data_nef_c34001_5l3m 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 34000 BMRB 34002 PDB 5L3M 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 9 CYS SG 1 49 CYS SG 1 21 CYS SG 1 62 CYS SG 1 48 CYS SG 1 53 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 ALA start . . 2 A 2 TYR middle . . 3 A 3 ARG middle . . 4 A 4 PRO middle . false 5 A 5 SER middle . . 6 A 6 GLU middle . . 7 A 7 THR middle . . 8 A 8 LEU middle . . 9 A 9 CYS middle -HG . 10 A 10 GLY middle . false 11 A 11 GLY middle . false 12 A 12 GLU middle . . 13 A 13 LEU middle . . 14 A 14 VAL middle . . 15 A 15 ASP middle . . 16 A 16 THR middle . . 17 A 17 LEU middle . . 18 A 18 GLN middle . . 19 A 19 PHE middle . . 20 A 20 VAL middle . . 21 A 21 CYS middle -HG . 22 A 22 GLY middle . false 23 A 23 ASP middle . . 24 A 24 ARG middle . . 25 A 25 GLY middle . false 26 A 26 PHE middle . . 27 A 27 TYR middle . . 28 A 28 PHE middle . . 29 A 29 SER middle . . 30 A 30 ARG middle . . 31 A 31 PRO middle . false 32 A 32 ALA middle . . 33 A 33 SER middle . . 34 A 34 ARG middle . . 35 A 35 VAL middle . . 36 A 36 SER middle . . 37 A 37 ARG middle . . 38 A 38 ARG middle . . 39 A 39 SER middle . . 40 A 40 PRO middle . false 41 A 41 GLN middle . . 42 A 42 ARG middle . . 43 A 43 GLY middle . false 44 A 44 ILE middle . . 45 A 45 VAL middle . . 46 A 46 GLU middle . . 47 A 47 GLU middle . . 48 A 48 CYS middle -HG . 49 A 49 CYS middle -HG . 50 A 50 PHE middle . . 51 A 51 ARG middle . . 52 A 52 SER middle . . 53 A 53 CYS middle -HG . 54 A 54 ASP middle . . 55 A 55 LEU middle . . 56 A 56 ALA middle . . 57 A 57 LEU middle . . 58 A 58 LEU middle . . 59 A 59 GLU middle . . 60 A 60 THR middle . . 61 A 61 TYR middle . . 62 A 62 CYS middle -HG . 63 A 63 ALA middle . . 64 A 64 THR middle . . 65 A 65 PRO middle . false 66 A 66 ALA middle . . 67 A 67 LYS middle . . 68 A 68 SER middle . . 69 A 69 GLU 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 ALA H H 1 8.594 0.020 A 1 ALA HA H 1 4.438 0.020 A 1 ALA HB% H 1 1.431 0.020 A 1 ALA CA C 13 52.435 0.200 A 1 ALA CB C 13 19.557 0.200 A 1 ALA N N 15 123.652 0.200 A 2 TYR H H 1 8.377 0.020 A 2 TYR HA H 1 4.653 0.020 A 2 TYR HBy H 1 3.115 0.020 A 2 TYR HBx H 1 3.038 0.020 A 2 TYR HDx H 1 7.214 0.020 A 2 TYR HDy H 1 7.214 0.020 A 2 TYR HEx H 1 6.918 0.020 A 2 TYR HEy H 1 6.918 0.020 A 2 TYR CB C 13 39.046 0.200 A 2 TYR CDx C 13 133.295 0.200 A 2 TYR CEx C 13 118.225 0.200 A 2 TYR N N 15 120.587 0.200 A 3 ARG H H 1 8.210 0.020 A 3 ARG HA H 1 4.673 0.020 A 3 ARG HBy H 1 1.878 0.020 A 3 ARG HBx H 1 1.739 0.020 A 3 ARG HDx H 1 3.284 0.020 A 3 ARG HDy H 1 3.284 0.020 A 3 ARG HGx H 1 1.675 0.020 A 3 ARG HGy H 1 1.675 0.020 A 3 ARG CB C 13 30.994 0.200 A 3 ARG CD C 13 43.536 0.200 A 3 ARG CG C 13 26.867 0.200 A 3 ARG N N 15 125.719 0.200 A 4 PRO HA H 1 4.465 0.020 A 4 PRO HBy H 1 2.423 0.020 A 4 PRO HBx H 1 2.066 0.020 A 4 PRO HDy H 1 3.694 0.020 A 4 PRO HDx H 1 3.635 0.020 A 4 PRO HGx H 1 2.098 0.020 A 4 PRO HGy H 1 2.098 0.020 A 4 PRO CA C 13 63.283 0.200 A 4 PRO CB C 13 32.219 0.200 A 4 PRO CD C 13 50.736 0.200 A 4 PRO CG C 13 27.370 0.200 A 5 SER H H 1 8.311 0.020 A 5 SER HA H 1 4.535 0.020 A 5 SER HBx H 1 4.017 0.020 A 5 SER HBy H 1 4.017 0.020 A 5 SER CB C 13 64.016 0.200 A 5 SER N N 15 115.274 0.200 A 6 GLU H H 1 8.570 0.020 A 6 GLU HA H 1 4.571 0.020 A 6 GLU HBy H 1 2.252 0.020 A 6 GLU HBx H 1 2.111 0.020 A 6 GLU HGx H 1 2.439 0.020 A 6 GLU HGy H 1 2.439 0.020 A 6 GLU CB C 13 29.787 0.200 A 6 GLU CG C 13 34.905 0.200 A 6 GLU N N 15 122.286 0.200 A 7 THR H H 1 8.026 0.020 A 7 THR HA H 1 4.634 0.020 A 7 THR HB H 1 4.631 0.020 A 7 THR HG2% H 1 1.051 0.020 A 7 THR CG2 C 13 22.527 0.200 A 7 THR N N 15 113.866 0.200 A 8 LEU H H 1 8.715 0.020 A 8 LEU HA H 1 4.721 0.020 A 8 LEU HBy H 1 1.677 0.020 A 8 LEU HBx H 1 1.427 0.020 A 8 LEU HDx% H 1 0.957 0.020 A 8 LEU HDy% H 1 0.925 0.020 A 8 LEU HG H 1 1.287 0.020 A 8 LEU CB C 13 44.936 0.200 A 8 LEU CDx C 13 24.266 0.200 A 8 LEU CDy C 13 26.243 0.200 A 8 LEU CG C 13 26.826 0.200 A 8 LEU N N 15 124.930 0.200 A 9 CYS H H 1 8.514 0.020 A 9 CYS HA H 1 5.026 0.020 A 9 CYS HBy H 1 3.299 0.020 A 9 CYS HBx H 1 2.957 0.020 A 9 CYS CB C 13 48.505 0.200 A 9 CYS N N 15 119.506 0.200 A 10 GLY H H 1 9.113 0.020 A 10 GLY HAy H 1 4.030 0.020 A 10 GLY HAx H 1 3.928 0.020 A 10 GLY CA C 13 47.108 0.200 A 10 GLY N N 15 109.252 0.200 A 11 GLY H H 1 9.055 0.020 A 11 GLY HAy H 1 3.933 0.020 A 11 GLY HAx H 1 3.841 0.020 A 11 GLY CA C 13 47.368 0.200 A 11 GLY N N 15 113.624 0.200 A 12 GLU H H 1 8.870 0.020 A 12 GLU HA H 1 4.173 0.020 A 12 GLU HBy H 1 2.380 0.020 A 12 GLU HBx H 1 2.083 0.020 A 12 GLU HGy H 1 2.705 0.020 A 12 GLU HGx H 1 2.593 0.020 A 12 GLU CA C 13 60.207 0.200 A 12 GLU CB C 13 29.049 0.200 A 12 GLU CG C 13 36.340 0.200 A 12 GLU N N 15 121.796 0.200 A 13 LEU H H 1 7.228 0.020 A 13 LEU HA H 1 3.911 0.020 A 13 LEU HBy H 1 2.184 0.020 A 13 LEU HBx H 1 1.156 0.020 A 13 LEU HDx% H 1 0.948 0.020 A 13 LEU HDy% H 1 0.760 0.020 A 13 LEU HG H 1 1.379 0.020 A 13 LEU CA C 13 58.423 0.200 A 13 LEU CB C 13 40.267 0.200 A 13 LEU CDy C 13 25.749 0.200 A 13 LEU CDx C 13 22.672 0.200 A 13 LEU CG C 13 27.477 0.200 A 13 LEU N N 15 124.051 0.200 A 14 VAL H H 1 7.563 0.020 A 14 VAL HA H 1 3.463 0.020 A 14 VAL HB H 1 2.266 0.020 A 14 VAL HGx% H 1 1.240 0.020 A 14 VAL HGy% H 1 1.220 0.020 A 14 VAL CA C 13 67.622 0.200 A 14 VAL CB C 13 31.659 0.200 A 14 VAL CGy C 13 23.026 0.200 A 14 VAL CGx C 13 21.673 0.200 A 14 VAL N N 15 118.954 0.200 A 15 ASP H H 1 8.738 0.020 A 15 ASP HA H 1 4.670 0.020 A 15 ASP HBy H 1 3.032 0.020 A 15 ASP HBx H 1 2.655 0.020 A 15 ASP CB C 13 42.011 0.200 A 15 ASP N N 15 118.266 0.200 A 16 THR H H 1 7.993 0.020 A 16 THR HA H 1 4.091 0.020 A 16 THR HB H 1 4.327 0.020 A 16 THR HG1 H 1 5.170 0.020 A 16 THR HG2% H 1 1.332 0.020 A 16 THR CA C 13 68.330 0.200 A 16 THR CB C 13 68.048 0.200 A 16 THR CG2 C 13 21.692 0.200 A 16 THR N N 15 116.874 0.200 A 17 LEU H H 1 8.339 0.020 A 17 LEU HA H 1 3.748 0.020 A 17 LEU HBy H 1 1.166 0.020 A 17 LEU HBx H 1 0.258 0.020 A 17 LEU HDx% H 1 0.440 0.020 A 17 LEU HDy% H 1 0.581 0.020 A 17 LEU HG H 1 1.135 0.020 A 17 LEU CA C 13 58.774 0.200 A 17 LEU CB C 13 41.393 0.200 A 17 LEU CDy C 13 25.525 0.200 A 17 LEU CDx C 13 23.998 0.200 A 17 LEU CG C 13 27.144 0.200 A 17 LEU N N 15 124.794 0.200 A 18 GLN H H 1 8.327 0.020 A 18 GLN HA H 1 4.327 0.020 A 18 GLN HBy H 1 2.516 0.020 A 18 GLN HBx H 1 2.456 0.020 A 18 GLN HE2y H 1 7.431 0.020 A 18 GLN HE2x H 1 7.083 0.020 A 18 GLN HGy H 1 2.887 0.020 A 18 GLN HGx H 1 2.703 0.020 A 18 GLN CA C 13 59.139 0.200 A 18 GLN CB C 13 28.728 0.200 A 18 GLN CG C 13 34.938 0.200 A 18 GLN N N 15 116.751 0.200 A 18 GLN NE2 N 15 111.160 0.200 A 19 PHE H H 1 7.786 0.020 A 19 PHE HA H 1 3.978 0.020 A 19 PHE HBy H 1 2.715 0.020 A 19 PHE HBx H 1 2.399 0.020 A 19 PHE HDx H 1 5.721 0.020 A 19 PHE HDy H 1 5.721 0.020 A 19 PHE HEx H 1 6.519 0.020 A 19 PHE HEy H 1 6.519 0.020 A 19 PHE HZ H 1 6.641 0.020 A 19 PHE CA C 13 59.558 0.200 A 19 PHE CB C 13 40.727 0.200 A 19 PHE CDx C 13 131.088 0.200 A 19 PHE CEx C 13 129.106 0.200 A 19 PHE CZ C 13 127.638 0.200 A 19 PHE N N 15 119.918 0.200 A 20 VAL H H 1 8.668 0.020 A 20 VAL HA H 1 3.268 0.020 A 20 VAL HB H 1 1.983 0.020 A 20 VAL HGx% H 1 1.074 0.020 A 20 VAL HGy% H 1 0.898 0.020 A 20 VAL CA C 13 65.661 0.200 A 20 VAL CB C 13 32.186 0.200 A 20 VAL CGy C 13 24.125 0.200 A 20 VAL CGx C 13 21.186 0.200 A 20 VAL N N 15 117.857 0.200 A 21 CYS H H 1 8.571 0.020 A 21 CYS HA H 1 4.884 0.020 A 21 CYS HBy H 1 3.452 0.020 A 21 CYS HBx H 1 2.986 0.020 A 21 CYS CB C 13 36.430 0.200 A 21 CYS N N 15 114.628 0.200 A 22 GLY H H 1 7.952 0.020 A 22 GLY HAy H 1 4.252 0.020 A 22 GLY HAx H 1 4.024 0.020 A 22 GLY CA C 13 47.134 0.200 A 22 GLY N N 15 110.368 0.200 A 23 ASP H H 1 9.419 0.020 A 23 ASP HA H 1 4.815 0.020 A 23 ASP HBy H 1 3.046 0.020 A 23 ASP HBx H 1 2.645 0.020 A 23 ASP CB C 13 41.177 0.200 A 23 ASP N N 15 126.488 0.200 A 24 ARG H H 1 8.329 0.020 A 24 ARG HA H 1 4.143 0.020 A 24 ARG HBy H 1 2.295 0.020 A 24 ARG HBx H 1 2.241 0.020 A 24 ARG HDx H 1 3.481 0.020 A 24 ARG HDy H 1 3.481 0.020 A 24 ARG HE H 1 7.030 0.020 A 24 ARG HGy H 1 2.062 0.020 A 24 ARG HGx H 1 1.855 0.020 A 24 ARG CA C 13 58.730 0.200 A 24 ARG CB C 13 31.566 0.200 A 24 ARG CD C 13 44.824 0.200 A 24 ARG CG C 13 27.270 0.200 A 24 ARG N N 15 118.382 0.200 A 24 ARG NE N 15 83.898 0.200 A 25 GLY H H 1 7.296 0.020 A 25 GLY HAy H 1 4.194 0.020 A 25 GLY HAx H 1 3.847 0.020 A 25 GLY CA C 13 44.231 0.200 A 25 GLY N N 15 102.256 0.200 A 26 PHE H H 1 7.621 0.020 A 26 PHE HA H 1 5.359 0.020 A 26 PHE HBy H 1 3.447 0.020 A 26 PHE HBx H 1 2.952 0.020 A 26 PHE HDx H 1 6.748 0.020 A 26 PHE HDy H 1 6.748 0.020 A 26 PHE HEx H 1 7.106 0.020 A 26 PHE HEy H 1 7.106 0.020 A 26 PHE HZ H 1 7.344 0.020 A 26 PHE CA C 13 56.019 0.200 A 26 PHE CB C 13 42.424 0.200 A 26 PHE CDx C 13 132.833 0.200 A 26 PHE CEx C 13 131.143 0.200 A 26 PHE CZ C 13 129.669 0.200 A 26 PHE N N 15 112.620 0.200 A 27 TYR H H 1 8.798 0.020 A 27 TYR HA H 1 5.052 0.020 A 27 TYR HBy H 1 3.552 0.020 A 27 TYR HBx H 1 3.138 0.020 A 27 TYR HDx H 1 7.236 0.020 A 27 TYR HDy H 1 7.236 0.020 A 27 TYR HEx H 1 6.907 0.020 A 27 TYR HEy H 1 6.907 0.020 A 27 TYR CA C 13 55.779 0.200 A 27 TYR CB C 13 41.598 0.200 A 27 TYR CDx C 13 133.371 0.200 A 27 TYR CEx C 13 118.189 0.200 A 27 TYR N N 15 118.747 0.200 A 28 PHE H H 1 8.903 0.020 A 28 PHE HA H 1 4.937 0.020 A 28 PHE HBy H 1 3.437 0.020 A 28 PHE HBx H 1 3.224 0.020 A 28 PHE HDx H 1 7.403 0.020 A 28 PHE HDy H 1 7.403 0.020 A 28 PHE HEx H 1 7.372 0.020 A 28 PHE HEy H 1 7.372 0.020 A 28 PHE HZ H 1 7.413 0.020 A 28 PHE CB C 13 40.492 0.200 A 28 PHE CDx C 13 131.431 0.200 A 28 PHE CEx C 13 131.490 0.200 A 28 PHE CZ C 13 129.731 0.200 A 28 PHE N N 15 115.942 0.200 A 29 SER H H 1 8.123 0.020 A 29 SER HA H 1 5.079 0.020 A 29 SER HBy H 1 4.060 0.020 A 29 SER HBx H 1 4.004 0.020 A 29 SER CB C 13 64.981 0.200 A 29 SER N N 15 113.458 0.200 A 30 ARG H H 1 8.723 0.020 A 30 ARG HA H 1 4.544 0.020 A 30 ARG HBy H 1 1.824 0.020 A 30 ARG HBx H 1 1.690 0.020 A 30 ARG HDx H 1 3.007 0.020 A 30 ARG HDy H 1 3.007 0.020 A 30 ARG HE H 1 6.925 0.020 A 30 ARG HGx H 1 1.527 0.020 A 30 ARG HGy H 1 1.527 0.020 A 30 ARG CB C 13 30.274 0.200 A 30 ARG CD C 13 43.525 0.200 A 30 ARG CG C 13 26.796 0.200 A 30 ARG N N 15 122.421 0.200 A 30 ARG NE N 15 84.485 0.200 A 31 PRO HA H 1 4.316 0.020 A 31 PRO HBy H 1 2.170 0.020 A 31 PRO HBx H 1 1.891 0.020 A 31 PRO HDy H 1 3.566 0.020 A 31 PRO HDx H 1 3.487 0.020 A 31 PRO HGy H 1 1.993 0.020 A 31 PRO HGx H 1 1.868 0.020 A 31 PRO CA C 13 62.985 0.200 A 31 PRO CB C 13 31.964 0.200 A 31 PRO CD C 13 50.434 0.200 A 31 PRO CG C 13 27.454 0.200 A 32 ALA H H 1 8.493 0.020 A 32 ALA HA H 1 4.283 0.020 A 32 ALA HB% H 1 1.491 0.020 A 32 ALA CA C 13 53.091 0.200 A 32 ALA CB C 13 19.482 0.200 A 32 ALA N N 15 124.164 0.200 A 33 SER H H 1 8.226 0.020 A 33 SER HA H 1 4.553 0.020 A 33 SER HBy H 1 4.020 0.020 A 33 SER HBx H 1 3.931 0.020 A 33 SER CB C 13 64.092 0.200 A 33 SER N N 15 113.592 0.200 A 34 ARG H H 1 8.488 0.020 A 34 ARG HA H 1 4.434 0.020 A 34 ARG HBy H 1 2.014 0.020 A 34 ARG HBx H 1 1.861 0.020 A 34 ARG HDx H 1 3.292 0.020 A 34 ARG HDy H 1 3.292 0.020 A 34 ARG HGx H 1 1.724 0.020 A 34 ARG HGy H 1 1.724 0.020 A 34 ARG CB C 13 30.564 0.200 A 34 ARG CD C 13 43.451 0.200 A 34 ARG CG C 13 27.311 0.200 A 34 ARG N N 15 122.274 0.200 A 35 VAL H H 1 7.947 0.020 A 35 VAL HA H 1 4.257 0.020 A 35 VAL HB H 1 2.209 0.020 A 35 VAL HGx% H 1 1.017 0.020 A 35 VAL HGy% H 1 1.004 0.020 A 35 VAL CA C 13 62.509 0.200 A 35 VAL CB C 13 32.744 0.200 A 35 VAL CGy C 13 21.266 0.200 A 35 VAL CGx C 13 20.558 0.200 A 35 VAL N N 15 118.055 0.200 A 36 SER H H 1 8.163 0.020 A 36 SER HA H 1 4.574 0.020 A 36 SER HBy H 1 4.003 0.020 A 36 SER HBx H 1 3.938 0.020 A 36 SER CB C 13 64.072 0.200 A 36 SER N N 15 117.906 0.200 A 37 ARG H H 1 8.455 0.020 A 37 ARG HA H 1 4.399 0.020 A 37 ARG HBy H 1 2.009 0.020 A 37 ARG HBx H 1 1.897 0.020 A 37 ARG HGx H 1 1.752 0.020 A 37 ARG HGy H 1 1.752 0.020 A 37 ARG CB C 13 30.516 0.200 A 37 ARG CG C 13 27.330 0.200 A 37 ARG N N 15 122.440 0.200 A 38 ARG H H 1 8.305 0.020 A 38 ARG HA H 1 4.413 0.020 A 38 ARG HBy H 1 2.006 0.020 A 38 ARG HBx H 1 1.846 0.020 A 38 ARG HDx H 1 3.294 0.020 A 38 ARG HDy H 1 3.294 0.020 A 38 ARG HGx H 1 1.723 0.020 A 38 ARG HGy H 1 1.723 0.020 A 38 ARG CA C 13 56.996 0.200 A 38 ARG CB C 13 30.651 0.200 A 38 ARG CG C 13 27.289 0.200 A 38 ARG N N 15 119.518 0.200 A 39 SER H H 1 8.008 0.020 A 39 SER HA H 1 4.864 0.020 A 39 SER HBy H 1 3.961 0.020 A 39 SER HBx H 1 3.928 0.020 A 39 SER CB C 13 63.666 0.200 A 39 SER N N 15 116.936 0.200 A 40 PRO HA H 1 4.559 0.020 A 40 PRO HBy H 1 2.410 0.020 A 40 PRO HBx H 1 2.018 0.020 A 40 PRO HDy H 1 3.897 0.020 A 40 PRO HDx H 1 3.795 0.020 A 40 PRO HGx H 1 2.092 0.020 A 40 PRO HGy H 1 2.092 0.020 A 40 PRO CA C 13 63.070 0.200 A 40 PRO CB C 13 32.271 0.200 A 40 PRO CD C 13 50.869 0.200 A 40 PRO CG C 13 27.458 0.200 A 41 GLN H H 1 8.580 0.020 A 41 GLN HA H 1 4.462 0.020 A 41 GLN HBy H 1 2.192 0.020 A 41 GLN HBx H 1 2.071 0.020 A 41 GLN HE2y H 1 7.423 0.020 A 41 GLN HE2x H 1 6.875 0.020 A 41 GLN HGx H 1 2.469 0.020 A 41 GLN HGy H 1 2.469 0.020 A 41 GLN CA C 13 56.105 0.200 A 41 GLN CB C 13 30.026 0.200 A 41 GLN CG C 13 34.225 0.200 A 41 GLN N N 15 121.227 0.200 A 41 GLN NE2 N 15 112.086 0.200 A 42 ARG H H 1 8.748 0.020 A 42 ARG HA H 1 4.661 0.020 A 42 ARG HBy H 1 2.029 0.020 A 42 ARG HBx H 1 1.902 0.020 A 42 ARG HDx H 1 3.251 0.020 A 42 ARG HDy H 1 3.251 0.020 A 42 ARG HE H 1 7.535 0.020 A 42 ARG HGx H 1 1.767 0.020 A 42 ARG HGy H 1 1.767 0.020 A 42 ARG CB C 13 32.028 0.200 A 42 ARG CD C 13 43.553 0.200 A 42 ARG CG C 13 27.432 0.200 A 42 ARG N N 15 122.529 0.200 A 42 ARG NE N 15 84.880 0.200 A 43 GLY H H 1 8.685 0.020 A 43 GLY HAy H 1 4.666 0.020 A 43 GLY HAx H 1 4.315 0.020 A 43 GLY CA C 13 45.479 0.200 A 43 GLY N N 15 111.293 0.200 A 44 ILE H H 1 8.020 0.020 A 44 ILE HA H 1 3.663 0.020 A 44 ILE HB H 1 0.651 0.020 A 44 ILE HD1% H 1 0.516 0.020 A 44 ILE HG1x H 1 0.882 0.020 A 44 ILE HG1y H 1 1.035 0.020 A 44 ILE HG2% H 1 0.813 0.020 A 44 ILE CA C 13 63.096 0.200 A 44 ILE CB C 13 37.201 0.200 A 44 ILE CD1 C 13 15.486 0.200 A 44 ILE CG1 C 13 29.722 0.200 A 44 ILE CG2 C 13 18.281 0.200 A 44 ILE N N 15 121.139 0.200 A 45 VAL H H 1 8.298 0.020 A 45 VAL HA H 1 3.474 0.020 A 45 VAL HB H 1 1.952 0.020 A 45 VAL HGx% H 1 1.030 0.020 A 45 VAL HGy% H 1 0.655 0.020 A 45 VAL CA C 13 66.689 0.200 A 45 VAL CB C 13 31.298 0.200 A 45 VAL CGy C 13 23.026 0.200 A 45 VAL CGx C 13 21.504 0.200 A 45 VAL N N 15 123.855 0.200 A 46 GLU H H 1 8.140 0.020 A 46 GLU HA H 1 3.973 0.020 A 46 GLU HBy H 1 2.355 0.020 A 46 GLU HBx H 1 2.133 0.020 A 46 GLU HGy H 1 2.542 0.020 A 46 GLU HGx H 1 2.403 0.020 A 46 GLU CA C 13 60.330 0.200 A 46 GLU CB C 13 29.310 0.200 A 46 GLU CG C 13 37.167 0.200 A 46 GLU N N 15 121.258 0.200 A 47 GLU H H 1 7.588 0.020 A 47 GLU HA H 1 4.372 0.020 A 47 GLU HBy H 1 2.181 0.020 A 47 GLU HBx H 1 1.980 0.020 A 47 GLU HGy H 1 2.578 0.020 A 47 GLU HGx H 1 2.344 0.020 A 47 GLU CA C 13 58.478 0.200 A 47 GLU CB C 13 31.394 0.200 A 47 GLU CG C 13 36.176 0.200 A 47 GLU N N 15 113.473 0.200 A 48 CYS H H 1 8.198 0.020 A 48 CYS HA H 1 5.144 0.020 A 48 CYS HBy H 1 3.245 0.020 A 48 CYS HBx H 1 2.921 0.020 A 48 CYS CB C 13 45.084 0.200 A 48 CYS N N 15 109.814 0.200 A 49 CYS H H 1 8.246 0.020 A 49 CYS HA H 1 4.818 0.020 A 49 CYS HBy H 1 3.751 0.020 A 49 CYS HBx H 1 3.207 0.020 A 49 CYS CB C 13 39.309 0.200 A 49 CYS N N 15 117.223 0.200 A 50 PHE H H 1 7.902 0.020 A 50 PHE HA H 1 4.787 0.020 A 50 PHE HBy H 1 3.577 0.020 A 50 PHE HBx H 1 3.352 0.020 A 50 PHE HDx H 1 7.298 0.020 A 50 PHE HDy H 1 7.298 0.020 A 50 PHE HEx H 1 7.431 0.020 A 50 PHE HEy H 1 7.431 0.020 A 50 PHE HZ H 1 7.361 0.020 A 50 PHE CB C 13 37.961 0.200 A 50 PHE CDx C 13 130.646 0.200 A 50 PHE CEx C 13 131.742 0.200 A 50 PHE CZ C 13 129.876 0.200 A 50 PHE N N 15 116.875 0.200 A 51 ARG H H 1 7.541 0.020 A 51 ARG HA H 1 4.484 0.020 A 51 ARG HBy H 1 2.046 0.020 A 51 ARG HBx H 1 1.935 0.020 A 51 ARG HDx H 1 3.352 0.020 A 51 ARG HDy H 1 3.352 0.020 A 51 ARG HE H 1 7.405 0.020 A 51 ARG HGy H 1 1.838 0.020 A 51 ARG HGx H 1 1.767 0.020 A 51 ARG CB C 13 32.428 0.200 A 51 ARG CD C 13 44.012 0.200 A 51 ARG CG C 13 26.976 0.200 A 51 ARG N N 15 117.940 0.200 A 51 ARG NE N 15 85.704 0.200 A 52 SER H H 1 7.772 0.020 A 52 SER HA H 1 4.914 0.020 A 52 SER HBx H 1 3.930 0.020 A 52 SER HBy H 1 3.930 0.020 A 52 SER CB C 13 64.774 0.200 A 52 SER N N 15 110.835 0.200 A 53 CYS H H 1 9.668 0.020 A 53 CYS HA H 1 5.315 0.020 A 53 CYS HBy H 1 3.792 0.020 A 53 CYS HBx H 1 3.421 0.020 A 53 CYS CA C 13 53.199 0.200 A 53 CYS CB C 13 47.474 0.200 A 53 CYS N N 15 120.465 0.200 A 54 ASP H H 1 7.506 0.020 A 54 ASP HA H 1 4.614 0.020 A 54 ASP HBy H 1 3.167 0.020 A 54 ASP HBx H 1 2.609 0.020 A 54 ASP CB C 13 42.781 0.200 A 54 ASP N N 15 115.680 0.200 A 55 LEU H H 1 7.343 0.020 A 55 LEU HA H 1 4.194 0.020 A 55 LEU HBy H 1 2.167 0.020 A 55 LEU HBx H 1 1.343 0.020 A 55 LEU HDx% H 1 1.077 0.020 A 55 LEU HDy% H 1 1.298 0.020 A 55 LEU HG H 1 2.279 0.020 A 55 LEU CA C 13 58.259 0.200 A 55 LEU CB C 13 42.809 0.200 A 55 LEU CDx C 13 22.969 0.200 A 55 LEU CDy C 13 27.242 0.200 A 55 LEU CG C 13 27.156 0.200 A 55 LEU N N 15 117.043 0.200 A 56 ALA H H 1 8.476 0.020 A 56 ALA HA H 1 4.070 0.020 A 56 ALA HB% H 1 1.504 0.020 A 56 ALA CA C 13 55.308 0.200 A 56 ALA CB C 13 17.620 0.200 A 56 ALA N N 15 120.406 0.200 A 57 LEU H H 1 8.020 0.020 A 57 LEU HA H 1 4.415 0.020 A 57 LEU HBy H 1 2.101 0.020 A 57 LEU HBx H 1 2.035 0.020 A 57 LEU HDx% H 1 1.160 0.020 A 57 LEU HDy% H 1 1.160 0.020 A 57 LEU HG H 1 1.960 0.020 A 57 LEU CA C 13 57.907 0.200 A 57 LEU CB C 13 41.611 0.200 A 57 LEU CDx C 13 25.274 0.200 A 57 LEU CG C 13 28.107 0.200 A 57 LEU N N 15 120.580 0.200 A 58 LEU H H 1 8.330 0.020 A 58 LEU HA H 1 4.003 0.020 A 58 LEU HBy H 1 2.101 0.020 A 58 LEU HBx H 1 1.640 0.020 A 58 LEU HDx% H 1 0.817 0.020 A 58 LEU HDy% H 1 0.875 0.020 A 58 LEU HG H 1 1.851 0.020 A 58 LEU CA C 13 60.222 0.200 A 58 LEU CB C 13 42.183 0.200 A 58 LEU CDx C 13 26.446 0.200 A 58 LEU CDy C 13 27.770 0.200 A 58 LEU CG C 13 27.684 0.200 A 58 LEU N N 15 123.888 0.200 A 59 GLU H H 1 8.030 0.020 A 59 GLU HA H 1 4.463 0.020 A 59 GLU HBy H 1 2.255 0.020 A 59 GLU HBx H 1 2.074 0.020 A 59 GLU HGy H 1 2.618 0.020 A 59 GLU HGx H 1 2.386 0.020 A 59 GLU CB C 13 29.556 0.200 A 59 GLU CG C 13 36.519 0.200 A 59 GLU N N 15 115.700 0.200 A 60 THR H H 1 8.039 0.020 A 60 THR HA H 1 4.402 0.020 A 60 THR HB H 1 4.419 0.020 A 60 THR HG2% H 1 1.598 0.020 A 60 THR CA C 13 64.558 0.200 A 60 THR CB C 13 69.782 0.200 A 60 THR CG2 C 13 21.714 0.200 A 60 THR N N 15 110.627 0.200 A 61 TYR H H 1 8.281 0.020 A 61 TYR HA H 1 4.393 0.020 A 61 TYR HBy H 1 3.981 0.020 A 61 TYR HBx H 1 3.110 0.020 A 61 TYR HDx H 1 7.385 0.020 A 61 TYR HDy H 1 7.385 0.020 A 61 TYR HEx H 1 6.648 0.020 A 61 TYR HEy H 1 6.648 0.020 A 61 TYR CB C 13 36.895 0.200 A 61 TYR CDx C 13 134.317 0.200 A 61 TYR CEx C 13 117.170 0.200 A 61 TYR N N 15 120.839 0.200 A 62 CYS H H 1 7.614 0.020 A 62 CYS HA H 1 5.332 0.020 A 62 CYS HBy H 1 3.241 0.020 A 62 CYS HBx H 1 2.906 0.020 A 62 CYS CA C 13 53.190 0.200 A 62 CYS CB C 13 34.459 0.200 A 62 CYS N N 15 116.527 0.200 A 63 ALA H H 1 8.218 0.020 A 63 ALA HA H 1 4.279 0.020 A 63 ALA HB% H 1 1.226 0.020 A 63 ALA CA C 13 53.102 0.200 A 63 ALA CB C 13 18.732 0.200 A 63 ALA N N 15 125.653 0.200 A 64 THR H H 1 7.792 0.020 A 64 THR HA H 1 4.794 0.020 A 64 THR HB H 1 4.293 0.020 A 64 THR HG2% H 1 1.379 0.020 A 64 THR CB C 13 70.234 0.200 A 64 THR CG2 C 13 21.775 0.200 A 64 THR N N 15 112.541 0.200 A 65 PRO HA H 1 4.555 0.020 A 65 PRO HBy H 1 2.419 0.020 A 65 PRO HBx H 1 2.035 0.020 A 65 PRO HDy H 1 3.905 0.020 A 65 PRO HDx H 1 3.853 0.020 A 65 PRO HGy H 1 2.156 0.020 A 65 PRO HGx H 1 2.083 0.020 A 65 PRO CB C 13 32.262 0.200 A 65 PRO CD C 13 51.161 0.200 A 65 PRO CG C 13 27.465 0.200 A 66 ALA H H 1 8.502 0.020 A 66 ALA HA H 1 4.351 0.020 A 66 ALA HB% H 1 1.489 0.020 A 66 ALA CA C 13 52.547 0.200 A 66 ALA CB C 13 19.436 0.200 A 66 ALA N N 15 124.372 0.200 A 67 LYS H H 1 8.352 0.020 A 67 LYS HA H 1 4.466 0.020 A 67 LYS HBy H 1 1.958 0.020 A 67 LYS HBx H 1 1.871 0.020 A 67 LYS HDx H 1 1.796 0.020 A 67 LYS HDy H 1 1.796 0.020 A 67 LYS HEx H 1 3.100 0.020 A 67 LYS HEy H 1 3.100 0.020 A 67 LYS HGx H 1 1.536 0.020 A 67 LYS HGy H 1 1.536 0.020 A 67 LYS CA C 13 56.333 0.200 A 67 LYS CB C 13 33.484 0.200 A 67 LYS CD C 13 29.256 0.200 A 67 LYS CE C 13 42.255 0.200 A 67 LYS CG C 13 24.697 0.200 A 67 LYS N N 15 120.707 0.200 A 68 SER H H 1 8.457 0.020 A 68 SER HA H 1 4.574 0.020 A 68 SER HBx H 1 3.965 0.020 A 68 SER HBy H 1 3.965 0.020 A 68 SER CB C 13 64.062 0.200 A 68 SER N N 15 118.189 0.200 A 69 GLU H H 1 8.064 0.020 A 69 GLU HA H 1 4.280 0.020 A 69 GLU HBy H 1 2.183 0.020 A 69 GLU HBx H 1 1.998 0.020 A 69 GLU HGx H 1 2.336 0.020 A 69 GLU HGy H 1 2.336 0.020 A 69 GLU CA C 13 57.873 0.200 A 69 GLU CB C 13 30.982 0.200 A 69 GLU N N 15 127.397 0.200 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 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 13 LEU H A 13 LEU HBx 1.0 0.0 3.98 2 2 A 19 PHE H A 19 PHE HBx 1.0 0.0 3.64 3 3 A 19 PHE H A 19 PHE HBy 1.0 0.0 3.64 4 4 A 34 ARG H A 34 ARG HBy 1.0 0.0 3.77 5 5 A 34 ARG H A 34 ARG HBx 1.0 0.0 3.77 6 6 A 34 ARG H A 34 ARG HGx 1.0 0.0 4.28 7 6 A 34 ARG H A 34 ARG HGy 1.0 0.0 4.28 8 7 A 34 ARG H A 33 SER HBy 1.0 0.0 4.81 9 8 A 34 ARG H A 33 SER HBx 1.0 0.0 4.81 10 9 A 34 ARG H A 33 SER HA 1.0 0.0 3.15 11 10 A 34 ARG HA A 35 VAL H 1.0 0.0 3.17 12 11 A 35 VAL HA A 36 SER H 1.0 0.0 2.89 13 12 A 36 SER H A 36 SER HBx 1.0 0.0 3.78 14 13 A 36 SER H A 35 VAL HB 1.0 0.0 4.42 15 14 A 36 SER H A 36 SER HBy 1.0 0.0 3.78 16 15 A 37 ARG H A 37 ARG HBy 1.0 0.0 3.80 17 16 A 37 ARG H A 37 ARG HBx 1.0 0.0 3.80 18 17 A 37 ARG H A 37 ARG HGx 1.0 0.0 3.78 19 17 A 37 ARG H A 37 ARG HGy 1.0 0.0 3.78 20 18 A 37 ARG H A 36 SER HA 1.0 0.0 3.18 21 19 A 38 ARG H A 38 ARG HGx 1.0 0.0 3.62 22 19 A 38 ARG H A 38 ARG HGy 1.0 0.0 3.62 23 20 A 38 ARG H A 38 ARG HDx 1.0 0.0 4.81 24 20 A 38 ARG H A 38 ARG HDy 1.0 0.0 4.81 25 21 A 38 ARG H A 37 ARG HA 1.0 0.0 3.29 26 22 A 40 PRO HA A 41 GLN H 1.0 0.0 2.87 27 23 A 24 ARG H A 25 GLY H 1.0 0.0 3.65 28 24 A 42 ARG H A 41 GLN HBy 1.0 0.0 4.46 29 25 A 42 ARG H A 42 ARG HBy 1.0 0.0 3.81 30 26 A 42 ARG H A 42 ARG HBx 1.0 0.0 3.81 31 27 A 42 ARG H A 42 ARG HGx 1.0 0.0 3.50 32 27 A 42 ARG H A 42 ARG HGy 1.0 0.0 3.50 33 28 A 42 ARG H A 41 GLN HGx 1.0 0.0 4.06 34 28 A 42 ARG H A 41 GLN HGy 1.0 0.0 4.06 35 29 A 42 ARG HA A 43 GLY H 1.0 0.0 3.53 36 30 A 46 GLU H A 46 GLU HGy 1.0 0.0 4.29 37 31 A 47 GLU H A 46 GLU HBy 1.0 0.0 4.29 38 32 A 47 GLU H A 47 GLU HBx 1.0 0.0 4.19 39 33 A 51 ARG H A 50 PHE HBy 1.0 0.0 4.07 40 34 A 51 ARG H A 50 PHE HBx 1.0 0.0 4.07 41 35 A 51 ARG H A 51 ARG HBy 1.0 0.0 3.95 42 36 A 51 ARG H A 51 ARG HBx 1.0 0.0 3.95 43 37 A 51 ARG H A 51 ARG HGx 1.0 0.0 4.53 44 38 A 7 THR H A 6 GLU HBx 1.0 0.0 4.31 45 39 A 7 THR H A 6 GLU HBy 1.0 0.0 4.31 46 40 A 7 THR H A 6 GLU HGx 1.0 0.0 4.12 47 40 A 7 THR H A 6 GLU HGy 1.0 0.0 4.12 48 41 A 6 GLU H A 6 GLU HGx 1.0 0.0 3.32 49 41 A 6 GLU HGy A 6 GLU H 1.0 0.0 3.32 50 42 A 6 GLU H A 6 GLU HBx 1.0 0.0 3.78 51 43 A 30 ARG HE A 30 ARG HGx 1.0 0.0 4.11 52 43 A 30 ARG HGy A 30 ARG HE 1.0 0.0 4.11 53 44 A 30 ARG HE A 61 TYR HE% 1.0 0.0 4.65 54 45 A 16 THR H A 16 THR HG1 1.0 0.0 3.63 55 46 A 6 GLU H A 5 SER HA 1.0 0.0 2.77 56 47 A 13 LEU H A 12 GLU H 1.0 0.0 4.03 57 48 A 21 CYS H A 21 CYS HBx 1.0 0.0 3.95 58 49 A 28 PHE H A 28 PHE HBx 1.0 0.0 4.09 59 50 A 28 PHE H A 27 TYR HBy 1.0 0.0 4.39 60 51 A 46 GLU H A 46 GLU HBy 1.0 0.0 3.67 61 52 A 46 GLU H A 46 GLU HGx 1.0 0.0 4.29 62 53 A 53 CYS H A 52 SER HBx 1.0 0.0 4.32 63 53 A 52 SER HBy A 53 CYS H 1.0 0.0 4.32 64 54 A 53 CYS HA A 54 ASP H 1.0 0.0 3.39 65 55 A 54 ASP H A 53 CYS HBx 1.0 0.0 3.83 66 56 A 54 ASP H A 53 CYS HBy 1.0 0.0 3.83 67 57 A 57 LEU H A 57 LEU HBy 1.0 0.0 3.51 68 58 A 57 LEU H A 57 LEU HBx 1.0 0.0 3.51 69 59 A 59 GLU H A 59 GLU HBx 1.0 0.0 3.42 70 60 A 58 LEU HA A 61 TYR H 1.0 0.0 4.59 71 61 A 62 CYS H A 62 CYS HBx 1.0 0.0 3.91 72 62 A 62 CYS H A 62 CYS HBy 1.0 0.0 3.91 73 63 A 65 PRO HA A 66 ALA H 1.0 0.0 2.77 74 64 A 66 ALA H A 65 PRO HBy 1.0 0.0 3.44 75 65 A 2 TYR H A 2 TYR HBy 1.0 0.0 3.62 76 66 A 2 TYR H A 2 TYR HBx 1.0 0.0 3.62 77 67 A 67 LYS H A 67 LYS HBx 1.0 0.0 3.84 78 68 A 67 LYS H A 66 ALA HB% 1.0 0.0 3.74 79 69 A 67 LYS H A 66 ALA HA 1.0 0.0 2.80 80 70 A 68 SER HA A 69 GLU H 1.0 0.0 3.23 81 71 A 2 TYR H A 1 ALA HB% 1.0 0.0 3.77 82 72 A 2 TYR H A 1 ALA HA 1.0 0.0 2.81 83 73 A 2 TYR HA A 3 ARG H 1.0 0.0 2.65 84 74 A 3 ARG H A 3 ARG HBy 1.0 0.0 3.68 85 75 A 3 ARG H A 3 ARG HBx 1.0 0.0 3.68 86 76 A 2 TYR H A 2 TYR HD% 1.0 0.0 4.07 87 77 A 3 ARG H A 2 TYR HD% 1.0 0.0 4.03 88 78 A 26 PHE HA A 63 ALA H 1.0 0.0 3.63 89 79 A 63 ALA H A 62 CYS HBx 1.0 0.0 4.22 90 80 A 3 ARG H A 2 TYR HBx 1.0 0.0 3.97 91 81 A 3 ARG H A 2 TYR HBy 1.0 0.0 3.97 92 82 A 63 ALA H A 62 CYS HBy 1.0 0.0 4.22 93 83 A 3 ARG H A 4 PRO HDx 1.0 0.0 5.31 94 84 A 3 ARG H A 4 PRO HDy 1.0 0.0 5.31 95 85 A 4 PRO HBy A 5 SER H 1.0 0.0 3.47 96 86 A 5 SER H A 6 GLU HGx 1.0 0.0 4.95 97 86 A 6 GLU HGy A 5 SER H 1.0 0.0 4.95 98 87 A 5 SER H A 5 SER HBx 1.0 0.0 3.30 99 87 A 5 SER H A 5 SER HBy 1.0 0.0 3.30 100 88 A 6 GLU H A 5 SER H 1.0 0.0 3.80 101 89 A 5 SER H A 3 ARG HBy 1.0 0.0 4.69 102 90 A 5 SER H A 3 ARG HBx 1.0 0.0 4.69 103 91 A 7 THR H A 6 GLU H 1.0 0.0 3.35 104 92 A 7 THR H A 7 THR HG2% 1.0 0.0 3.27 105 93 A 7 THR H A 8 LEU H 1.0 0.0 4.70 106 94 A 8 LEU H A 49 CYS HA 1.0 0.0 5.50 107 95 A 9 CYS H A 9 CYS HBy 1.0 0.0 4.12 108 96 A 9 CYS H A 9 CYS HBx 1.0 0.0 4.12 109 97 A 9 CYS H A 8 LEU HBy 1.0 0.0 4.47 110 98 A 12 GLU H A 11 GLY H 1.0 0.0 4.02 111 99 A 12 GLU H A 12 GLU HGy 1.0 0.0 4.71 112 100 A 12 GLU H A 12 GLU HGx 1.0 0.0 4.71 113 101 A 13 LEU H A 13 LEU HBy 1.0 0.0 3.98 114 102 A 13 LEU H A 14 VAL HGy% 1.0 0.0 4.47 115 103 A 13 LEU H A 14 VAL H 1.0 0.0 3.87 116 104 A 14 VAL H A 15 ASP H 1.0 0.0 3.88 117 105 A 15 ASP H A 12 GLU HA 1.0 0.0 4.52 118 106 A 15 ASP H A 15 ASP HBx 1.0 0.0 4.18 119 107 A 15 ASP H A 15 ASP HBy 1.0 0.0 4.18 120 108 A 16 THR H A 15 ASP H 1.0 0.0 4.03 121 109 A 38 ARG H A 39 SER H 1.0 0.0 3.38 122 110 A 16 THR H A 16 THR HB 1.0 0.0 3.80 123 111 A 16 THR H A 15 ASP HBx 1.0 0.0 4.85 124 112 A 39 SER H A 38 ARG HBy 1.0 0.0 5.06 125 113 A 39 SER H A 38 ARG HBx 1.0 0.0 5.06 126 114 A 39 SER H A 38 ARG HGx 1.0 0.0 4.60 127 114 A 38 ARG HGy A 39 SER H 1.0 0.0 4.60 128 115 A 16 THR H A 17 LEU HBy 1.0 0.0 4.93 129 116 A 16 THR HG1 A 17 LEU H 1.0 0.0 5.03 130 117 A 16 THR HB A 17 LEU H 1.0 0.0 4.25 131 118 A 17 LEU HBy A 17 LEU H 1.0 0.0 3.56 132 119 A 17 LEU H A 17 LEU HDy% 1.0 0.0 4.12 133 120 A 17 LEU HDx% A 18 GLN H 1.0 0.0 4.57 134 121 A 17 LEU HDy% A 18 GLN H 1.0 0.0 5.00 135 122 A 17 LEU HBy A 18 GLN H 1.0 0.0 3.87 136 123 A 18 GLN H A 18 GLN HGx 1.0 0.0 3.87 137 124 A 18 GLN H A 18 GLN HBy 1.0 0.0 3.60 138 125 A 18 GLN H A 14 VAL HA 1.0 0.0 4.51 139 126 A 19 PHE H A 20 VAL H 1.0 0.0 3.89 140 127 A 19 PHE H A 18 GLN H 1.0 0.0 3.78 141 128 A 19 PHE H A 19 PHE HD% 1.0 0.0 4.51 142 129 A 19 PHE H A 18 GLN HBy 1.0 0.0 4.00 143 130 A 19 PHE H A 18 GLN HBx 1.0 0.0 4.00 144 131 A 20 VAL H A 19 PHE HBx 1.0 0.0 4.31 145 132 A 20 VAL H A 19 PHE HBy 1.0 0.0 4.31 146 133 A 21 CYS H A 22 GLY H 1.0 0.0 4.15 147 134 A 21 CYS H A 18 GLN HA 1.0 0.0 4.73 148 135 A 21 CYS H A 21 CYS HBy 1.0 0.0 3.95 149 136 A 21 CYS H A 17 LEU HA 1.0 0.0 4.60 150 137 A 21 CYS H A 19 PHE HA 1.0 0.0 4.96 151 138 A 21 CYS H A 20 VAL HB 1.0 0.0 4.40 152 139 A 21 CYS H A 20 VAL HGy% 1.0 0.0 3.96 153 140 A 22 GLY H A 21 CYS HBy 1.0 0.0 4.82 154 141 A 23 ASP H A 23 ASP HBx 1.0 0.0 3.95 155 142 A 23 ASP H A 23 ASP HBy 1.0 0.0 3.95 156 143 A 22 GLY H A 23 ASP H 1.0 0.0 4.40 157 144 A 24 ARG H A 23 ASP H 1.0 0.0 3.83 158 145 A 24 ARG H A 24 ARG HE 1.0 0.0 4.93 159 146 A 24 ARG H A 24 ARG HDx 1.0 0.0 4.17 160 146 A 24 ARG H A 24 ARG HDy 1.0 0.0 4.17 161 147 A 24 ARG H A 23 ASP HBy 1.0 0.0 4.67 162 148 A 24 ARG H A 23 ASP HBx 1.0 0.0 4.67 163 149 A 24 ARG H A 24 ARG HGy 1.0 0.0 3.87 164 150 A 24 ARG H A 24 ARG HBx 1.0 0.0 3.85 165 151 A 24 ARG H A 24 ARG HBy 1.0 0.0 3.85 166 152 A 25 GLY H A 26 PHE H 1.0 0.0 4.51 167 153 A 25 GLY H A 63 ALA HB% 1.0 0.0 4.63 168 154 A 26 PHE H A 27 TYR H 1.0 0.0 4.58 169 155 A 26 PHE H A 25 GLY HAy 1.0 0.0 3.46 170 156 A 26 PHE H A 25 GLY HAx 1.0 0.0 3.46 171 157 A 63 ALA H A 27 TYR H 1.0 0.0 4.65 172 158 A 27 TYR H A 26 PHE HBy 1.0 0.0 4.20 173 159 A 27 TYR H A 26 PHE HBx 1.0 0.0 4.20 174 160 A 28 PHE H A 28 PHE HD% 1.0 0.0 4.31 175 161 A 28 PHE H A 27 TYR HA 1.0 0.0 3.51 176 162 A 28 PHE H A 28 PHE HBy 1.0 0.0 4.09 177 163 A 28 PHE H A 29 SER H 1.0 0.0 3.70 178 164 A 29 SER H A 29 SER HBy 1.0 0.0 4.10 179 165 A 29 SER H A 27 TYR HBy 1.0 0.0 4.47 180 166 A 29 SER H A 28 PHE HBy 1.0 0.0 4.48 181 167 A 29 SER H A 28 PHE HBx 1.0 0.0 4.48 182 168 A 30 ARG H A 29 SER HBy 1.0 0.0 4.36 183 169 A 66 ALA H A 65 PRO HBx 1.0 0.0 3.45 184 170 A 32 ALA H A 31 PRO HBx 1.0 0.0 3.93 185 171 A 32 ALA H A 31 PRO HA 1.0 0.0 2.83 186 172 A 32 ALA HB% A 33 SER H 1.0 0.0 3.36 187 173 A 33 SER H A 33 SER HBy 1.0 0.0 3.83 188 174 A 33 SER H A 33 SER HBx 1.0 0.0 3.83 189 175 A 32 ALA H A 33 SER H 1.0 0.0 3.47 190 176 A 34 ARG H A 32 ALA HB% 1.0 0.0 5.50 191 177 A 34 ARG H A 35 VAL H 1.0 0.0 3.64 192 178 A 34 ARG H A 33 SER H 1.0 0.0 4.86 193 179 A 35 VAL H A 36 SER H 1.0 0.0 4.30 194 180 A 35 VAL H A 35 VAL HB 1.0 0.0 3.93 195 181 A 35 VAL H A 34 ARG HBy 1.0 0.0 4.89 196 182 A 35 VAL H A 34 ARG HBx 1.0 0.0 4.89 197 183 A 35 VAL H A 34 ARG HGx 1.0 0.0 4.68 198 183 A 34 ARG HGy A 35 VAL H 1.0 0.0 4.68 199 184 A 35 VAL H A 35 VAL HGy% 1.0 0.0 3.13 200 185 A 36 SER H A 37 ARG H 1.0 0.0 4.42 201 186 A 37 ARG H A 36 SER HBy 1.0 0.0 4.77 202 187 A 37 ARG H A 36 SER HBx 1.0 0.0 4.77 203 188 A 41 GLN H A 41 GLN HBx 1.0 0.0 3.88 204 189 A 29 SER H A 30 ARG H 1.0 0.0 4.63 205 190 A 41 GLN H A 42 ARG H 1.0 0.0 4.57 206 191 A 43 GLY H A 42 ARG HBy 1.0 0.0 3.97 207 192 A 43 GLY H A 44 ILE H 1.0 0.0 4.63 208 193 A 43 GLY H A 46 GLU H 1.0 0.0 4.57 209 194 A 44 ILE H A 44 ILE HB 1.0 0.0 4.07 210 195 A 57 LEU H A 57 LEU HDx% 1.0 0.0 3.70 211 195 A 57 LEU H A 57 LEU HDy% 1.0 0.0 3.70 212 196 A 44 ILE HB A 45 VAL H 1.0 0.0 4.49 213 197 A 57 LEU H A 58 LEU H 1.0 0.0 3.59 214 198 A 58 LEU H A 55 LEU HA 1.0 0.0 4.48 215 199 A 58 LEU H A 58 LEU HBy 1.0 0.0 3.75 216 200 A 58 LEU H A 58 LEU HDy% 1.0 0.0 4.78 217 201 A 46 GLU H A 45 VAL H 1.0 0.0 3.64 218 202 A 46 GLU H A 47 GLU H 1.0 0.0 3.95 219 203 A 47 GLU H A 48 CYS H 1.0 0.0 4.05 220 204 A 49 CYS H A 45 VAL HGy% 1.0 0.0 5.50 221 205 A 7 THR HG2% A 49 CYS H 1.0 0.0 5.50 222 206 A 49 CYS H A 45 VAL HGx% 1.0 0.0 5.50 223 207 A 51 ARG H A 49 CYS H 1.0 0.0 4.60 224 208 A 49 CYS H A 50 PHE H 1.0 0.0 3.60 225 209 A 50 PHE H A 46 GLU HA 1.0 0.0 4.12 226 210 A 50 PHE H A 49 CYS HBy 1.0 0.0 4.39 227 211 A 50 PHE H A 50 PHE HBy 1.0 0.0 4.07 228 212 A 50 PHE H A 50 PHE HBx 1.0 0.0 4.07 229 213 A 50 PHE H A 49 CYS HBx 1.0 0.0 4.39 230 214 A 51 ARG H A 46 GLU HA 1.0 0.0 4.49 231 215 A 51 ARG H A 50 PHE H 1.0 0.0 3.38 232 216 A 51 ARG H A 52 SER H 1.0 0.0 4.66 233 217 A 52 SER H A 51 ARG HA 1.0 0.0 3.12 234 218 A 52 SER H A 52 SER HBx 1.0 0.0 3.14 235 218 A 52 SER HBy A 52 SER H 1.0 0.0 3.14 236 219 A 52 SER H A 51 ARG HDx 1.0 0.0 4.33 237 219 A 52 SER H A 51 ARG HDy 1.0 0.0 4.33 238 220 A 52 SER H A 51 ARG HBy 1.0 0.0 3.78 239 221 A 54 ASP H A 58 LEU H 1.0 0.0 4.62 240 222 A 54 ASP H A 57 LEU H 1.0 0.0 4.28 241 223 A 55 LEU H A 55 LEU HG 1.0 0.0 4.21 242 224 A 55 LEU H A 54 ASP HBy 1.0 0.0 4.21 243 225 A 57 LEU H A 56 ALA H 1.0 0.0 3.45 244 226 A 55 LEU H A 56 ALA H 1.0 0.0 3.89 245 227 A 56 ALA H A 54 ASP HBy 1.0 0.0 4.49 246 228 A 56 ALA H A 54 ASP HBx 1.0 0.0 4.49 247 229 A 56 ALA H A 55 LEU HBy 1.0 0.0 3.96 248 230 A 59 GLU H A 60 THR HG2% 1.0 0.0 3.98 249 231 A 59 GLU H A 59 GLU HGx 1.0 0.0 4.71 250 232 A 59 GLU H A 59 GLU HGy 1.0 0.0 4.71 251 233 A 59 GLU H A 56 ALA HA 1.0 0.0 4.43 252 234 A 59 GLU H A 58 LEU H 1.0 0.0 3.88 253 235 A 59 GLU HBy A 60 THR H 1.0 0.0 4.53 254 236 A 58 LEU HA A 60 THR H 1.0 0.0 4.62 255 237 A 60 THR H A 61 TYR HD% 1.0 0.0 4.62 256 238 A 61 TYR H A 60 THR H 1.0 0.0 3.80 257 239 A 61 TYR H A 61 TYR HD% 1.0 0.0 3.80 258 240 A 61 TYR H A 62 CYS H 1.0 0.0 3.42 259 241 A 62 CYS H A 60 THR H 1.0 0.0 4.41 260 242 A 62 CYS H A 60 THR HA 1.0 0.0 4.10 261 243 A 62 CYS H A 61 TYR HBy 1.0 0.0 4.63 262 244 A 62 CYS H A 61 TYR HBx 1.0 0.0 4.63 263 245 A 63 ALA H A 64 THR H 1.0 0.0 4.12 264 246 A 64 THR H A 65 PRO HDy 1.0 0.0 5.32 265 247 A 64 THR H A 65 PRO HDx 1.0 0.0 5.32 266 248 A 66 ALA HB% A 68 SER H 1.0 0.0 4.39 267 249 A 68 SER H A 67 LYS HBx 1.0 0.0 4.61 268 250 A 68 SER H A 68 SER HBx 1.0 0.0 3.54 269 250 A 68 SER H A 68 SER HBy 1.0 0.0 3.54 270 251 A 68 SER H A 67 LYS HA 1.0 0.0 3.06 271 252 A 69 GLU H A 68 SER H 1.0 0.0 4.06 272 253 A 69 GLU H A 68 SER HBx 1.0 0.0 4.40 273 253 A 69 GLU H A 68 SER HBy 1.0 0.0 4.40 274 254 A 42 ARG HE A 42 ARG HBy 1.0 0.0 4.74 275 255 A 42 ARG HE A 42 ARG HBx 1.0 0.0 4.74 276 256 A 42 ARG HE A 42 ARG HGx 1.0 0.0 4.14 277 256 A 42 ARG HGy A 42 ARG HE 1.0 0.0 4.14 278 257 A 51 ARG HE A 51 ARG HGy 1.0 0.0 4.16 279 258 A 51 ARG HE A 51 ARG HGx 1.0 0.0 4.16 280 259 A 51 ARG HE A 51 ARG HBy 1.0 0.0 4.65 281 260 A 51 ARG HE A 51 ARG HBx 1.0 0.0 4.65 282 261 A 24 ARG HE A 24 ARG HGx 1.0 0.0 4.12 283 262 A 24 ARG HE A 24 ARG HGy 1.0 0.0 4.12 284 263 A 24 ARG HE A 24 ARG HBy 1.0 0.0 4.17 285 264 A 24 ARG HE A 24 ARG HBx 1.0 0.0 4.17 286 265 A 56 ALA H A 55 LEU HDy% 1.0 0.0 4.26 287 266 A 56 ALA H A 55 LEU HBx 1.0 0.0 4.26 288 267 A 54 ASP H A 57 LEU HBx 1.0 0.0 4.45 289 268 A 3 ARG H A 3 ARG HGx 1.0 0.0 3.60 290 268 A 3 ARG H A 3 ARG HGy 1.0 0.0 3.60 291 269 A 29 SER H A 29 SER HBx 1.0 0.0 4.10 292 270 A 30 ARG H A 29 SER HBx 1.0 0.0 4.36 293 271 A 57 LEU H A 57 LEU HG 1.0 0.0 4.53 294 272 A 44 ILE HD1% A 58 LEU HDx% 1.0 0.0 4.10 295 273 A 44 ILE HD1% A 13 LEU HDy% 1.0 0.0 3.62 296 274 A 44 ILE HD1% A 58 LEU HBy 1.0 0.0 4.52 297 275 A 44 ILE HD1% A 58 LEU HG 1.0 0.0 3.29 298 276 A 44 ILE HD1% A 61 TYR HBx 1.0 0.0 4.21 299 277 A 44 ILE HD1% A 28 PHE HA 1.0 0.0 5.39 300 278 A 44 ILE HD1% A 61 TYR HA 1.0 0.0 5.11 301 279 A 16 THR HB A 44 ILE HD1% 1.0 0.0 5.42 302 280 A 58 LEU HA A 44 ILE HD1% 1.0 0.0 3.54 303 281 A 44 ILE HD1% A 61 TYR HBy 1.0 0.0 4.21 304 282 A 44 ILE HD1% A 44 ILE HA 1.0 0.0 3.48 305 283 A 44 ILE HD1% A 45 VAL HA 1.0 0.0 5.50 306 284 A 17 LEU HA A 44 ILE HD1% 1.0 0.0 5.05 307 285 A 44 ILE HD1% A 13 LEU HG 1.0 0.0 4.89 308 286 A 44 ILE HD1% A 13 LEU HDx% 1.0 0.0 3.62 309 287 A 61 TYR HD% A 44 ILE HD1% 1.0 0.0 3.50 310 288 A 47 GLU H A 44 ILE HD1% 1.0 0.0 5.50 311 289 A 62 CYS H A 44 ILE HD1% 1.0 0.0 5.50 312 290 A 44 ILE H A 44 ILE HD1% 1.0 0.0 4.60 313 291 A 58 LEU H A 44 ILE HD1% 1.0 0.0 4.79 314 292 A 48 CYS H A 44 ILE HD1% 1.0 0.0 5.50 315 293 A 55 LEU HBy A 56 ALA HB% 1.0 0.0 5.10 316 294 A 56 ALA HB% A 57 LEU HBy 1.0 0.0 4.53 317 295 A 56 ALA HB% A 57 LEU HBx 1.0 0.0 4.53 318 296 A 56 ALA HB% A 57 LEU HA 1.0 0.0 4.09 319 297 A 55 LEU HA A 56 ALA HB% 1.0 0.0 5.06 320 298 A 57 LEU H A 56 ALA HB% 1.0 0.0 3.06 321 299 A 54 ASP H A 56 ALA HB% 1.0 0.0 5.03 322 300 A 55 LEU H A 56 ALA HB% 1.0 0.0 4.58 323 301 A 58 LEU H A 56 ALA HB% 1.0 0.0 4.93 324 302 A 56 ALA H A 56 ALA HB% 1.0 0.0 2.69 325 303 A 17 LEU HDx% A 44 ILE HG2% 1.0 0.0 3.36 326 304 A 44 ILE HD1% A 44 ILE HG2% 1.0 0.0 3.26 327 305 A 13 LEU HG A 44 ILE HG2% 1.0 0.0 4.63 328 306 A 60 THR HG2% A 56 ALA HA 1.0 0.0 4.74 329 307 A 44 ILE HA A 44 ILE HG2% 1.0 0.0 3.74 330 308 A 28 PHE HA A 44 ILE HG2% 1.0 0.0 3.33 331 309 A 44 ILE HG2% A 29 SER HA 1.0 0.0 5.30 332 310 A 28 PHE HD% A 44 ILE HG2% 1.0 0.0 3.32 333 311 A 44 ILE H A 44 ILE HG2% 1.0 0.0 3.28 334 312 A 46 GLU H A 44 ILE HG2% 1.0 0.0 4.41 335 313 A 45 VAL H A 44 ILE HG2% 1.0 0.0 3.39 336 314 A 63 ALA HB% A 24 ARG HBx 1.0 0.0 5.04 337 315 A 63 ALA HB% A 24 ARG HBy 1.0 0.0 5.04 338 316 A 63 ALA HB% A 26 PHE HBy 1.0 0.0 5.25 339 317 A 63 ALA HB% A 62 CYS HBy 1.0 0.0 5.50 340 318 A 63 ALA HB% A 26 PHE HBx 1.0 0.0 5.25 341 319 A 63 ALA HB% A 62 CYS HBx 1.0 0.0 5.50 342 320 A 63 ALA HB% A 64 THR HA 1.0 0.0 4.25 343 321 A 26 PHE HA A 63 ALA HB% 1.0 0.0 3.53 344 322 A 63 ALA HB% A 27 TYR HE% 1.0 0.0 3.31 345 323 A 63 ALA HB% A 27 TYR HD% 1.0 0.0 3.65 346 324 A 26 PHE H A 63 ALA HB% 1.0 0.0 4.07 347 325 A 63 ALA HB% A 64 THR H 1.0 0.0 3.11 348 326 A 63 ALA H A 63 ALA HB% 1.0 0.0 2.99 349 327 A 63 ALA HB% A 27 TYR H 1.0 0.0 4.76 350 328 A 32 ALA H A 32 ALA HB% 1.0 0.0 2.63 351 329 A 66 ALA H A 66 ALA HB% 1.0 0.0 2.79 352 330 A 35 VAL HGy% A 37 ARG HGx 1.0 0.0 4.82 353 330 A 37 ARG HGy A 35 VAL HGy% 1.0 0.0 4.82 354 331 A 35 VAL HGx% A 37 ARG HGx 1.0 0.0 4.93 355 331 A 37 ARG HGy A 35 VAL HGx% 1.0 0.0 4.93 356 332 A 35 VAL HA A 35 VAL HGy% 1.0 0.0 3.29 357 333 A 34 ARG HA A 35 VAL HGy% 1.0 0.0 4.77 358 334 A 33 SER HA A 35 VAL HGy% 1.0 0.0 4.86 359 335 A 36 SER HA A 35 VAL HGy% 1.0 0.0 5.44 360 336 A 35 VAL HGy% A 33 SER HBy 1.0 0.0 4.63 361 337 A 35 VAL HGy% A 33 SER HBx 1.0 0.0 4.63 362 338 A 36 SER H A 35 VAL HGy% 1.0 0.0 4.34 363 339 A 34 ARG H A 35 VAL HGy% 1.0 0.0 4.40 364 340 A 35 VAL HA A 35 VAL HGx% 1.0 0.0 3.12 365 341 A 34 ARG HA A 35 VAL HGx% 1.0 0.0 4.58 366 342 A 36 SER H A 35 VAL HGx% 1.0 0.0 4.12 367 343 A 34 ARG H A 35 VAL HGx% 1.0 0.0 4.91 368 344 A 35 VAL H A 35 VAL HGx% 1.0 0.0 3.74 369 345 A 20 VAL H A 20 VAL HGy% 1.0 0.0 3.78 370 346 A 59 GLU H A 20 VAL HGy% 1.0 0.0 4.77 371 347 A 17 LEU HA A 20 VAL HGy% 1.0 0.0 4.78 372 348 A 19 PHE HD% A 20 VAL HGy% 1.0 0.0 4.63 373 349 A 46 GLU H A 45 VAL HGy% 1.0 0.0 4.13 374 350 A 45 VAL H A 45 VAL HGy% 1.0 0.0 3.84 375 351 A 20 VAL HB A 16 THR HG2% 1.0 0.0 3.81 376 352 A 16 THR HG2% A 58 LEU HDy% 1.0 0.0 3.39 377 353 A 17 LEU HDx% A 16 THR HG2% 1.0 0.0 4.74 378 354 A 17 LEU HDy% A 16 THR HG2% 1.0 0.0 4.84 379 355 A 16 THR HG2% A 58 LEU HDx% 1.0 0.0 3.39 380 356 A 58 LEU HG A 16 THR HG2% 1.0 0.0 4.62 381 357 A 17 LEU HA A 16 THR HG2% 1.0 0.0 4.57 382 358 A 16 THR HG2% A 16 THR HA 1.0 0.0 3.28 383 359 A 55 LEU HA A 16 THR HG2% 1.0 0.0 4.57 384 360 A 19 PHE HD% A 16 THR HG2% 1.0 0.0 4.25 385 361 A 16 THR H A 16 THR HG2% 1.0 0.0 3.80 386 362 A 17 LEU H A 16 THR HG2% 1.0 0.0 3.89 387 363 A 20 VAL H A 16 THR HG2% 1.0 0.0 4.46 388 364 A 60 THR HG2% A 57 LEU HDx% 1.0 0.0 3.86 389 364 A 57 LEU HDy% A 60 THR HG2% 1.0 0.0 3.86 390 365 A 60 THR HG2% A 59 GLU HBy 1.0 0.0 4.88 391 366 A 59 GLU HBx A 60 THR HG2% 1.0 0.0 3.93 392 367 A 60 THR HG2% A 57 LEU HG 1.0 0.0 3.95 393 368 A 60 THR HG2% A 57 LEU HA 1.0 0.0 2.67 394 369 A 61 TYR HE% A 60 THR HG2% 1.0 0.0 5.50 395 370 A 62 CYS H A 60 THR HG2% 1.0 0.0 5.13 396 371 A 60 THR HG2% A 60 THR H 1.0 0.0 2.93 397 372 A 61 TYR H A 60 THR HG2% 1.0 0.0 4.13 398 373 A 17 LEU HDx% A 14 VAL HGx% 1.0 0.0 4.30 399 374 A 14 VAL HGx% A 18 GLN HGy 1.0 0.0 4.03 400 375 A 18 GLN HA A 14 VAL HGx% 1.0 0.0 5.28 401 376 A 14 VAL HGx% A 15 ASP HA 1.0 0.0 3.99 402 377 A 14 VAL H A 14 VAL HGx% 1.0 0.0 3.77 403 378 A 18 GLN H A 14 VAL HGx% 1.0 0.0 4.08 404 379 A 15 ASP H A 14 VAL HGx% 1.0 0.0 3.72 405 380 A 64 THR HG2% A 65 PRO HDy 1.0 0.0 3.57 406 381 A 64 THR HG2% A 65 PRO HDx 1.0 0.0 3.57 407 382 A 64 THR HA A 64 THR HG2% 1.0 0.0 3.04 408 383 A 64 THR H A 64 THR HG2% 1.0 0.0 3.51 409 384 A 7 THR HG2% A 7 THR HA 1.0 0.0 2.73 410 385 A 7 THR HG2% A 52 SER HA 1.0 0.0 3.65 411 386 A 7 THR HG2% A 49 CYS HA 1.0 0.0 4.03 412 387 A 7 THR HG2% A 52 SER HBx 1.0 0.0 3.59 413 387 A 52 SER HBy A 7 THR HG2% 1.0 0.0 3.59 414 388 A 13 LEU HA A 13 LEU HDy% 1.0 0.0 3.98 415 389 A 13 LEU HDy% A 48 CYS HBy 1.0 0.0 4.40 416 390 A 48 CYS HBx A 13 LEU HDy% 1.0 0.0 4.40 417 391 A 9 CYS HA A 13 LEU HDy% 1.0 0.0 5.47 418 392 A 13 LEU HBy A 13 LEU HDy% 1.0 0.0 3.78 419 393 A 13 LEU HBx A 13 LEU HDy% 1.0 0.0 3.78 420 394 A 17 LEU HG A 13 LEU HDy% 1.0 0.0 4.76 421 395 A 14 VAL H A 13 LEU HDy% 1.0 0.0 4.49 422 396 A 28 PHE HD% A 13 LEU HDy% 1.0 0.0 5.50 423 397 A 28 PHE HZ A 13 LEU HDy% 1.0 0.0 5.50 424 398 A 13 LEU H A 13 LEU HDy% 1.0 0.0 4.41 425 399 A 14 VAL HGy% A 17 LEU HDx% 1.0 0.0 4.06 426 400 A 14 VAL HGy% A 13 LEU HDy% 1.0 0.0 5.03 427 401 A 14 VAL HGy% A 13 LEU HDx% 1.0 0.0 5.03 428 402 A 64 THR HA A 65 PRO HDx 1.0 0.0 3.38 429 403 A 64 THR HA A 65 PRO HDy 1.0 0.0 3.38 430 404 A 14 VAL HGy% A 11 GLY HAy 1.0 0.0 4.47 431 405 A 14 VAL HGy% A 11 GLY HAx 1.0 0.0 4.47 432 406 A 14 VAL HGy% A 26 PHE HE% 1.0 0.0 4.28 433 407 A 14 VAL HGy% A 28 PHE HZ 1.0 0.0 3.16 434 408 A 14 VAL HGy% A 28 PHE HE% 1.0 0.0 3.34 435 409 A 14 VAL HGy% A 14 VAL H 1.0 0.0 2.97 436 410 A 14 VAL HGy% A 15 ASP H 1.0 0.0 3.99 437 411 A 14 VAL HGy% A 17 LEU H 1.0 0.0 5.43 438 412 A 45 VAL HA A 45 VAL HGx% 1.0 0.0 3.23 439 413 A 46 GLU H A 45 VAL HGx% 1.0 0.0 4.13 440 414 A 45 VAL H A 45 VAL HGx% 1.0 0.0 3.84 441 415 A 55 LEU HBy A 55 LEU HDx% 1.0 0.0 3.50 442 416 A 55 LEU HA A 55 LEU HDx% 1.0 0.0 4.25 443 417 A 55 LEU H A 55 LEU HDx% 1.0 0.0 4.00 444 418 A 56 ALA H A 55 LEU HDx% 1.0 0.0 4.26 445 419 A 17 LEU HA A 20 VAL HGx% 1.0 0.0 4.78 446 420 A 64 THR HB A 65 PRO HDy 1.0 0.0 3.83 447 421 A 59 GLU H A 20 VAL HGx% 1.0 0.0 4.77 448 422 A 20 VAL H A 20 VAL HGx% 1.0 0.0 3.78 449 423 A 21 CYS H A 20 VAL HGx% 1.0 0.0 3.96 450 424 A 17 LEU HDy% A 26 PHE HD% 1.0 0.0 3.70 451 425 A 26 PHE HA A 17 LEU HDy% 1.0 0.0 5.04 452 426 A 17 LEU HDy% A 28 PHE HA 1.0 0.0 4.98 453 427 A 17 LEU HDy% A 17 LEU HBx 1.0 0.0 3.31 454 428 A 17 LEU HDy% A 58 LEU HDx% 1.0 0.0 3.68 455 429 A 17 LEU HDy% A 13 LEU HG 1.0 0.0 5.50 456 430 A 17 LEU HDy% A 13 LEU HDy% 1.0 0.0 4.70 457 431 A 17 LEU HDy% A 13 LEU HDx% 1.0 0.0 4.70 458 432 A 17 LEU HDy% A 58 LEU HBx 1.0 0.0 5.47 459 433 A 17 LEU HDy% A 58 LEU HBy 1.0 0.0 5.47 460 434 A 17 LEU HDy% A 58 LEU HG 1.0 0.0 4.23 461 435 A 17 LEU HDy% A 26 PHE HBy 1.0 0.0 3.93 462 436 A 17 LEU HDy% A 61 TYR HBx 1.0 0.0 3.96 463 437 A 17 LEU HDy% A 26 PHE HBx 1.0 0.0 3.93 464 438 A 17 LEU HDy% A 61 TYR HBy 1.0 0.0 3.96 465 439 A 17 LEU HDy% A 26 PHE HE% 1.0 0.0 4.64 466 440 A 17 LEU HDy% A 28 PHE HD% 1.0 0.0 4.89 467 441 A 62 CYS H A 17 LEU HDy% 1.0 0.0 4.98 468 442 A 17 LEU HDy% A 27 TYR H 1.0 0.0 4.65 469 443 A 8 LEU HBy A 8 LEU HDx% 1.0 0.0 3.24 470 444 A 13 LEU HA A 8 LEU HDx% 1.0 0.0 3.88 471 445 A 16 THR HB A 8 LEU HDx% 1.0 0.0 4.05 472 446 A 16 THR HG1 A 8 LEU HDx% 1.0 0.0 3.84 473 447 A 16 THR H A 8 LEU HDx% 1.0 0.0 5.07 474 448 A 8 LEU H A 8 LEU HDx% 1.0 0.0 4.46 475 449 A 67 LYS H A 67 LYS HGx 1.0 0.0 4.33 476 449 A 67 LYS H A 67 LYS HGy 1.0 0.0 4.33 477 450 A 44 ILE HD1% A 57 LEU HDx% 1.0 0.0 3.33 478 450 A 57 LEU HDy% A 44 ILE HD1% 1.0 0.0 3.33 479 451 A 57 LEU HDy% A 47 GLU HGy 1.0 0.0 4.08 480 451 A 47 GLU HGy A 57 LEU HDx% 1.0 0.0 4.08 481 452 A 57 LEU HDy% A 47 GLU HGx 1.0 0.0 4.08 482 452 A 47 GLU HGx A 57 LEU HDx% 1.0 0.0 4.08 483 453 A 57 LEU HDy% A 47 GLU HBy 1.0 0.0 3.79 484 453 A 47 GLU HBy A 57 LEU HDx% 1.0 0.0 3.79 485 454 A 57 LEU HDy% A 57 LEU HBy 1.0 0.0 3.35 486 454 A 57 LEU HBy A 57 LEU HDx% 1.0 0.0 3.35 487 455 A 57 LEU HDy% A 53 CYS HBx 1.0 0.0 3.48 488 455 A 53 CYS HBx A 57 LEU HDx% 1.0 0.0 3.48 489 456 A 57 LEU HDy% A 53 CYS HBy 1.0 0.0 3.48 490 456 A 53 CYS HBy A 57 LEU HDx% 1.0 0.0 3.48 491 457 A 58 LEU HA A 57 LEU HDx% 1.0 0.0 3.63 492 457 A 58 LEU HA A 57 LEU HDy% 1.0 0.0 3.63 493 458 A 53 CYS HA A 57 LEU HDx% 1.0 0.0 3.73 494 458 A 53 CYS HA A 57 LEU HDy% 1.0 0.0 3.73 495 459 A 61 TYR HE% A 57 LEU HDx% 1.0 0.0 3.19 496 459 A 61 TYR HE% A 57 LEU HDy% 1.0 0.0 3.19 497 460 A 61 TYR HD% A 57 LEU HDx% 1.0 0.0 3.70 498 460 A 57 LEU HDy% A 61 TYR HD% 1.0 0.0 3.70 499 461 A 54 ASP H A 57 LEU HDx% 1.0 0.0 3.30 500 461 A 54 ASP H A 57 LEU HDy% 1.0 0.0 3.30 501 462 A 47 GLU H A 57 LEU HDx% 1.0 0.0 4.96 502 462 A 47 GLU H A 57 LEU HDy% 1.0 0.0 4.96 503 463 A 58 LEU H A 57 LEU HDx% 1.0 0.0 3.48 504 463 A 57 LEU HDy% A 58 LEU H 1.0 0.0 3.48 505 464 A 17 LEU HDx% A 17 LEU HBx 1.0 0.0 3.34 506 465 A 17 LEU HDx% A 13 LEU HDx% 1.0 0.0 3.41 507 466 A 17 LEU HDx% A 13 LEU HDy% 1.0 0.0 3.41 508 467 A 17 LEU HDx% A 14 VAL HA 1.0 0.0 3.35 509 468 A 16 THR HB A 17 LEU HDx% 1.0 0.0 4.72 510 469 A 17 LEU HDx% A 28 PHE HA 1.0 0.0 5.25 511 470 A 17 LEU HDx% A 26 PHE HE% 1.0 0.0 4.24 512 471 A 17 LEU HDx% A 28 PHE HZ 1.0 0.0 5.12 513 472 A 17 LEU HDx% A 28 PHE HE% 1.0 0.0 3.96 514 473 A 14 VAL H A 17 LEU HDx% 1.0 0.0 4.66 515 474 A 17 LEU H A 17 LEU HDx% 1.0 0.0 3.47 516 475 A 64 THR HB A 65 PRO HDx 1.0 0.0 3.83 517 476 A 13 LEU HDx% A 48 CYS HBx 1.0 0.0 4.40 518 477 A 13 LEU HDx% A 48 CYS HBy 1.0 0.0 4.40 519 478 A 8 LEU HBx A 8 LEU HDy% 1.0 0.0 3.40 520 479 A 39 SER HA A 40 PRO HDy 1.0 0.0 3.54 521 480 A 9 CYS HA A 13 LEU HDx% 1.0 0.0 5.47 522 481 A 14 VAL H A 13 LEU HDx% 1.0 0.0 4.49 523 482 A 13 LEU H A 13 LEU HDx% 1.0 0.0 4.41 524 483 A 28 PHE HD% A 13 LEU HDx% 1.0 0.0 5.50 525 484 A 28 PHE HZ A 13 LEU HDx% 1.0 0.0 5.50 526 485 A 16 THR HB A 8 LEU HDy% 1.0 0.0 4.05 527 486 A 13 LEU HA A 8 LEU HDy% 1.0 0.0 3.88 528 487 A 8 LEU HA A 8 LEU HDy% 1.0 0.0 3.99 529 488 A 16 THR HG1 A 8 LEU HDy% 1.0 0.0 3.84 530 489 A 8 LEU H A 8 LEU HDy% 1.0 0.0 4.46 531 490 A 16 THR H A 8 LEU HDy% 1.0 0.0 5.07 532 491 A 17 LEU HDx% A 58 LEU HDx% 1.0 0.0 4.34 533 492 A 3 ARG HA A 4 PRO HDx 1.0 0.0 3.00 534 493 A 58 LEU HDx% A 58 LEU HBy 1.0 0.0 3.51 535 494 A 59 GLU HBy A 58 LEU HDx% 1.0 0.0 5.50 536 495 A 17 LEU HA A 58 LEU HDx% 1.0 0.0 4.27 537 496 A 58 LEU HA A 58 LEU HDx% 1.0 0.0 4.17 538 497 A 55 LEU HA A 58 LEU HDx% 1.0 0.0 4.97 539 498 A 59 GLU HA A 58 LEU HDx% 1.0 0.0 4.80 540 499 A 16 THR HB A 58 LEU HDx% 1.0 0.0 4.49 541 500 A 17 LEU H A 58 LEU HDx% 1.0 0.0 4.74 542 501 A 58 LEU H A 58 LEU HDx% 1.0 0.0 4.78 543 502 A 59 GLU H A 58 LEU HDx% 1.0 0.0 4.17 544 503 A 30 ARG HA A 30 ARG HGx 1.0 0.0 3.69 545 503 A 30 ARG HGy A 30 ARG HA 1.0 0.0 3.69 546 504 A 29 SER HA A 30 ARG HGx 1.0 0.0 5.50 547 504 A 30 ARG HGy A 29 SER HA 1.0 0.0 5.50 548 505 A 30 ARG H A 30 ARG HGx 1.0 0.0 3.95 549 505 A 30 ARG HGy A 30 ARG H 1.0 0.0 3.95 550 506 A 61 TYR HD% A 30 ARG HGx 1.0 0.0 5.50 551 506 A 30 ARG HGy A 61 TYR HD% 1.0 0.0 5.50 552 507 A 3 ARG HBy A 4 PRO HDy 1.0 0.0 4.81 553 508 A 4 PRO HDx A 3 ARG HBy 1.0 0.0 4.81 554 509 A 4 PRO HDx A 3 ARG HGx 1.0 0.0 4.24 555 509 A 3 ARG HGy A 4 PRO HDx 1.0 0.0 4.24 556 510 A 24 ARG HA A 24 ARG HGx 1.0 0.0 4.10 557 511 A 24 ARG H A 24 ARG HGx 1.0 0.0 3.87 558 512 A 58 LEU H A 58 LEU HG 1.0 0.0 4.36 559 513 A 51 ARG H A 51 ARG HGy 1.0 0.0 4.53 560 514 A 55 LEU H A 55 LEU HDy% 1.0 0.0 4.00 561 515 A 55 LEU HBy A 55 LEU HDy% 1.0 0.0 3.50 562 516 A 17 LEU HG A 13 LEU HDx% 1.0 0.0 4.76 563 517 A 17 LEU HG A 58 LEU HDx% 1.0 0.0 3.87 564 518 A 14 VAL HA A 17 LEU HG 1.0 0.0 5.08 565 519 A 44 ILE HD1% A 17 LEU HG 1.0 0.0 4.04 566 520 A 17 LEU H A 17 LEU HBx 1.0 0.0 4.12 567 521 A 18 GLN H A 17 LEU HBx 1.0 0.0 4.41 568 522 A 17 LEU H A 17 LEU HG 1.0 0.0 3.92 569 523 A 43 GLY H A 42 ARG HGx 1.0 0.0 4.04 570 523 A 42 ARG HGy A 43 GLY H 1.0 0.0 4.04 571 524 A 42 ARG HA A 42 ARG HGx 1.0 0.0 3.58 572 524 A 42 ARG HGy A 42 ARG HA 1.0 0.0 3.58 573 525 A 38 ARG HDx A 38 ARG HGx 1.0 0.0 2.97 574 525 A 38 ARG HDy A 38 ARG HGx 1.0 0.0 2.97 575 525 A 38 ARG HGy A 38 ARG HDx 1.0 0.0 2.97 576 525 A 38 ARG HGy A 38 ARG HDy 1.0 0.0 2.97 577 526 A 38 ARG HGy A 38 ARG HBy 1.0 0.0 2.77 578 526 A 38 ARG HBy A 38 ARG HGx 1.0 0.0 2.77 579 527 A 66 ALA HB% A 65 PRO HGy 1.0 0.0 5.41 580 528 A 3 ARG HA A 4 PRO HGx 1.0 0.0 4.17 581 528 A 3 ARG HA A 4 PRO HGy 1.0 0.0 4.17 582 529 A 39 SER HA A 40 PRO HGx 1.0 0.0 4.08 583 529 A 39 SER HA A 40 PRO HGy 1.0 0.0 4.08 584 530 A 66 ALA H A 65 PRO HGy 1.0 0.0 4.27 585 531 A 41 GLN H A 40 PRO HGx 1.0 0.0 4.71 586 531 A 41 GLN H A 40 PRO HGy 1.0 0.0 4.71 587 532 A 24 ARG HA A 24 ARG HGy 1.0 0.0 4.10 588 533 A 17 LEU HDx% A 13 LEU HG 1.0 0.0 3.97 589 534 A 14 VAL HA A 13 LEU HG 1.0 0.0 5.50 590 535 A 45 VAL HA A 13 LEU HG 1.0 0.0 5.50 591 536 A 13 LEU HG A 13 LEU HA 1.0 0.0 4.21 592 537 A 13 LEU H A 13 LEU HG 1.0 0.0 4.57 593 538 A 14 VAL H A 13 LEU HG 1.0 0.0 5.17 594 539 A 17 LEU HDy% A 58 LEU HDy% 1.0 0.0 3.68 595 540 A 44 ILE HD1% A 58 LEU HDy% 1.0 0.0 4.10 596 541 A 17 LEU HDx% A 58 LEU HDy% 1.0 0.0 4.34 597 542 A 17 LEU HG A 58 LEU HDy% 1.0 0.0 3.87 598 543 A 59 GLU HBy A 58 LEU HDy% 1.0 0.0 5.50 599 544 A 17 LEU HA A 58 LEU HDy% 1.0 0.0 4.27 600 545 A 55 LEU HA A 58 LEU HDy% 1.0 0.0 4.97 601 546 A 16 THR HB A 58 LEU HDy% 1.0 0.0 4.49 602 547 A 59 GLU HA A 58 LEU HDy% 1.0 0.0 4.80 603 548 A 17 LEU H A 58 LEU HDy% 1.0 0.0 4.74 604 549 A 59 GLU H A 58 LEU HDy% 1.0 0.0 4.17 605 550 A 61 TYR HE% A 57 LEU HG 1.0 0.0 4.27 606 551 A 54 ASP H A 57 LEU HG 1.0 0.0 5.29 607 552 A 58 LEU H A 57 LEU HG 1.0 0.0 4.38 608 553 A 26 PHE HE% A 18 GLN HBx 1.0 0.0 5.50 609 554 A 18 GLN H A 18 GLN HBx 1.0 0.0 3.60 610 555 A 26 PHE HE% A 18 GLN HBy 1.0 0.0 5.50 611 556 A 30 ARG HBx A 31 PRO HDx 1.0 0.0 4.26 612 557 A 12 GLU H A 12 GLU HBy 1.0 0.0 4.02 613 558 A 13 LEU H A 12 GLU HBy 1.0 0.0 4.39 614 559 A 10 GLY H A 9 CYS HBy 1.0 0.0 4.64 615 560 A 12 GLU H A 12 GLU HBx 1.0 0.0 4.02 616 561 A 59 GLU HBx A 60 THR H 1.0 0.0 4.02 617 562 A 13 LEU H A 12 GLU HBx 1.0 0.0 4.39 618 563 A 59 GLU HBx A 56 ALA HA 1.0 0.0 4.57 619 564 A 59 GLU HBy A 56 ALA HB% 1.0 0.0 5.43 620 565 A 56 ALA HA A 59 GLU HBy 1.0 0.0 4.20 621 566 A 59 GLU H A 59 GLU HBy 1.0 0.0 3.29 622 567 A 6 GLU H A 6 GLU HBy 1.0 0.0 3.78 623 568 A 10 GLY H A 9 CYS HBx 1.0 0.0 4.64 624 569 A 47 GLU H A 46 GLU HBx 1.0 0.0 4.29 625 570 A 46 GLU H A 46 GLU HBx 1.0 0.0 3.67 626 571 A 44 ILE HA A 44 ILE HG1x 1.0 0.0 4.22 627 572 A 45 VAL H A 44 ILE HG1x 1.0 0.0 5.04 628 573 A 45 VAL H A 44 ILE HG1y 1.0 0.0 5.04 629 574 A 44 ILE H A 44 ILE HG1x 1.0 0.0 4.94 630 575 A 44 ILE H A 44 ILE HG1y 1.0 0.0 4.94 631 576 A 41 GLN H A 41 GLN HBy 1.0 0.0 3.88 632 577 A 38 ARG HGy A 38 ARG HBx 1.0 0.0 2.77 633 577 A 38 ARG HBx A 38 ARG HGx 1.0 0.0 2.77 634 578 A 31 PRO HDx A 30 ARG HBy 1.0 0.0 4.26 635 579 A 30 ARG HBy A 31 PRO HDy 1.0 0.0 4.26 636 580 A 30 ARG HBx A 31 PRO HDy 1.0 0.0 4.26 637 581 A 3 ARG HDy A 3 ARG HBx 1.0 0.0 3.63 638 581 A 3 ARG HBx A 3 ARG HDx 1.0 0.0 3.63 639 582 A 34 ARG HDy A 34 ARG HBx 1.0 0.0 3.14 640 582 A 34 ARG HBx A 34 ARG HDx 1.0 0.0 3.14 641 583 A 3 ARG HBx A 4 PRO HDy 1.0 0.0 4.81 642 584 A 3 ARG HBx A 4 PRO HDx 1.0 0.0 4.81 643 585 A 46 GLU H A 45 VAL HB 1.0 0.0 4.31 644 586 A 45 VAL H A 45 VAL HB 1.0 0.0 3.66 645 587 A 42 ARG HDy A 42 ARG HBx 1.0 0.0 3.51 646 587 A 42 ARG HBx A 42 ARG HDx 1.0 0.0 3.51 647 588 A 42 ARG HDy A 42 ARG HBy 1.0 0.0 3.51 648 588 A 42 ARG HBy A 42 ARG HDx 1.0 0.0 3.51 649 589 A 43 GLY H A 42 ARG HBx 1.0 0.0 3.97 650 590 A 20 VAL H A 20 VAL HB 1.0 0.0 3.40 651 591 A 32 ALA H A 31 PRO HBy 1.0 0.0 3.93 652 592 A 51 ARG HDy A 51 ARG HBx 1.0 0.0 3.62 653 592 A 51 ARG HBx A 51 ARG HDx 1.0 0.0 3.62 654 593 A 52 SER H A 51 ARG HBx 1.0 0.0 3.78 655 594 A 65 PRO HBy A 66 ALA HB% 1.0 0.0 4.25 656 595 A 66 ALA HB% A 65 PRO HBx 1.0 0.0 5.05 657 596 A 5 SER H A 4 PRO HBx 1.0 0.0 4.13 658 597 A 41 GLN HGy A 41 GLN HBy 1.0 0.0 2.97 659 597 A 41 GLN HBy A 41 GLN HGx 1.0 0.0 2.97 660 598 A 41 GLN HGy A 41 GLN HBx 1.0 0.0 2.97 661 598 A 41 GLN HBx A 41 GLN HGx 1.0 0.0 2.97 662 599 A 41 GLN HA A 41 GLN HGx 1.0 0.0 3.52 663 599 A 41 GLN HGy A 41 GLN HA 1.0 0.0 3.52 664 600 A 41 GLN H A 41 GLN HGx 1.0 0.0 4.01 665 600 A 41 GLN H A 41 GLN HGy 1.0 0.0 4.01 666 601 A 41 GLN HE2y A 41 GLN HGx 1.0 0.0 3.81 667 601 A 41 GLN HGy A 41 GLN HE2y 1.0 0.0 3.81 668 602 A 41 GLN HE2x A 41 GLN HGx 1.0 0.0 3.81 669 602 A 41 GLN HGy A 41 GLN HE2x 1.0 0.0 3.81 670 603 A 26 PHE HZ A 18 GLN HGy 1.0 0.0 4.38 671 604 A 18 GLN H A 18 GLN HGy 1.0 0.0 3.87 672 605 A 6 GLU HGy A 6 GLU HBy 1.0 0.0 2.81 673 605 A 6 GLU HBy A 6 GLU HGx 1.0 0.0 2.81 674 606 A 6 GLU HGy A 3 ARG HBy 1.0 0.0 4.55 675 606 A 3 ARG HBy A 6 GLU HGx 1.0 0.0 4.55 676 607 A 26 PHE HZ A 18 GLN HGx 1.0 0.0 4.38 677 608 A 26 PHE HE% A 18 GLN HGx 1.0 0.0 4.16 678 609 A 18 GLN HA A 18 GLN HGx 1.0 0.0 3.97 679 610 A 14 VAL HGx% A 18 GLN HGx 1.0 0.0 4.03 680 611 A 12 GLU HA A 12 GLU HGx 1.0 0.0 4.09 681 612 A 47 GLU HA A 47 GLU HGy 1.0 0.0 4.05 682 613 A 12 GLU HA A 12 GLU HGy 1.0 0.0 4.09 683 614 A 8 LEU HBy A 13 LEU HA 1.0 0.0 4.83 684 615 A 8 LEU HBy A 7 THR HA 1.0 0.0 4.55 685 616 A 47 GLU H A 47 GLU HGy 1.0 0.0 4.81 686 617 A 9 CYS H A 8 LEU HBx 1.0 0.0 4.57 687 618 A 46 GLU HA A 46 GLU HGx 1.0 0.0 3.69 688 619 A 47 GLU H A 46 GLU HGy 1.0 0.0 5.50 689 620 A 50 PHE HD% A 46 GLU HGy 1.0 0.0 4.53 690 621 A 47 GLU H A 46 GLU HGx 1.0 0.0 5.50 691 622 A 44 ILE HB A 44 ILE HD1% 1.0 0.0 3.90 692 623 A 46 GLU HA A 50 PHE HBx 1.0 0.0 4.42 693 624 A 8 LEU HBx A 8 LEU HDx% 1.0 0.0 3.40 694 625 A 14 VAL H A 13 LEU HBx 1.0 0.0 4.78 695 626 A 13 LEU HA A 8 LEU HBx 1.0 0.0 4.75 696 627 A 17 LEU HBy A 17 LEU HDy% 1.0 0.0 3.80 697 628 A 17 LEU HBy A 17 LEU HDx% 1.0 0.0 3.65 698 629 A 17 LEU HBy A 14 VAL HA 1.0 0.0 4.17 699 630 A 55 LEU HA A 58 LEU HBy 1.0 0.0 4.68 700 631 A 61 TYR HE% A 30 ARG HDx 1.0 0.0 4.10 701 631 A 61 TYR HE% A 30 ARG HDy 1.0 0.0 4.10 702 632 A 58 LEU HBy A 58 LEU HDy% 1.0 0.0 3.51 703 633 A 55 LEU HA A 58 LEU HBx 1.0 0.0 4.68 704 634 A 54 ASP H A 57 LEU HBy 1.0 0.0 4.45 705 635 A 29 SER H A 27 TYR HBx 1.0 0.0 4.47 706 636 A 28 PHE H A 27 TYR HBx 1.0 0.0 4.39 707 637 A 12 GLU HA A 15 ASP HBy 1.0 0.0 4.70 708 638 A 44 ILE HD1% A 58 LEU HBx 1.0 0.0 4.52 709 639 A 58 LEU HBx A 58 LEU HDy% 1.0 0.0 3.51 710 640 A 58 LEU H A 58 LEU HBx 1.0 0.0 3.75 711 641 A 55 LEU H A 54 ASP HBx 1.0 0.0 4.21 712 642 A 3 ARG HA A 3 ARG HDx 1.0 0.0 3.98 713 642 A 3 ARG HA A 3 ARG HDy 1.0 0.0 3.98 714 643 A 55 LEU HBy A 59 GLU HBy 1.0 0.0 4.76 715 644 A 34 ARG HA A 34 ARG HDx 1.0 0.0 3.98 716 644 A 34 ARG HA A 34 ARG HDy 1.0 0.0 3.98 717 645 A 20 VAL HB A 55 LEU HBx 1.0 0.0 5.50 718 646 A 34 ARG HDy A 34 ARG HBy 1.0 0.0 3.14 719 646 A 34 ARG HBy A 34 ARG HDx 1.0 0.0 3.14 720 647 A 3 ARG HDy A 3 ARG HBy 1.0 0.0 3.63 721 647 A 3 ARG HBy A 3 ARG HDx 1.0 0.0 3.63 722 648 A 34 ARG HDx A 34 ARG HGx 1.0 0.0 2.56 723 648 A 34 ARG HDy A 34 ARG HGx 1.0 0.0 2.56 724 648 A 34 ARG HGy A 34 ARG HDx 1.0 0.0 2.56 725 648 A 34 ARG HGy A 34 ARG HDy 1.0 0.0 2.56 726 649 A 3 ARG HA A 3 ARG HGx 1.0 0.0 3.40 727 649 A 3 ARG HGy A 3 ARG HA 1.0 0.0 3.40 728 650 A 3 ARG HA A 4 PRO HDy 1.0 0.0 3.00 729 651 A 3 ARG HDy A 3 ARG HGx 1.0 0.0 2.77 730 651 A 3 ARG HGy A 3 ARG HDx 1.0 0.0 2.77 731 651 A 3 ARG HGy A 3 ARG HDy 1.0 0.0 2.77 732 651 A 3 ARG HDx A 3 ARG HGx 1.0 0.0 2.77 733 652 A 3 ARG HGy A 4 PRO HDy 1.0 0.0 4.24 734 652 A 3 ARG HGx A 4 PRO HDy 1.0 0.0 4.24 735 653 A 6 GLU HA A 6 GLU HGx 1.0 0.0 3.27 736 653 A 6 GLU HGy A 6 GLU HA 1.0 0.0 3.27 737 654 A 6 GLU HGy A 6 GLU HBx 1.0 0.0 2.81 738 654 A 6 GLU HBx A 6 GLU HGx 1.0 0.0 2.81 739 655 A 8 LEU HA A 8 LEU HDx% 1.0 0.0 3.99 740 656 A 13 LEU HA A 13 LEU HDx% 1.0 0.0 3.98 741 657 A 13 LEU HDx% A 13 LEU HBy 1.0 0.0 3.78 742 658 A 13 LEU HDx% A 13 LEU HBx 1.0 0.0 3.78 743 659 A 14 VAL HGy% A 14 VAL HA 1.0 0.0 3.03 744 660 A 14 VAL HA A 14 VAL HGx% 1.0 0.0 3.09 745 661 A 16 THR HG1 A 16 THR HG2% 1.0 0.0 3.62 746 662 A 17 LEU HDx% A 17 LEU HA 1.0 0.0 3.90 747 663 A 17 LEU HDy% A 17 LEU HA 1.0 0.0 3.00 748 664 A 18 GLN HA A 18 GLN HGy 1.0 0.0 3.97 749 665 A 19 PHE HD% A 20 VAL HGx% 1.0 0.0 4.63 750 666 A 20 VAL HA A 20 VAL HGy% 1.0 0.0 3.30 751 667 A 24 ARG HA A 24 ARG HDx 1.0 0.0 4.62 752 667 A 24 ARG HDy A 24 ARG HA 1.0 0.0 4.62 753 668 A 14 VAL HGx% A 26 PHE HZ 1.0 0.0 3.35 754 669 A 14 VAL HGx% A 18 GLN HE2x 1.0 0.0 3.96 755 670 A 14 VAL HGx% A 26 PHE HE% 1.0 0.0 4.21 756 671 A 32 ALA HB% A 27 TYR HD% 1.0 0.0 4.74 757 672 A 32 ALA HB% A 27 TYR HE% 1.0 0.0 4.47 758 673 A 14 VAL HGx% A 18 GLN HE2y 1.0 0.0 3.96 759 674 A 30 ARG HA A 30 ARG HDx 1.0 0.0 4.33 760 674 A 30 ARG HA A 30 ARG HDy 1.0 0.0 4.33 761 675 A 30 ARG HDy A 30 ARG HBy 1.0 0.0 3.70 762 675 A 30 ARG HBy A 30 ARG HDx 1.0 0.0 3.70 763 676 A 30 ARG HDy A 30 ARG HBx 1.0 0.0 3.70 764 676 A 30 ARG HBx A 30 ARG HDx 1.0 0.0 3.70 765 677 A 30 ARG HGx A 31 PRO HDy 1.0 0.0 4.25 766 677 A 30 ARG HGy A 31 PRO HDy 1.0 0.0 4.25 767 678 A 31 PRO HDx A 30 ARG HGx 1.0 0.0 4.25 768 678 A 30 ARG HGy A 31 PRO HDx 1.0 0.0 4.25 769 679 A 33 SER HA A 32 ALA HB% 1.0 0.0 4.34 770 680 A 65 PRO HA A 66 ALA HB% 1.0 0.0 4.81 771 681 A 39 SER HA A 40 PRO HDx 1.0 0.0 3.54 772 682 A 44 ILE HA A 44 ILE HG1y 1.0 0.0 4.22 773 683 A 45 VAL HA A 45 VAL HGy% 1.0 0.0 3.23 774 684 A 44 ILE HG2% A 45 VAL HB 1.0 0.0 4.26 775 685 A 46 GLU HA A 46 GLU HGy 1.0 0.0 3.69 776 686 A 55 LEU HA A 55 LEU HDy% 1.0 0.0 4.25 777 687 A 57 LEU HA A 57 LEU HDx% 1.0 0.0 3.35 778 687 A 57 LEU HDy% A 57 LEU HA 1.0 0.0 3.35 779 688 A 57 LEU HG A 57 LEU HA 1.0 0.0 3.51 780 689 A 58 LEU HA A 58 LEU HG 1.0 0.0 3.93 781 690 A 58 LEU HA A 58 LEU HDy% 1.0 0.0 4.17 782 691 A 58 LEU HDx% A 58 LEU HBx 1.0 0.0 3.51 783 692 A 59 GLU HA A 59 GLU HGy 1.0 0.0 3.67 784 693 A 59 GLU HA A 59 GLU HGx 1.0 0.0 3.67 785 694 A 61 TYR HE% A 30 ARG HGx 1.0 0.0 4.52 786 694 A 30 ARG HGy A 61 TYR HE% 1.0 0.0 4.52 787 695 A 61 TYR HE% A 44 ILE HD1% 1.0 0.0 4.11 788 696 A 67 LYS HA A 67 LYS HGx 1.0 0.0 4.00 789 696 A 67 LYS HA A 67 LYS HGy 1.0 0.0 4.00 790 697 A 67 LYS HDy A 67 LYS HGx 1.0 0.0 2.70 791 697 A 67 LYS HDx A 67 LYS HGx 1.0 0.0 2.70 792 697 A 67 LYS HGy A 67 LYS HDx 1.0 0.0 2.70 793 697 A 67 LYS HGy A 67 LYS HDy 1.0 0.0 2.70 794 698 A 13 LEU HA A 8 LEU HG 1.0 0.0 4.64 795 699 A 17 LEU HA A 17 LEU HG 1.0 0.0 3.78 796 700 A 17 LEU HA A 20 VAL HB 1.0 0.0 4.30 797 701 A 20 VAL H A 17 LEU HA 1.0 0.0 4.74 798 702 A 46 GLU HA A 50 PHE HBy 1.0 0.0 4.42 799 703 A 46 GLU HA A 45 VAL HB 1.0 0.0 5.50 800 704 A 58 LEU HA A 57 LEU HG 1.0 0.0 5.50 801 705 A 47 GLU H A 44 ILE HA 1.0 0.0 4.85 802 706 A 61 TYR HD% A 44 ILE HA 1.0 0.0 5.11 803 707 A 61 TYR HE% A 44 ILE HA 1.0 0.0 5.04 804 708 A 20 VAL HA A 20 VAL HGx% 1.0 0.0 3.30 805 709 A 16 THR HG2% A 20 VAL HA 1.0 0.0 5.05 806 710 A 45 VAL HA A 44 ILE HG2% 1.0 0.0 4.44 807 711 A 45 VAL HA A 49 CYS HBx 1.0 0.0 4.45 808 712 A 45 VAL HA A 49 CYS HBy 1.0 0.0 4.45 809 713 A 49 CYS H A 45 VAL HA 1.0 0.0 4.28 810 714 A 17 LEU H A 14 VAL HA 1.0 0.0 4.14 811 715 A 14 VAL HA A 28 PHE HZ 1.0 0.0 5.35 812 716 A 14 VAL HA A 26 PHE HZ 1.0 0.0 5.02 813 717 A 14 VAL HA A 28 PHE HE% 1.0 0.0 5.26 814 718 A 14 VAL HA A 17 LEU HBx 1.0 0.0 4.48 815 719 A 61 TYR HE% A 44 ILE HG2% 1.0 0.0 4.87 816 720 A 61 TYR HE% A 44 ILE HB 1.0 0.0 4.99 817 721 A 61 TYR HE% A 29 SER HA 1.0 0.0 4.90 818 722 A 61 TYR HE% A 58 LEU HA 1.0 0.0 4.98 819 723 A 61 TYR HE% A 44 ILE H 1.0 0.0 4.26 820 724 A 61 TYR HE% A 30 ARG H 1.0 0.0 4.62 821 725 A 61 TYR HE% A 45 VAL H 1.0 0.0 5.50 822 726 A 61 TYR HE% A 61 TYR H 1.0 0.0 5.50 823 727 A 27 TYR HE% A 63 ALA HA 1.0 0.0 3.43 824 728 A 63 ALA H A 27 TYR HE% 1.0 0.0 5.17 825 729 A 19 PHE HA A 19 PHE HE% 1.0 0.0 5.08 826 730 A 50 PHE H A 50 PHE HD% 1.0 0.0 3.98 827 731 A 50 PHE HD% A 50 PHE HA 1.0 0.0 3.40 828 732 A 46 GLU HA A 50 PHE HD% 1.0 0.0 3.66 829 733 A 50 PHE HD% A 46 GLU HGx 1.0 0.0 4.53 830 734 A 20 VAL H A 19 PHE HD% 1.0 0.0 4.64 831 735 A 19 PHE HD% A 16 THR HA 1.0 0.0 4.76 832 736 A 19 PHE HD% A 19 PHE HA 1.0 0.0 4.01 833 737 A 26 PHE HE% A 18 GLN HGy 1.0 0.0 4.16 834 738 A 14 VAL HA A 26 PHE HE% 1.0 0.0 4.67 835 739 A 18 GLN HA A 26 PHE HE% 1.0 0.0 4.09 836 740 A 28 PHE HD% A 28 PHE HA 1.0 0.0 4.31 837 741 A 50 PHE HA A 50 PHE HE% 1.0 0.0 4.78 838 742 A 46 GLU HA A 50 PHE HE% 1.0 0.0 4.47 839 743 A 28 PHE HA A 28 PHE HE% 1.0 0.0 4.77 840 744 A 14 VAL HGy% A 28 PHE HD% 1.0 0.0 4.73 841 745 A 28 PHE HE% A 13 LEU HDx% 1.0 0.0 4.94 842 746 A 44 ILE HG2% A 28 PHE HE% 1.0 0.0 4.31 843 747 A 17 LEU HDx% A 28 PHE HD% 1.0 0.0 4.36 844 748 A 61 TYR HD% A 61 TYR HA 1.0 0.0 4.12 845 749 A 58 LEU HA A 61 TYR HD% 1.0 0.0 4.12 846 750 A 17 LEU HDy% A 61 TYR HD% 1.0 0.0 4.65 847 751 A 61 TYR HD% A 44 ILE HG2% 1.0 0.0 4.70 848 752 A 62 CYS H A 61 TYR HD% 1.0 0.0 5.01 849 753 A 28 PHE H A 27 TYR HD% 1.0 0.0 4.30 850 754 A 27 TYR H A 27 TYR HD% 1.0 0.0 4.16 851 755 A 27 TYR HA A 27 TYR HD% 1.0 0.0 3.80 852 756 A 2 TYR HA A 2 TYR HD% 1.0 0.0 3.83 853 757 A 27 TYR HD% A 63 ALA HA 1.0 0.0 3.92 854 758 A 6 GLU H A 5 SER HBx 1.0 0.0 4.08 855 758 A 6 GLU H A 5 SER HBy 1.0 0.0 4.08 856 759 A 26 PHE H A 26 PHE HD% 1.0 0.0 4.08 857 760 A 27 TYR H A 26 PHE HD% 1.0 0.0 4.29 858 761 A 26 PHE HD% A 26 PHE HZ 1.0 0.0 3.81 859 762 A 26 PHE HA A 26 PHE HD% 1.0 0.0 4.24 860 763 A 27 TYR HA A 26 PHE HD% 1.0 0.0 4.77 861 764 A 18 GLN HA A 26 PHE HD% 1.0 0.0 4.47 862 765 A 14 VAL HGx% A 26 PHE HD% 1.0 0.0 5.50 863 766 A 63 ALA HB% A 26 PHE HD% 1.0 0.0 5.50 864 767 A 17 LEU HBy A 26 PHE HD% 1.0 0.0 4.98 865 768 A 17 LEU HG A 26 PHE HD% 1.0 0.0 5.38 866 769 A 17 LEU HDx% A 26 PHE HD% 1.0 0.0 4.36 867 770 A 26 PHE HD% A 17 LEU HBx 1.0 0.0 4.78 868 771 A 4 PRO HBy A 5 SER HBx 1.0 0.0 4.83 869 771 A 4 PRO HBy A 5 SER HBy 1.0 0.0 4.83 870 772 A 4 PRO HBx A 5 SER HBx 1.0 0.0 5.50 871 772 A 5 SER HBy A 4 PRO HBx 1.0 0.0 5.50 872 773 A 60 THR HG2% A 60 THR HA 1.0 0.0 4.19 873 774 A 55 LEU HG A 56 ALA H 1.0 0.0 4.83 874 775 A 42 ARG H A 42 ARG HDx 1.0 0.0 4.38 875 775 A 42 ARG H A 42 ARG HDy 1.0 0.0 4.38 876 776 A 43 GLY H A 42 ARG HDx 1.0 0.0 4.48 877 776 A 43 GLY H A 42 ARG HDy 1.0 0.0 4.48 878 777 A 8 LEU HBy A 8 LEU HDy% 1.0 0.0 3.24 879 778 A 14 VAL H A 13 LEU HBy 1.0 0.0 4.78 880 779 A 34 ARG HA A 34 ARG HGx 1.0 0.0 3.09 881 779 A 34 ARG HGy A 34 ARG HA 1.0 0.0 3.09 882 780 A 47 GLU HA A 47 GLU HGx 1.0 0.0 4.05 883 781 A 51 ARG HDy A 51 ARG HBy 1.0 0.0 3.62 884 781 A 51 ARG HBy A 51 ARG HDx 1.0 0.0 3.62 885 782 A 57 LEU HDy% A 57 LEU HBx 1.0 0.0 3.35 886 782 A 57 LEU HBx A 57 LEU HDx% 1.0 0.0 3.35 887 783 A 15 ASP H A 14 VAL HB 1.0 0.0 3.72 888 784 A 20 VAL HB A 55 LEU HA 1.0 0.0 4.96 889 785 A 47 GLU H A 47 GLU HGx 1.0 0.0 4.81 890 786 A 7 THR HG2% A 52 SER H 1.0 0.0 4.49 891 787 A 7 THR HG2% A 8 LEU H 1.0 0.0 4.15 892 788 A 6 GLU H A 7 THR HG2% 1.0 0.0 4.84 893 789 A 51 ARG H A 7 THR HG2% 1.0 0.0 4.41 894 790 A 42 ARG H A 41 GLN HBx 1.0 0.0 4.46 895 791 A 14 VAL H A 14 VAL HB 1.0 0.0 3.49 896 792 A 14 VAL HB A 11 GLY HAy 1.0 0.0 4.65 897 793 A 14 VAL HB A 11 GLY HAx 1.0 0.0 4.65 898 794 A 67 LYS H A 67 LYS HBy 1.0 0.0 3.84 899 795 A 68 SER H A 67 LYS HBy 1.0 0.0 4.61 900 796 A 22 GLY H A 21 CYS HBx 1.0 0.0 4.82 901 797 A 12 GLU HA A 15 ASP HBx 1.0 0.0 4.70 902 798 A 16 THR H A 15 ASP HBy 1.0 0.0 4.85 903 799 A 60 THR HG2% A 59 GLU HGy 1.0 0.0 5.50 904 800 A 60 THR HG2% A 59 GLU HGx 1.0 0.0 5.50 905 801 A 6 GLU HGy A 3 ARG HBx 1.0 0.0 4.55 906 801 A 3 ARG HBx A 6 GLU HGx 1.0 0.0 4.55 907 802 A 7 THR HG2% A 6 GLU HGx 1.0 0.0 5.50 908 802 A 6 GLU HGy A 7 THR HG2% 1.0 0.0 5.50 909 803 A 3 ARG HDy A 6 GLU HGx 1.0 0.0 4.73 910 803 A 3 ARG HDx A 6 GLU HGx 1.0 0.0 4.73 911 803 A 6 GLU HGy A 3 ARG HDx 1.0 0.0 4.73 912 803 A 6 GLU HGy A 3 ARG HDy 1.0 0.0 4.73 913 804 A 5 SER HBx A 6 GLU HGx 1.0 0.0 5.09 914 804 A 5 SER HBy A 6 GLU HGx 1.0 0.0 5.09 915 804 A 6 GLU HGy A 5 SER HBx 1.0 0.0 5.09 916 804 A 6 GLU HGy A 5 SER HBy 1.0 0.0 5.09 917 805 A 28 PHE HE% A 13 LEU HDy% 1.0 0.0 4.94 918 806 A 64 THR HA A 65 PRO HGx 1.0 0.0 4.74 919 807 A 66 ALA H A 65 PRO HGx 1.0 0.0 4.79 920 808 A 64 THR HA A 65 PRO HGy 1.0 0.0 4.85 921 809 A 64 THR HB A 65 PRO HGy 1.0 0.0 4.45 922 810 A 64 THR HB A 65 PRO HGx 1.0 0.0 4.85 923 811 A 47 GLU H A 47 GLU HBy 1.0 0.0 4.19 924 812 A 57 LEU HDy% A 47 GLU HBx 1.0 0.0 3.79 925 812 A 47 GLU HBx A 57 LEU HDx% 1.0 0.0 3.79 926 813 A 66 ALA HB% A 68 SER HBx 1.0 0.0 3.95 927 813 A 66 ALA HB% A 68 SER HBy 1.0 0.0 3.95 928 814 A 17 LEU HDy% A 28 PHE HE% 1.0 0.0 4.99 929 815 A 2 TYR H A 2 TYR HBx 1.0 0.0 2.92 930 815 A 2 TYR H A 2 TYR HBy 1.0 0.0 2.92 931 816 A 3 ARG H A 2 TYR HBx 1.0 0.0 3.48 932 816 A 3 ARG H A 2 TYR HBy 1.0 0.0 3.48 933 817 A 3 ARG H A 3 ARG HBy 1.0 0.0 3.01 934 817 A 3 ARG H A 3 ARG HBx 1.0 0.0 3.01 935 818 A 3 ARG H A 4 PRO HDy 1.0 0.0 4.54 936 818 A 3 ARG H A 4 PRO HDx 1.0 0.0 4.54 937 819 A 3 ARG HBx A 3 ARG HDx 1.0 0.0 3.05 938 819 A 3 ARG HBy A 3 ARG HDx 1.0 0.0 3.05 939 819 A 3 ARG HDy A 3 ARG HBy 1.0 0.0 3.05 940 819 A 3 ARG HDy A 3 ARG HBx 1.0 0.0 3.05 941 820 A 3 ARG HBy A 4 PRO HDy 1.0 0.0 3.18 942 820 A 3 ARG HBx A 4 PRO HDy 1.0 0.0 3.18 943 820 A 4 PRO HDx A 3 ARG HBy 1.0 0.0 3.18 944 820 A 3 ARG HBx A 4 PRO HDx 1.0 0.0 3.18 945 821 A 5 SER H A 3 ARG HBy 1.0 0.0 4.00 946 821 A 5 SER H A 3 ARG HBx 1.0 0.0 4.00 947 822 A 3 ARG HBx A 6 GLU HGx 1.0 0.0 3.84 948 822 A 3 ARG HBy A 6 GLU HGx 1.0 0.0 3.84 949 822 A 6 GLU HGy A 3 ARG HBy 1.0 0.0 3.84 950 822 A 6 GLU HGy A 3 ARG HBx 1.0 0.0 3.84 951 823 A 3 ARG HGy A 4 PRO HDy 1.0 0.0 3.71 952 823 A 3 ARG HGx A 4 PRO HDy 1.0 0.0 3.71 953 823 A 4 PRO HDx A 3 ARG HGx 1.0 0.0 3.71 954 823 A 3 ARG HGy A 4 PRO HDx 1.0 0.0 3.71 955 824 A 5 SER H A 4 PRO HDy 1.0 0.0 4.06 956 824 A 5 SER H A 4 PRO HDx 1.0 0.0 4.06 957 825 A 6 GLU H A 6 GLU HBx 1.0 0.0 2.99 958 825 A 6 GLU H A 6 GLU HBy 1.0 0.0 2.99 959 826 A 6 GLU HBy A 6 GLU HGx 1.0 0.0 2.41 960 826 A 6 GLU HBx A 6 GLU HGx 1.0 0.0 2.41 961 826 A 6 GLU HGy A 6 GLU HBx 1.0 0.0 2.41 962 826 A 6 GLU HGy A 6 GLU HBy 1.0 0.0 2.41 963 827 A 7 THR H A 6 GLU HBx 1.0 0.0 3.63 964 827 A 7 THR H A 6 GLU HBy 1.0 0.0 3.63 965 828 A 7 THR HG2% A 6 GLU HBx 1.0 0.0 4.52 966 828 A 7 THR HG2% A 6 GLU HBy 1.0 0.0 4.52 967 829 A 8 LEU H A 13 LEU HDy% 1.0 0.0 4.68 968 829 A 8 LEU H A 13 LEU HDx% 1.0 0.0 4.68 969 830 A 8 LEU HA A 8 LEU HDy% 1.0 0.0 3.14 970 830 A 8 LEU HA A 8 LEU HDx% 1.0 0.0 3.14 971 831 A 8 LEU HBy A 13 LEU HDy% 1.0 0.0 4.06 972 831 A 8 LEU HBy A 13 LEU HDx% 1.0 0.0 4.06 973 832 A 8 LEU HBy A 48 CYS HBy 1.0 0.0 4.60 974 832 A 8 LEU HBy A 48 CYS HBx 1.0 0.0 4.60 975 833 A 8 LEU HBx A 9 CYS HBy 1.0 0.0 5.29 976 833 A 8 LEU HBx A 9 CYS HBx 1.0 0.0 5.29 977 834 A 8 LEU HBx A 13 LEU HDy% 1.0 0.0 4.00 978 834 A 8 LEU HBx A 13 LEU HDx% 1.0 0.0 4.00 979 835 A 8 LEU HBx A 48 CYS HBy 1.0 0.0 4.41 980 835 A 8 LEU HBx A 48 CYS HBx 1.0 0.0 4.41 981 836 A 8 LEU HG A 13 LEU HDy% 1.0 0.0 4.23 982 836 A 8 LEU HG A 13 LEU HDx% 1.0 0.0 4.23 983 837 A 9 CYS H A 8 LEU HDy% 1.0 0.0 3.42 984 837 A 9 CYS H A 8 LEU HDx% 1.0 0.0 3.42 985 838 A 12 GLU HA A 8 LEU HDy% 1.0 0.0 4.26 986 838 A 12 GLU HA A 8 LEU HDx% 1.0 0.0 4.26 987 839 A 8 LEU HDx% A 12 GLU HBx 1.0 0.0 3.25 988 839 A 8 LEU HDy% A 12 GLU HBx 1.0 0.0 3.25 989 839 A 12 GLU HBy A 8 LEU HDy% 1.0 0.0 3.25 990 839 A 8 LEU HDx% A 12 GLU HBy 1.0 0.0 3.25 991 840 A 8 LEU HDx% A 12 GLU HGy 1.0 0.0 3.62 992 840 A 8 LEU HDy% A 12 GLU HGy 1.0 0.0 3.62 993 840 A 12 GLU HGx A 8 LEU HDy% 1.0 0.0 3.62 994 840 A 8 LEU HDx% A 12 GLU HGx 1.0 0.0 3.62 995 841 A 13 LEU H A 8 LEU HDy% 1.0 0.0 3.88 996 841 A 13 LEU H A 8 LEU HDx% 1.0 0.0 3.88 997 842 A 13 LEU HA A 8 LEU HDy% 1.0 0.0 3.27 998 842 A 13 LEU HA A 8 LEU HDx% 1.0 0.0 3.27 999 843 A 8 LEU HDx% A 13 LEU HDy% 1.0 0.0 3.49 1000 843 A 8 LEU HDy% A 13 LEU HDy% 1.0 0.0 3.49 1001 843 A 13 LEU HDx% A 8 LEU HDy% 1.0 0.0 3.49 1002 843 A 13 LEU HDx% A 8 LEU HDx% 1.0 0.0 3.49 1003 844 A 14 VAL H A 8 LEU HDy% 1.0 0.0 4.90 1004 844 A 14 VAL H A 8 LEU HDx% 1.0 0.0 4.90 1005 845 A 15 ASP H A 8 LEU HDy% 1.0 0.0 5.02 1006 845 A 15 ASP H A 8 LEU HDx% 1.0 0.0 5.02 1007 846 A 16 THR H A 8 LEU HDy% 1.0 0.0 4.04 1008 846 A 16 THR H A 8 LEU HDx% 1.0 0.0 4.04 1009 847 A 16 THR HA A 8 LEU HDy% 1.0 0.0 5.14 1010 847 A 16 THR HA A 8 LEU HDx% 1.0 0.0 5.14 1011 848 A 16 THR HB A 8 LEU HDy% 1.0 0.0 3.44 1012 848 A 16 THR HB A 8 LEU HDx% 1.0 0.0 3.44 1013 849 A 16 THR HG2% A 8 LEU HDy% 1.0 0.0 2.98 1014 849 A 16 THR HG2% A 8 LEU HDx% 1.0 0.0 2.98 1015 850 A 16 THR HG1 A 8 LEU HDy% 1.0 0.0 3.34 1016 850 A 16 THR HG1 A 8 LEU HDx% 1.0 0.0 3.34 1017 851 A 17 LEU H A 8 LEU HDy% 1.0 0.0 5.44 1018 851 A 17 LEU H A 8 LEU HDx% 1.0 0.0 5.44 1019 852 A 17 LEU HDx% A 8 LEU HDy% 1.0 0.0 5.19 1020 852 A 17 LEU HDx% A 8 LEU HDx% 1.0 0.0 5.19 1021 853 A 9 CYS H A 9 CYS HBy 1.0 0.0 3.58 1022 853 A 9 CYS H A 9 CYS HBx 1.0 0.0 3.58 1023 854 A 9 CYS H A 13 LEU HDy% 1.0 0.0 5.02 1024 854 A 9 CYS H A 13 LEU HDx% 1.0 0.0 5.02 1025 855 A 9 CYS HA A 13 LEU HDy% 1.0 0.0 4.09 1026 855 A 9 CYS HA A 13 LEU HDx% 1.0 0.0 4.09 1027 856 A 9 CYS HA A 45 VAL HGy% 1.0 0.0 5.25 1028 856 A 9 CYS HA A 45 VAL HGx% 1.0 0.0 5.25 1029 857 A 10 GLY H A 9 CYS HBy 1.0 0.0 4.05 1030 857 A 10 GLY H A 9 CYS HBx 1.0 0.0 4.05 1031 858 A 10 GLY H A 13 LEU HDy% 1.0 0.0 4.72 1032 858 A 10 GLY H A 13 LEU HDx% 1.0 0.0 4.72 1033 859 A 12 GLU H A 10 GLY HAy 1.0 0.0 4.47 1034 859 A 12 GLU H A 10 GLY HAx 1.0 0.0 4.47 1035 860 A 14 VAL H A 11 GLY HAy 1.0 0.0 4.49 1036 860 A 14 VAL H A 11 GLY HAx 1.0 0.0 4.49 1037 861 A 14 VAL HB A 11 GLY HAy 1.0 0.0 3.91 1038 861 A 14 VAL HB A 11 GLY HAx 1.0 0.0 3.91 1039 862 A 14 VAL HGx% A 11 GLY HAy 1.0 0.0 4.56 1040 862 A 14 VAL HGx% A 11 GLY HAx 1.0 0.0 4.56 1041 863 A 14 VAL HGy% A 11 GLY HAy 1.0 0.0 3.63 1042 863 A 14 VAL HGy% A 11 GLY HAx 1.0 0.0 3.63 1043 864 A 12 GLU H A 12 GLU HBx 1.0 0.0 3.52 1044 864 A 12 GLU H A 12 GLU HBy 1.0 0.0 3.52 1045 865 A 12 GLU H A 12 GLU HGy 1.0 0.0 4.10 1046 865 A 12 GLU H A 12 GLU HGx 1.0 0.0 4.10 1047 866 A 12 GLU HA A 15 ASP HBx 1.0 0.0 4.14 1048 866 A 12 GLU HA A 15 ASP HBy 1.0 0.0 4.14 1049 867 A 12 GLU HGx A 13 LEU HDy% 1.0 0.0 4.85 1050 867 A 13 LEU HDx% A 12 GLU HGy 1.0 0.0 4.85 1051 867 A 13 LEU HDx% A 12 GLU HGx 1.0 0.0 4.85 1052 867 A 12 GLU HGy A 13 LEU HDy% 1.0 0.0 4.85 1053 868 A 13 LEU H A 13 LEU HDy% 1.0 0.0 3.88 1054 868 A 13 LEU H A 13 LEU HDx% 1.0 0.0 3.88 1055 869 A 13 LEU HA A 13 LEU HDy% 1.0 0.0 3.06 1056 869 A 13 LEU HA A 13 LEU HDx% 1.0 0.0 3.06 1057 870 A 13 LEU HBy A 13 LEU HDy% 1.0 0.0 2.64 1058 870 A 13 LEU HBx A 13 LEU HDy% 1.0 0.0 2.64 1059 870 A 13 LEU HDx% A 13 LEU HBx 1.0 0.0 2.64 1060 870 A 13 LEU HDx% A 13 LEU HBy 1.0 0.0 2.64 1061 871 A 14 VAL H A 13 LEU HBx 1.0 0.0 4.08 1062 871 A 14 VAL H A 13 LEU HBy 1.0 0.0 4.08 1063 872 A 14 VAL HGy% A 13 LEU HBx 1.0 0.0 4.21 1064 872 A 14 VAL HGy% A 13 LEU HBy 1.0 0.0 4.21 1065 873 A 13 LEU HBy A 45 VAL HGy% 1.0 0.0 4.96 1066 873 A 13 LEU HBx A 45 VAL HGy% 1.0 0.0 4.96 1067 873 A 45 VAL HGx% A 13 LEU HBx 1.0 0.0 4.96 1068 873 A 45 VAL HGx% A 13 LEU HBy 1.0 0.0 4.96 1069 874 A 13 LEU HG A 44 ILE HG1y 1.0 0.0 5.34 1070 874 A 13 LEU HG A 44 ILE HG1x 1.0 0.0 5.34 1071 875 A 13 LEU HG A 45 VAL HGy% 1.0 0.0 5.44 1072 875 A 13 LEU HG A 45 VAL HGx% 1.0 0.0 5.44 1073 876 A 14 VAL HA A 13 LEU HDy% 1.0 0.0 4.79 1074 876 A 14 VAL HA A 13 LEU HDx% 1.0 0.0 4.79 1075 877 A 14 VAL HGy% A 13 LEU HDy% 1.0 0.0 4.23 1076 877 A 14 VAL HGy% A 13 LEU HDx% 1.0 0.0 4.23 1077 878 A 16 THR H A 13 LEU HDy% 1.0 0.0 4.71 1078 878 A 16 THR H A 13 LEU HDx% 1.0 0.0 4.71 1079 879 A 16 THR HB A 13 LEU HDy% 1.0 0.0 4.26 1080 879 A 16 THR HB A 13 LEU HDx% 1.0 0.0 4.26 1081 880 A 16 THR HG2% A 13 LEU HDy% 1.0 0.0 3.77 1082 880 A 16 THR HG2% A 13 LEU HDx% 1.0 0.0 3.77 1083 881 A 16 THR HG1 A 13 LEU HDy% 1.0 0.0 5.21 1084 881 A 16 THR HG1 A 13 LEU HDx% 1.0 0.0 5.21 1085 882 A 17 LEU H A 13 LEU HDy% 1.0 0.0 4.33 1086 882 A 17 LEU H A 13 LEU HDx% 1.0 0.0 4.33 1087 883 A 17 LEU HA A 13 LEU HDy% 1.0 0.0 5.06 1088 883 A 17 LEU HA A 13 LEU HDx% 1.0 0.0 5.06 1089 884 A 17 LEU HG A 13 LEU HDy% 1.0 0.0 3.66 1090 884 A 17 LEU HG A 13 LEU HDx% 1.0 0.0 3.66 1091 885 A 17 LEU HDx% A 13 LEU HDy% 1.0 0.0 2.93 1092 885 A 17 LEU HDx% A 13 LEU HDx% 1.0 0.0 2.93 1093 886 A 17 LEU HDy% A 13 LEU HDy% 1.0 0.0 3.85 1094 886 A 17 LEU HDy% A 13 LEU HDx% 1.0 0.0 3.85 1095 887 A 28 PHE HD% A 13 LEU HDy% 1.0 0.0 4.10 1096 887 A 28 PHE HD% A 13 LEU HDx% 1.0 0.0 4.10 1097 888 A 28 PHE HE% A 13 LEU HDy% 1.0 0.0 4.16 1098 888 A 28 PHE HE% A 13 LEU HDx% 1.0 0.0 4.16 1099 889 A 28 PHE HZ A 13 LEU HDy% 1.0 0.0 4.50 1100 889 A 28 PHE HZ A 13 LEU HDx% 1.0 0.0 4.50 1101 890 A 44 ILE HB A 13 LEU HDy% 1.0 0.0 4.65 1102 890 A 44 ILE HB A 13 LEU HDx% 1.0 0.0 4.65 1103 891 A 13 LEU HDy% A 44 ILE HG1y 1.0 0.0 3.46 1104 891 A 44 ILE HG1x A 13 LEU HDy% 1.0 0.0 3.46 1105 891 A 13 LEU HDx% A 44 ILE HG1x 1.0 0.0 3.46 1106 891 A 13 LEU HDx% A 44 ILE HG1y 1.0 0.0 3.46 1107 892 A 44 ILE HD1% A 13 LEU HDy% 1.0 0.0 2.87 1108 892 A 44 ILE HD1% A 13 LEU HDx% 1.0 0.0 2.87 1109 893 A 45 VAL H A 13 LEU HDy% 1.0 0.0 4.19 1110 893 A 45 VAL H A 13 LEU HDx% 1.0 0.0 4.19 1111 894 A 45 VAL HA A 13 LEU HDy% 1.0 0.0 3.42 1112 894 A 45 VAL HA A 13 LEU HDx% 1.0 0.0 3.42 1113 895 A 13 LEU HDx% A 45 VAL HGy% 1.0 0.0 4.80 1114 895 A 13 LEU HDy% A 45 VAL HGy% 1.0 0.0 4.80 1115 895 A 45 VAL HGx% A 13 LEU HDy% 1.0 0.0 4.80 1116 895 A 13 LEU HDx% A 45 VAL HGx% 1.0 0.0 4.80 1117 896 A 48 CYS H A 13 LEU HDy% 1.0 0.0 5.44 1118 896 A 48 CYS H A 13 LEU HDx% 1.0 0.0 5.44 1119 897 A 48 CYS HA A 13 LEU HDy% 1.0 0.0 5.44 1120 897 A 13 LEU HDx% A 48 CYS HA 1.0 0.0 5.44 1121 898 A 13 LEU HDx% A 48 CYS HBy 1.0 0.0 3.26 1122 898 A 13 LEU HDy% A 48 CYS HBy 1.0 0.0 3.26 1123 898 A 48 CYS HBx A 13 LEU HDy% 1.0 0.0 3.26 1124 898 A 13 LEU HDx% A 48 CYS HBx 1.0 0.0 3.26 1125 899 A 49 CYS H A 13 LEU HDy% 1.0 0.0 4.73 1126 899 A 49 CYS H A 13 LEU HDx% 1.0 0.0 4.73 1127 900 A 13 LEU HDy% A 49 CYS HBy 1.0 0.0 4.81 1128 900 A 13 LEU HDx% A 49 CYS HBy 1.0 0.0 4.81 1129 900 A 49 CYS HBx A 13 LEU HDy% 1.0 0.0 4.81 1130 900 A 13 LEU HDx% A 49 CYS HBx 1.0 0.0 4.81 1131 901 A 14 VAL HGx% A 18 GLN HBy 1.0 0.0 4.13 1132 901 A 14 VAL HGx% A 18 GLN HBx 1.0 0.0 4.13 1133 902 A 14 VAL HGx% A 18 GLN HGx 1.0 0.0 3.32 1134 902 A 14 VAL HGx% A 18 GLN HGy 1.0 0.0 3.32 1135 903 A 14 VAL HGx% A 18 GLN HE2y 1.0 0.0 3.15 1136 903 A 14 VAL HGx% A 18 GLN HE2x 1.0 0.0 3.15 1137 904 A 15 ASP H A 15 ASP HBx 1.0 0.0 3.63 1138 904 A 15 ASP H A 15 ASP HBy 1.0 0.0 3.63 1139 905 A 15 ASP HA A 18 GLN HBy 1.0 0.0 4.21 1140 905 A 15 ASP HA A 18 GLN HBx 1.0 0.0 4.21 1141 906 A 16 THR H A 15 ASP HBx 1.0 0.0 4.23 1142 906 A 16 THR H A 15 ASP HBy 1.0 0.0 4.23 1143 907 A 16 THR HA A 20 VAL HGy% 1.0 0.0 4.56 1144 907 A 16 THR HA A 20 VAL HGx% 1.0 0.0 4.56 1145 908 A 16 THR HA A 58 LEU HDy% 1.0 0.0 4.81 1146 908 A 16 THR HA A 58 LEU HDx% 1.0 0.0 4.81 1147 909 A 16 THR HG2% A 20 VAL HGy% 1.0 0.0 3.06 1148 909 A 16 THR HG2% A 20 VAL HGx% 1.0 0.0 3.06 1149 910 A 16 THR HG2% A 58 LEU HDy% 1.0 0.0 2.64 1150 910 A 16 THR HG2% A 58 LEU HDx% 1.0 0.0 2.64 1151 911 A 16 THR HG1 A 58 LEU HDy% 1.0 0.0 5.44 1152 911 A 16 THR HG1 A 58 LEU HDx% 1.0 0.0 5.44 1153 912 A 17 LEU H A 20 VAL HGy% 1.0 0.0 4.67 1154 912 A 17 LEU H A 20 VAL HGx% 1.0 0.0 4.67 1155 913 A 17 LEU H A 58 LEU HDy% 1.0 0.0 3.96 1156 913 A 17 LEU H A 58 LEU HDx% 1.0 0.0 3.96 1157 914 A 17 LEU HA A 20 VAL HGy% 1.0 0.0 3.82 1158 914 A 17 LEU HA A 20 VAL HGx% 1.0 0.0 3.82 1159 915 A 17 LEU HA A 58 LEU HDy% 1.0 0.0 3.26 1160 915 A 17 LEU HA A 58 LEU HDx% 1.0 0.0 3.26 1161 916 A 17 LEU HBx A 26 PHE HBx 1.0 0.0 5.14 1162 916 A 17 LEU HBx A 26 PHE HBy 1.0 0.0 5.14 1163 917 A 17 LEU HG A 44 ILE HG1y 1.0 0.0 5.15 1164 917 A 17 LEU HG A 44 ILE HG1x 1.0 0.0 5.15 1165 918 A 17 LEU HG A 58 LEU HDy% 1.0 0.0 3.24 1166 918 A 17 LEU HG A 58 LEU HDx% 1.0 0.0 3.24 1167 919 A 17 LEU HDx% A 44 ILE HG1y 1.0 0.0 3.31 1168 919 A 17 LEU HDx% A 44 ILE HG1x 1.0 0.0 3.31 1169 920 A 17 LEU HDx% A 58 LEU HDy% 1.0 0.0 3.31 1170 920 A 17 LEU HDx% A 58 LEU HDx% 1.0 0.0 3.31 1171 921 A 17 LEU HDx% A 61 TYR HBx 1.0 0.0 5.34 1172 921 A 17 LEU HDx% A 61 TYR HBy 1.0 0.0 5.34 1173 922 A 17 LEU HDy% A 20 VAL HGy% 1.0 0.0 4.10 1174 922 A 17 LEU HDy% A 20 VAL HGx% 1.0 0.0 4.10 1175 923 A 17 LEU HDy% A 44 ILE HG1y 1.0 0.0 3.86 1176 923 A 17 LEU HDy% A 44 ILE HG1x 1.0 0.0 3.86 1177 924 A 17 LEU HDy% A 58 LEU HBx 1.0 0.0 4.76 1178 924 A 17 LEU HDy% A 58 LEU HBy 1.0 0.0 4.76 1179 925 A 17 LEU HDy% A 58 LEU HDy% 1.0 0.0 2.74 1180 925 A 17 LEU HDy% A 58 LEU HDx% 1.0 0.0 2.74 1181 926 A 17 LEU HDy% A 61 TYR HBx 1.0 0.0 3.44 1182 926 A 17 LEU HDy% A 61 TYR HBy 1.0 0.0 3.44 1183 927 A 18 GLN H A 18 GLN HGx 1.0 0.0 3.33 1184 927 A 18 GLN H A 18 GLN HGy 1.0 0.0 3.33 1185 928 A 18 GLN H A 20 VAL HGy% 1.0 0.0 5.13 1186 928 A 18 GLN H A 20 VAL HGx% 1.0 0.0 5.13 1187 929 A 18 GLN HA A 18 GLN HGx 1.0 0.0 3.34 1188 929 A 18 GLN HA A 18 GLN HGy 1.0 0.0 3.34 1189 930 A 18 GLN HE2x A 18 GLN HBy 1.0 0.0 4.36 1190 930 A 18 GLN HE2x A 18 GLN HBx 1.0 0.0 4.36 1191 930 A 18 GLN HE2y A 18 GLN HBy 1.0 0.0 4.36 1192 930 A 18 GLN HE2y A 18 GLN HBx 1.0 0.0 4.36 1193 931 A 19 PHE H A 18 GLN HBy 1.0 0.0 3.47 1194 931 A 19 PHE H A 18 GLN HBx 1.0 0.0 3.47 1195 932 A 18 GLN HE2y A 18 GLN HGx 1.0 0.0 3.15 1196 932 A 18 GLN HE2y A 18 GLN HGy 1.0 0.0 3.15 1197 932 A 18 GLN HE2x A 18 GLN HGy 1.0 0.0 3.15 1198 932 A 18 GLN HE2x A 18 GLN HGx 1.0 0.0 3.15 1199 933 A 19 PHE H A 18 GLN HGx 1.0 0.0 4.85 1200 933 A 19 PHE H A 18 GLN HGy 1.0 0.0 4.85 1201 934 A 26 PHE HE% A 18 GLN HGx 1.0 0.0 3.38 1202 934 A 26 PHE HE% A 18 GLN HGy 1.0 0.0 3.38 1203 935 A 19 PHE H A 20 VAL HGy% 1.0 0.0 4.33 1204 935 A 19 PHE H A 20 VAL HGx% 1.0 0.0 4.33 1205 936 A 20 VAL H A 19 PHE HBx 1.0 0.0 3.74 1206 936 A 20 VAL H A 19 PHE HBy 1.0 0.0 3.74 1207 937 A 19 PHE HBy A 20 VAL HGy% 1.0 0.0 4.59 1208 937 A 19 PHE HBx A 20 VAL HGy% 1.0 0.0 4.59 1209 937 A 20 VAL HGx% A 19 PHE HBx 1.0 0.0 4.59 1210 937 A 20 VAL HGx% A 19 PHE HBy 1.0 0.0 4.59 1211 938 A 19 PHE HD% A 20 VAL HGy% 1.0 0.0 3.85 1212 938 A 19 PHE HD% A 20 VAL HGx% 1.0 0.0 3.85 1213 939 A 20 VAL H A 20 VAL HGy% 1.0 0.0 2.96 1214 939 A 20 VAL H A 20 VAL HGx% 1.0 0.0 2.96 1215 940 A 20 VAL H A 58 LEU HDy% 1.0 0.0 5.08 1216 940 A 20 VAL H A 58 LEU HDx% 1.0 0.0 5.08 1217 941 A 20 VAL HA A 20 VAL HGy% 1.0 0.0 2.82 1218 941 A 20 VAL HA A 20 VAL HGx% 1.0 0.0 2.82 1219 942 A 20 VAL HB A 58 LEU HDy% 1.0 0.0 4.24 1220 942 A 20 VAL HB A 58 LEU HDx% 1.0 0.0 4.24 1221 943 A 21 CYS H A 20 VAL HGy% 1.0 0.0 3.45 1222 943 A 21 CYS H A 20 VAL HGx% 1.0 0.0 3.45 1223 944 A 21 CYS HA A 20 VAL HGy% 1.0 0.0 4.40 1224 944 A 20 VAL HGx% A 21 CYS HA 1.0 0.0 4.40 1225 945 A 20 VAL HGy% A 21 CYS HBy 1.0 0.0 3.90 1226 945 A 20 VAL HGx% A 21 CYS HBy 1.0 0.0 3.90 1227 945 A 21 CYS HBx A 20 VAL HGy% 1.0 0.0 3.90 1228 945 A 20 VAL HGx% A 21 CYS HBx 1.0 0.0 3.90 1229 946 A 55 LEU HBy A 20 VAL HGy% 1.0 0.0 4.52 1230 946 A 55 LEU HBy A 20 VAL HGx% 1.0 0.0 4.52 1231 947 A 55 LEU HBx A 20 VAL HGy% 1.0 0.0 5.03 1232 947 A 55 LEU HBx A 20 VAL HGx% 1.0 0.0 5.03 1233 948 A 56 ALA HA A 20 VAL HGy% 1.0 0.0 5.44 1234 948 A 56 ALA HA A 20 VAL HGx% 1.0 0.0 5.44 1235 949 A 58 LEU H A 20 VAL HGy% 1.0 0.0 5.44 1236 949 A 58 LEU H A 20 VAL HGx% 1.0 0.0 5.44 1237 950 A 58 LEU HA A 20 VAL HGy% 1.0 0.0 5.44 1238 950 A 58 LEU HA A 20 VAL HGx% 1.0 0.0 5.44 1239 951 A 20 VAL HGy% A 58 LEU HBx 1.0 0.0 4.31 1240 951 A 20 VAL HGx% A 58 LEU HBx 1.0 0.0 4.31 1241 951 A 58 LEU HBy A 20 VAL HGy% 1.0 0.0 4.31 1242 951 A 20 VAL HGx% A 58 LEU HBy 1.0 0.0 4.31 1243 952 A 58 LEU HG A 20 VAL HGy% 1.0 0.0 4.44 1244 952 A 58 LEU HG A 20 VAL HGx% 1.0 0.0 4.44 1245 953 A 20 VAL HGx% A 58 LEU HDy% 1.0 0.0 2.59 1246 953 A 20 VAL HGy% A 58 LEU HDy% 1.0 0.0 2.59 1247 953 A 58 LEU HDx% A 20 VAL HGy% 1.0 0.0 2.59 1248 953 A 20 VAL HGx% A 58 LEU HDx% 1.0 0.0 2.59 1249 954 A 59 GLU H A 20 VAL HGy% 1.0 0.0 3.58 1250 954 A 59 GLU H A 20 VAL HGx% 1.0 0.0 3.58 1251 955 A 59 GLU HA A 20 VAL HGy% 1.0 0.0 3.16 1252 955 A 59 GLU HA A 20 VAL HGx% 1.0 0.0 3.16 1253 956 A 59 GLU HBy A 20 VAL HGy% 1.0 0.0 3.55 1254 956 A 59 GLU HBy A 20 VAL HGx% 1.0 0.0 3.55 1255 957 A 59 GLU HBx A 20 VAL HGy% 1.0 0.0 4.02 1256 957 A 59 GLU HBx A 20 VAL HGx% 1.0 0.0 4.02 1257 958 A 20 VAL HGy% A 59 GLU HGy 1.0 0.0 3.02 1258 958 A 20 VAL HGx% A 59 GLU HGy 1.0 0.0 3.02 1259 958 A 59 GLU HGx A 20 VAL HGy% 1.0 0.0 3.02 1260 958 A 20 VAL HGx% A 59 GLU HGx 1.0 0.0 3.02 1261 959 A 60 THR HG2% A 20 VAL HGy% 1.0 0.0 5.44 1262 959 A 60 THR HG2% A 20 VAL HGx% 1.0 0.0 5.44 1263 960 A 61 TYR H A 20 VAL HGy% 1.0 0.0 5.44 1264 960 A 61 TYR H A 20 VAL HGx% 1.0 0.0 5.44 1265 961 A 21 CYS H A 21 CYS HBy 1.0 0.0 3.46 1266 961 A 21 CYS H A 21 CYS HBx 1.0 0.0 3.46 1267 962 A 22 GLY H A 21 CYS HBy 1.0 0.0 4.12 1268 962 A 22 GLY H A 21 CYS HBx 1.0 0.0 4.12 1269 963 A 26 PHE HD% A 21 CYS HBy 1.0 0.0 5.34 1270 963 A 26 PHE HD% A 21 CYS HBx 1.0 0.0 5.34 1271 964 A 24 ARG H A 22 GLY HAy 1.0 0.0 4.39 1272 964 A 24 ARG H A 22 GLY HAx 1.0 0.0 4.39 1273 965 A 23 ASP H A 23 ASP HBx 1.0 0.0 3.44 1274 965 A 23 ASP H A 23 ASP HBy 1.0 0.0 3.44 1275 966 A 24 ARG HA A 24 ARG HGy 1.0 0.0 3.60 1276 966 A 24 ARG HA A 24 ARG HGx 1.0 0.0 3.60 1277 967 A 25 GLY H A 24 ARG HBy 1.0 0.0 4.24 1278 967 A 25 GLY H A 24 ARG HBx 1.0 0.0 4.24 1279 968 A 63 ALA HB% A 24 ARG HBy 1.0 0.0 4.38 1280 968 A 63 ALA HB% A 24 ARG HBx 1.0 0.0 4.38 1281 969 A 64 THR H A 24 ARG HBy 1.0 0.0 4.58 1282 969 A 64 THR H A 24 ARG HBx 1.0 0.0 4.58 1283 970 A 24 ARG HE A 24 ARG HGy 1.0 0.0 3.60 1284 970 A 24 ARG HE A 24 ARG HGx 1.0 0.0 3.60 1285 971 A 26 PHE HD% A 25 GLY HAy 1.0 0.0 4.52 1286 971 A 26 PHE HD% A 25 GLY HAx 1.0 0.0 4.52 1287 972 A 63 ALA HB% A 25 GLY HAy 1.0 0.0 3.98 1288 972 A 63 ALA HB% A 25 GLY HAx 1.0 0.0 3.98 1289 973 A 27 TYR H A 26 PHE HBx 1.0 0.0 3.69 1290 973 A 27 TYR H A 26 PHE HBy 1.0 0.0 3.69 1291 974 A 26 PHE HBy A 58 LEU HDy% 1.0 0.0 5.28 1292 974 A 26 PHE HBx A 58 LEU HDy% 1.0 0.0 5.28 1293 974 A 58 LEU HDx% A 26 PHE HBx 1.0 0.0 5.28 1294 974 A 58 LEU HDx% A 26 PHE HBy 1.0 0.0 5.28 1295 975 A 62 CYS HA A 26 PHE HBx 1.0 0.0 4.79 1296 975 A 26 PHE HBy A 62 CYS HA 1.0 0.0 4.79 1297 976 A 26 PHE HBy A 62 CYS HBy 1.0 0.0 4.70 1298 976 A 62 CYS HBx A 26 PHE HBx 1.0 0.0 4.70 1299 976 A 26 PHE HBy A 62 CYS HBx 1.0 0.0 4.70 1300 976 A 26 PHE HBx A 62 CYS HBy 1.0 0.0 4.70 1301 977 A 63 ALA HB% A 26 PHE HBx 1.0 0.0 4.50 1302 977 A 63 ALA HB% A 26 PHE HBy 1.0 0.0 4.50 1303 978 A 28 PHE H A 27 TYR HBx 1.0 0.0 3.76 1304 978 A 28 PHE H A 27 TYR HBy 1.0 0.0 3.76 1305 979 A 29 SER H A 27 TYR HBx 1.0 0.0 3.85 1306 979 A 29 SER H A 27 TYR HBy 1.0 0.0 3.85 1307 980 A 28 PHE H A 28 PHE HBx 1.0 0.0 3.48 1308 980 A 28 PHE H A 28 PHE HBy 1.0 0.0 3.48 1309 981 A 44 ILE HG2% A 28 PHE HBx 1.0 0.0 3.63 1310 981 A 44 ILE HG2% A 28 PHE HBy 1.0 0.0 3.63 1311 982 A 28 PHE HBy A 45 VAL HGy% 1.0 0.0 4.48 1312 982 A 28 PHE HBx A 45 VAL HGy% 1.0 0.0 4.48 1313 982 A 45 VAL HGx% A 28 PHE HBx 1.0 0.0 4.48 1314 982 A 45 VAL HGx% A 28 PHE HBy 1.0 0.0 4.48 1315 983 A 28 PHE HD% A 45 VAL HGy% 1.0 0.0 3.49 1316 983 A 28 PHE HD% A 45 VAL HGx% 1.0 0.0 3.49 1317 984 A 28 PHE HE% A 45 VAL HGy% 1.0 0.0 3.94 1318 984 A 28 PHE HE% A 45 VAL HGx% 1.0 0.0 3.94 1319 985 A 30 ARG H A 29 SER HBx 1.0 0.0 3.75 1320 985 A 30 ARG H A 29 SER HBy 1.0 0.0 3.75 1321 986 A 30 ARG H A 30 ARG HBy 1.0 0.0 3.61 1322 986 A 30 ARG H A 30 ARG HBx 1.0 0.0 3.61 1323 987 A 30 ARG HA A 31 PRO HDy 1.0 0.0 3.48 1324 987 A 30 ARG HA A 31 PRO HDx 1.0 0.0 3.48 1325 988 A 30 ARG HBy A 31 PRO HDy 1.0 0.0 3.31 1326 988 A 30 ARG HBx A 31 PRO HDy 1.0 0.0 3.31 1327 988 A 31 PRO HDx A 30 ARG HBy 1.0 0.0 3.31 1328 988 A 30 ARG HBx A 31 PRO HDx 1.0 0.0 3.31 1329 989 A 30 ARG HGy A 31 PRO HGy 1.0 0.0 5.12 1330 989 A 30 ARG HGx A 31 PRO HGy 1.0 0.0 5.12 1331 989 A 31 PRO HGx A 30 ARG HGx 1.0 0.0 5.12 1332 989 A 30 ARG HGy A 31 PRO HGx 1.0 0.0 5.12 1333 990 A 30 ARG HGx A 31 PRO HDy 1.0 0.0 3.72 1334 990 A 30 ARG HGy A 31 PRO HDy 1.0 0.0 3.72 1335 990 A 31 PRO HDx A 30 ARG HGx 1.0 0.0 3.72 1336 990 A 30 ARG HGy A 31 PRO HDx 1.0 0.0 3.72 1337 991 A 32 ALA H A 31 PRO HBy 1.0 0.0 3.40 1338 991 A 32 ALA H A 31 PRO HBx 1.0 0.0 3.40 1339 992 A 32 ALA HB% A 31 PRO HBy 1.0 0.0 4.59 1340 992 A 32 ALA HB% A 31 PRO HBx 1.0 0.0 4.59 1341 993 A 33 SER H A 31 PRO HBy 1.0 0.0 3.98 1342 993 A 33 SER H A 31 PRO HBx 1.0 0.0 3.98 1343 994 A 32 ALA HB% A 33 SER HBx 1.0 0.0 4.73 1344 994 A 32 ALA HB% A 33 SER HBy 1.0 0.0 4.73 1345 995 A 33 SER H A 33 SER HBx 1.0 0.0 3.23 1346 995 A 33 SER H A 33 SER HBy 1.0 0.0 3.23 1347 996 A 34 ARG H A 33 SER HBx 1.0 0.0 4.01 1348 996 A 34 ARG H A 33 SER HBy 1.0 0.0 4.01 1349 997 A 35 VAL H A 33 SER HBx 1.0 0.0 4.31 1350 997 A 35 VAL H A 33 SER HBy 1.0 0.0 4.31 1351 998 A 35 VAL HGy% A 33 SER HBx 1.0 0.0 4.05 1352 998 A 35 VAL HGy% A 33 SER HBy 1.0 0.0 4.05 1353 999 A 34 ARG HBy A 34 ARG HGx 1.0 0.0 2.41 1354 999 A 34 ARG HBx A 34 ARG HGx 1.0 0.0 2.41 1355 999 A 34 ARG HGy A 34 ARG HBy 1.0 0.0 2.41 1356 999 A 34 ARG HGy A 34 ARG HBx 1.0 0.0 2.41 1357 1000 A 34 ARG HBy A 34 ARG HDx 1.0 0.0 2.70 1358 1000 A 34 ARG HBx A 34 ARG HDx 1.0 0.0 2.70 1359 1000 A 34 ARG HDy A 34 ARG HBy 1.0 0.0 2.70 1360 1000 A 34 ARG HDy A 34 ARG HBx 1.0 0.0 2.70 1361 1001 A 35 VAL H A 34 ARG HBy 1.0 0.0 4.13 1362 1001 A 35 VAL H A 34 ARG HBx 1.0 0.0 4.13 1363 1002 A 35 VAL HGx% A 34 ARG HBy 1.0 0.0 3.94 1364 1002 A 35 VAL HGx% A 34 ARG HBx 1.0 0.0 3.94 1365 1003 A 35 VAL HGy% A 34 ARG HBy 1.0 0.0 5.10 1366 1003 A 35 VAL HGy% A 34 ARG HBx 1.0 0.0 5.10 1367 1004 A 35 VAL H A 36 SER HBx 1.0 0.0 5.34 1368 1004 A 35 VAL H A 36 SER HBy 1.0 0.0 5.34 1369 1005 A 36 SER H A 36 SER HBx 1.0 0.0 3.17 1370 1005 A 36 SER H A 36 SER HBy 1.0 0.0 3.17 1371 1006 A 37 ARG H A 36 SER HBx 1.0 0.0 4.15 1372 1006 A 37 ARG H A 36 SER HBy 1.0 0.0 4.15 1373 1007 A 38 ARG H A 37 ARG HBy 1.0 0.0 4.28 1374 1007 A 38 ARG H A 37 ARG HBx 1.0 0.0 4.28 1375 1008 A 39 SER H A 37 ARG HBy 1.0 0.0 4.71 1376 1008 A 39 SER H A 37 ARG HBx 1.0 0.0 4.71 1377 1009 A 38 ARG H A 38 ARG HBy 1.0 0.0 3.52 1378 1009 A 38 ARG H A 38 ARG HBx 1.0 0.0 3.52 1379 1010 A 39 SER H A 38 ARG HBy 1.0 0.0 4.19 1380 1010 A 39 SER H A 38 ARG HBx 1.0 0.0 4.19 1381 1011 A 39 SER H A 39 SER HBy 1.0 0.0 3.10 1382 1011 A 39 SER H A 39 SER HBx 1.0 0.0 3.10 1383 1012 A 41 GLN H A 40 PRO HBy 1.0 0.0 3.64 1384 1012 A 41 GLN H A 40 PRO HBx 1.0 0.0 3.64 1385 1013 A 41 GLN H A 41 GLN HBy 1.0 0.0 3.04 1386 1013 A 41 GLN H A 41 GLN HBx 1.0 0.0 3.04 1387 1014 A 42 ARG H A 41 GLN HBy 1.0 0.0 3.61 1388 1014 A 42 ARG H A 41 GLN HBx 1.0 0.0 3.61 1389 1015 A 41 GLN HGy A 41 GLN HE2y 1.0 0.0 3.16 1390 1015 A 41 GLN HE2y A 41 GLN HGx 1.0 0.0 3.16 1391 1015 A 41 GLN HGy A 41 GLN HE2x 1.0 0.0 3.16 1392 1015 A 41 GLN HE2x A 41 GLN HGx 1.0 0.0 3.16 1393 1016 A 42 ARG H A 42 ARG HBy 1.0 0.0 3.34 1394 1016 A 42 ARG H A 42 ARG HBx 1.0 0.0 3.34 1395 1017 A 42 ARG HE A 42 ARG HBy 1.0 0.0 4.08 1396 1017 A 42 ARG HE A 42 ARG HBx 1.0 0.0 4.08 1397 1018 A 43 GLY H A 42 ARG HBy 1.0 0.0 3.43 1398 1018 A 43 GLY H A 42 ARG HBx 1.0 0.0 3.43 1399 1019 A 42 ARG HBy A 46 GLU HGy 1.0 0.0 4.27 1400 1019 A 46 GLU HGx A 42 ARG HBy 1.0 0.0 4.27 1401 1019 A 42 ARG HBx A 46 GLU HGx 1.0 0.0 4.27 1402 1019 A 42 ARG HBx A 46 GLU HGy 1.0 0.0 4.27 1403 1020 A 42 ARG HGy A 46 GLU HGy 1.0 0.0 4.86 1404 1020 A 46 GLU HGx A 42 ARG HGx 1.0 0.0 4.86 1405 1020 A 42 ARG HGy A 46 GLU HGx 1.0 0.0 4.86 1406 1020 A 42 ARG HGx A 46 GLU HGy 1.0 0.0 4.86 1407 1021 A 42 ARG HDy A 46 GLU HBx 1.0 0.0 5.10 1408 1021 A 46 GLU HBy A 42 ARG HDx 1.0 0.0 5.10 1409 1021 A 42 ARG HDy A 46 GLU HBy 1.0 0.0 5.10 1410 1021 A 42 ARG HDx A 46 GLU HBx 1.0 0.0 5.10 1411 1022 A 43 GLY H A 46 GLU HBx 1.0 0.0 4.04 1412 1022 A 43 GLY H A 46 GLU HBy 1.0 0.0 4.04 1413 1023 A 43 GLY H A 46 GLU HGy 1.0 0.0 4.57 1414 1023 A 43 GLY H A 46 GLU HGx 1.0 0.0 4.57 1415 1024 A 44 ILE HG2% A 43 GLY HAy 1.0 0.0 4.20 1416 1024 A 44 ILE HG2% A 43 GLY HAx 1.0 0.0 4.20 1417 1025 A 44 ILE H A 45 VAL HGy% 1.0 0.0 5.15 1418 1025 A 44 ILE H A 45 VAL HGx% 1.0 0.0 5.15 1419 1026 A 44 ILE HA A 44 ILE HG1y 1.0 0.0 3.60 1420 1026 A 44 ILE HA A 44 ILE HG1x 1.0 0.0 3.60 1421 1027 A 44 ILE HA A 47 GLU HBx 1.0 0.0 4.74 1422 1027 A 44 ILE HA A 47 GLU HBy 1.0 0.0 4.74 1423 1028 A 44 ILE HG2% A 44 ILE HG1y 1.0 0.0 3.27 1424 1028 A 44 ILE HG2% A 44 ILE HG1x 1.0 0.0 3.27 1425 1029 A 44 ILE HG2% A 45 VAL HGy% 1.0 0.0 2.95 1426 1029 A 44 ILE HG2% A 45 VAL HGx% 1.0 0.0 2.95 1427 1030 A 44 ILE HG2% A 61 TYR HBx 1.0 0.0 4.98 1428 1030 A 44 ILE HG2% A 61 TYR HBy 1.0 0.0 4.98 1429 1031 A 45 VAL H A 44 ILE HG1y 1.0 0.0 4.44 1430 1031 A 45 VAL H A 44 ILE HG1x 1.0 0.0 4.44 1431 1032 A 61 TYR HE% A 44 ILE HG1y 1.0 0.0 5.34 1432 1032 A 61 TYR HE% A 44 ILE HG1x 1.0 0.0 5.34 1433 1033 A 44 ILE HD1% A 47 GLU HBx 1.0 0.0 4.69 1434 1033 A 44 ILE HD1% A 47 GLU HBy 1.0 0.0 4.69 1435 1034 A 44 ILE HD1% A 48 CYS HBy 1.0 0.0 4.47 1436 1034 A 44 ILE HD1% A 48 CYS HBx 1.0 0.0 4.47 1437 1035 A 44 ILE HD1% A 58 LEU HBx 1.0 0.0 3.85 1438 1035 A 44 ILE HD1% A 58 LEU HBy 1.0 0.0 3.85 1439 1036 A 44 ILE HD1% A 58 LEU HDy% 1.0 0.0 2.67 1440 1036 A 44 ILE HD1% A 58 LEU HDx% 1.0 0.0 2.67 1441 1037 A 44 ILE HD1% A 61 TYR HBx 1.0 0.0 3.60 1442 1037 A 44 ILE HD1% A 61 TYR HBy 1.0 0.0 3.60 1443 1038 A 45 VAL H A 45 VAL HGy% 1.0 0.0 2.92 1444 1038 A 45 VAL H A 45 VAL HGx% 1.0 0.0 2.92 1445 1039 A 45 VAL HA A 45 VAL HGy% 1.0 0.0 2.79 1446 1039 A 45 VAL HA A 45 VAL HGx% 1.0 0.0 2.79 1447 1040 A 46 GLU H A 45 VAL HGy% 1.0 0.0 3.46 1448 1040 A 46 GLU H A 45 VAL HGx% 1.0 0.0 3.46 1449 1041 A 46 GLU HA A 45 VAL HGy% 1.0 0.0 4.14 1450 1041 A 46 GLU HA A 45 VAL HGx% 1.0 0.0 4.14 1451 1042 A 45 VAL HGx% A 46 GLU HGy 1.0 0.0 4.12 1452 1042 A 45 VAL HGy% A 46 GLU HGy 1.0 0.0 4.12 1453 1042 A 46 GLU HGx A 45 VAL HGy% 1.0 0.0 4.12 1454 1042 A 45 VAL HGx% A 46 GLU HGx 1.0 0.0 4.12 1455 1043 A 49 CYS H A 45 VAL HGy% 1.0 0.0 4.42 1456 1043 A 49 CYS H A 45 VAL HGx% 1.0 0.0 4.42 1457 1044 A 49 CYS HA A 45 VAL HGy% 1.0 0.0 5.13 1458 1044 A 49 CYS HA A 45 VAL HGx% 1.0 0.0 5.13 1459 1045 A 45 VAL HGy% A 49 CYS HBy 1.0 0.0 3.21 1460 1045 A 45 VAL HGx% A 49 CYS HBy 1.0 0.0 3.21 1461 1045 A 49 CYS HBx A 45 VAL HGy% 1.0 0.0 3.21 1462 1045 A 45 VAL HGx% A 49 CYS HBx 1.0 0.0 3.21 1463 1046 A 50 PHE H A 45 VAL HGy% 1.0 0.0 4.17 1464 1046 A 50 PHE H A 45 VAL HGx% 1.0 0.0 4.17 1465 1047 A 45 VAL HGy% A 50 PHE HBx 1.0 0.0 5.00 1466 1047 A 45 VAL HGx% A 50 PHE HBx 1.0 0.0 5.00 1467 1047 A 50 PHE HBy A 45 VAL HGy% 1.0 0.0 5.00 1468 1047 A 45 VAL HGx% A 50 PHE HBy 1.0 0.0 5.00 1469 1048 A 50 PHE HD% A 45 VAL HGy% 1.0 0.0 3.68 1470 1048 A 50 PHE HD% A 45 VAL HGx% 1.0 0.0 3.68 1471 1049 A 50 PHE HE% A 45 VAL HGy% 1.0 0.0 3.42 1472 1049 A 50 PHE HE% A 45 VAL HGx% 1.0 0.0 3.42 1473 1050 A 50 PHE HZ A 45 VAL HGy% 1.0 0.0 4.95 1474 1050 A 45 VAL HGx% A 50 PHE HZ 1.0 0.0 4.95 1475 1051 A 51 ARG H A 45 VAL HGy% 1.0 0.0 5.44 1476 1051 A 51 ARG H A 45 VAL HGx% 1.0 0.0 5.44 1477 1052 A 46 GLU H A 46 GLU HBx 1.0 0.0 3.18 1478 1052 A 46 GLU H A 46 GLU HBy 1.0 0.0 3.18 1479 1053 A 46 GLU H A 46 GLU HGy 1.0 0.0 3.54 1480 1053 A 46 GLU H A 46 GLU HGx 1.0 0.0 3.54 1481 1054 A 46 GLU HA A 50 PHE HBx 1.0 0.0 3.73 1482 1054 A 46 GLU HA A 50 PHE HBy 1.0 0.0 3.73 1483 1055 A 47 GLU H A 46 GLU HBx 1.0 0.0 3.72 1484 1055 A 47 GLU H A 46 GLU HBy 1.0 0.0 3.72 1485 1056 A 50 PHE HD% A 46 GLU HBx 1.0 0.0 4.55 1486 1056 A 50 PHE HD% A 46 GLU HBy 1.0 0.0 4.55 1487 1057 A 47 GLU H A 46 GLU HGy 1.0 0.0 4.72 1488 1057 A 47 GLU H A 46 GLU HGx 1.0 0.0 4.72 1489 1058 A 46 GLU HGx A 50 PHE HBx 1.0 0.0 4.98 1490 1058 A 46 GLU HGy A 50 PHE HBx 1.0 0.0 4.98 1491 1058 A 50 PHE HBy A 46 GLU HGy 1.0 0.0 4.98 1492 1058 A 46 GLU HGx A 50 PHE HBy 1.0 0.0 4.98 1493 1059 A 50 PHE HD% A 46 GLU HGy 1.0 0.0 3.79 1494 1059 A 50 PHE HD% A 46 GLU HGx 1.0 0.0 3.79 1495 1060 A 50 PHE HE% A 46 GLU HGy 1.0 0.0 4.23 1496 1060 A 50 PHE HE% A 46 GLU HGx 1.0 0.0 4.23 1497 1061 A 47 GLU HA A 47 GLU HGy 1.0 0.0 3.48 1498 1061 A 47 GLU HA A 47 GLU HGx 1.0 0.0 3.48 1499 1062 A 47 GLU HBy A 47 GLU HGy 1.0 0.0 2.25 1500 1062 A 47 GLU HBx A 47 GLU HGy 1.0 0.0 2.25 1501 1062 A 47 GLU HGx A 47 GLU HBx 1.0 0.0 2.25 1502 1062 A 47 GLU HBy A 47 GLU HGx 1.0 0.0 2.25 1503 1063 A 47 GLU HBx A 57 LEU HDx% 1.0 0.0 3.00 1504 1063 A 47 GLU HBy A 57 LEU HDx% 1.0 0.0 3.00 1505 1063 A 57 LEU HDy% A 47 GLU HBx 1.0 0.0 3.00 1506 1063 A 57 LEU HDy% A 47 GLU HBy 1.0 0.0 3.00 1507 1064 A 47 GLU HGx A 57 LEU HDx% 1.0 0.0 3.36 1508 1064 A 47 GLU HGy A 57 LEU HDx% 1.0 0.0 3.36 1509 1064 A 57 LEU HDy% A 47 GLU HGy 1.0 0.0 3.36 1510 1064 A 57 LEU HDy% A 47 GLU HGx 1.0 0.0 3.36 1511 1065 A 50 PHE H A 49 CYS HBy 1.0 0.0 3.86 1512 1065 A 50 PHE H A 49 CYS HBx 1.0 0.0 3.86 1513 1066 A 50 PHE H A 50 PHE HBx 1.0 0.0 3.55 1514 1066 A 50 PHE H A 50 PHE HBy 1.0 0.0 3.55 1515 1067 A 51 ARG H A 50 PHE HBx 1.0 0.0 3.46 1516 1067 A 51 ARG H A 50 PHE HBy 1.0 0.0 3.46 1517 1068 A 51 ARG H A 51 ARG HBy 1.0 0.0 3.44 1518 1068 A 51 ARG H A 51 ARG HBx 1.0 0.0 3.44 1519 1069 A 51 ARG HA A 51 ARG HGy 1.0 0.0 3.54 1520 1069 A 51 ARG HA A 51 ARG HGx 1.0 0.0 3.54 1521 1070 A 51 ARG HE A 51 ARG HBy 1.0 0.0 4.03 1522 1070 A 51 ARG HE A 51 ARG HBx 1.0 0.0 4.03 1523 1071 A 52 SER H A 51 ARG HBy 1.0 0.0 3.06 1524 1071 A 52 SER H A 51 ARG HBx 1.0 0.0 3.06 1525 1072 A 52 SER H A 51 ARG HGy 1.0 0.0 3.74 1526 1072 A 52 SER H A 51 ARG HGx 1.0 0.0 3.74 1527 1073 A 54 ASP H A 53 CYS HBy 1.0 0.0 3.34 1528 1073 A 54 ASP H A 53 CYS HBx 1.0 0.0 3.34 1529 1074 A 57 LEU HG A 53 CYS HBy 1.0 0.0 4.71 1530 1074 A 57 LEU HG A 53 CYS HBx 1.0 0.0 4.71 1531 1075 A 53 CYS HBx A 57 LEU HDx% 1.0 0.0 3.04 1532 1075 A 53 CYS HBy A 57 LEU HDx% 1.0 0.0 3.04 1533 1075 A 57 LEU HDy% A 53 CYS HBy 1.0 0.0 3.04 1534 1075 A 57 LEU HDy% A 53 CYS HBx 1.0 0.0 3.04 1535 1076 A 54 ASP H A 57 LEU HBx 1.0 0.0 3.62 1536 1076 A 54 ASP H A 57 LEU HBy 1.0 0.0 3.62 1537 1077 A 54 ASP H A 58 LEU HBx 1.0 0.0 5.26 1538 1077 A 54 ASP H A 58 LEU HBy 1.0 0.0 5.26 1539 1078 A 54 ASP HA A 55 LEU HDy% 1.0 0.0 5.44 1540 1078 A 54 ASP HA A 55 LEU HDx% 1.0 0.0 5.44 1541 1079 A 54 ASP HA A 58 LEU HDy% 1.0 0.0 5.44 1542 1079 A 58 LEU HDx% A 54 ASP HA 1.0 0.0 5.44 1543 1080 A 56 ALA HA A 54 ASP HBx 1.0 0.0 5.24 1544 1080 A 56 ALA HA A 54 ASP HBy 1.0 0.0 5.24 1545 1081 A 55 LEU H A 55 LEU HDy% 1.0 0.0 3.40 1546 1081 A 55 LEU H A 55 LEU HDx% 1.0 0.0 3.40 1547 1082 A 55 LEU H A 58 LEU HDy% 1.0 0.0 5.16 1548 1082 A 55 LEU H A 58 LEU HDx% 1.0 0.0 5.16 1549 1083 A 55 LEU HA A 55 LEU HDy% 1.0 0.0 3.54 1550 1083 A 55 LEU HA A 55 LEU HDx% 1.0 0.0 3.54 1551 1084 A 55 LEU HA A 58 LEU HBx 1.0 0.0 3.82 1552 1084 A 55 LEU HA A 58 LEU HBy 1.0 0.0 3.82 1553 1085 A 55 LEU HA A 58 LEU HDy% 1.0 0.0 3.49 1554 1085 A 55 LEU HA A 58 LEU HDx% 1.0 0.0 3.49 1555 1086 A 55 LEU HBy A 58 LEU HDy% 1.0 0.0 4.96 1556 1086 A 55 LEU HBy A 58 LEU HDx% 1.0 0.0 4.96 1557 1087 A 56 ALA HA A 55 LEU HDy% 1.0 0.0 3.61 1558 1087 A 56 ALA HA A 55 LEU HDx% 1.0 0.0 3.61 1559 1088 A 56 ALA HB% A 55 LEU HDy% 1.0 0.0 4.50 1560 1088 A 56 ALA HB% A 55 LEU HDx% 1.0 0.0 4.50 1561 1089 A 59 GLU H A 55 LEU HDy% 1.0 0.0 5.44 1562 1089 A 59 GLU H A 55 LEU HDx% 1.0 0.0 5.44 1563 1090 A 59 GLU HBy A 55 LEU HDy% 1.0 0.0 5.31 1564 1090 A 59 GLU HBy A 55 LEU HDx% 1.0 0.0 5.31 1565 1091 A 56 ALA HB% A 57 LEU HBx 1.0 0.0 3.89 1566 1091 A 56 ALA HB% A 57 LEU HBy 1.0 0.0 3.89 1567 1092 A 57 LEU H A 57 LEU HBx 1.0 0.0 3.07 1568 1092 A 57 LEU H A 57 LEU HBy 1.0 0.0 3.07 1569 1093 A 57 LEU HBx A 57 LEU HDx% 1.0 0.0 2.69 1570 1093 A 57 LEU HDy% A 57 LEU HBx 1.0 0.0 2.69 1571 1093 A 57 LEU HDy% A 57 LEU HBy 1.0 0.0 2.69 1572 1093 A 57 LEU HBy A 57 LEU HDx% 1.0 0.0 2.69 1573 1094 A 58 LEU H A 58 LEU HBx 1.0 0.0 3.17 1574 1094 A 58 LEU H A 58 LEU HBy 1.0 0.0 3.17 1575 1095 A 58 LEU H A 58 LEU HDy% 1.0 0.0 4.08 1576 1095 A 58 LEU H A 58 LEU HDx% 1.0 0.0 4.08 1577 1096 A 58 LEU HA A 58 LEU HDy% 1.0 0.0 3.32 1578 1096 A 58 LEU HA A 58 LEU HDx% 1.0 0.0 3.32 1579 1097 A 58 LEU HBy A 58 LEU HDy% 1.0 0.0 2.72 1580 1097 A 58 LEU HBx A 58 LEU HDy% 1.0 0.0 2.72 1581 1097 A 58 LEU HDx% A 58 LEU HBx 1.0 0.0 2.72 1582 1097 A 58 LEU HDx% A 58 LEU HBy 1.0 0.0 2.72 1583 1098 A 59 GLU H A 58 LEU HBx 1.0 0.0 4.21 1584 1098 A 59 GLU H A 58 LEU HBy 1.0 0.0 4.21 1585 1099 A 59 GLU HA A 58 LEU HDy% 1.0 0.0 3.75 1586 1099 A 59 GLU HA A 58 LEU HDx% 1.0 0.0 3.75 1587 1100 A 59 GLU HBy A 58 LEU HDy% 1.0 0.0 4.63 1588 1100 A 59 GLU HBy A 58 LEU HDx% 1.0 0.0 4.63 1589 1101 A 58 LEU HDx% A 59 GLU HGy 1.0 0.0 4.94 1590 1101 A 58 LEU HDy% A 59 GLU HGy 1.0 0.0 4.94 1591 1101 A 59 GLU HGx A 58 LEU HDy% 1.0 0.0 4.94 1592 1101 A 58 LEU HDx% A 59 GLU HGx 1.0 0.0 4.94 1593 1102 A 60 THR HG2% A 58 LEU HDy% 1.0 0.0 5.44 1594 1102 A 60 THR HG2% A 58 LEU HDx% 1.0 0.0 5.44 1595 1103 A 61 TYR HD% A 58 LEU HDy% 1.0 0.0 4.57 1596 1103 A 61 TYR HD% A 58 LEU HDx% 1.0 0.0 4.57 1597 1104 A 59 GLU H A 59 GLU HGy 1.0 0.0 4.12 1598 1104 A 59 GLU H A 59 GLU HGx 1.0 0.0 4.12 1599 1105 A 59 GLU HA A 59 GLU HGy 1.0 0.0 3.20 1600 1105 A 59 GLU HA A 59 GLU HGx 1.0 0.0 3.20 1601 1106 A 60 THR H A 59 GLU HGy 1.0 0.0 5.31 1602 1106 A 60 THR H A 59 GLU HGx 1.0 0.0 5.31 1603 1107 A 61 TYR H A 61 TYR HBx 1.0 0.0 3.63 1604 1107 A 61 TYR H A 61 TYR HBy 1.0 0.0 3.63 1605 1108 A 62 CYS H A 61 TYR HBx 1.0 0.0 4.03 1606 1108 A 62 CYS H A 61 TYR HBy 1.0 0.0 4.03 1607 1109 A 62 CYS H A 62 CYS HBy 1.0 0.0 3.33 1608 1109 A 62 CYS H A 62 CYS HBx 1.0 0.0 3.33 1609 1110 A 63 ALA HB% A 62 CYS HBy 1.0 0.0 4.73 1610 1110 A 63 ALA HB% A 62 CYS HBx 1.0 0.0 4.73 1611 1111 A 64 THR H A 62 CYS HBy 1.0 0.0 4.56 1612 1111 A 64 THR H A 62 CYS HBx 1.0 0.0 4.56 1613 1112 A 64 THR H A 65 PRO HDy 1.0 0.0 4.50 1614 1112 A 64 THR H A 65 PRO HDx 1.0 0.0 4.50 1615 1113 A 64 THR HB A 65 PRO HDy 1.0 0.0 3.27 1616 1113 A 64 THR HB A 65 PRO HDx 1.0 0.0 3.27 1617 1114 A 64 THR HG2% A 65 PRO HDy 1.0 0.0 3.07 1618 1114 A 64 THR HG2% A 65 PRO HDx 1.0 0.0 3.07 1619 1115 A 67 LYS H A 67 LYS HBy 1.0 0.0 3.01 1620 1115 A 67 LYS H A 67 LYS HBx 1.0 0.0 3.01 1621 1116 A 69 GLU H A 69 GLU HBy 1.0 0.0 3.64 1622 1116 A 69 GLU H A 69 GLU HBx 1.0 0.0 3.64 1623 1117 A 69 GLU HBy A 69 GLU HGx 1.0 0.0 2.31 1624 1117 A 69 GLU HBx A 69 GLU HGx 1.0 0.0 2.31 1625 1117 A 69 GLU HGy A 69 GLU HBy 1.0 0.0 2.31 1626 1117 A 69 GLU HBx A 69 GLU HGy 1.0 0.0 2.31 1627 1118 A 9 CYS SG A 49 CYS SG 1.0 0.0 2.10 1628 1119 A 9 CYS SG A 49 CYS CB 1.0 0.0 3.10 1629 1120 A 49 CYS SG A 9 CYS CB 1.0 0.0 3.10 1630 1121 A 21 CYS SG A 62 CYS SG 1.0 0.0 2.10 1631 1122 A 21 CYS SG A 62 CYS CB 1.0 0.0 3.10 1632 1123 A 62 CYS SG A 21 CYS CB 1.0 0.0 3.10 1633 1124 A 48 CYS SG A 53 CYS SG 1.0 0.0 2.10 1634 1125 A 48 CYS SG A 53 CYS CB 1.0 0.0 3.10 1635 1126 A 53 CYS SG A 48 CYS CB 1.0 0.0 3.10 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 11 GLY C A 12 GLU N A 12 GLU CA A 12 GLU C 1.0 -74.0 -46.0 PHI 2 2 A 12 GLU N A 12 GLU CA A 12 GLU C A 13 LEU N 1.0 -59.0 -19.0 PSI 3 3 A 12 GLU C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -99.0 -39.0 PHI 4 4 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 VAL N 1.0 -75.0 1.0 PSI 5 5 A 13 LEU C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -71.0 -51.0 PHI 6 6 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 ASP N 1.0 -56.0 -32.0 PSI 7 7 A 14 VAL C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -72.0 -52.0 PHI 8 8 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 THR N 1.0 -54.0 -22.0 PSI 9 9 A 15 ASP C A 16 THR N A 16 THR CA A 16 THR C 1.0 -83.0 -51.0 PHI 10 10 A 16 THR N A 16 THR CA A 16 THR C A 17 LEU N 1.0 -55.0 -27.0 PSI 11 11 A 16 THR C A 17 LEU N A 17 LEU CA A 17 LEU C 1.0 -72.0 -52.0 PHI 12 12 A 17 LEU N A 17 LEU CA A 17 LEU C A 18 GLN N 1.0 -57.0 -37.0 PSI 13 13 A 17 LEU C A 18 GLN N A 18 GLN CA A 18 GLN C 1.0 -74.0 -50.0 PHI 14 14 A 18 GLN N A 18 GLN CA A 18 GLN C A 19 PHE N 1.0 -53.0 -33.0 PSI 15 15 A 18 GLN C A 19 PHE N A 19 PHE CA A 19 PHE C 1.0 -74.0 -46.0 PHI 16 16 A 19 PHE N A 19 PHE CA A 19 PHE C A 20 VAL N 1.0 -54.0 -34.0 PSI 17 17 A 22 GLY C A 23 ASP N A 23 ASP CA A 23 ASP C 1.0 -90.0 -42.0 PHI 18 18 A 23 ASP N A 23 ASP CA A 23 ASP C A 24 ARG N 1.0 -57.0 15.0 PSI 19 19 A 23 ASP C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -94.0 -46.0 PHI 20 20 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 GLY N 1.0 -50.0 -2.0 PSI 21 21 A 25 GLY C A 26 PHE N A 26 PHE CA A 26 PHE C 1.0 -167.0 -95.0 PHI 22 22 A 26 PHE N A 26 PHE CA A 26 PHE C A 27 TYR N 1.0 123.0 179.0 PSI 23 23 A 26 PHE C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -181.0 -93.0 PHI 24 24 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 PHE N 1.0 130.0 186.0 PSI 25 25 A 43 GLY C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -90.0 -38.0 PHI 26 26 A 44 ILE N A 44 ILE CA A 44 ILE C A 45 VAL N 1.0 -57.0 -9.0 PSI 27 27 A 44 ILE C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -75.0 -51.0 PHI 28 28 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 GLU N 1.0 -51.0 -31.0 PSI 29 29 A 45 VAL C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -73.0 -49.0 PHI 30 30 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 GLU N 1.0 -54.0 -34.0 PSI 31 31 A 46 GLU C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -120.0 -64.0 PHI 32 32 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 CYS N 1.0 -73.0 27.0 PSI 33 33 A 54 ASP C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -78.0 -46.0 PHI 34 34 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 ALA N 1.0 -53.0 -25.0 PSI 35 35 A 55 LEU C A 56 ALA N A 56 ALA CA A 56 ALA C 1.0 -92.0 -36.0 PHI 36 36 A 56 ALA N A 56 ALA CA A 56 ALA C A 57 LEU N 1.0 -63.0 -19.0 PSI 37 37 A 56 ALA C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -74.0 -54.0 PHI 38 38 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 LEU N 1.0 -55.0 -31.0 PSI 39 39 A 57 LEU C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -73.0 -49.0 PHI 40 40 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 GLU N 1.0 -57.0 -33.0 PSI 41 41 A 58 LEU C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -77.0 -53.0 PHI 42 42 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 THR N 1.0 -60.0 -8.0 PSI 43 43 A 59 GLU C A 60 THR N A 60 THR CA A 60 THR C 1.0 -89.0 -53.0 PHI 44 44 A 60 THR N A 60 THR CA A 60 THR C A 61 TYR N 1.0 -53.0 -21.0 PSI 45 45 A 60 THR C A 61 TYR N A 61 TYR CA A 61 TYR C 1.0 -115.0 -59.0 PHI 46 46 A 61 TYR N A 61 TYR CA A 61 TYR C A 62 CYS N 1.0 -66.0 2.0 PSI stop_ save_