 1333 874 A 82 ILE H A 81 GLU HG3 1.0 1.951 4.805 1334 875 A 82 ILE H A 81 GLU HG2 1.0 1.968 5.014 1335 876 A 50 GLN HB3 A 51 ASP H 1.0 1.877 4.133 1336 877 A 10 GLY H A 9 VAL HB 1.0 0.000 6.000 1337 878 A 82 ILE H A 81 GLU HB3 1.0 1.838 3.882 1338 879 A 82 ILE H A 81 GLU HB2 1.0 0.000 6.000 1339 880 A 81 GLU H A 81 GLU HB2 1.0 1.874 4.120 1340 881 A 31 CYS H A 36 LYS HB2 1.0 1.969 5.035 1341 882 A 7 ARG H A 7 ARG HG3 1.0 1.925 4.531 1342 883 A 65 GLU H A 64 LEU HB2 1.0 1.861 4.031 1343 884 A 7 ARG H A 7 ARG HG2 1.0 0.000 6.000 1344 885 A 35 GLN H A 34 ARG HG2 1.0 1.967 4.997 1345 886 A 65 GLU H A 64 LEU HB3 1.0 1.915 4.441 1346 887 A 20 VAL H A 19 LYS HB3 1.0 1.853 3.983 1347 888 A 61 ILE H A 60 LYS HB3 1.0 1.947 4.749 1348 889 A 18 SER H A 17 ARG HB3 1.0 1.784 3.590 1349 890 A 3 ARG H A 2 PRO HB2 1.0 1.865 4.057 1350 891 A 60 LYS H A 60 LYS HB2 1.0 1.661 3.047 1351 892 A 18 SER H A 16 ILE HG12 1.0 1.770 3.514 1352 893 A 33 TRP HZ2 A 2 PRO HB2 1.0 1.979 5.213 1353 894 A 61 ILE H A 60 LYS HB2 1.0 1.900 4.312 1354 895 A 20 VAL H A 19 LYS HG2 1.0 1.991 5.471 1355 896 A 20 VAL H A 19 LYS HG3 1.0 1.981 5.233 1356 897 A 35 GLN H A 34 ARG HG3 1.0 1.928 4.558 1357 898 A 82 ILE HB A 82 ILE H 1.0 1.778 3.556 1358 899 A 81 GLU H A 80 LYS HB3 1.0 1.942 4.694 1359 900 A 81 GLU H A 80 LYS HB2 1.0 1.924 4.512 1360 901 A 36 LYS H A 35 GLN HB3 1.0 1.909 4.387 1361 902 A 67 GLN H A 66 GLU HG3 1.0 0.000 6.000 1362 903 A 43 THR H A 24 PRO HG3 1.0 1.995 5.595 1363 904 A 67 GLN H A 66 GLU HG2 1.0 1.940 4.674 1364 905 A 13 GLY H A 9 VAL HB 1.0 1.999 5.829 1365 906 A 68 LEU H A 67 GLN HG3 1.0 1.984 5.292 1366 907 A 36 LYS H A 35 GLN HB2 1.0 1.853 3.979 1367 908 A 8 CYS H A 9 VAL HB 1.0 1.975 5.145 1368 909 A 67 GLN HB2 A 68 LEU H 1.0 1.773 3.531 1369 910 A 36 LYS H A 36 LYS HB2 1.0 1.866 4.064 1370 911 A 8 CYS H A 7 ARG HG3 1.0 1.959 4.903 1371 912 A 23 LYS H A 22 PRO HB2 1.0 1.773 3.531 1372 913 A 50 GLN H A 50 GLN HG3 1.0 1.892 4.252 1373 914 A 75 ARG H A 75 ARG HB3 1.0 1.967 5.007 1374 915 A 66 GLU H A 66 GLU HG3 1.0 1.889 4.229 1375 916 A 77 THR H A 58 SER HA 1.0 1.945 4.723 1376 917 A 37 THR H A 15 CYS HB2 1.0 1.993 5.515 1377 918 A 26 ALA H A 39 CYS HB3 1.0 1.887 4.209 1378 919 A 40 VAL H A 39 CYS HB3 1.0 1.874 4.118 1379 920 A 28 PHE H A 38 CYS HB2 1.0 1.968 5.010 1380 921 A 39 CYS H A 38 CYS HB2 1.0 1.951 4.799 1381 922 A 39 CYS H A 39 CYS HB3 1.0 1.833 3.851 1382 923 A 25 PHE H A 22 PRO HG3 1.0 1.993 5.541 1383 924 A 25 PHE H A 24 PRO HG3 1.0 0.000 6.000 1384 925 A 34 ARG HB2 A 34 ARG H 1.0 1.994 5.568 1385 926 A 78 CYS H A 66 GLU HG2 1.0 1.997 5.665 1386 927 A 34 ARG HB3 A 34 ARG H 1.0 1.975 5.137 1387 928 A 57 VAL HB A 57 VAL H 1.0 1.881 4.169 1388 929 A 25 PHE H A 24 PRO HG2 1.0 1.973 5.107 1389 930 A 25 PHE H A 22 PRO HB3 1.0 1.997 5.711 1390 931 A 16 ILE H A 16 ILE HB 1.0 1.860 4.026 1391 932 A 16 ILE H A 36 LYS HB2 1.0 1.867 4.065 1392 933 A 39 CYS H A 39 CYS HB2 1.0 1.756 3.450 1393 934 A 40 VAL H A 40 VAL HB 1.0 1.748 3.412 1394 935 A 66 GLU H A 66 GLU HB2 1.0 1.866 4.064 1395 936 A 41 ASP H A 41 ASP HB2 1.0 1.697 3.189 1396 937 A 50 GLN H A 50 GLN HB2 1.0 1.704 3.218 1397 938 A 50 GLN H A 50 GLN HB3 1.0 1.764 3.488 1398 939 A 17 ARG HB2 A 17 ARG H 1.0 1.753 3.435 1399 940 A 16 ILE HB A 17 ARG H 1.0 1.662 3.050 1400 941 A 67 GLN HB3 A 80 LYS H 1.0 1.735 3.355 1401 942 A 37 THR H A 36 LYS HB2 1.0 1.735 3.351 1402 943 A 80 LYS H A 80 LYS HB2 1.0 1.726 3.312 1403 944 A 4 ASP H A 3 ARG HB3 1.0 1.840 3.902 1404 945 A 19 LYS HB2 A 19 LYS H 1.0 0.000 6.000 1405 946 A 4 ASP H A 3 ARG HB2 1.0 1.774 3.540 1406 947 A 7 ARG HG3 A 12 HIS HE1 1.0 1.974 5.110 1407 948 A 14 TYR H A 39 CYS HB2 1.0 1.920 4.478 1408 949 A 19 LYS HB3 A 19 LYS H 1.0 1.667 3.069 1409 950 A 67 GLN H A 80 LYS HB3 1.0 1.982 5.262 1410 951 A 70 LEU H A 70 LEU HB3 1.0 1.763 3.487 1411 952 A 70 LEU H A 70 LEU HB2 1.0 1.763 3.483 1412 953 A 6 SER H A 1 LEU HB2 1.0 1.887 4.215 1413 954 A 62 ARG H A 62 ARG HG2 1.0 1.888 4.218 1414 955 A 19 LYS HG2 A 19 LYS H 1.0 1.781 3.571 1415 956 A 19 LYS HG3 A 19 LYS H 1.0 1.829 3.827 1416 957 A 4 ASP H A 2 PRO HB2 1.0 1.865 4.057 1417 958 A 4 ASP H A 5 THR HG2% 1.0 1.992 5.492 1418 959 A 5 THR HG2% A 9 VAL H 1.0 1.901 4.319 1419 960 A 82 ILE HG12 A 82 ILE H 1.0 1.839 3.887 1420 961 A 51 ASP H A 48 THR HG2% 1.0 1.976 5.150 1421 962 A 26 ALA HB% A 42 THR H 1.0 1.965 4.979 1422 963 A 29 GLY H A 27 ALA HB% 1.0 1.874 4.120 1423 964 A 27 ALA H A 27 ALA HB% 1.0 1.385 2.179 1424 965 A 33 TRP HZ2 A 2 PRO HG2 1.0 1.937 4.637 1425 966 A 5 THR H A 5 THR HG2% 1.0 1.934 4.610 1426 967 A 75 ARG HE A 74 LYS HB2 1.0 1.946 4.740 1427 968 A 73 LEU H A 72 PRO HB3 1.0 1.948 4.768 1428 969 A 52 LYS HB3 A 52 LYS H 1.0 1.700 3.202 1429 970 A 11 TYR HD1 A 7 ARG HG3 1.0 1.925 4.527 1430 970 A 11 TYR HD2 A 7 ARG HG3 1.0 1.925 4.527 1431 971 A 11 TYR HD1 A 7 ARG HG2 1.0 1.854 3.986 1432 971 A 11 TYR HD2 A 7 ARG HG2 1.0 1.854 3.986 1433 972 A 33 TRP HZ3 A 3 ARG HB2 1.0 1.863 4.041 1434 973 A 52 LYS HG3 A 52 LYS H 1.0 1.823 3.797 1435 974 A 33 TRP HD1 A 2 PRO HB2 1.0 1.928 4.552 1436 975 A 34 ARG HE A 34 ARG HG3 1.0 1.985 5.321 1437 976 A 62 ARG HE A 62 ARG HG2 1.0 1.947 4.753 1438 977 A 11 TYR HE1 A 7 ARG HG2 1.0 1.848 3.948 1439 977 A 11 TYR HE2 A 7 ARG HG2 1.0 1.848 3.948 1440 978 A 50 GLN HE22 A 48 THR HG2% 1.0 1.969 5.037 1441 979 A 26 ALA HB% A 28 PHE HE1 1.0 1.928 4.560 1442 979 A 26 ALA HB% A 28 PHE HE2 1.0 1.928 4.560 1443 980 A 28 PHE HZ A 26 ALA HB% 1.0 1.980 5.216 1444 981 A 28 PHE HD1 A 26 ALA HB% 1.0 1.878 4.148 1445 981 A 28 PHE HD2 A 26 ALA HB% 1.0 1.878 4.148 1446 982 A 67 GLN HE22 A 48 THR HG2% 1.0 1.965 4.981 1447 983 A 62 ARG HE A 62 ARG HG3 1.0 1.952 4.806 1448 984 A 33 TRP HD1 A 2 PRO HG2 1.0 1.842 3.910 1449 985 A 52 LYS HG2 A 52 LYS H 1.0 1.819 3.775 1450 986 A 42 THR HG2% A 28 PHE HE2 1.0 1.936 4.636 1451 986 A 42 THR HG2% A 28 PHE HE1 1.0 1.936 4.636 1452 987 A 28 PHE HZ A 42 THR HG2% 1.0 1.990 5.440 1453 988 A 28 PHE HD2 A 48 THR HG2% 1.0 1.984 5.290 1454 988 A 28 PHE HD1 A 48 THR HG2% 1.0 1.984 5.290 1455 989 A 46 PHE HD2 A 42 THR HG2% 1.0 1.946 4.744 1456 989 A 46 PHE HD1 A 42 THR HG2% 1.0 1.946 4.744 1457 990 A 28 PHE HD2 A 42 THR HG2% 1.0 1.926 4.536 1458 990 A 28 PHE HD1 A 42 THR HG2% 1.0 1.926 4.536 1459 991 A 46 PHE HE1 A 42 THR HG2% 1.0 1.988 5.390 1460 991 A 46 PHE HE2 A 42 THR HG2% 1.0 1.988 5.390 1461 992 A 46 PHE HE2 A 43 THR HG2% 1.0 1.993 5.541 1462 992 A 46 PHE HE1 A 43 THR HG2% 1.0 1.993 5.541 1463 993 A 34 ARG HE A 30 THR HG2% 1.0 1.988 5.388 1464 994 A 58 SER H A 61 ILE HG13 1.0 1.950 4.782 1465 995 A 58 SER H A 61 ILE HG12 1.0 1.945 4.731 1466 996 A 60 LYS H A 61 ILE HG12 1.0 1.976 5.164 1467 997 A 61 ILE H A 61 ILE HG13 1.0 1.838 3.888 1468 998 A 61 ILE H A 61 ILE HG12 1.0 1.762 3.478 1469 999 A 37 THR HG2% A 38 CYS H 1.0 1.667 3.067 1470 1000 A 44 SER H A 43 THR HG2% 1.0 1.811 3.729 1471 1001 A 14 TYR HD2 A 16 ILE HG13 1.0 1.995 5.579 1472 1001 A 14 TYR HD1 A 16 ILE HG13 1.0 1.995 5.579 1473 1002 A 76 TRP HE3 A 73 LEU HG 1.0 1.995 5.595 1474 1003 A 14 TYR HD2 A 16 ILE HG2% 1.0 1.658 3.032 1475 1003 A 14 TYR HD1 A 16 ILE HG2% 1.0 1.658 3.032 1476 1004 A 14 TYR HD1 A 16 ILE HD1% 1.0 1.938 4.656 1477 1004 A 14 TYR HD2 A 16 ILE HD1% 1.0 1.938 4.656 1478 1005 A 40 VAL HG1% A 28 PHE HE2 1.0 1.887 4.209 1479 1005 A 40 VAL HG1% A 28 PHE HE1 1.0 1.887 4.209 1480 1006 A 28 PHE HZ A 40 VAL HG1% 1.0 1.961 4.923 1481 1007 A 28 PHE HE1 A 68 LEU HD2% 1.0 1.985 5.317 1482 1007 A 28 PHE HE2 A 68 LEU HD2% 1.0 1.985 5.317 1483 1008 A 28 PHE HD1 A 40 VAL HG1% 1.0 1.706 3.228 1484 1008 A 28 PHE HD2 A 40 VAL HG1% 1.0 1.706 3.228 1485 1009 A 25 PHE HD1 A 40 VAL HG1% 1.0 0.000 6.000 1486 1009 A 25 PHE HD2 A 40 VAL HG1% 1.0 0.000 6.000 1487 1010 A 76 TRP HE3 A 61 ILE HD1% 1.0 0.000 6.000 1488 1011 A 73 LEU H A 73 LEU HB2 1.0 1.952 4.800 1489 1012 A 73 LEU H A 73 LEU HG 1.0 1.938 4.652 1490 1013 A 58 SER H A 61 ILE HG2% 1.0 1.978 5.186 1491 1014 A 58 SER H A 61 ILE HD1% 1.0 1.905 4.353 1492 1015 A 73 LEU H A 73 LEU HD1% 1.0 1.979 5.201 1493 1016 A 76 TRP HD1 A 73 LEU HD1% 1.0 1.939 4.659 1494 1017 A 25 PHE HZ A 40 VAL HG2% 1.0 1.999 5.837 1495 1018 A 76 TRP HD1 A 73 LEU HB2 1.0 1.768 3.510 1496 1019 A 76 TRP HD1 A 73 LEU HG 1.0 1.972 5.066 1497 1020 A 11 TYR H A 9 VAL HG1% 1.0 1.989 5.409 1498 1021 A 18 SER H A 16 ILE HG13 1.0 1.866 4.064 1499 1022 A 11 TYR H A 40 VAL HG2% 1.0 1.982 5.268 1500 1023 A 3 ARG H A 2 PRO HB3 1.0 1.957 4.865 1501 1024 A 76 TRP HZ2 A 73 LEU HB2 1.0 1.981 5.249 1502 1025 A 18 SER H A 20 VAL HG2% 1.0 1.786 3.598 1503 1026 A 18 SER H A 16 ILE HD1% 1.0 1.755 3.449 1504 1027 A 60 LYS H A 61 ILE HD1% 1.0 1.985 5.319 1505 1028 A 76 TRP HZ2 A 73 LEU HD1% 1.0 1.956 4.860 1506 1029 A 61 ILE H A 61 ILE HD1% 1.0 1.866 4.064 1507 1030 A 61 ILE H A 61 ILE HG2% 1.0 1.813 3.739 1508 1031 A 20 VAL H A 20 VAL HG2% 1.0 1.669 3.075 1509 1032 A 20 VAL H A 16 ILE HD1% 1.0 1.973 5.105 1510 1033 A 65 GLU H A 64 LEU HD2% 1.0 1.985 5.321 1511 1034 A 82 ILE HG13 A 82 ILE H 1.0 1.851 3.963 1512 1035 A 82 ILE H A 82 ILE HG2% 1.0 1.869 4.087 1513 1036 A 69 GLY H A 68 LEU HD2% 1.0 1.940 4.670 1514 1037 A 69 GLY H A 68 LEU HD1% 1.0 1.976 5.154 1515 1038 A 76 TRP H A 73 LEU HB2 1.0 1.988 5.408 1516 1039 A 10 GLY H A 9 VAL HG1% 1.0 1.808 3.710 1517 1040 A 10 GLY H A 9 VAL HG2% 1.0 1.856 3.998 1518 1041 A 30 THR HG2% A 30 THR H 1.0 1.728 3.320 1519 1042 A 8 CYS H A 9 VAL HG1% 1.0 1.908 4.372 1520 1043 A 6 SER H A 9 VAL HG1% 1.0 1.940 4.680 1521 1044 A 6 SER H A 1 LEU HD1% 1.0 1.852 3.974 1522 1045 A 42 THR HG2% A 42 THR H 1.0 1.694 3.178 1523 1046 A 36 LYS H A 36 LYS HB3 1.0 1.834 3.860 1524 1047 A 24 PRO HB2 A 42 THR H 1.0 1.941 4.679 1525 1048 A 8 CYS H A 5 THR HG2% 1.0 1.931 4.581 1526 1049 A 6 SER H A 5 THR HG2% 1.0 1.749 3.415 1527 1050 A 62 ARG H A 61 ILE HG12 1.0 1.949 4.769 1528 1051 A 67 GLN H A 77 THR HG2% 1.0 1.965 4.975 1529 1052 A 43 THR HG2% A 43 THR H 1.0 1.696 3.186 1530 1053 A 42 THR HG2% A 43 THR H 1.0 1.942 4.686 1531 1054 A 27 ALA H A 37 THR HG2% 1.0 1.873 4.111 1532 1055 A 75 ARG H A 75 ARG HG3 1.0 1.844 3.920 1533 1056 A 80 LYS H A 80 LYS HB3 1.0 1.655 3.023 1534 1057 A 64 LEU H A 64 LEU HB3 1.0 1.854 3.986 1535 1058 A 63 CYS H A 62 ARG HG2 1.0 1.916 4.444 1536 1059 A 16 ILE HG12 A 17 ARG H 1.0 1.855 3.993 1537 1060 A 21 CYS H A 27 ALA HB% 1.0 1.823 3.795 1538 1061 A 49 CYS H A 48 THR HG2% 1.0 1.885 4.199 1539 1062 A 63 CYS H A 62 ARG HG3 1.0 0.000 6.000 1540 1063 A 71 CYS H A 70 LEU HG 1.0 1.875 4.125 1541 1064 A 26 ALA H A 39 CYS HB2 1.0 0.000 6.000 1542 1065 A 40 VAL H A 39 CYS HB2 1.0 1.949 4.781 1543 1066 A 34 ARG HG2 A 34 ARG H 1.0 1.982 5.250 1544 1067 A 16 ILE H A 16 ILE HG12 1.0 1.796 3.652 1545 1068 A 34 ARG HG3 A 34 ARG H 1.0 1.965 4.979 1546 1069 A 40 VAL H A 26 ALA HB% 1.0 1.887 4.207 1547 1070 A 26 ALA H A 26 ALA HB% 1.0 1.622 2.900 1548 1071 A 28 PHE H A 27 ALA HB% 1.0 0.000 6.000 1549 1072 A 77 THR H A 77 THR HG2% 1.0 1.849 3.953 1550 1073 A 80 LYS H A 77 THR HG2% 1.0 1.991 5.465 1551 1074 A 66 GLU H A 77 THR HG2% 1.0 1.945 4.739 1552 1075 A 21 CYS H A 37 THR HG2% 1.0 1.954 4.838 1553 1076 A 37 THR H A 37 THR HG2% 1.0 1.840 3.898 1554 1077 A 78 CYS H A 77 THR HG2% 1.0 1.713 3.257 1555 1078 A 26 ALA H A 42 THR HG2% 1.0 1.857 4.007 1556 1079 A 40 VAL H A 42 THR HG2% 1.0 1.960 4.910 1557 1080 A 79 CYS H A 77 THR HG2% 1.0 1.966 4.990 1558 1081 A 16 ILE H A 36 LYS HB3 1.0 1.987 5.367 1559 1082 A 28 PHE H A 37 THR HG2% 1.0 1.781 3.573 1560 1083 A 30 THR HG2% A 34 ARG H 1.0 1.970 5.048 1561 1084 A 25 PHE H A 24 PRO HB2 1.0 1.941 4.679 1562 1085 A 39 CYS H A 37 THR HG2% 1.0 1.958 4.884 1563 1086 A 16 ILE H A 16 ILE HG13 1.0 1.739 3.369 1564 1087 A 57 VAL H A 77 THR HG2% 1.0 1.984 5.298 1565 1088 A 76 TRP HE1 A 75 ARG HB3 1.0 1.995 5.597 1566 1089 A 76 TRP HE1 A 58 SER HA 1.0 1.926 4.532 1567 1090 A 2 PRO HG3 A 33 TRP HE1 1.0 1.900 4.310 1568 1091 A 33 TRP HE1 A 2 PRO HB2 1.0 1.951 4.797 1569 1092 A 33 TRP HE1 A 2 PRO HG2 1.0 1.812 3.738 1570 1093 A 76 TRP HE1 A 73 LEU HG 1.0 2.000 6.000 1571 1094 A 76 TRP HE1 A 73 LEU HB2 1.0 1.876 4.134 1572 1095 A 76 TRP HE1 A 73 LEU HD1% 1.0 1.941 4.683 1573 1096 A 76 TRP HE1 A 73 LEU HB3 1.0 1.942 4.696 1574 1097 A 76 TRP HE1 A 73 LEU HD2% 1.0 1.799 3.663 1575 1098 A 16 ILE H A 16 ILE HG2% 1.0 1.723 3.299 1576 1099 A 16 ILE H A 16 ILE HD1% 1.0 1.870 4.090 1577 1100 A 40 VAL H A 40 VAL HG1% 1.0 1.716 3.268 1578 1101 A 37 THR H A 16 ILE HG13 1.0 1.985 5.319 1579 1102 A 71 CYS H A 70 LEU HD2% 1.0 1.855 3.991 1580 1103 A 64 LEU H A 64 LEU HD1% 1.0 1.961 4.933 1581 1104 A 41 ASP H A 40 VAL HG2% 1.0 1.738 3.368 1582 1105 A 64 LEU H A 64 LEU HD2% 1.0 1.892 4.248 1583 1106 A 63 CYS H A 61 ILE HG2% 1.0 1.947 4.751 1584 1107 A 16 ILE HD1% A 17 ARG H 1.0 1.899 4.301 1585 1108 A 16 ILE HG2% A 17 ARG H 1.0 1.780 3.568 1586 1109 A 16 ILE HG13 A 17 ARG H 1.0 1.918 4.456 1587 1110 A 21 CYS H A 16 ILE HD1% 1.0 1.964 4.958 1588 1111 A 21 CYS H A 20 VAL HG1% 1.0 0.000 6.000 1589 1112 A 14 TYR H A 40 VAL HG1% 1.0 0.000 6.000 1590 1113 A 82 ILE HD1% A 55 HIS HE1 1.0 1.979 5.191 1591 1114 A 15 CYS H A 16 ILE HG2% 1.0 1.852 3.968 1592 1115 A 9 VAL H A 9 VAL HG1% 1.0 1.571 2.725 1593 1116 A 9 VAL H A 9 VAL HG2% 1.0 0.000 6.000 1594 1117 A 74 LYS H A 73 LEU HG 1.0 1.929 4.567 1595 1118 A 74 LYS H A 73 LEU HB2 1.0 1.734 3.352 1596 1119 A 20 VAL HG2% A 19 LYS H 1.0 1.835 3.865 1597 1120 A 74 LYS H A 73 LEU HD1% 1.0 1.735 3.353 1598 1121 A 74 LYS H A 73 LEU HB3 1.0 1.891 4.245 1599 1122 A 74 LYS H A 73 LEU HD2% 1.0 1.954 4.838 1600 1123 A 62 ARG H A 61 ILE HD1% 1.0 0.000 6.000 1601 1124 A 62 ARG H A 61 ILE HG2% 1.0 1.630 2.928 1602 1125 A 40 VAL HG1% A 12 HIS H 1.0 0.000 6.000 1603 1126 A 40 VAL HG2% A 42 THR H 1.0 1.937 4.645 1604 1127 A 13 GLY H A 9 VAL HG2% 1.0 1.994 5.568 1605 1128 A 13 GLY H A 9 VAL HG1% 1.0 1.987 5.379 1606 1129 A 76 TRP H A 73 LEU HB3 1.0 1.995 5.627 1607 1130 A 76 TRP H A 73 LEU HD2% 1.0 1.999 6.189 1608 1131 A 76 TRP HZ2 A 73 LEU HD2% 1.0 1.746 3.406 1609 1132 A 76 TRP HZ2 A 73 LEU HB3 1.0 1.994 6.410 1610 1133 A 11 TYR H A 9 VAL HG2% 1.0 1.996 5.678 1611 1134 A 76 TRP HD1 A 73 LEU HB3 1.0 1.836 3.872 1612 1135 A 75 ARG HE A 73 LEU HB3 1.0 1.971 5.073 1613 1136 A 73 LEU H A 73 LEU HB3 1.0 1.971 5.061 1614 1137 A 76 TRP HE3 A 73 LEU HB3 1.0 2.000 5.908 1615 1138 A 46 PHE HD1 A 68 LEU HD2% 1.0 1.999 6.219 1616 1138 A 46 PHE HD2 A 68 LEU HD2% 1.0 1.999 6.219 1617 1139 A 76 TRP HZ3 A 82 ILE HD1% 1.0 1.996 5.626 1618 1140 A 76 TRP HD1 A 73 LEU HD2% 1.0 1.882 4.172 1619 1141 A 73 LEU H A 73 LEU HD2% 1.0 1.887 4.215 1620 1142 A 76 TRP HZ3 A 73 LEU HD2% 1.0 1.953 4.819 1621 1143 A 76 TRP HE3 A 73 LEU HD2% 1.0 1.942 4.696 1622 1144 A 14 TYR HE2 A 39 CYS HA 1.0 1.996 6.392 1623 1144 A 14 TYR HE1 A 39 CYS HA 1.0 1.996 6.392 1624 1145 A 14 TYR HE2 A 22 PRO HD2 1.0 1.992 5.496 1625 1145 A 14 TYR HE1 A 22 PRO HD2 1.0 1.992 5.496 1626 1146 A 14 TYR HE2 A 22 PRO HD3 1.0 1.980 5.208 1627 1146 A 14 TYR HE1 A 22 PRO HD3 1.0 1.980 5.208 1628 1147 A 25 PHE HB3 A 14 TYR HE2 1.0 1.989 5.419 1629 1147 A 25 PHE HB3 A 14 TYR HE1 1.0 1.989 5.419 1630 1148 A 14 TYR HE2 A 25 PHE HB2 1.0 1.975 5.133 1631 1148 A 14 TYR HE1 A 25 PHE HB2 1.0 1.975 5.133 1632 1149 A 39 CYS HB3 A 14 TYR HE2 1.0 1.912 4.414 1633 1149 A 39 CYS HB3 A 14 TYR HE1 1.0 1.912 4.414 1634 1150 A 14 TYR HE2 A 22 PRO HG3 1.0 1.998 5.774 1635 1150 A 14 TYR HE1 A 22 PRO HG3 1.0 1.998 5.774 1636 1151 A 14 TYR HE2 A 22 PRO HG2 1.0 1.999 6.199 1637 1151 A 14 TYR HE1 A 22 PRO HG2 1.0 1.999 6.199 1638 1152 A 14 TYR HE2 A 16 ILE HB 1.0 1.898 4.292 1639 1152 A 14 TYR HE1 A 16 ILE HB 1.0 1.898 4.292 1640 1153 A 14 TYR HE2 A 39 CYS HB2 1.0 1.903 4.331 1641 1153 A 14 TYR HE1 A 39 CYS HB2 1.0 1.903 4.331 1642 1154 A 16 ILE HG12 A 14 TYR HE2 1.0 1.991 5.485 1643 1154 A 16 ILE HG12 A 14 TYR HE1 1.0 1.991 5.485 1644 1155 A 14 TYR HE2 A 16 ILE HG13 1.0 2.000 5.864 1645 1155 A 14 TYR HE1 A 16 ILE HG13 1.0 2.000 5.864 1646 1156 A 14 TYR HE1 A 16 ILE HG2% 1.0 1.631 2.933 1647 1156 A 14 TYR HE2 A 16 ILE HG2% 1.0 1.631 2.933 1648 1157 A 16 ILE HD1% A 14 TYR HE1 1.0 1.873 4.111 1649 1157 A 16 ILE HD1% A 14 TYR HE2 1.0 1.873 4.111 1650 1158 A 56 CYS HA A 56 CYS HB2 1.0 1.856 3.998 1651 1159 A 56 CYS HA A 56 CYS HB3 1.0 1.792 3.630 1652 1160 A 78 CYS HB2 A 56 CYS HA 1.0 1.985 5.335 1653 1161 A 56 CYS HA A 76 TRP HB2 1.0 2.000 5.944 1654 1162 A 15 CYS HA A 15 CYS HB3 1.0 1.786 3.596 1655 1163 A 15 CYS HB2 A 15 CYS HA 1.0 1.745 3.397 1656 1164 A 39 CYS HB3 A 39 CYS HA 1.0 1.769 3.511 1657 1165 A 39 CYS HA A 25 PHE HB2 1.0 1.926 4.532 1658 1166 A 56 CYS HA A 79 CYS HB2 1.0 1.997 5.691 1659 1167 A 57 VAL HB A 56 CYS HA 1.0 0.000 6.000 1660 1168 A 15 CYS HA A 16 ILE HB 1.0 0.000 6.000 1661 1169 A 40 VAL HB A 39 CYS HA 1.0 1.949 4.775 1662 1170 A 39 CYS HA A 39 CYS HB2 1.0 1.836 3.876 1663 1171 A 15 CYS HA A 36 LYS HB2 1.0 1.960 4.910 1664 1172 A 16 ILE HG12 A 15 CYS HA 1.0 1.986 5.352 1665 1173 A 15 CYS HA A 36 LYS HB3 1.0 0.000 6.000 1666 1174 A 15 CYS HA A 16 ILE HG13 1.0 1.952 4.808 1667 1175 A 40 VAL HG1% A 39 CYS HA 1.0 1.897 4.283 1668 1176 A 39 CYS HA A 37 THR HG2% 1.0 1.912 4.408 1669 1177 A 79 CYS HA A 80 LYS HA 1.0 1.984 5.316 1670 1178 A 30 THR HA A 37 THR HB 1.0 0.000 6.000 1671 1179 A 71 CYS HA A 72 PRO HD3 1.0 1.685 3.139 1672 1180 A 71 CYS HA A 72 PRO HD2 1.0 1.688 3.150 1673 1181 A 71 CYS HA A 71 CYS HB3 1.0 1.873 4.109 1674 1182 A 71 CYS HA A 56 CYS HB3 1.0 1.993 5.531 1675 1183 A 79 CYS HA A 79 CYS HB3 1.0 1.772 3.526 1676 1184 A 30 THR HA A 38 CYS HB3 1.0 1.950 4.792 1677 1185 A 71 CYS HA A 71 CYS HB2 1.0 1.885 4.197 1678 1186 A 79 CYS HA A 79 CYS HB2 1.0 1.808 3.710 1679 1187 A 30 THR HA A 38 CYS HB2 1.0 1.959 4.891 1680 1188 A 79 CYS HA A 66 GLU HG2 1.0 1.997 6.321 1681 1189 A 79 CYS HA A 66 GLU HB2 1.0 1.992 5.508 1682 1190 A 67 GLN HB3 A 79 CYS HA 1.0 1.967 4.993 1683 1191 A 79 CYS HA A 80 LYS HB2 1.0 1.965 4.971 1684 1192 A 79 CYS HA A 80 LYS HB3 1.0 1.976 5.148 1685 1193 A 79 CYS HA A 77 THR HG2% 1.0 1.864 4.054 1686 1194 A 30 THR HA A 30 THR HG2% 1.0 1.557 2.679 1687 1195 A 30 THR HA A 37 THR HG2% 1.0 1.846 3.934 1688 1196 A 71 CYS HA A 70 LEU HD2% 1.0 1.999 6.219 1689 1197 A 13 GLY HA3 A 13 GLY HA2 1.0 1.600 2.822 1690 1198 A 21 CYS HA A 22 PRO HD3 1.0 1.641 2.971 1691 1199 A 21 CYS HA A 22 PRO HD2 1.0 1.638 2.958 1692 1200 A 13 GLY HA2 A 40 VAL HA 1.0 1.897 4.287 1693 1201 A 25 PHE HB3 A 25 PHE HA 1.0 1.772 3.526 1694 1202 A 11 TYR HA A 11 TYR HB2 1.0 1.795 3.639 1695 1203 A 48 THR HA A 48 THR HB 1.0 1.624 2.908 1696 1204 A 41 ASP HA A 25 PHE HA 1.0 1.631 2.933 1697 1205 A 63 CYS HA A 82 ILE HA 1.0 0.000 6.000 1698 1206 A 76 TRP HA A 77 THR HB 1.0 0.000 6.000 1699 1207 A 76 TRP HA A 59 PRO HD3 1.0 1.909 4.383 1700 1208 A 63 CYS HA A 63 CYS HB3 1.0 1.697 3.189 1701 1209 A 76 TRP HA A 76 TRP HB3 1.0 1.774 3.536 1702 1210 A 38 CYS HB3 A 38 CYS HA 1.0 1.850 3.960 1703 1211 A 55 HIS HA A 55 HIS HB3 1.0 1.774 3.538 1704 1212 A 28 PHE HA A 28 PHE HB3 1.0 1.773 3.531 1705 1213 A 11 TYR HA A 11 TYR HB3 1.0 1.789 3.613 1706 1214 A 28 PHE HB2 A 28 PHE HA 1.0 1.728 3.320 1707 1215 A 63 CYS HA A 63 CYS HB2 1.0 1.845 3.927 1708 1216 A 15 CYS HB2 A 38 CYS HA 1.0 1.953 4.817 1709 1217 A 38 CYS HB2 A 38 CYS HA 1.0 1.818 3.770 1710 1218 A 24 PRO HA A 24 PRO HG3 1.0 0.000 6.000 1711 1219 A 66 GLU HA A 66 GLU HG3 1.0 1.867 4.071 1712 1220 A 22 PRO HA A 22 PRO HB2 1.0 1.677 3.109 1713 1221 A 22 PRO HA A 22 PRO HG3 1.0 0.000 6.000 1714 1222 A 66 GLU HA A 66 GLU HG2 1.0 1.831 3.847 1715 1223 A 76 TRP HA A 58 SER HA 1.0 1.838 3.884 1716 1224 A 67 GLN HG3 A 67 GLN HA 1.0 1.908 4.376 1717 1225 A 66 GLU HA A 66 GLU HB2 1.0 1.766 3.498 1718 1226 A 57 VAL HB A 57 VAL HA 1.0 1.668 3.072 1719 1227 A 22 PRO HB3 A 22 PRO HA 1.0 1.687 3.149 1720 1228 A 81 GLU HA A 81 GLU HB3 1.0 1.783 3.581 1721 1229 A 16 ILE HA A 16 ILE HB 1.0 1.673 3.095 1722 1230 A 40 VAL HB A 40 VAL HA 1.0 1.771 3.521 1723 1231 A 24 PRO HA A 24 PRO HG2 1.0 0.000 6.000 1724 1232 A 16 ILE HG12 A 16 ILE HA 1.0 1.889 4.225 1725 1233 A 67 GLN HA A 80 LYS HB3 1.0 1.880 4.160 1726 1234 A 63 CYS HA A 64 LEU HB3 1.0 1.937 4.639 1727 1235 A 26 ALA HB% A 26 ALA HA 1.0 1.449 2.353 1728 1236 A 48 THR HB A 48 THR HG2% 1.0 1.531 2.593 1729 1237 A 68 LEU HG A 47 HIS HA 1.0 1.855 3.989 1730 1238 A 57 VAL HA A 61 ILE HG13 1.0 1.952 4.806 1731 1239 A 66 GLU HA A 77 THR HG2% 1.0 1.814 3.748 1732 1240 A 25 PHE HA A 42 THR HG2% 1.0 1.896 4.276 1733 1241 A 37 THR HG2% A 38 CYS HA 1.0 1.912 4.410 1734 1242 A 37 THR HG2% A 27 ALA HA 1.0 1.926 4.534 1735 1243 A 16 ILE HA A 16 ILE HG13 1.0 1.924 4.524 1736 1244 A 16 ILE HA A 16 ILE HG2% 1.0 1.569 2.717 1737 1245 A 13 GLY HA3 A 40 VAL HG1% 1.0 0.000 6.000 1738 1246 A 13 GLY HA3 A 40 VAL HG2% 1.0 1.767 3.501 1739 1247 A 40 VAL HG1% A 40 VAL HA 1.0 1.684 3.138 1740 1248 A 63 CYS HA A 82 ILE HG2% 1.0 1.875 4.121 1741 1249 A 16 ILE HD1% A 21 CYS HA 1.0 1.598 2.814 1742 1250 A 57 VAL HA A 61 ILE HD1% 1.0 1.934 4.610 1743 1251 A 73 LEU HA A 73 LEU HD2% 1.0 1.929 4.563 1744 1252 A 73 LEU HA A 73 LEU HB3 1.0 1.958 4.884 1745 1253 A 73 LEU HA A 73 LEU HD1% 1.0 1.534 2.606 1746 1254 A 70 LEU HD2% A 70 LEU HA 1.0 1.585 2.769 1747 1255 A 73 LEU HA A 73 LEU HB2 1.0 1.804 3.692 1748 1256 A 40 VAL HG2% A 12 HIS HA 1.0 1.934 4.620 1749 1257 A 68 LEU HA A 68 LEU HD1% 1.0 1.811 3.729 1750 1258 A 68 LEU HA A 68 LEU HD2% 1.0 1.660 3.044 1751 1259 A 62 ARG HA A 61 ILE HG2% 1.0 1.874 4.116 1752 1260 A 20 VAL HA A 20 VAL HG2% 1.0 1.592 2.794 1753 1261 A 64 LEU HA A 64 LEU HD2% 1.0 1.542 2.630 1754 1262 A 1 LEU HD2% A 1 LEU HA 1.0 1.649 3.001 1755 1263 A 20 VAL HA A 20 VAL HG1% 1.0 1.576 2.740 1756 1264 A 64 LEU HA A 64 LEU HD1% 1.0 1.764 3.490 1757 1265 A 73 LEU HA A 73 LEU HG 1.0 1.851 3.965 1758 1266 A 17 ARG HA A 16 ILE HG13 1.0 0.000 6.000 1759 1267 A 30 THR HG2% A 30 THR HB 1.0 1.549 2.653 1760 1268 A 17 ARG HA A 36 LYS HB3 1.0 1.874 4.116 1761 1269 A 77 THR HA A 77 THR HG2% 1.0 1.597 2.813 1762 1270 A 42 THR HG2% A 42 THR HA 1.0 1.475 2.427 1763 1271 A 37 THR HA A 37 THR HG2% 1.0 1.608 2.850 1764 1272 A 29 GLY HA3 A 30 THR HG2% 1.0 1.828 3.826 1765 1273 A 42 THR HB A 42 THR HG2% 1.0 1.545 2.641 1766 1274 A 19 LYS HA A 37 THR HG2% 1.0 1.788 3.608 1767 1275 A 37 THR HA A 30 THR HG2% 1.0 1.744 3.396 1768 1276 A 48 THR HA A 48 THR HG2% 1.0 1.595 2.805 1769 1277 A 43 THR HB A 43 THR HG2% 1.0 1.412 2.250 1770 1278 A 1 LEU HD1% A 5 THR HB 1.0 1.900 4.316 1771 1279 A 82 ILE HA A 82 ILE HG2% 1.0 1.695 3.179 1772 1280 A 61 ILE HG2% A 61 ILE HA 1.0 1.564 2.700 1773 1281 A 16 ILE HD1% A 37 THR HB 1.0 1.829 3.835 1774 1282 A 70 LEU HB3 A 70 LEU HA 1.0 1.840 3.898 1775 1283 A 70 LEU HA A 70 LEU HB2 1.0 1.795 3.645 1776 1284 A 70 LEU HA A 70 LEU HG 1.0 1.770 3.518 1777 1285 A 52 LYS HA A 52 LYS HG2 1.0 1.827 3.815 1778 1286 A 19 LYS HA A 19 LYS HG3 1.0 1.753 3.437 1779 1287 A 42 THR HB A 26 ALA HB% 1.0 1.708 3.232 1780 1288 A 19 LYS HA A 19 LYS HG2 1.0 1.867 4.067 1781 1289 A 18 SER HA A 16 ILE HG12 1.0 1.959 4.887 1782 1290 A 17 ARG HA A 17 ARG HB3 1.0 1.666 3.066 1783 1291 A 81 GLU HA A 81 GLU HB2 1.0 1.756 3.446 1784 1292 A 17 ARG HA A 17 ARG HB2 1.0 1.747 3.407 1785 1293 A 67 GLN HG2 A 54 GLY HA2 1.0 0.000 6.000 1786 1294 A 52 LYS HA A 52 LYS HB2 1.0 1.764 3.488 1787 1295 A 67 GLN HB3 A 80 LYS HA 1.0 1.893 4.255 1788 1296 A 7 ARG HG3 A 8 CYS HA 1.0 1.818 3.768 1789 1297 A 1 LEU HG A 1 LEU HA 1.0 1.757 3.453 1790 1298 A 64 LEU HA A 64 LEU HB3 1.0 1.719 3.281 1791 1299 A 62 ARG HA A 62 ARG HG2 1.0 1.782 3.574 1792 1300 A 64 LEU HB2 A 64 LEU HA 1.0 1.690 3.162 1793 1301 A 19 LYS HA A 19 LYS HB3 1.0 1.747 3.407 1794 1302 A 72 PRO HB3 A 72 PRO HA 1.0 1.903 4.329 1795 1303 A 19 LYS HA A 19 LYS HB2 1.0 1.603 2.835 1796 1304 A 72 PRO HA A 72 PRO HG3 1.0 1.907 4.367 1797 1305 A 1 LEU HB2 A 5 THR HB 1.0 1.900 4.312 1798 1306 A 60 LYS HA A 60 LYS HB2 1.0 1.769 3.509 1799 1307 A 60 LYS HA A 62 ARG HG2 1.0 0.000 6.000 1800 1308 A 16 ILE HG12 A 37 THR HB 1.0 1.802 3.678 1801 1309 A 82 ILE HA A 82 ILE HB 1.0 1.754 3.440 1802 1310 A 7 ARG HG3 A 7 ARG HA 1.0 1.845 3.927 1803 1311 A 3 ARG HA A 3 ARG HB2 1.0 1.664 3.058 1804 1312 A 35 GLN HA A 35 GLN HB2 1.0 1.844 3.920 1805 1313 A 62 ARG HA A 57 VAL HB 1.0 0.000 6.000 1806 1314 A 50 GLN HB3 A 50 GLN HA 1.0 1.763 3.479 1807 1315 A 50 GLN HB2 A 50 GLN HA 1.0 1.745 3.397 1808 1316 A 72 PRO HB2 A 72 PRO HA 1.0 1.719 3.281 1809 1317 A 35 GLN HA A 35 GLN HB3 1.0 1.761 3.475 1810 1318 A 45 ASP HA A 45 ASP HB2 1.0 1.792 3.628 1811 1319 A 81 GLU HA A 81 GLU HG2 1.0 1.824 3.798 1812 1320 A 65 GLU HA A 65 GLU HG2 1.0 0.000 6.000 1813 1321 A 65 GLU HA A 65 GLU HG3 1.0 1.884 4.188 1814 1322 A 51 ASP HA A 51 ASP HB2 1.0 1.692 3.168 1815 1323 A 49 CYS HB3 A 54 GLY HA2 1.0 1.744 3.394 1816 1324 A 4 ASP HA A 4 ASP HB3 1.0 1.711 3.247 1817 1325 A 50 GLN HA A 50 GLN HG2 1.0 0.000 6.000 1818 1326 A 50 GLN HA A 50 GLN HG3 1.0 1.838 3.886 1819 1327 A 81 GLU HG3 A 53 GLY HA3 1.0 1.962 4.932 1820 1328 A 61 ILE HB A 61 ILE HA 1.0 1.833 3.859 1821 1329 A 3 ARG HA A 3 ARG HB3 1.0 1.753 3.439 1822 1330 A 75 ARG HB2 A 75 ARG HA 1.0 1.761 3.475 1823 1331 A 6 SER HA A 9 VAL HB 1.0 1.808 3.710 1824 1332 A 75 ARG HA A 75 ARG HB3 1.0 1.855 3.987 1825 1333 A 29 GLY HA3 A 52 LYS HE3 1.0 1.658 3.036 1826 1334 A 35 GLN HA A 35 GLN HG2 1.0 1.812 3.732 1827 1335 A 29 GLY HA3 A 28 PHE HB2 1.0 0.000 6.000 1828 1336 A 49 CYS HB3 A 49 CYS HA 1.0 1.854 3.982 1829 1337 A 49 CYS HB2 A 49 CYS HA 1.0 1.820 3.780 1830 1338 A 8 CYS HA A 11 TYR HB3 1.0 1.876 4.134 1831 1339 A 54 GLY HA2 A 55 HIS HB3 1.0 0.000 6.000 1832 1340 A 8 CYS HB3 A 8 CYS HA 1.0 1.732 3.338 1833 1341 A 46 PHE HB2 A 46 PHE HA 1.0 1.760 3.470 1834 1342 A 46 PHE HB3 A 46 PHE HA 1.0 1.719 3.283 1835 1343 A 8 CYS HA A 8 CYS HB2 1.0 1.769 3.515 1836 1344 A 54 GLY HA2 A 54 GLY HA3 1.0 1.659 3.039 1837 1345 A 33 TRP HA A 33 TRP HB3 1.0 1.854 3.982 1838 1346 A 62 ARG HA A 63 CYS HB3 1.0 1.962 4.936 1839 1347 A 5 THR HB A 2 PRO HD3 1.0 1.824 3.802 1840 1348 A 37 THR HA A 38 CYS HB3 1.0 1.977 5.169 1841 1349 A 25 PHE HB3 A 23 LYS HA 1.0 1.951 4.791 1842 1350 A 12 HIS HA A 12 HIS HB2 1.0 1.720 3.288 1843 1351 A 12 HIS HB3 A 12 HIS HA 1.0 1.752 3.430 1844 1352 A 30 THR HB A 34 ARG HA 1.0 1.699 3.197 1845 1353 A 5 THR HA A 5 THR HB 1.0 0.000 6.000 1846 1354 A 37 THR HA A 37 THR HB 1.0 0.000 6.000 1847 1355 A 19 LYS HA A 18 SER HB2 1.0 0.000 6.000 1848 1356 A 20 VAL HA A 22 PRO HD2 1.0 0.000 6.000 1849 1357 A 2 PRO HD2 A 1 LEU HA 1.0 1.606 2.844 1850 1358 A 32 SER HB2 A 32 SER HA 1.0 0.000 6.000 1851 1359 A 33 TRP HA A 33 TRP HB2 1.0 1.826 3.816 1852 1360 A 32 SER HB3 A 32 SER HA 1.0 1.807 3.705 1853 1361 A 5 THR HA A 2 PRO HD3 1.0 0.000 6.000 1854 1362 A 5 THR HA A 8 CYS HB2 1.0 1.811 3.733 1855 1363 A 5 THR HA A 8 CYS HB3 1.0 1.788 3.610 1856 1364 A 2 PRO HD2 A 2 PRO HD3 1.0 1.562 2.694 1857 1365 A 32 SER HB3 A 32 SER HB2 1.0 1.727 3.319 1858 1366 A 24 PRO HD3 A 24 PRO HD2 1.0 1.467 2.403 1859 1367 A 56 CYS HB2 A 56 CYS HB3 1.0 1.631 2.933 1860 1368 A 78 CYS HB2 A 78 CYS HB3 1.0 1.684 3.134 1861 1369 A 76 TRP HB2 A 71 CYS HB3 1.0 1.871 4.099 1862 1370 A 72 PRO HD3 A 71 CYS HB2 1.0 1.944 4.716 1863 1371 A 71 CYS HB3 A 71 CYS HB2 1.0 1.659 3.035 1864 1372 A 58 SER HB3 A 58 SER HB2 1.0 1.606 2.844 1865 1373 A 11 TYR HB2 A 11 TYR HB3 1.0 1.563 2.699 1866 1374 A 25 PHE HB3 A 25 PHE HB2 1.0 1.632 2.938 1867 1375 A 47 HIS HB2 A 47 HIS HB3 1.0 1.640 2.966 1868 1376 A 55 HIS HB3 A 55 HIS HB2 1.0 1.572 2.728 1869 1377 A 59 PRO HD2 A 59 PRO HD3 1.0 1.594 2.802 1870 1378 A 25 PHE HB3 A 39 CYS HB3 1.0 1.840 3.898 1871 1379 A 24 PRO HD3 A 24 PRO HG3 1.0 1.898 4.292 1872 1380 A 34 ARG HA A 35 GLN HB3 1.0 0.000 6.000 1873 1381 A 22 PRO HD3 A 22 PRO HB2 1.0 1.850 3.962 1874 1382 A 22 PRO HD3 A 22 PRO HG3 1.0 1.805 3.697 1875 1383 A 22 PRO HD2 A 22 PRO HB2 1.0 1.835 3.867 1876 1384 A 22 PRO HD2 A 22 PRO HG3 1.0 1.805 3.701 1877 1385 A 72 PRO HB2 A 72 PRO HD2 1.0 1.944 4.714 1878 1386 A 9 VAL HA A 9 VAL HB 1.0 1.718 3.280 1879 1387 A 22 PRO HD2 A 22 PRO HG2 1.0 1.726 3.316 1880 1388 A 22 PRO HB3 A 22 PRO HD2 1.0 1.857 4.005 1881 1389 A 72 PRO HD3 A 72 PRO HG3 1.0 1.779 3.559 1882 1390 A 72 PRO HD2 A 72 PRO HG3 1.0 1.754 3.438 1883 1391 A 22 PRO HD3 A 22 PRO HG2 1.0 1.766 3.498 1884 1392 A 22 PRO HB3 A 22 PRO HD3 1.0 1.863 4.043 1885 1393 A 34 ARG HB3 A 34 ARG HA 1.0 1.794 3.642 1886 1394 A 72 PRO HG2 A 72 PRO HD2 1.0 1.863 4.045 1887 1395 A 72 PRO HG2 A 72 PRO HD3 1.0 1.819 3.771 1888 1396 A 46 PHE HB2 A 46 PHE HB3 1.0 1.472 2.416 1889 1397 A 4 ASP HB2 A 8 CYS HB2 1.0 1.978 5.176 1890 1398 A 38 CYS HB2 A 8 CYS HB2 1.0 1.993 5.549 1891 1399 A 8 CYS HB3 A 15 CYS HB2 1.0 0.000 6.000 1892 1400 A 51 ASP HB3 A 51 ASP HB2 1.0 1.684 3.136 1893 1401 A 28 PHE HB2 A 28 PHE HB3 1.0 1.551 2.659 1894 1402 A 49 CYS HB2 A 49 CYS HB3 1.0 1.710 3.242 1895 1403 A 15 CYS HB2 A 15 CYS HB3 1.0 1.672 3.090 1896 1404 A 38 CYS HB2 A 38 CYS HB3 1.0 1.594 2.804 1897 1405 A 35 GLN HG3 A 35 GLN HG2 1.0 1.466 2.400 1898 1406 A 45 ASP HB3 A 45 ASP HB2 1.0 1.519 2.559 1899 1407 A 35 GLN HG2 A 35 GLN HB3 1.0 1.799 3.663 1900 1408 A 59 PRO HD2 A 58 SER HA 1.0 1.738 3.370 1901 1409 A 58 SER HB3 A 58 SER HA 1.0 1.838 3.886 1902 1410 A 58 SER HB2 A 58 SER HA 1.0 1.731 3.333 1903 1411 A 59 PRO HD3 A 58 SER HA 1.0 1.753 3.433 1904 1412 A 24 PRO HD3 A 24 PRO HG2 1.0 1.887 4.209 1905 1413 A 24 PRO HD3 A 24 PRO HB3 1.0 1.688 3.150 1906 1414 A 32 SER HB3 A 2 PRO HB2 1.0 1.958 4.878 1907 1415 A 34 ARG HG2 A 34 ARG HA 1.0 1.895 4.273 1908 1416 A 2 PRO HD2 A 1 LEU HG 1.0 1.913 4.417 1909 1417 A 2 PRO HD2 A 2 PRO HG3 1.0 1.812 3.734 1910 1418 A 2 PRO HD2 A 2 PRO HB2 1.0 1.885 4.193 1911 1419 A 70 LEU HB2 A 69 GLY HA2 1.0 1.933 4.603 1912 1420 A 2 PRO HD2 A 1 LEU HB2 1.0 1.880 4.162 1913 1421 A 6 SER HA A 1 LEU HB2 1.0 1.985 5.321 1914 1422 A 2 PRO HD2 A 2 PRO HG2 1.0 1.887 4.209 1915 1423 A 2 PRO HD2 A 5 THR HG2% 1.0 1.913 4.417 1916 1424 A 52 LYS HG2 A 49 CYS HA 1.0 1.822 3.790 1917 1425 A 5 THR HG2% A 5 THR HB 1.0 1.548 2.650 1918 1426 A 61 ILE HA A 61 ILE HG13 1.0 1.848 3.950 1919 1427 A 5 THR HA A 5 THR HG2% 1.0 1.574 2.736 1920 1428 A 77 THR HG2% A 77 THR HB 1.0 1.528 2.588 1921 1429 A 37 THR HG2% A 37 THR HB 1.0 1.534 2.606 1922 1430 A 61 ILE HA A 61 ILE HD1% 1.0 1.610 2.858 1923 1431 A 6 SER HA A 1 LEU HD1% 1.0 1.777 3.551 1924 1432 A 6 SER HA A 9 VAL HG2% 1.0 1.926 4.538 1925 1433 A 6 SER HA A 9 VAL HG1% 1.0 1.666 3.066 1926 1434 A 16 ILE HG13 A 37 THR HB 1.0 1.888 4.212 1927 1435 A 9 VAL HA A 9 VAL HG1% 1.0 0.000 6.000 1928 1436 A 9 VAL HA A 9 VAL HG2% 1.0 1.557 2.679 1929 1437 A 30 THR HG2% A 29 GLY HA2 1.0 1.761 3.477 1930 1438 A 18 SER HB2 A 20 VAL HG2% 1.0 1.789 3.613 1931 1439 A 2 PRO HD2 A 1 LEU HD2% 1.0 1.832 3.848 1932 1440 A 16 ILE HD1% A 22 PRO HD3 1.0 1.841 3.907 1933 1441 A 13 GLY HA2 A 40 VAL HG2% 1.0 1.835 3.867 1934 1442 A 13 GLY HA2 A 40 VAL HG1% 1.0 1.810 3.726 1935 1443 A 30 THR HG2% A 34 ARG HA 1.0 1.611 2.859 1936 1444 A 34 ARG HG3 A 34 ARG HA 1.0 1.885 4.193 1937 1445 A 40 VAL HG2% A 11 TYR HB2 1.0 0.000 6.000 1938 1446 A 24 PRO HB2 A 24 PRO HD2 1.0 0.000 6.000 1939 1447 A 2 PRO HD3 A 1 LEU HD2% 1.0 1.820 3.782 1940 1448 A 5 THR HG2% A 2 PRO HD3 1.0 1.704 3.220 1941 1449 A 2 PRO HD3 A 2 PRO HG2 1.0 1.891 4.243 1942 1450 A 2 PRO HD3 A 2 PRO HB2 1.0 1.904 4.344 1943 1451 A 5 THR HG2% A 8 CYS HB2 1.0 1.921 4.489 1944 1452 A 8 CYS HB3 A 5 THR HG2% 1.0 1.943 4.713 1945 1453 A 37 THR HG2% A 38 CYS HB3 1.0 1.939 4.661 1946 1454 A 63 CYS HB3 A 82 ILE HG13 1.0 1.871 4.095 1947 1455 A 70 LEU HD2% A 76 TRP HB3 1.0 1.862 4.032 1948 1456 A 46 PHE HB3 A 40 VAL HG1% 1.0 1.943 4.703 1949 1457 A 8 CYS HB3 A 9 VAL HG1% 1.0 1.964 4.972 1950 1458 A 40 VAL HG2% A 28 PHE HB3 1.0 0.000 6.000 1951 1459 A 40 VAL HG1% A 28 PHE HB3 1.0 1.736 3.358 1952 1460 A 46 PHE HB2 A 40 VAL HG1% 1.0 1.828 3.828 1953 1461 A 36 LYS HE3 A 2 PRO HB3 1.0 1.837 3.875 1954 1462 A 58 SER HB3 A 61 ILE HD1% 1.0 1.908 4.372 1955 1463 A 52 LYS HG2 A 52 LYS HE2 1.0 1.949 4.767 1956 1464 A 58 SER HB3 A 61 ILE HG12 1.0 1.940 4.682 1957 1465 A 40 VAL HB A 28 PHE HB3 1.0 1.918 4.466 1958 1466 A 25 PHE HB2 A 39 CYS HB2 1.0 1.878 4.148 1959 1467 A 79 CYS HB2 A 77 THR HG2% 1.0 0.000 6.000 1960 1468 A 52 LYS HG2 A 52 LYS HE3 1.0 1.949 4.767 1961 1469 A 28 PHE HB2 A 40 VAL HG1% 1.0 0.000 6.000 1962 1470 A 82 ILE HD1% A 79 CYS HB2 1.0 1.838 3.888 1963 1471 A 52 LYS HB2 A 52 LYS HE2 1.0 1.917 4.451 1964 1472 A 35 GLN HB2 A 35 GLN HG2 1.0 1.823 3.795 1965 1473 A 50 GLN HG2 A 50 GLN HG3 1.0 1.346 2.078 1966 1474 A 35 GLN HG3 A 35 GLN HB3 1.0 1.824 3.804 1967 1475 A 66 GLU HG3 A 66 GLU HG2 1.0 1.404 2.228 1968 1476 A 65 GLU HG3 A 65 GLU HG2 1.0 1.462 2.388 1969 1477 A 35 GLN HB2 A 35 GLN HG3 1.0 1.879 4.153 1970 1478 A 50 GLN HB3 A 50 GLN HG2 1.0 1.810 3.724 1971 1479 A 50 GLN HB3 A 50 GLN HG3 1.0 1.911 4.399 1972 1480 A 24 PRO HG3 A 24 PRO HG2 1.0 1.577 2.741 1973 1481 A 39 CYS HB3 A 39 CYS HB2 1.0 1.665 3.063 1974 1482 A 15 CYS HB2 A 36 LYS HB2 1.0 1.937 4.635 1975 1483 A 34 ARG HB2 A 34 ARG HG2 1.0 1.944 4.714 1976 1484 A 34 ARG HB2 A 34 ARG HG3 1.0 1.872 4.102 1977 1485 A 15 CYS HB2 A 5 THR HG2% 1.0 1.946 4.740 1978 1486 A 24 PRO HB2 A 24 PRO HG3 1.0 1.733 3.341 1979 1487 A 77 THR HG2% A 66 GLU HG2 1.0 1.774 3.538 1980 1488 A 30 THR HG2% A 34 ARG HB2 1.0 1.876 4.128 1981 1489 A 67 GLN HG2 A 67 GLN HG3 1.0 1.575 2.739 1982 1490 A 81 GLU HB3 A 81 GLU HB2 1.0 1.494 2.484 1983 1491 A 72 PRO HB2 A 72 PRO HB3 1.0 1.826 3.816 1984 1492 A 34 ARG HB3 A 34 ARG HG2 1.0 1.938 4.646 1985 1493 A 34 ARG HB3 A 34 ARG HG3 1.0 1.874 4.118 1986 1494 A 19 LYS HB2 A 19 LYS HG2 1.0 1.849 3.947 1987 1495 A 19 LYS HB2 A 19 LYS HG3 1.0 1.815 3.753 1988 1496 A 16 ILE HG12 A 16 ILE HB 1.0 1.874 4.118 1989 1497 A 17 ARG HB2 A 17 ARG HB3 1.0 1.471 2.415 1990 1498 A 19 LYS HB2 A 19 LYS HB3 1.0 1.445 2.339 1991 1499 A 3 ARG HB2 A 3 ARG HB3 1.0 1.446 2.342 1992 1500 A 5 THR HG2% A 9 VAL HB 1.0 1.946 4.744 1993 1501 A 52 LYS HB2 A 52 LYS HG2 1.0 1.872 4.100 1994 1502 A 57 VAL HB A 61 ILE HG13 1.0 1.895 4.275 1995 1503 A 57 VAL HB A 61 ILE HG12 1.0 1.946 4.738 1996 1504 A 77 THR HG2% A 66 GLU HB2 1.0 1.964 4.956 1997 1505 A 34 ARG HB3 A 30 THR HG2% 1.0 1.755 3.443 1998 1506 A 9 VAL HB A 9 VAL HG1% 1.0 1.523 2.569 1999 1507 A 9 VAL HB A 9 VAL HG2% 1.0 1.535 2.607 2000 1508 A 57 VAL HB A 61 ILE HG2% 1.0 1.719 3.281 2001 1509 A 57 VAL HB A 61 ILE HD1% 1.0 1.828 3.828 2002 1510 A 20 VAL HB A 20 VAL HG1% 1.0 1.433 2.307 2003 1511 A 61 ILE HG2% A 61 ILE HB 1.0 1.475 2.425 2004 1512 A 40 VAL HB A 40 VAL HG1% 1.0 1.611 2.859 2005 1513 A 61 ILE HB A 61 ILE HD1% 1.0 1.746 3.402 2006 1514 A 16 ILE HB A 16 ILE HG13 1.0 1.892 4.252 2007 1515 A 19 LYS HB2 A 37 THR HG2% 1.0 1.962 4.946 2008 1516 A 40 VAL HB A 42 THR HG2% 1.0 1.924 4.522 2009 1517 A 61 ILE HB A 61 ILE HG12 1.0 1.808 3.712 2010 1518 A 61 ILE HB A 61 ILE HG13 1.0 1.756 3.448 2011 1519 A 24 PRO HB2 A 24 PRO HB3 1.0 1.588 2.782 2012 1520 A 60 LYS HB3 A 60 LYS HB2 1.0 1.545 2.637 2013 1521 A 64 LEU HB2 A 64 LEU HB3 1.0 1.495 2.483 2014 1522 A 1 LEU HG A 1 LEU HB2 1.0 1.442 2.334 2015 1523 A 34 ARG HG2 A 34 ARG HG3 1.0 1.444 2.336 2016 1524 A 2 PRO HG3 A 2 PRO HG2 1.0 1.872 4.102 2017 1525 A 52 LYS HG3 A 52 LYS HG2 1.0 1.595 2.803 2018 1526 A 30 THR HG2% A 34 ARG HG3 1.0 1.910 4.396 2019 1527 A 30 THR HG2% A 34 ARG HG2 1.0 1.735 3.351 2020 1528 A 16 ILE HG12 A 16 ILE HG13 1.0 1.618 2.888 2021 1529 A 64 LEU HB3 A 64 LEU HD1% 1.0 1.746 3.404 2022 1530 A 64 LEU HD1% A 64 LEU HG 1.0 1.499 2.497 2023 1531 A 16 ILE HG12 A 16 ILE HD1% 1.0 1.561 2.691 2024 1532 A 82 ILE HB A 82 ILE HG2% 1.0 1.642 2.972 2025 1533 A 82 ILE HD1% A 82 ILE HB 1.0 1.750 3.424 2026 1534 A 72 PRO HB3 A 73 LEU HG 1.0 0.000 6.000 2027 1535 A 1 LEU HB2 A 1 LEU HD1% 1.0 1.747 3.407 2028 1536 A 68 LEU HG A 68 LEU HD1% 1.0 1.632 2.936 2029 1537 A 26 ALA HB% A 68 LEU HD2% 1.0 1.742 3.384 2030 1538 A 27 ALA HB% A 37 THR HG2% 1.0 1.483 2.449 2031 1539 A 26 ALA HB% A 42 THR HG2% 1.0 1.606 2.842 2032 1540 A 82 ILE HG13 A 82 ILE HG12 1.0 1.630 2.932 2033 1541 A 5 THR HG2% A 9 VAL HG1% 1.0 0.000 6.000 2034 1542 A 5 THR HG2% A 1 LEU HD1% 1.0 1.693 3.173 2035 1543 A 82 ILE HD1% A 82 ILE HG12 1.0 1.522 2.566 2036 1544 A 61 ILE HG2% A 61 ILE HG13 1.0 1.747 3.405 2037 1545 A 61 ILE HG2% A 61 ILE HG12 1.0 1.857 4.009 2038 1546 A 61 ILE HG13 A 61 ILE HD1% 1.0 1.610 2.856 2039 1547 A 61 ILE HG12 A 61 ILE HD1% 1.0 1.577 2.745 2040 1548 A 73 LEU HG A 73 LEU HD1% 1.0 1.579 2.751 2041 1549 A 73 LEU HB2 A 73 LEU HD1% 1.0 1.757 3.457 2042 1550 A 73 LEU HB2 A 73 LEU HB3 1.0 1.779 3.561 2043 1551 A 73 LEU HG A 73 LEU HB3 1.0 1.958 4.872 2044 1552 A 73 LEU HG A 73 LEU HD2% 1.0 1.709 3.239 2045 1553 A 73 LEU HB2 A 73 LEU HD2% 1.0 1.785 3.589 2046 1554 A 73 LEU HD1% A 73 LEU HD2% 1.0 1.594 2.802 2047 1555 A 73 LEU HB3 A 73 LEU HD2% 1.0 1.860 4.024 2048 1556 A 59 PRO HB3 A 60 LYS HA 1.0 1.998 5.730 2049 1557 A 52 LYS HB2 A 49 CYS HA 1.0 1.976 5.136 2050 1558 A 57 VAL H A 77 THR HA 1.0 1.995 5.575 2051 1559 A 41 ASP HB2 A 43 THR H 1.0 0.000 6.000 2052 1560 A 43 THR H A 24 PRO HG2 1.0 1.955 4.847 2053 1561 A 23 LYS H A 22 PRO HB3 1.0 1.762 3.480 2054 1562 A 9 VAL H A 9 VAL HB 1.0 1.609 2.853 2055 1563 A 67 GLN H A 67 GLN HG3 1.0 1.967 5.005 2056 1564 A 67 GLN H A 66 GLU HB2 1.0 0.000 6.000 2057 1565 A 76 TRP HZ3 A 56 CYS HA 1.0 1.983 5.293 2058 1566 A 56 CYS HA A 76 TRP HE3 1.0 1.906 4.360 2059 1567 A 25 PHE HD1 A 39 CYS HA 1.0 1.933 4.595 2060 1567 A 25 PHE HD2 A 39 CYS HA 1.0 1.933 4.595 2061 1568 A 32 SER HB3 A 31 CYS HA 1.0 1.985 5.329 2062 1569 A 8 CYS HA A 11 TYR HB2 1.0 1.995 5.621 2063 1570 A 82 ILE HA A 63 CYS HB3 1.0 1.988 5.394 2064 1571 A 49 CYS HB2 A 69 GLY HA3 1.0 1.999 5.813 2065 1572 A 49 CYS HB3 A 69 GLY HA3 1.0 1.997 5.665 2066 1573 A 79 CYS HB2 A 77 THR HB 1.0 1.993 5.519 2067 1574 A 72 PRO HD2 A 71 CYS HB2 1.0 1.992 5.500 2068 1575 A 25 PHE HB2 A 22 PRO HD3 1.0 1.990 5.444 2069 1576 A 12 HIS HB2 A 51 ASP HB2 1.0 1.999 5.813 2070 1577 A 32 SER HB2 A 36 LYS HE2 1.0 1.980 5.222 2071 1578 A 79 CYS HB3 A 66 GLU HG2 1.0 0.000 6.000 2072 1579 A 36 LYS HE3 A 36 LYS HB2 1.0 1.981 5.245 2073 1580 A 52 LYS HB3 A 52 LYS HE2 1.0 1.969 5.041 2074 1581 A 22 PRO HB3 A 22 PRO HB2 1.0 1.495 2.485 2075 1582 A 22 PRO HG3 A 22 PRO HG2 1.0 1.563 2.695 2076 1583 A 73 LEU HD1% A 73 LEU HB3 1.0 1.987 5.373 2077 1584 A 64 LEU HD2% A 64 LEU HG 1.0 1.771 3.523 2078 1585 A 60 LYS HB3 A 61 ILE HD1% 1.0 1.984 5.298 2079 1586 A 15 CYS HB2 A 36 LYS HB3 1.0 1.992 5.506 2080 1587 A 38 CYS HB2 A 37 THR HG2% 1.0 1.988 5.384 2081 1588 A 28 PHE HB2 A 42 THR HG2% 1.0 1.987 5.389 2082 1589 A 72 PRO HB2 A 73 LEU HD1% 1.0 1.988 5.392 2083 1590 A 36 LYS HE2 A 36 LYS HB3 1.0 1.974 5.114 2084 1591 A 58 SER HB3 A 61 ILE HG13 1.0 1.968 5.016 2085 1592 A 8 CYS HB2 A 9 VAL HG2% 1.0 0.000 6.000 2086 1593 A 68 LEU HD1% A 47 HIS HB3 1.0 2.000 5.888 2087 1594 A 58 SER HB2 A 61 ILE HD1% 1.0 1.991 5.477 2088 1595 A 14 TYR HA A 9 VAL HG2% 1.0 1.986 5.346 2089 1596 A 82 ILE HA A 82 ILE HG13 1.0 1.967 5.013 2090 1597 A 27 ALA HB% A 37 THR HB 1.0 1.983 5.275 2091 1598 A 1 LEU HG A 5 THR HB 1.0 1.945 4.731 2092 1599 A 22 PRO HA A 22 PRO HG2 1.0 0.000 6.000 2093 1600 A 34 ARG HB3 A 30 THR HB 1.0 1.981 5.227 2094 1601 A 59 PRO HA A 65 GLU HG2 1.0 0.000 6.000 2095 1602 A 23 LYS HA A 22 PRO HB2 1.0 1.996 5.638 2096 1603 A 29 GLY HA3 A 38 CYS HB2 1.0 1.989 5.417 2097 1604 A 38 CYS HB2 A 8 CYS HA 1.0 0.000 6.000 2098 1605 A 51 ASP HA A 50 GLN HG2 1.0 1.990 5.424 2099 1606 A 51 ASP HA A 50 GLN HG3 1.0 1.971 5.063 2100 1607 A 17 ARG HA A 36 LYS HE2 1.0 1.993 5.535 2101 1608 A 68 LEU HA A 78 CYS HB3 1.0 1.988 5.380 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 38 CYS H A 28 PHE O 1.0 1.730 2.700 2 2 A 28 PHE H A 38 CYS O 1.0 1.730 2.700 3 3 A 40 VAL H A 26 ALA O 1.0 1.730 2.700 4 4 A 26 ALA H A 40 VAL O 1.0 1.730 2.700 5 5 A 42 THR H A 24 PRO O 1.0 1.730 2.700 6 6 A 37 THR H A 16 ILE O 1.0 1.730 2.700 7 7 A 16 ILE H A 37 THR O 1.0 1.730 2.700 8 8 A 39 CYS H A 14 TYR O 1.0 1.730 2.700 9 9 A 14 TYR H A 39 CYS O 1.0 1.730 2.700 10 10 A 55 HIS H A 79 CYS O 1.0 1.730 2.700 11 11 A 79 CYS H A 55 HIS O 1.0 1.730 2.700 12 12 A 57 VAL H A 77 THR O 1.0 1.730 2.700 13 13 A 77 THR H A 57 VAL O 1.0 1.730 2.700 14 14 A 40 VAL O A 26 ALA N 1.0 2.516 3.927 15 15 A 39 CYS O A 14 TYR N 1.0 2.516 3.927 16 16 A 26 ALA O A 40 VAL N 1.0 2.516 3.927 17 17 A 28 PHE O A 38 CYS N 1.0 2.516 3.927 18 18 A 55 HIS O A 79 CYS N 1.0 2.516 3.927 19 19 A 57 VAL O A 77 THR N 1.0 2.516 3.927 20 20 A 37 THR O A 16 ILE N 1.0 2.516 3.927 21 21 A 24 PRO O A 42 THR N 1.0 2.516 3.927 22 22 A 38 CYS O A 28 PHE N 1.0 2.516 3.927 23 23 A 77 THR O A 57 VAL N 1.0 2.516 3.927 24 24 A 79 CYS O A 55 HIS N 1.0 2.516 3.927 25 25 A 16 ILE O A 37 THR N 1.0 2.516 3.927 26 26 A 14 TYR O A 39 CYS N 1.0 2.516 3.927 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 PRO C A 3 ARG N A 3 ARG CA A 3 ARG C 1.0 -110.0 -36.82 PHI 2 2 A 3 ARG N A 3 ARG CA A 3 ARG C A 4 ASP N 1.0 -50.0 19.94 PSI 3 3 A 3 ARG C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -110.0 -43.46 PHI 4 4 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 THR N 1.0 -70.0 19.02 PSI 5 5 A 4 ASP C A 5 THR N A 5 THR CA A 5 THR C 1.0 -90.0 -38.88 PHI 6 6 A 5 THR N A 5 THR CA A 5 THR C A 6 SER N 1.0 -70.0 -18.46 PSI 7 7 A 5 THR C A 6 SER N A 6 SER CA A 6 SER C 1.0 -90.0 -39.48 PHI 8 8 A 6 SER N A 6 SER CA A 6 SER C A 7 ARG N 1.0 -70.0 -11.94 PSI 9 9 A 6 SER C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -90.0 -39.98 PHI 10 10 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 CYS N 1.0 -60.0 -11.82 PSI 11 11 A 7 ARG C A 8 CYS N A 8 CYS CA A 8 CYS C 1.0 -90.0 -31.12 PHI 12 12 A 8 CYS N A 8 CYS CA A 8 CYS C A 9 VAL N 1.0 -70.0 -11.90 PSI 13 13 A 8 CYS C A 9 VAL N A 9 VAL CA A 9 VAL C 1.0 -100.0 -47.64 PHI 14 14 A 9 VAL N A 9 VAL CA A 9 VAL C A 10 GLY N 1.0 -50.0 4.14 PSI 15 15 A 9 VAL C A 10 GLY N A 10 GLY CA A 10 GLY C 1.0 -90.0 -22.36 PHI 16 16 A 10 GLY N A 10 GLY CA A 10 GLY C A 11 TYR N 1.0 -70.0 -11.10 PSI 17 17 A 10 GLY C A 11 TYR N A 11 TYR CA A 11 TYR C 1.0 -90.0 -39.82 PHI 18 18 A 11 TYR N A 11 TYR CA A 11 TYR C A 12 HIS N 1.0 -70.0 -2.52 PSI 19 19 A 11 TYR C A 12 HIS N A 12 HIS CA A 12 HIS C 1.0 -120.0 -50.42 PHI 20 20 A 12 HIS N A 12 HIS CA A 12 HIS C A 13 GLY N 1.0 -40.0 30.46 PSI 21 21 A 12 HIS C A 13 GLY N A 13 GLY CA A 13 GLY C 1.0 40.0 98.36 PHI 22 22 A 13 GLY C A 14 TYR N A 14 TYR CA A 14 TYR C 1.0 -180.0 22.02 PHI 23 23 A 14 TYR N A 14 TYR CA A 14 TYR C A 15 CYS N 1.0 100.0 203.34 PSI 24 24 A 14 TYR C A 15 CYS N A 15 CYS CA A 15 CYS C 1.0 -150.0 -13.50 PHI 25 25 A 15 CYS N A 15 CYS CA A 15 CYS C A 16 ILE N 1.0 90.0 178.84 PSI 26 26 A 15 CYS C A 16 ILE N A 16 ILE CA A 16 ILE C 1.0 -90.0 -38.68 PHI 27 27 A 18 SER C A 19 LYS N A 19 LYS CA A 19 LYS C 1.0 -100.0 -43.40 PHI 28 28 A 19 LYS N A 19 LYS CA A 19 LYS C A 20 VAL N 1.0 -70.0 21.14 PSI 29 29 A 19 LYS C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -120.0 -69.58 PHI 30 30 A 20 VAL N A 20 VAL CA A 20 VAL C A 21 CYS N 1.0 -40.0 30.26 PSI 31 31 A 20 VAL C A 21 CYS N A 21 CYS CA A 21 CYS C 1.0 -110.0 -38.46 PHI 32 32 A 21 CYS N A 21 CYS CA A 21 CYS C A 22 PRO N 1.0 100.0 206.74 PSI 33 33 A 21 CYS C A 22 PRO N A 22 PRO CA A 22 PRO C 1.0 -90.0 -34.24 PHI 34 34 A 22 PRO N A 22 PRO CA A 22 PRO C A 23 LYS N 1.0 120.0 183.22 PSI 35 35 A 23 LYS C A 24 PRO N A 24 PRO CA A 24 PRO C 1.0 -80.0 -36.52 PHI 36 36 A 24 PRO N A 24 PRO CA A 24 PRO C A 25 PHE N 1.0 110.0 178.72 PSI 37 37 A 25 PHE C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -170.0 -80.30 PHI 38 38 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 ALA N 1.0 110.0 166.26 PSI 39 39 A 26 ALA C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -150.0 -6.80 PHI 40 40 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 PHE N 1.0 90.0 175.86 PSI 41 41 A 27 ALA C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -170.0 33.00 PHI 42 42 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 GLY N 1.0 90.0 185.56 PSI 43 43 A 29 GLY C A 30 THR N A 30 THR CA A 30 THR C 1.0 -170.0 4.10 PHI 44 44 A 30 THR N A 30 THR CA A 30 THR C A 31 CYS N 1.0 110.0 206.58 PSI 45 45 A 30 THR C A 31 CYS N A 31 CYS CA A 31 CYS C 1.0 -90.0 -25.68 PHI 46 46 A 31 CYS N A 31 CYS CA A 31 CYS C A 32 SER N 1.0 -70.0 0.08 PSI 47 47 A 31 CYS C A 32 SER N A 32 SER CA A 32 SER C 1.0 -110.0 -39.62 PHI 48 48 A 32 SER N A 32 SER CA A 32 SER C A 33 TRP N 1.0 -70.0 -8.02 PSI 49 49 A 32 SER C A 33 TRP N A 33 TRP CA A 33 TRP C 1.0 -90.0 -24.12 PHI 50 50 A 34 ARG N A 34 ARG CA A 34 ARG C A 35 GLN N 1.0 -70.0 -13.56 PSI 51 51 A 34 ARG C A 35 GLN N A 35 GLN CA A 35 GLN C 1.0 -90.0 -20.86 PHI 52 52 A 35 GLN N A 35 GLN CA A 35 GLN C A 36 LYS N 1.0 -70.0 -6.26 PSI 53 53 A 35 GLN C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -180.0 -81.28 PHI 54 54 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 THR N 1.0 100.0 211.94 PSI 55 55 A 36 LYS C A 37 THR N A 37 THR CA A 37 THR C 1.0 -150.0 -79.26 PHI 56 56 A 37 THR N A 37 THR CA A 37 THR C A 38 CYS N 1.0 90.0 161.78 PSI 57 57 A 37 THR C A 38 CYS N A 38 CYS CA A 38 CYS C 1.0 -150.0 -83.58 PHI 58 58 A 38 CYS N A 38 CYS CA A 38 CYS C A 39 CYS N 1.0 100.0 155.94 PSI 59 59 A 38 CYS C A 39 CYS N A 39 CYS CA A 39 CYS C 1.0 -180.0 -48.26 PHI 60 60 A 39 CYS N A 39 CYS CA A 39 CYS C A 40 VAL N 1.0 100.0 189.46 PSI 61 61 A 39 CYS C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -160.0 -79.96 PHI 62 62 A 40 VAL N A 40 VAL CA A 40 VAL C A 41 ASP N 1.0 100.0 161.36 PSI 63 63 A 40 VAL C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -160.0 -0.72 PHI 64 64 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 THR N 1.0 90.0 172.44 PSI 65 65 A 41 ASP C A 42 THR N A 42 THR CA A 42 THR C 1.0 -170.0 21.90 PHI 66 66 A 42 THR N A 42 THR CA A 42 THR C A 43 THR N 1.0 90.0 186.86 PSI 67 67 A 42 THR C A 43 THR N A 43 THR CA A 43 THR C 1.0 -110.0 -39.74 PHI 68 68 A 43 THR N A 43 THR CA A 43 THR C A 44 SER N 1.0 -70.0 -6.18 PSI 69 69 A 43 THR C A 44 SER N A 44 SER CA A 44 SER C 1.0 -90.0 -35.76 PHI 70 70 A 44 SER N A 44 SER CA A 44 SER C A 45 ASP N 1.0 -70.0 11.74 PSI 71 71 A 44 SER C A 45 ASP N A 45 ASP CA A 45 ASP C 1.0 -90.0 -39.86 PHI 72 72 A 45 ASP N A 45 ASP CA A 45 ASP C A 46 PHE N 1.0 -70.0 -10.30 PSI 73 73 A 45 ASP C A 46 PHE N A 46 PHE CA A 46 PHE C 1.0 -100.0 -44.98 PHI 74 74 A 46 PHE N A 46 PHE CA A 46 PHE C A 47 HIS N 1.0 -70.0 -4.18 PSI 75 75 A 46 PHE C A 47 HIS N A 47 HIS CA A 47 HIS C 1.0 -100.0 -46.54 PHI 76 76 A 47 HIS N A 47 HIS CA A 47 HIS C A 48 THR N 1.0 -70.0 -6.20 PSI 77 77 A 47 HIS C A 48 THR N A 48 THR CA A 48 THR C 1.0 -100.0 -49.76 PHI 78 78 A 48 THR N A 48 THR CA A 48 THR C A 49 CYS N 1.0 -70.0 1.16 PSI 79 79 A 48 THR C A 49 CYS N A 49 CYS CA A 49 CYS C 1.0 -90.0 -38.14 PHI 80 80 A 49 CYS N A 49 CYS CA A 49 CYS C A 50 GLN N 1.0 -60.0 -12.28 PSI 81 81 A 49 CYS C A 50 GLN N A 50 GLN CA A 50 GLN C 1.0 -90.0 -38.90 PHI 82 82 A 50 GLN N A 50 GLN CA A 50 GLN C A 51 ASP N 1.0 -70.0 -16.14 PSI 83 83 A 50 GLN C A 51 ASP N A 51 ASP CA A 51 ASP C 1.0 -80.0 -44.72 PHI 84 84 A 51 ASP N A 51 ASP CA A 51 ASP C A 52 LYS N 1.0 -60.0 3.64 PSI 85 85 A 51 ASP C A 52 LYS N A 52 LYS CA A 52 LYS C 1.0 -120.0 -69.50 PHI 86 86 A 52 LYS N A 52 LYS CA A 52 LYS C A 53 GLY N 1.0 -20.0 29.80 PSI 87 87 A 53 GLY C A 54 GLY N A 54 GLY CA A 54 GLY C 1.0 -120.0 -25.24 PHI 88 88 A 54 GLY N A 54 GLY CA A 54 GLY C A 55 HIS N 1.0 110.0 198.20 PSI 89 89 A 54 GLY C A 55 HIS N A 55 HIS CA A 55 HIS C 1.0 -100.0 -44.10 PHI 90 90 A 55 HIS N A 55 HIS CA A 55 HIS C A 56 CYS N 1.0 100.0 181.86 PSI 91 91 A 55 HIS C A 56 CYS N A 56 CYS CA A 56 CYS C 1.0 -180.0 -15.48 PHI 92 92 A 56 CYS N A 56 CYS CA A 56 CYS C A 57 VAL N 1.0 90.0 191.00 PSI 93 93 A 56 CYS C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -170.0 -94.56 PHI 94 94 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 SER N 1.0 120.0 197.68 PSI 95 95 A 57 VAL C A 58 SER N A 58 SER CA A 58 SER C 1.0 -160.0 9.74 PHI 96 96 A 58 SER N A 58 SER CA A 58 SER C A 59 PRO N 1.0 90.0 203.18 PSI 97 97 A 58 SER C A 59 PRO N A 59 PRO CA A 59 PRO C 1.0 -80.0 -29.98 PHI 98 98 A 59 PRO N A 59 PRO CA A 59 PRO C A 60 LYS N 1.0 -60.0 -2.60 PSI 99 99 A 59 PRO C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -120.0 -32.64 PHI 100 100 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 ILE N 1.0 -40.0 11.40 PSI 101 101 A 60 LYS C A 61 ILE N A 61 ILE CA A 61 ILE C 1.0 -170.0 -82.64 PHI 102 102 A 61 ILE N A 61 ILE CA A 61 ILE C A 62 ARG N 1.0 90.0 175.74 PSI 103 103 A 61 ILE C A 62 ARG N A 62 ARG CA A 62 ARG C 1.0 -160.0 -65.88 PHI 104 104 A 62 ARG N A 62 ARG CA A 62 ARG C A 63 CYS N 1.0 90.0 158.24 PSI 105 105 A 62 ARG C A 63 CYS N A 63 CYS CA A 63 CYS C 1.0 -130.0 -33.26 PHI 106 106 A 63 CYS N A 63 CYS CA A 63 CYS C A 64 LEU N 1.0 90.0 155.70 PSI 107 107 A 63 CYS C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -150.0 -20.08 PHI 108 108 A 64 LEU N A 64 LEU CA A 64 LEU C A 65 GLU N 1.0 90.0 180.28 PSI 109 109 A 64 LEU C A 65 GLU N A 65 GLU CA A 65 GLU C 1.0 -180.0 -82.70 PHI 110 110 A 65 GLU N A 65 GLU CA A 65 GLU C A 66 GLU N 1.0 90.0 168.06 PSI 111 111 A 69 GLY C A 70 LEU N A 70 LEU CA A 70 LEU C 1.0 -110.0 -28.40 PHI 112 112 A 70 LEU N A 70 LEU CA A 70 LEU C A 71 CYS N 1.0 100.0 175.76 PSI 113 113 A 70 LEU C A 71 CYS N A 71 CYS CA A 71 CYS C 1.0 -90.0 -40.66 PHI 114 114 A 71 CYS N A 71 CYS CA A 71 CYS C A 72 PRO N 1.0 110.0 159.90 PSI 115 115 A 71 CYS C A 72 PRO N A 72 PRO CA A 72 PRO C 1.0 -80.0 -30.00 PHI 116 116 A 72 PRO N A 72 PRO CA A 72 PRO C A 73 LEU N 1.0 -60.0 -9.76 PSI 117 117 A 72 PRO C A 73 LEU N A 73 LEU CA A 73 LEU C 1.0 -90.0 -42.26 PHI 118 118 A 74 LYS N A 74 LYS CA A 74 LYS C A 75 ARG N 1.0 -70.0 -2.50 PSI 119 119 A 74 LYS C A 75 ARG N A 75 ARG CA A 75 ARG C 1.0 -110.0 -34.10 PHI 120 120 A 75 ARG N A 75 ARG CA A 75 ARG C A 76 TRP N 1.0 -50.0 11.24 PSI 121 121 A 76 TRP N A 76 TRP CA A 76 TRP C A 77 THR N 1.0 90.0 215.04 PSI 122 122 A 76 TRP C A 77 THR N A 77 THR CA A 77 THR C 1.0 -120.0 -14.88 PHI 123 123 A 77 THR N A 77 THR CA A 77 THR C A 78 CYS N 1.0 100.0 169.58 PSI 124 124 A 77 THR C A 78 CYS N A 78 CYS CA A 78 CYS C 1.0 -140.0 -32.88 PHI 125 125 A 78 CYS N A 78 CYS CA A 78 CYS C A 79 CYS N 1.0 90.0 140.26 PSI 126 126 A 78 CYS C A 79 CYS N A 79 CYS CA A 79 CYS C 1.0 -130.0 -22.06 PHI 127 127 A 79 CYS N A 79 CYS CA A 79 CYS C A 80 LYS N 1.0 90.0 171.86 PSI 128 128 A 79 CYS C A 80 LYS N A 80 LYS CA A 80 LYS C 1.0 -130.0 -12.34 PHI 129 129 A 80 LYS N A 80 LYS CA A 80 LYS C A 81 GLU N 1.0 100.0 177.88 PSI stop_ save_