data_nef_c15407_2jte 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 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly 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 GLY start . false 2 A 2 ALA middle . . 3 A 3 MET middle . . 4 A 4 GLY middle . false 5 A 5 ALA middle . . 6 A 6 LYS middle . . 7 A 7 GLU middle . . 8 A 8 TYR middle . . 9 A 9 CYS middle . . 10 A 10 ARG middle . . 11 A 11 THR middle . . 12 A 12 LEU middle . . 13 A 13 PHE middle . . 14 A 14 PRO middle . false 15 A 15 TYR middle . . 16 A 16 THR middle . . 17 A 17 GLY middle . false 18 A 18 THR middle . . 19 A 19 ASN middle . . 20 A 20 GLU middle . . 21 A 21 ASP middle . . 22 A 22 GLU middle . . 23 A 23 LEU middle . . 24 A 24 THR middle . . 25 A 25 PHE middle . . 26 A 26 ARG middle . . 27 A 27 GLU middle . . 28 A 28 GLY middle . false 29 A 29 GLU middle . . 30 A 30 ILE middle . . 31 A 31 ILE middle . . 32 A 32 HIS middle . . 33 A 33 LEU middle . . 34 A 34 ILE middle . . 35 A 35 SER middle . . 36 A 36 LYS middle . . 37 A 37 GLU middle . . 38 A 38 THR middle . . 39 A 39 GLY middle . false 40 A 40 GLU middle . . 41 A 41 ALA middle . . 42 A 42 GLY middle . false 43 A 43 TRP middle . . 44 A 44 TRP middle . . 45 A 45 LYS middle . . 46 A 46 GLY middle . false 47 A 47 GLU middle . . 48 A 48 LEU middle . . 49 A 49 ASN middle . . 50 A 50 GLY middle . false 51 A 51 LYS middle . . 52 A 52 GLU middle . . 53 A 53 GLY middle . false 54 A 54 VAL middle . . 55 A 55 PHE middle . . 56 A 56 PRO middle . false 57 A 57 ASP middle . . 58 A 58 ASN middle . . 59 A 59 PHE middle . . 60 A 60 ALA middle . . 61 A 61 VAL middle . . 62 A 62 GLN middle . . 63 A 63 ILE middle . . 64 A 64 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_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 GLY HAx H 1 3.849 0.015 A 1 GLY HAy H 1 3.849 0.015 A 1 GLY C C 13 169.870 0.05 A 1 GLY CA C 13 43.291 0.05 A 2 ALA H H 1 8.628 0.015 A 2 ALA HA H 1 4.362 0.015 A 2 ALA HB% H 1 1.386 0.015 A 2 ALA C C 13 177.910 0.05 A 2 ALA CA C 13 52.582 0.05 A 2 ALA CB C 13 19.405 0.05 A 2 ALA N N 15 123.924 0.05 A 3 MET H H 1 8.552 0.015 A 3 MET HA H 1 4.465 0.015 A 3 MET HBx H 1 2.034 0.015 A 3 MET HBy H 1 2.034 0.015 A 3 MET HGx H 1 2.563 0.015 A 3 MET HGy H 1 2.563 0.015 A 3 MET C C 13 176.836 0.05 A 3 MET CA C 13 55.707 0.05 A 3 MET CB C 13 32.762 0.05 A 3 MET CG C 13 32.016 0.05 A 3 MET N N 15 120.310 0.05 A 4 GLY H H 1 8.402 0.015 A 4 GLY HAx H 1 3.938 0.015 A 4 GLY HAy H 1 3.938 0.015 A 4 GLY C C 13 173.800 0.05 A 4 GLY CA C 13 45.291 0.05 A 4 GLY N N 15 110.627 0.05 A 5 ALA H H 1 8.175 0.015 A 5 ALA HA H 1 4.339 0.015 A 5 ALA HB% H 1 1.389 0.015 A 5 ALA C C 13 174.182 0.05 A 5 ALA CA C 13 52.554 0.05 A 5 ALA CB C 13 19.466 0.05 A 5 ALA N N 15 123.635 0.05 A 6 LYS H H 1 8.408 0.015 A 6 LYS HA H 1 4.275 0.015 A 6 LYS HBy H 1 1.720 0.015 A 6 LYS HBx H 1 1.573 0.015 A 6 LYS HDx H 1 1.598 0.015 A 6 LYS HDy H 1 1.598 0.015 A 6 LYS HEx H 1 2.958 0.015 A 6 LYS HEy H 1 2.958 0.015 A 6 LYS HGx H 1 1.304 0.015 A 6 LYS HGy H 1 1.304 0.015 A 6 LYS C C 13 175.549 0.05 A 6 LYS CA C 13 56.125 0.05 A 6 LYS CB C 13 33.079 0.05 A 6 LYS CD C 13 29.300 0.05 A 6 LYS CE C 13 42.139 0.05 A 6 LYS CG C 13 25.227 0.05 A 6 LYS N N 15 120.889 0.05 A 7 GLU H H 1 8.440 0.015 A 7 GLU HA H 1 4.604 0.015 A 7 GLU HBx H 1 1.952 0.015 A 7 GLU HBy H 1 1.952 0.015 A 7 GLU HGy H 1 2.407 0.015 A 7 GLU HGx H 1 2.309 0.015 A 7 GLU C C 13 174.834 0.05 A 7 GLU CA C 13 54.862 0.05 A 7 GLU CB C 13 30.213 0.05 A 7 GLU CG C 13 33.012 0.05 A 7 GLU N N 15 120.166 0.05 A 8 TYR H H 1 8.766 0.015 A 8 TYR HA H 1 5.534 0.015 A 8 TYR HBy H 1 2.914 0.015 A 8 TYR HBx H 1 2.667 0.015 A 8 TYR HD1 H 1 6.942 0.015 A 8 TYR HD2 H 1 6.942 0.015 A 8 TYR HE1 H 1 6.563 0.015 A 8 TYR HE2 H 1 6.563 0.015 A 8 TYR C C 13 175.138 0.05 A 8 TYR CA C 13 56.797 0.05 A 8 TYR CB C 13 42.677 0.05 A 8 TYR CDx C 13 133.303 0.05 A 8 TYR CDy C 13 133.303 0.05 A 8 TYR CEx C 13 117.571 0.05 A 8 TYR CEy C 13 117.571 0.05 A 8 TYR N N 15 120.310 0.05 A 9 CYS H H 1 9.291 0.015 A 9 CYS HA H 1 5.537 0.015 A 9 CYS HBy H 1 2.777 0.015 A 9 CYS HBx H 1 2.667 0.015 A 9 CYS C C 13 171.187 0.05 A 9 CYS CA C 13 55.759 0.05 A 9 CYS CB C 13 32.451 0.05 A 9 CYS N N 15 114.818 0.05 A 10 ARG H H 1 9.127 0.015 A 10 ARG HA H 1 5.412 0.015 A 10 ARG HBy H 1 1.648 0.015 A 10 ARG HBx H 1 1.482 0.015 A 10 ARG HDx H 1 3.105 0.015 A 10 ARG HDy H 1 3.105 0.015 A 10 ARG HGx H 1 1.289 0.015 A 10 ARG HGy H 1 1.289 0.015 A 10 ARG C C 13 176.421 0.05 A 10 ARG CA C 13 53.632 0.05 A 10 ARG CB C 13 33.112 0.05 A 10 ARG CD C 13 43.018 0.05 A 10 ARG CG C 13 27.696 0.05 A 10 ARG N N 15 122.912 0.05 A 11 THR H H 1 9.085 0.015 A 11 THR HA H 1 4.413 0.015 A 11 THR HB H 1 4.413 0.015 A 11 THR HG2% H 1 0.010 0.015 A 11 THR C C 13 176.330 0.05 A 11 THR CA C 13 61.260 0.05 A 11 THR CB C 13 69.675 0.05 A 11 THR CG2 C 13 22.848 0.05 A 11 THR N N 15 117.420 0.05 A 12 LEU H H 1 9.203 0.015 A 12 LEU HA H 1 4.111 0.015 A 12 LEU HBy H 1 0.971 0.015 A 12 LEU HBx H 1 0.730 0.015 A 12 LEU HDx% H 1 0.669 0.015 A 12 LEU HDy% H 1 0.669 0.015 A 12 LEU HG H 1 1.276 0.015 A 12 LEU C C 13 175.271 0.05 A 12 LEU CA C 13 55.469 0.05 A 12 LEU CB C 13 44.816 0.05 A 12 LEU CD1 C 13 25.402 0.05 A 12 LEU CD2 C 13 22.218 0.05 A 12 LEU CG C 13 26.912 0.05 A 12 LEU N N 15 125.514 0.05 A 13 PHE H H 1 7.476 0.015 A 13 PHE HA H 1 5.019 0.015 A 13 PHE HBy H 1 3.326 0.015 A 13 PHE HBx H 1 2.455 0.015 A 13 PHE HD1 H 1 6.909 0.015 A 13 PHE HD2 H 1 6.909 0.015 A 13 PHE HE1 H 1 7.225 0.015 A 13 PHE HE2 H 1 7.225 0.015 A 13 PHE CA C 13 53.627 0.05 A 13 PHE CB C 13 42.101 0.05 A 13 PHE CDx C 13 132.682 0.05 A 13 PHE CDy C 13 132.682 0.05 A 13 PHE CEx C 13 131.041 0.05 A 13 PHE CEy C 13 131.041 0.05 A 13 PHE N N 15 114.674 0.05 A 14 PRO HA H 1 4.686 0.015 A 14 PRO HBy H 1 2.390 0.015 A 14 PRO HBx H 1 2.087 0.015 A 14 PRO HDx H 1 3.837 0.015 A 14 PRO HDy H 1 3.837 0.015 A 14 PRO HGx H 1 2.188 0.015 A 14 PRO HGy H 1 2.188 0.015 A 14 PRO C C 13 175.198 0.05 A 14 PRO CA C 13 62.455 0.05 A 14 PRO CB C 13 32.507 0.05 A 14 PRO CD C 13 49.756 0.05 A 14 PRO CG C 13 27.341 0.05 A 15 TYR H H 1 8.055 0.015 A 15 TYR HA H 1 4.387 0.015 A 15 TYR HBy H 1 2.387 0.015 A 15 TYR HBx H 1 1.086 0.015 A 15 TYR HD1 H 1 6.607 0.015 A 15 TYR HD2 H 1 6.607 0.015 A 15 TYR HE1 H 1 6.702 0.015 A 15 TYR HE2 H 1 6.702 0.015 A 15 TYR C C 13 173.553 0.05 A 15 TYR CA C 13 58.119 0.05 A 15 TYR CB C 13 42.601 0.05 A 15 TYR CDx C 13 133.354 0.05 A 15 TYR CDy C 13 133.354 0.05 A 15 TYR CEx C 13 117.540 0.05 A 15 TYR CEy C 13 117.540 0.05 A 15 TYR N N 15 121.033 0.05 A 16 THR H H 1 7.622 0.015 A 16 THR HA H 1 4.193 0.015 A 16 THR HB H 1 3.694 0.015 A 16 THR HG2% H 1 1.041 0.015 A 16 THR C C 13 172.791 0.05 A 16 THR CA C 13 60.752 0.05 A 16 THR CB C 13 69.649 0.05 A 16 THR CG2 C 13 21.356 0.05 A 16 THR N N 15 124.068 0.05 A 17 GLY H H 1 8.088 0.015 A 17 GLY HAy H 1 3.981 0.015 A 17 GLY HAx H 1 3.531 0.015 A 17 GLY C C 13 174.267 0.05 A 17 GLY CA C 13 45.958 0.05 A 17 GLY N N 15 115.396 0.05 A 18 THR H H 1 8.149 0.015 A 18 THR HA H 1 4.346 0.015 A 18 THR HB H 1 4.346 0.015 A 18 THR HG2% H 1 1.166 0.015 A 18 THR C C 13 174.114 0.05 A 18 THR CA C 13 61.741 0.05 A 18 THR CB C 13 69.585 0.05 A 18 THR CG2 C 13 21.531 0.05 A 18 THR N N 15 111.349 0.05 A 19 ASN H H 1 7.578 0.015 A 19 ASN HA H 1 4.825 0.015 A 19 ASN HBx H 1 2.779 0.015 A 19 ASN HBy H 1 2.779 0.015 A 19 ASN HD2y H 1 7.408 0.015 A 19 ASN HD2x H 1 6.691 0.015 A 19 ASN C C 13 175.910 0.05 A 19 ASN CA C 13 52.196 0.05 A 19 ASN CB C 13 40.720 0.05 A 19 ASN N N 15 117.131 0.05 A 19 ASN ND2 N 15 113.510 0.05 A 20 GLU H H 1 8.769 0.015 A 20 GLU HA H 1 4.279 0.015 A 20 GLU HBx H 1 2.173 0.015 A 20 GLU HBy H 1 2.173 0.015 A 20 GLU HGx H 1 2.566 0.015 A 20 GLU HGy H 1 2.566 0.015 A 20 GLU C C 13 176.040 0.05 A 20 GLU CA C 13 57.931 0.05 A 20 GLU CB C 13 27.911 0.05 A 20 GLU CG C 13 32.666 0.05 A 20 GLU N N 15 119.154 0.05 A 21 ASP H H 1 8.709 0.015 A 21 ASP HA H 1 4.930 0.015 A 21 ASP HBx H 1 3.071 0.015 A 21 ASP HBy H 1 3.071 0.015 A 21 ASP C C 13 175.032 0.05 A 21 ASP CA C 13 53.266 0.05 A 21 ASP CB C 13 38.252 0.05 A 21 ASP N N 15 116.553 0.05 A 22 GLU H H 1 7.681 0.015 A 22 GLU HA H 1 5.300 0.015 A 22 GLU HBy H 1 2.597 0.015 A 22 GLU HBx H 1 2.275 0.015 A 22 GLU HGx H 1 2.597 0.015 A 22 GLU HGy H 1 2.597 0.015 A 22 GLU C C 13 176.399 0.05 A 22 GLU CA C 13 54.386 0.05 A 22 GLU CB C 13 31.140 0.05 A 22 GLU CG C 13 33.373 0.05 A 22 GLU N N 15 119.010 0.05 A 23 LEU H H 1 8.450 0.015 A 23 LEU HA H 1 4.547 0.015 A 23 LEU HBy H 1 1.692 0.015 A 23 LEU HBx H 1 1.573 0.015 A 23 LEU HDx% H 1 0.900 0.015 A 23 LEU HDy% H 1 0.900 0.015 A 23 LEU HG H 1 0.876 0.015 A 23 LEU C C 13 173.579 0.05 A 23 LEU CA C 13 54.375 0.05 A 23 LEU CB C 13 44.902 0.05 A 23 LEU CD1 C 13 23.268 0.05 A 23 LEU CD2 C 13 23.268 0.05 A 23 LEU CG C 13 25.375 0.05 A 23 LEU N N 15 122.623 0.05 A 24 THR H H 1 7.584 0.015 A 24 THR HA H 1 4.639 0.015 A 24 THR HB H 1 3.952 0.015 A 24 THR HG2% H 1 1.324 0.015 A 24 THR C C 13 174.112 0.05 A 24 THR CA C 13 61.804 0.05 A 24 THR CB C 13 72.148 0.05 A 24 THR CG2 C 13 21.725 0.05 A 24 THR N N 15 114.818 0.05 A 25 PHE H H 1 8.839 0.015 A 25 PHE HA H 1 5.018 0.015 A 25 PHE HBy H 1 3.254 0.015 A 25 PHE HBx H 1 3.127 0.015 A 25 PHE HD1 H 1 6.775 0.015 A 25 PHE HD2 H 1 6.775 0.015 A 25 PHE C C 13 175.829 0.05 A 25 PHE CA C 13 55.411 0.05 A 25 PHE CB C 13 40.288 0.05 A 25 PHE N N 15 119.299 0.05 A 26 ARG H H 1 8.309 0.015 A 26 ARG HA H 1 4.659 0.015 A 26 ARG HBy H 1 2.108 0.015 A 26 ARG HBx H 1 1.714 0.015 A 26 ARG HDx H 1 3.232 0.015 A 26 ARG HDy H 1 3.232 0.015 A 26 ARG HE H 1 7.209 0.015 A 26 ARG HGx H 1 1.704 0.015 A 26 ARG HGy H 1 1.704 0.015 A 26 ARG C C 13 176.707 0.05 A 26 ARG CA C 13 54.301 0.05 A 26 ARG CB C 13 31.906 0.05 A 26 ARG CD C 13 43.104 0.05 A 26 ARG CG C 13 27.411 0.05 A 26 ARG N N 15 119.003 0.05 A 26 ARG NE N 15 84.177 0.05 A 27 GLU H H 1 8.776 0.015 A 27 GLU HA H 1 3.622 0.015 A 27 GLU HBy H 1 1.922 0.015 A 27 GLU HBx H 1 1.717 0.015 A 27 GLU HGx H 1 2.372 0.015 A 27 GLU HGy H 1 2.372 0.015 A 27 GLU C C 13 175.159 0.05 A 27 GLU CA C 13 57.651 0.05 A 27 GLU CB C 13 28.174 0.05 A 27 GLU CG C 13 32.728 0.05 A 27 GLU N N 15 121.033 0.05 A 28 GLY H H 1 8.312 0.015 A 28 GLY HAx H 1 3.513 0.015 A 28 GLY HAy H 1 4.017 0.015 A 28 GLY C C 13 174.416 0.05 A 28 GLY CA C 13 45.953 0.05 A 28 GLY N N 15 113.807 0.05 A 29 GLU H H 1 8.039 0.015 A 29 GLU HA H 1 4.547 0.015 A 29 GLU HBy H 1 2.022 0.015 A 29 GLU HBx H 1 1.743 0.015 A 29 GLU HGx H 1 2.302 0.015 A 29 GLU HGy H 1 2.302 0.015 A 29 GLU C C 13 178.009 0.05 A 29 GLU CA C 13 55.509 0.05 A 29 GLU CB C 13 30.777 0.05 A 29 GLU CG C 13 34.915 0.05 A 29 GLU N N 15 118.721 0.05 A 30 ILE H H 1 8.403 0.015 A 30 ILE HA H 1 4.890 0.015 A 30 ILE HB H 1 1.864 0.015 A 30 ILE HD1% H 1 0.663 0.015 A 30 ILE HG12 H 1 1.190 0.015 A 30 ILE HG13 H 1 1.428 0.015 A 30 ILE HG2% H 1 0.775 0.015 A 30 ILE C C 13 175.584 0.05 A 30 ILE CA C 13 59.167 0.05 A 30 ILE CB C 13 37.270 0.05 A 30 ILE CD1 C 13 11.115 0.05 A 30 ILE CG1 C 13 26.996 0.05 A 30 ILE CG2 C 13 17.946 0.05 A 30 ILE N N 15 120.889 0.05 A 31 ILE H H 1 9.036 0.015 A 31 ILE HA H 1 4.260 0.015 A 31 ILE HB H 1 1.514 0.015 A 31 ILE HD1% H 1 -0.473 0.015 A 31 ILE HG12 H 1 0.990 0.015 A 31 ILE HG13 H 1 0.546 0.015 A 31 ILE HG2% H 1 0.546 0.015 A 31 ILE C C 13 176.042 0.05 A 31 ILE CA C 13 59.920 0.05 A 31 ILE CB C 13 41.399 0.05 A 31 ILE CD1 C 13 13.614 0.05 A 31 ILE CG1 C 13 28.238 0.05 A 31 ILE CG2 C 13 17.267 0.05 A 31 ILE N N 15 126.814 0.05 A 32 HIS H H 1 8.629 0.015 A 32 HIS HA H 1 4.820 0.015 A 32 HIS HBx H 1 3.398 0.015 A 32 HIS HBy H 1 3.398 0.015 A 32 HIS HD2 H 1 7.748 0.015 A 32 HIS HE1 H 1 8.746 0.015 A 32 HIS C C 13 173.344 0.05 A 32 HIS CA C 13 53.746 0.05 A 32 HIS CB C 13 28.892 0.05 A 32 HIS CD2 C 13 119.100 0.05 A 32 HIS CE1 C 13 136.585 0.05 A 32 HIS N N 15 125.225 0.05 A 33 LEU H H 1 8.738 0.015 A 33 LEU HA H 1 4.157 0.015 A 33 LEU HBy H 1 1.432 0.015 A 33 LEU HBx H 1 1.197 0.015 A 33 LEU HDx% H 1 0.552 0.015 A 33 LEU HDy% H 1 0.552 0.015 A 33 LEU HG H 1 0.384 0.015 A 33 LEU C C 13 173.990 0.05 A 33 LEU CA C 13 55.896 0.05 A 33 LEU CB C 13 42.951 0.05 A 33 LEU CD1 C 13 24.041 0.05 A 33 LEU CD2 C 13 24.041 0.05 A 33 LEU CG C 13 25.292 0.05 A 33 LEU N N 15 132.885 0.05 A 34 ILE H H 1 8.821 0.015 A 34 ILE HA H 1 3.932 0.015 A 34 ILE HB H 1 1.299 0.015 A 34 ILE HD1% H 1 0.553 0.015 A 34 ILE HG12 H 1 1.202 0.015 A 34 ILE HG13 H 1 1.056 0.015 A 34 ILE HG2% H 1 0.767 0.015 A 34 ILE C C 13 176.191 0.05 A 34 ILE CA C 13 61.337 0.05 A 34 ILE CB C 13 38.741 0.05 A 34 ILE CD1 C 13 11.363 0.05 A 34 ILE CG1 C 13 27.188 0.05 A 34 ILE CG2 C 13 16.812 0.05 A 34 ILE N N 15 125.947 0.05 A 35 SER H H 1 7.640 0.015 A 35 SER HA H 1 4.417 0.015 A 35 SER HBy H 1 3.932 0.015 A 35 SER HBx H 1 3.307 0.015 A 35 SER C C 13 173.397 0.05 A 35 SER CA C 13 57.610 0.05 A 35 SER CB C 13 65.098 0.05 A 35 SER N N 15 109.326 0.05 A 36 LYS H H 1 8.742 0.015 A 36 LYS HA H 1 4.237 0.015 A 36 LYS HBx H 1 1.812 0.015 A 36 LYS HBy H 1 1.812 0.015 A 36 LYS HDx H 1 1.202 0.015 A 36 LYS HDy H 1 1.202 0.015 A 36 LYS HEy H 1 2.402 0.015 A 36 LYS HEx H 1 2.043 0.015 A 36 LYS HGy H 1 0.753 0.015 A 36 LYS HGx H 1 -0.700 0.015 A 36 LYS C C 13 175.204 0.05 A 36 LYS CA C 13 56.513 0.05 A 36 LYS CB C 13 33.039 0.05 A 36 LYS CD C 13 29.634 0.05 A 36 LYS CE C 13 42.057 0.05 A 36 LYS CG C 13 25.350 0.05 A 36 LYS N N 15 124.936 0.05 A 37 GLU H H 1 8.414 0.015 A 37 GLU HA H 1 4.877 0.015 A 37 GLU HBy H 1 2.064 0.015 A 37 GLU HBx H 1 1.917 0.015 A 37 GLU HGx H 1 2.403 0.015 A 37 GLU HGy H 1 2.403 0.015 A 37 GLU C C 13 175.536 0.05 A 37 GLU CA C 13 54.617 0.05 A 37 GLU CB C 13 28.498 0.05 A 37 GLU CG C 13 32.539 0.05 A 37 GLU N N 15 120.599 0.05 A 38 THR H H 1 8.813 0.015 A 38 THR HA H 1 4.431 0.015 A 38 THR HB H 1 4.431 0.015 A 38 THR HG2% H 1 1.109 0.015 A 38 THR C C 13 175.560 0.05 A 38 THR CA C 13 61.129 0.05 A 38 THR CB C 13 71.073 0.05 A 38 THR CG2 C 13 22.178 0.05 A 38 THR N N 15 113.951 0.05 A 39 GLY H H 1 8.647 0.015 A 39 GLY HAy H 1 4.256 0.015 A 39 GLY HAx H 1 3.683 0.015 A 39 GLY C C 13 173.034 0.05 A 39 GLY CA C 13 45.137 0.05 A 39 GLY N N 15 110.916 0.05 A 40 GLU H H 1 7.605 0.015 A 40 GLU HA H 1 4.561 0.015 A 40 GLU HBy H 1 1.767 0.015 A 40 GLU HBx H 1 1.582 0.015 A 40 GLU HGx H 1 2.184 0.015 A 40 GLU HGy H 1 2.184 0.015 A 40 GLU C C 13 174.928 0.05 A 40 GLU CA C 13 53.983 0.05 A 40 GLU CB C 13 29.954 0.05 A 40 GLU CG C 13 32.271 0.05 A 40 GLU N N 15 119.879 0.05 A 41 ALA H H 1 8.827 0.015 A 41 ALA HA H 1 4.289 0.015 A 41 ALA HB% H 1 1.438 0.015 A 41 ALA C C 13 179.103 0.05 A 41 ALA CA C 13 54.008 0.05 A 41 ALA CB C 13 18.042 0.05 A 41 ALA N N 15 130.572 0.05 A 42 GLY H H 1 9.093 0.015 A 42 GLY HAy H 1 4.130 0.015 A 42 GLY HAx H 1 3.527 0.015 A 42 GLY C C 13 173.983 0.05 A 42 GLY CA C 13 45.165 0.05 A 42 GLY N N 15 109.615 0.05 A 43 TRP H H 1 7.763 0.015 A 43 TRP HA H 1 4.742 0.015 A 43 TRP HBy H 1 2.974 0.015 A 43 TRP HBx H 1 2.790 0.015 A 43 TRP HD1 H 1 7.069 0.015 A 43 TRP HE1 H 1 10.041 0.015 A 43 TRP HE3 H 1 7.132 0.015 A 43 TRP HH2 H 1 7.236 0.015 A 43 TRP HZ2 H 1 7.353 0.015 A 43 TRP HZ3 H 1 6.903 0.015 A 43 TRP C C 13 174.947 0.05 A 43 TRP CA C 13 56.846 0.05 A 43 TRP CB C 13 30.289 0.05 A 43 TRP CH2 C 13 123.656 0.05 A 43 TRP CZ2 C 13 114.379 0.05 A 43 TRP CZ3 C 13 120.499 0.05 A 43 TRP N N 15 121.033 0.05 A 43 TRP NE1 N 15 130.280 0.05 A 44 TRP H H 1 8.442 0.015 A 44 TRP HA H 1 5.129 0.015 A 44 TRP HBy H 1 2.787 0.015 A 44 TRP HBx H 1 1.935 0.015 A 44 TRP HD1 H 1 7.262 0.015 A 44 TRP HE1 H 1 10.352 0.015 A 44 TRP HE3 H 1 7.450 0.015 A 44 TRP HH2 H 1 7.260 0.015 A 44 TRP HZ2 H 1 7.511 0.015 A 44 TRP HZ3 H 1 6.768 0.015 A 44 TRP C C 13 173.600 0.05 A 44 TRP CA C 13 52.677 0.05 A 44 TRP CB C 13 33.670 0.05 A 44 TRP CD1 C 13 124.665 0.05 A 44 TRP CE3 C 13 121.050 0.05 A 44 TRP CZ2 C 13 114.365 0.05 A 44 TRP CZ3 C 13 120.967 0.05 A 44 TRP N N 15 123.635 0.05 A 44 TRP NE1 N 15 129.130 0.05 A 45 LYS H H 1 8.802 0.015 A 45 LYS HA H 1 5.232 0.015 A 45 LYS HBy H 1 1.726 0.015 A 45 LYS HBx H 1 1.582 0.015 A 45 LYS HDx H 1 1.582 0.015 A 45 LYS HDy H 1 1.582 0.015 A 45 LYS HEx H 1 2.857 0.015 A 45 LYS HEy H 1 2.857 0.015 A 45 LYS HGy H 1 1.300 0.015 A 45 LYS HGx H 1 1.222 0.015 A 45 LYS C C 13 176.287 0.05 A 45 LYS CA C 13 54.996 0.05 A 45 LYS CB C 13 35.677 0.05 A 45 LYS CD C 13 29.563 0.05 A 45 LYS CE C 13 41.915 0.05 A 45 LYS CG C 13 25.747 0.05 A 45 LYS N N 15 118.287 0.05 A 46 GLY H H 1 9.568 0.015 A 46 GLY HAy H 1 5.137 0.015 A 46 GLY HAx H 1 3.764 0.015 A 46 GLY C C 13 169.537 0.05 A 46 GLY CA C 13 45.375 0.05 A 46 GLY N N 15 113.951 0.05 A 47 GLU H H 1 8.948 0.015 A 47 GLU HA H 1 5.630 0.015 A 47 GLU HBy H 1 2.112 0.015 A 47 GLU HBx H 1 1.884 0.015 A 47 GLU HGx H 1 2.376 0.015 A 47 GLU HGy H 1 2.376 0.015 A 47 GLU C C 13 173.957 0.05 A 47 GLU CA C 13 54.121 0.05 A 47 GLU CB C 13 31.931 0.05 A 47 GLU CG C 13 32.787 0.05 A 47 GLU N N 15 119.299 0.05 A 48 LEU H H 1 9.076 0.015 A 48 LEU HA H 1 4.746 0.015 A 48 LEU HBy H 1 1.859 0.015 A 48 LEU HBx H 1 1.416 0.015 A 48 LEU HDx% H 1 0.980 0.015 A 48 LEU HDy% H 1 0.981 0.015 A 48 LEU HG H 1 1.558 0.015 A 48 LEU C C 13 175.823 0.05 A 48 LEU CA C 13 54.612 0.05 A 48 LEU CB C 13 46.348 0.05 A 48 LEU CD1 C 13 26.700 0.05 A 48 LEU CD2 C 13 22.891 0.05 A 48 LEU CG C 13 27.537 0.05 A 48 LEU N N 15 127.393 0.05 A 49 ASN H H 1 9.915 0.015 A 49 ASN HA H 1 4.513 0.015 A 49 ASN HBy H 1 3.164 0.015 A 49 ASN HBx H 1 2.830 0.015 A 49 ASN HD2y H 1 7.747 0.015 A 49 ASN HD2x H 1 6.981 0.015 A 49 ASN C C 13 174.976 0.05 A 49 ASN CA C 13 54.427 0.05 A 49 ASN CB C 13 37.611 0.05 A 49 ASN N N 15 127.971 0.05 A 49 ASN ND2 N 15 112.795 0.05 A 50 GLY H H 1 8.674 0.015 A 50 GLY HAy H 1 4.227 0.015 A 50 GLY HAx H 1 3.729 0.015 A 50 GLY C C 13 173.657 0.05 A 50 GLY CA C 13 45.624 0.05 A 50 GLY N N 15 103.689 0.05 A 51 LYS H H 1 7.842 0.015 A 51 LYS HA H 1 4.728 0.015 A 51 LYS HBx H 1 1.930 0.015 A 51 LYS HBy H 1 1.930 0.015 A 51 LYS HDx H 1 1.871 0.015 A 51 LYS HDy H 1 1.871 0.015 A 51 LYS HEx H 1 3.160 0.015 A 51 LYS HEy H 1 3.160 0.015 A 51 LYS HGy H 1 1.539 0.015 A 51 LYS HGx H 1 1.436 0.015 A 51 LYS C C 13 174.639 0.05 A 51 LYS CA C 13 54.696 0.05 A 51 LYS CB C 13 34.720 0.05 A 51 LYS CD C 13 29.059 0.05 A 51 LYS CE C 13 42.792 0.05 A 51 LYS CG C 13 25.135 0.05 A 51 LYS N N 15 121.467 0.05 A 52 GLU H H 1 8.778 0.015 A 52 GLU HA H 1 5.609 0.015 A 52 GLU HBy H 1 2.024 0.015 A 52 GLU HBx H 1 1.946 0.015 A 52 GLU HGx H 1 2.446 0.015 A 52 GLU HGy H 1 2.446 0.015 A 52 GLU C C 13 176.068 0.05 A 52 GLU CA C 13 53.813 0.05 A 52 GLU CB C 13 31.075 0.05 A 52 GLU CG C 13 33.272 0.05 A 52 GLU N N 15 121.611 0.05 A 53 GLY H H 1 8.888 0.015 A 53 GLY HAy H 1 4.413 0.015 A 53 GLY HAx H 1 3.961 0.015 A 53 GLY C C 13 171.961 0.05 A 53 GLY CA C 13 45.661 0.05 A 53 GLY N N 15 109.326 0.05 A 54 VAL H H 1 9.092 0.015 A 54 VAL HA H 1 6.216 0.015 A 54 VAL HB H 1 2.586 0.015 A 54 VAL HGx% H 1 1.042 0.015 A 54 VAL HGy% H 1 0.957 0.015 A 54 VAL C C 13 176.649 0.05 A 54 VAL CA C 13 59.856 0.05 A 54 VAL CB C 13 34.981 0.05 A 54 VAL CG1 C 13 21.421 0.05 A 54 VAL CG2 C 13 18.560 0.05 A 54 VAL N N 15 112.650 0.05 A 55 PHE H H 1 8.939 0.015 A 55 PHE HA H 1 5.021 0.015 A 55 PHE HBy H 1 3.269 0.015 A 55 PHE HBx H 1 2.553 0.015 A 55 PHE HD1 H 1 7.018 0.015 A 55 PHE HD2 H 1 7.018 0.015 A 55 PHE HE1 H 1 6.885 0.015 A 55 PHE HE2 H 1 6.885 0.015 A 55 PHE HZ H 1 7.258 0.015 A 55 PHE CA C 13 55.077 0.05 A 55 PHE CB C 13 38.807 0.05 A 55 PHE CDx C 13 133.916 0.05 A 55 PHE CDy C 13 133.916 0.05 A 55 PHE CEx C 13 129.495 0.05 A 55 PHE CEy C 13 129.495 0.05 A 55 PHE CZ C 13 129.522 0.05 A 55 PHE N N 15 116.119 0.05 A 56 PRO HA H 1 3.297 0.015 A 56 PRO HBy H 1 1.396 0.015 A 56 PRO HBx H 1 1.105 0.015 A 56 PRO HDy H 1 2.442 0.015 A 56 PRO HDx H 1 2.164 0.015 A 56 PRO HGy H 1 0.846 0.015 A 56 PRO HGx H 1 0.175 0.015 A 56 PRO C C 13 178.366 0.05 A 56 PRO CA C 13 61.377 0.05 A 56 PRO CB C 13 30.487 0.05 A 56 PRO CD C 13 49.64 0.05 A 56 PRO CG C 13 27.102 0.05 A 57 ASP H H 1 8.215 0.015 A 57 ASP HA H 1 2.913 0.015 A 57 ASP HBy H 1 0.848 0.015 A 57 ASP HBx H 1 0.472 0.015 A 57 ASP C C 13 174.753 0.05 A 57 ASP CA C 13 54.608 0.05 A 57 ASP CB C 13 33.692 0.05 A 57 ASP N N 15 121.467 0.05 A 58 ASN H H 1 8.091 0.015 A 58 ASN HA H 1 4.541 0.015 A 58 ASN HBy H 1 2.779 0.015 A 58 ASN HBx H 1 2.548 0.015 A 58 ASN HD2y H 1 7.426 0.015 A 58 ASN HD2x H 1 6.496 0.015 A 58 ASN C C 13 175.452 0.05 A 58 ASN CA C 13 53.372 0.05 A 58 ASN CB C 13 36.177 0.05 A 58 ASN N N 15 113.951 0.05 A 58 ASN ND2 N 15 112.800 0.05 A 59 PHE H H 1 7.836 0.015 A 59 PHE HA H 1 4.749 0.015 A 59 PHE HBy H 1 3.815 0.015 A 59 PHE HBx H 1 3.313 0.015 A 59 PHE HD1 H 1 7.228 0.015 A 59 PHE HD2 H 1 7.228 0.015 A 59 PHE HE1 H 1 7.397 0.015 A 59 PHE HE2 H 1 7.397 0.015 A 59 PHE HZ H 1 7.306 0.015 A 59 PHE C C 13 174.170 0.05 A 59 PHE CA C 13 57.853 0.05 A 59 PHE CB C 13 38.326 0.05 A 59 PHE CDx C 13 130.884 0.05 A 59 PHE CDy C 13 130.884 0.05 A 59 PHE CEx C 13 131.791 0.05 A 59 PHE CEy C 13 131.791 0.05 A 59 PHE CZ C 13 130.073 0.05 A 59 PHE N N 15 118.432 0.05 A 60 ALA H H 1 7.798 0.015 A 60 ALA HA H 1 5.165 0.015 A 60 ALA HB% H 1 1.150 0.015 A 60 ALA C C 13 173.497 0.05 A 60 ALA CA C 13 51.025 0.05 A 60 ALA CB C 13 24.402 0.05 A 60 ALA N N 15 122.045 0.05 A 61 VAL H H 1 8.499 0.015 A 61 VAL HA H 1 4.787 0.015 A 61 VAL HB H 1 2.036 0.015 A 61 VAL HGx% H 1 1.065 0.015 A 61 VAL HGy% H 1 0.978 0.015 A 61 VAL C C 13 174.889 0.05 A 61 VAL CA C 13 59.209 0.05 A 61 VAL CB C 13 35.437 0.05 A 61 VAL CG1 C 13 20.626 0.05 A 61 VAL CG2 C 13 20.116 0.05 A 61 VAL N N 15 114.529 0.05 A 62 GLN H H 1 9.361 0.015 A 62 GLN HA H 1 4.550 0.015 A 62 GLN HBy H 1 2.132 0.015 A 62 GLN HBx H 1 2.050 0.015 A 62 GLN HE2y H 1 7.628 0.015 A 62 GLN HE2x H 1 6.825 0.015 A 62 GLN HGy H 1 2.493 0.015 A 62 GLN HGx H 1 2.413 0.015 A 62 GLN C C 13 175.872 0.05 A 62 GLN CA C 13 57.890 0.05 A 62 GLN CB C 13 29.142 0.05 A 62 GLN CG C 13 34.414 0.05 A 62 GLN N N 15 127.971 0.05 A 62 GLN NE2 N 15 110.624 0.05 A 63 ILE H H 1 8.450 0.015 A 63 ILE HA H 1 4.547 0.015 A 63 ILE HB H 1 1.968 0.015 A 63 ILE HD1% H 1 0.876 0.015 A 63 ILE HG12 H 1 0.879 0.015 A 63 ILE HG13 H 1 1.479 0.015 A 63 ILE HG2% H 1 0.967 0.015 A 63 ILE C C 13 175.517 0.05 A 63 ILE CA C 13 60.758 0.05 A 63 ILE CB C 13 40.152 0.05 A 63 ILE CD1 C 13 14.047 0.05 A 63 ILE CG1 C 13 26.981 0.05 A 63 ILE CG2 C 13 18.147 0.05 A 63 ILE N N 15 122.623 0.05 A 64 SER H H 1 8.479 0.015 A 64 SER HA H 1 4.604 0.015 A 64 SER HBy H 1 4.038 0.015 A 64 SER HBx H 1 3.951 0.015 A 64 SER CA C 13 58.219 0.05 A 64 SER CB C 13 64.004 0.05 A 64 SER N N 15 120.166 0.05 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 61 VAL HGy% A 62 GLN HBx 1.0 0.0 4.29 2 1 A 61 VAL HGy% A 62 GLN HBy 1.0 0.0 4.29 3 2 A 58 ASN HBy A 58 ASN HD2x 1.0 0.0 3.17 4 2 A 58 ASN HD2x A 58 ASN HBx 1.0 0.0 3.17 5 2 A 58 ASN HD2y A 58 ASN HBx 1.0 0.0 3.17 6 2 A 58 ASN HBy A 58 ASN HD2y 1.0 0.0 3.17 7 3 A 58 ASN HD2y A 58 ASN HBx 1.0 0.0 3.45 8 3 A 58 ASN HD2x A 58 ASN HBx 1.0 0.0 3.45 9 4 A 58 ASN HD2x A 58 ASN HBx 1.0 0.0 4.04 10 5 A 58 ASN HD2y A 58 ASN HBx 1.0 0.0 4.04 11 6 A 58 ASN H A 58 ASN HBx 1.0 0.0 3.06 12 6 A 58 ASN HBy A 58 ASN H 1.0 0.0 3.06 13 7 A 56 PRO HBx A 58 ASN HBx 1.0 0.0 4.20 14 7 A 56 PRO HBy A 58 ASN HBx 1.0 0.0 4.20 15 7 A 58 ASN HBy A 56 PRO HBy 1.0 0.0 4.20 16 7 A 58 ASN HBy A 56 PRO HBx 1.0 0.0 4.20 17 8 A 54 VAL HB A 55 PHE HA 1.0 0.0 5.13 18 9 A 53 GLY H A 52 GLU HGy 1.0 0.0 5.50 19 10 A 53 GLY H A 52 GLU HGx 1.0 0.0 5.50 20 11 A 52 GLU H A 51 LYS HGx 1.0 0.0 4.12 21 11 A 51 LYS HGy A 52 GLU H 1.0 0.0 4.12 22 12 A 51 LYS H A 51 LYS HGx 1.0 0.0 4.07 23 12 A 51 LYS HGy A 51 LYS H 1.0 0.0 4.07 24 13 A 50 GLY H A 51 LYS HDy 1.0 0.0 5.34 25 13 A 50 GLY H A 51 LYS HDx 1.0 0.0 5.34 26 14 A 50 GLY H A 51 LYS HDy 1.0 0.0 5.50 27 15 A 50 GLY H A 51 LYS HDx 1.0 0.0 5.50 28 16 A 48 LEU HBx A 48 LEU HDx% 1.0 0.0 3.82 29 17 A 44 TRP HE1 A 57 ASP HBx 1.0 0.0 4.43 30 17 A 44 TRP HE1 A 57 ASP HBy 1.0 0.0 4.43 31 18 A 36 LYS HGx A 44 TRP HD1 1.0 0.0 5.50 32 19 A 36 LYS HGy A 44 TRP HH2 1.0 0.0 5.50 33 20 A 36 LYS H A 36 LYS HEx 1.0 0.0 5.50 34 21 A 45 LYS HBy A 35 SER HBx 1.0 0.0 4.95 35 22 A 36 LYS H A 35 SER HBx 1.0 0.0 4.44 36 23 A 45 LYS HBy A 35 SER HBy 1.0 0.0 4.95 37 24 A 36 LYS H A 35 SER HBy 1.0 0.0 4.44 38 25 A 52 GLU HBy A 34 ILE HG12 1.0 0.0 5.11 39 25 A 34 ILE HG13 A 52 GLU HBy 1.0 0.0 5.11 40 26 A 34 ILE H A 34 ILE HG12 1.0 0.0 3.61 41 26 A 34 ILE HG13 A 34 ILE H 1.0 0.0 3.61 42 27 A 47 GLU HBx A 32 HIS HBy 1.0 0.0 4.19 43 27 A 32 HIS HBx A 47 GLU HBx 1.0 0.0 4.19 44 28 A 32 HIS HBx A 47 GLU H 1.0 0.0 5.25 45 29 A 31 ILE H A 32 HIS HA 1.0 0.0 5.09 46 30 A 30 ILE HG2% A 30 ILE HG13 1.0 0.0 3.46 47 31 A 30 ILE H A 29 GLU HBx 1.0 0.0 3.42 48 31 A 29 GLU HBy A 30 ILE H 1.0 0.0 3.42 49 32 A 30 ILE H A 29 GLU HBx 1.0 0.0 3.68 50 33 A 29 GLU H A 29 GLU HBx 1.0 0.0 3.08 51 33 A 29 GLU HBy A 29 GLU H 1.0 0.0 3.08 52 34 A 26 ARG H A 29 GLU HBx 1.0 0.0 4.95 53 34 A 29 GLU HBy A 26 ARG H 1.0 0.0 4.95 54 35 A 26 ARG H A 29 GLU HBx 1.0 0.0 5.08 55 36 A 26 ARG H A 26 ARG HGx 1.0 0.0 3.73 56 36 A 26 ARG H A 26 ARG HGy 1.0 0.0 3.73 57 37 A 26 ARG H A 25 PHE HBx 1.0 0.0 3.99 58 38 A 26 ARG H A 25 PHE HBy 1.0 0.0 3.99 59 39 A 23 LEU HG A 24 THR H 1.0 0.0 4.39 60 40 A 23 LEU H A 54 VAL HGy% 1.0 0.0 4.45 61 41 A 43 TRP HH2 A 22 GLU HGy 1.0 0.0 5.50 62 42 A 43 TRP HH2 A 22 GLU HGx 1.0 0.0 5.50 63 43 A 21 ASP H A 22 GLU HBx 1.0 0.0 5.50 64 44 A 20 GLU H A 20 GLU HBy 1.0 0.0 4.19 65 45 A 22 GLU HBy A 19 ASN HD2x 1.0 0.0 4.41 66 45 A 19 ASN HD2y A 22 GLU HBy 1.0 0.0 4.41 67 46 A 21 ASP H A 19 ASN HBy 1.0 0.0 4.88 68 47 A 20 GLU H A 19 ASN HBy 1.0 0.0 4.13 69 48 A 22 GLU H A 19 ASN HBx 1.0 0.0 5.50 70 49 A 20 GLU H A 19 ASN HBx 1.0 0.0 4.13 71 50 A 18 THR H A 19 ASN HBy 1.0 0.0 5.34 72 50 A 18 THR H A 19 ASN HBx 1.0 0.0 5.34 73 51 A 18 THR H A 19 ASN HBy 1.0 0.0 5.50 74 52 A 18 THR H A 19 ASN HBx 1.0 0.0 5.50 75 53 A 22 GLU HBy A 17 GLY HAx 1.0 0.0 4.66 76 54 A 17 GLY H A 22 GLU HGy 1.0 0.0 5.34 77 54 A 17 GLY H A 22 GLU HGx 1.0 0.0 5.34 78 55 A 15 TYR HE% A 22 GLU HGy 1.0 0.0 4.18 79 56 A 22 GLU HGx A 15 TYR HE% 1.0 0.0 4.18 80 57 A 14 PRO HDy A 27 GLU HGy 1.0 0.0 5.50 81 58 A 14 PRO HDy A 27 GLU HGx 1.0 0.0 5.50 82 59 A 11 THR HG2% A 29 GLU HBx 1.0 0.0 4.01 83 59 A 29 GLU HBy A 11 THR HG2% 1.0 0.0 4.01 84 60 A 11 THR HA A 61 VAL HGx% 1.0 0.0 4.97 85 61 A 11 THR H A 30 ILE HD1% 1.0 0.0 4.60 86 62 A 11 THR H A 29 GLU HBx 1.0 0.0 5.01 87 62 A 29 GLU HBy A 11 THR H 1.0 0.0 5.01 88 63 A 29 GLU HBy A 11 THR H 1.0 0.0 5.44 89 64 A 11 THR H A 12 LEU HDy% 1.0 0.0 5.41 90 65 A 61 VAL H A 10 ARG HBx 1.0 0.0 4.65 91 65 A 10 ARG HBy A 61 VAL H 1.0 0.0 4.65 92 66 A 30 ILE HA A 10 ARG HBx 1.0 0.0 5.34 93 66 A 10 ARG HBy A 30 ILE HA 1.0 0.0 5.34 94 67 A 10 ARG HBy A 30 ILE HA 1.0 0.0 5.14 95 68 A 10 ARG H A 63 ILE HD1% 1.0 0.0 5.50 96 69 A 30 ILE HD1% A 10 ARG H 1.0 0.0 5.50 97 70 A 60 ALA HB% A 9 CYS HBx 1.0 0.0 3.47 98 70 A 9 CYS HBy A 60 ALA HB% 1.0 0.0 3.47 99 71 A 10 ARG H A 9 CYS HBx 1.0 0.0 3.50 100 71 A 10 ARG H A 9 CYS HBy 1.0 0.0 3.50 101 72 A 9 CYS H A 9 CYS HBx 1.0 0.0 4.15 102 73 A 7 GLU HBx A 33 LEU HBx 1.0 0.0 3.77 103 74 A 7 GLU H A 6 LYS HBx 1.0 0.0 4.79 104 75 A 7 GLU H A 6 LYS HBy 1.0 0.0 4.79 105 76 A 36 LYS HGy A 2 ALA HB% 1.0 0.0 4.55 106 77 A 63 ILE HD1% A 63 ILE H 1.0 0.0 4.45 107 78 A 64 SER H A 62 GLN HGx 1.0 0.0 3.71 108 78 A 62 GLN HGy A 64 SER H 1.0 0.0 3.71 109 79 A 62 GLN HE2y A 62 GLN HGx 1.0 0.0 3.12 110 79 A 62 GLN HGy A 62 GLN HE2y 1.0 0.0 3.12 111 79 A 62 GLN HGy A 62 GLN HE2x 1.0 0.0 3.12 112 79 A 62 GLN HE2x A 62 GLN HGx 1.0 0.0 3.12 113 80 A 63 ILE H A 62 GLN HBx 1.0 0.0 3.95 114 80 A 62 GLN HBy A 63 ILE H 1.0 0.0 3.95 115 81 A 62 GLN HA A 62 GLN HGx 1.0 0.0 3.61 116 81 A 62 GLN HGy A 62 GLN HA 1.0 0.0 3.61 117 82 A 61 VAL HGy% A 63 ILE HA 1.0 0.0 5.38 118 83 A 61 VAL HGy% A 63 ILE H 1.0 0.0 5.50 119 84 A 61 VAL HGy% A 62 GLN HA 1.0 0.0 5.02 120 85 A 61 VAL HGx% A 60 ALA HA 1.0 0.0 4.35 121 86 A 51 LYS H A 51 LYS HGx 1.0 0.0 4.71 122 87 A 51 LYS HGy A 51 LYS H 1.0 0.0 4.96 123 88 A 50 GLY H A 48 LEU HBx 1.0 0.0 5.50 124 89 A 48 LEU HBx A 48 LEU HDy% 1.0 0.0 3.82 125 90 A 47 GLU HBx A 48 LEU H 1.0 0.0 4.41 126 91 A 45 LYS HA A 45 LYS HGx 1.0 0.0 3.90 127 92 A 36 LYS HGx A 44 TRP HH2 1.0 0.0 5.50 128 93 A 44 TRP HZ2 A 36 LYS HDx 1.0 0.0 5.06 129 94 A 36 LYS H A 36 LYS HDy 1.0 0.0 5.50 130 95 A 45 LYS HBy A 35 SER HBy 1.0 0.0 5.30 131 95 A 45 LYS HBy A 35 SER HBx 1.0 0.0 5.30 132 96 A 35 SER H A 45 LYS HDx 1.0 0.0 4.91 133 96 A 35 SER H A 45 LYS HDy 1.0 0.0 4.91 134 97 A 35 SER H A 45 LYS HGy 1.0 0.0 4.38 135 98 A 45 LYS HBy A 35 SER H 1.0 0.0 4.78 136 99 A 33 LEU HDy% A 44 TRP HE3 1.0 0.0 5.50 137 100 A 44 TRP HH2 A 33 LEU HDx% 1.0 0.0 4.52 138 101 A 44 TRP HE3 A 33 LEU HDx% 1.0 0.0 5.50 139 102 A 47 GLU H A 32 HIS HBy 1.0 0.0 5.25 140 103 A 31 ILE HG2% A 55 PHE HZ 1.0 0.0 4.93 141 104 A 31 ILE HG13 A 32 HIS H 1.0 0.0 5.50 142 105 A 29 GLU HGx A 48 LEU HDy% 1.0 0.0 5.13 143 105 A 48 LEU HDx% A 29 GLU HGx 1.0 0.0 5.13 144 105 A 29 GLU HGy A 48 LEU HDx% 1.0 0.0 5.13 145 105 A 29 GLU HGy A 48 LEU HDy% 1.0 0.0 5.13 146 106 A 30 ILE H A 29 GLU HGx 1.0 0.0 5.34 147 106 A 30 ILE H A 29 GLU HGy 1.0 0.0 5.34 148 107 A 29 GLU HA A 30 ILE HG12 1.0 0.0 4.88 149 108 A 29 GLU H A 30 ILE HG12 1.0 0.0 5.50 150 109 A 23 LEU HBy A 53 GLY HAy 1.0 0.0 5.50 151 110 A 43 TRP HH2 A 22 GLU HGy 1.0 0.0 5.34 152 110 A 43 TRP HH2 A 22 GLU HGx 1.0 0.0 5.34 153 111 A 20 GLU H A 20 GLU HBy 1.0 0.0 3.58 154 111 A 20 GLU H A 20 GLU HBx 1.0 0.0 3.58 155 112 A 21 ASP H A 19 ASN HBx 1.0 0.0 4.88 156 113 A 19 ASN H A 19 ASN HBy 1.0 0.0 3.61 157 113 A 19 ASN HBx A 19 ASN H 1.0 0.0 3.61 158 114 A 22 GLU HBx A 17 GLY HAy 1.0 0.0 3.78 159 114 A 22 GLU HBx A 17 GLY HAx 1.0 0.0 3.78 160 115 A 15 TYR HD% A 22 GLU HGy 1.0 0.0 4.61 161 115 A 22 GLU HGx A 15 TYR HD% 1.0 0.0 4.61 162 116 A 12 LEU HDy% A 60 ALA HA 1.0 0.0 4.72 163 117 A 61 VAL H A 12 LEU HDx% 1.0 0.0 4.91 164 118 A 30 ILE HD1% A 10 ARG HDy 1.0 0.0 4.84 165 118 A 30 ILE HD1% A 10 ARG HDx 1.0 0.0 4.84 166 119 A 30 ILE HD1% A 10 ARG HDy 1.0 0.0 5.50 167 120 A 30 ILE HD1% A 10 ARG HDx 1.0 0.0 5.50 168 121 A 61 VAL HGx% A 10 ARG HA 1.0 0.0 5.09 169 122 A 30 ILE HD1% A 10 ARG HA 1.0 0.0 4.79 170 123 A 30 ILE HG2% A 9 CYS HA 1.0 0.0 5.33 171 124 A 31 ILE H A 8 TYR HBy 1.0 0.0 5.50 172 125 A 8 TYR H A 62 GLN HGx 1.0 0.0 4.83 173 125 A 62 GLN HGy A 8 TYR H 1.0 0.0 4.83 174 126 A 7 GLU HBy A 62 GLN HE2x 1.0 0.0 5.50 175 127 A 7 GLU HBy A 62 GLN HE2y 1.0 0.0 5.50 176 128 A 33 LEU HDx% A 7 GLU HBy 1.0 0.0 4.63 177 129 A 2 ALA HB% A 36 LYS HEx 1.0 0.0 4.12 178 129 A 2 ALA HB% A 36 LYS HEy 1.0 0.0 4.12 179 130 A 64 SER H A 63 ILE HG12 1.0 0.0 4.17 180 130 A 64 SER H A 63 ILE HG13 1.0 0.0 4.17 181 131 A 63 ILE H A 63 ILE HG12 1.0 0.0 3.31 182 131 A 63 ILE H A 63 ILE HG13 1.0 0.0 3.31 183 132 A 59 PHE HD% A 56 PRO HBy 1.0 0.0 4.01 184 132 A 56 PRO HBx A 59 PHE HD% 1.0 0.0 4.01 185 133 A 59 PHE H A 56 PRO HBy 1.0 0.0 4.19 186 133 A 56 PRO HBx A 59 PHE H 1.0 0.0 4.19 187 134 A 58 ASN H A 56 PRO HBy 1.0 0.0 3.53 188 134 A 58 ASN H A 56 PRO HBx 1.0 0.0 3.53 189 135 A 50 GLY H A 49 ASN HBx 1.0 0.0 4.03 190 135 A 50 GLY H A 49 ASN HBy 1.0 0.0 4.03 191 136 A 48 LEU H A 48 LEU HDy% 1.0 0.0 5.37 192 137 A 48 LEU H A 48 LEU HDx% 1.0 0.0 5.37 193 138 A 47 GLU HA A 47 GLU HGy 1.0 0.0 4.25 194 139 A 45 LYS HBy A 54 VAL HGx% 1.0 0.0 3.96 195 140 A 45 LYS HGx A 45 LYS H 1.0 0.0 5.50 196 141 A 45 LYS HGy A 45 LYS H 1.0 0.0 5.50 197 142 A 37 GLU H A 37 GLU HGy 1.0 0.0 5.50 198 143 A 37 GLU H A 37 GLU HGx 1.0 0.0 5.50 199 144 A 44 TRP HZ2 A 36 LYS HDy 1.0 0.0 5.06 200 145 A 36 LYS H A 36 LYS HEx 1.0 0.0 5.34 201 145 A 36 LYS H A 36 LYS HEy 1.0 0.0 5.34 202 146 A 36 LYS H A 36 LYS HDx 1.0 0.0 5.50 203 147 A 35 SER HBy A 45 LYS HDx 1.0 0.0 5.03 204 147 A 35 SER HBx A 45 LYS HDx 1.0 0.0 5.03 205 147 A 45 LYS HDy A 35 SER HBy 1.0 0.0 5.03 206 147 A 35 SER HBx A 45 LYS HDy 1.0 0.0 5.03 207 148 A 45 LYS HBx A 35 SER HBy 1.0 0.0 3.75 208 148 A 35 SER HBx A 45 LYS HBx 1.0 0.0 3.75 209 149 A 34 ILE HG2% A 34 ILE HG12 1.0 0.0 3.15 210 149 A 34 ILE HG13 A 34 ILE HG2% 1.0 0.0 3.15 211 150 A 52 GLU HBx A 34 ILE HG12 1.0 0.0 3.98 212 150 A 34 ILE HG13 A 52 GLU HBx 1.0 0.0 3.98 213 151 A 34 ILE HD1% A 46 GLY HAy 1.0 0.0 4.65 214 152 A 34 ILE H A 45 LYS HBx 1.0 0.0 4.88 215 153 A 33 LEU HDy% A 45 LYS H 1.0 0.0 4.09 216 154 A 36 LYS H A 33 LEU HDy% 1.0 0.0 5.09 217 155 A 35 SER H A 33 LEU HDy% 1.0 0.0 3.60 218 156 A 34 ILE H A 33 LEU HDy% 1.0 0.0 3.79 219 157 A 33 LEU HDx% A 44 TRP HZ3 1.0 0.0 4.34 220 158 A 33 LEU HG A 44 TRP HBx 1.0 0.0 5.30 221 159 A 33 LEU HDx% A 33 LEU HBy 1.0 0.0 3.57 222 160 A 47 GLU HBx A 32 HIS H 1.0 0.0 4.95 223 161 A 32 HIS H A 47 GLU HBy 1.0 0.0 5.50 224 162 A 29 GLU HA A 29 GLU HGx 1.0 0.0 3.53 225 162 A 29 GLU HGy A 29 GLU HA 1.0 0.0 3.53 226 163 A 29 GLU H A 31 ILE HG13 1.0 0.0 5.50 227 164 A 29 GLU H A 29 GLU HBx 1.0 0.0 4.11 228 165 A 29 GLU HBy A 29 GLU H 1.0 0.0 3.88 229 166 A 26 ARG H A 29 GLU HGx 1.0 0.0 4.63 230 166 A 26 ARG H A 29 GLU HGy 1.0 0.0 4.63 231 167 A 25 PHE HBx A 48 LEU HDy% 1.0 0.0 3.52 232 167 A 25 PHE HBy A 48 LEU HDy% 1.0 0.0 3.52 233 167 A 48 LEU HDx% A 25 PHE HBx 1.0 0.0 3.52 234 167 A 48 LEU HDx% A 25 PHE HBy 1.0 0.0 3.52 235 168 A 23 LEU H A 22 GLU HGy 1.0 0.0 3.75 236 168 A 23 LEU H A 22 GLU HGx 1.0 0.0 3.75 237 169 A 22 GLU H A 21 ASP HBy 1.0 0.0 5.08 238 170 A 22 GLU H A 21 ASP HBx 1.0 0.0 5.08 239 171 A 21 ASP H A 20 GLU HGy 1.0 0.0 5.36 240 172 A 21 ASP H A 20 GLU HGx 1.0 0.0 5.36 241 173 A 22 GLU H A 17 GLY HAy 1.0 0.0 4.95 242 173 A 22 GLU H A 17 GLY HAx 1.0 0.0 4.95 243 174 A 18 THR H A 17 GLY HAy 1.0 0.0 2.70 244 174 A 18 THR H A 17 GLY HAx 1.0 0.0 2.70 245 175 A 15 TYR HE% A 17 GLY HAy 1.0 0.0 3.94 246 175 A 15 TYR HE% A 17 GLY HAx 1.0 0.0 3.94 247 176 A 12 LEU HDx% A 13 PHE H 1.0 0.0 5.34 248 177 A 13 PHE H A 12 LEU HBy 1.0 0.0 3.61 249 178 A 12 LEU HDx% A 12 LEU HBy 1.0 0.0 2.83 250 179 A 12 LEU HBy A 12 LEU H 1.0 0.0 3.42 251 180 A 12 LEU HDy% A 10 ARG H 1.0 0.0 5.50 252 181 A 63 ILE H A 9 CYS HBx 1.0 0.0 4.41 253 181 A 9 CYS HBy A 63 ILE H 1.0 0.0 4.41 254 182 A 62 GLN HA A 9 CYS HBx 1.0 0.0 3.61 255 182 A 9 CYS HBy A 62 GLN HA 1.0 0.0 3.61 256 183 A 61 VAL H A 9 CYS HBx 1.0 0.0 4.16 257 183 A 61 VAL H A 9 CYS HBy 1.0 0.0 4.16 258 184 A 31 ILE H A 9 CYS HBx 1.0 0.0 5.34 259 184 A 31 ILE H A 9 CYS HBy 1.0 0.0 5.34 260 185 A 8 TYR HBy A 63 ILE HG12 1.0 0.0 4.30 261 185 A 8 TYR HBy A 63 ILE HG13 1.0 0.0 4.30 262 186 A 9 CYS H A 8 TYR HBy 1.0 0.0 4.49 263 187 A 8 TYR H A 63 ILE HG12 1.0 0.0 4.98 264 187 A 8 TYR H A 63 ILE HG13 1.0 0.0 4.98 265 188 A 7 GLU HBy A 62 GLN HE2y 1.0 0.0 4.41 266 188 A 7 GLU HBy A 62 GLN HE2x 1.0 0.0 4.41 267 189 A 8 TYR H A 7 GLU HBy 1.0 0.0 3.84 268 190 A 7 GLU HBx A 33 LEU HDx% 1.0 0.0 4.94 269 191 A 7 GLU HBx A 33 LEU HBy 1.0 0.0 4.07 270 192 A 7 GLU HBx A 33 LEU H 1.0 0.0 4.88 271 193 A 7 GLU HBx A 7 GLU H 1.0 0.0 2.96 272 194 A 8 TYR HE% A 6 LYS HBy 1.0 0.0 4.08 273 194 A 6 LYS HBx A 8 TYR HE% 1.0 0.0 4.08 274 195 A 2 ALA HB% A 36 LYS HBx 1.0 0.0 2.92 275 196 A 36 LYS H A 2 ALA HB% 1.0 0.0 3.66 276 197 A 63 ILE HD1% A 64 SER H 1.0 0.0 5.50 277 198 A 64 SER H A 63 ILE HB 1.0 0.0 3.92 278 199 A 54 VAL HB A 54 VAL H 1.0 0.0 4.00 279 200 A 51 LYS H A 51 LYS HDy 1.0 0.0 3.79 280 200 A 51 LYS H A 51 LYS HDx 1.0 0.0 3.79 281 201 A 49 ASN H A 49 ASN HBx 1.0 0.0 3.66 282 201 A 49 ASN HBy A 49 ASN H 1.0 0.0 3.66 283 202 A 49 ASN H A 49 ASN HBx 1.0 0.0 4.18 284 203 A 49 ASN HBy A 49 ASN H 1.0 0.0 4.18 285 204 A 50 GLY H A 48 LEU HDy% 1.0 0.0 5.00 286 204 A 50 GLY H A 48 LEU HDx% 1.0 0.0 5.00 287 205 A 48 LEU HDx% A 49 ASN HD2y 1.0 0.0 4.19 288 205 A 49 ASN HD2y A 48 LEU HDy% 1.0 0.0 4.19 289 205 A 48 LEU HDx% A 49 ASN HD2x 1.0 0.0 4.19 290 205 A 49 ASN HD2x A 48 LEU HDy% 1.0 0.0 4.19 291 206 A 49 ASN H A 48 LEU HDy% 1.0 0.0 3.31 292 206 A 48 LEU HDx% A 49 ASN H 1.0 0.0 3.31 293 207 A 49 ASN HD2x A 48 LEU HDy% 1.0 0.0 5.50 294 208 A 49 ASN HD2y A 48 LEU HDy% 1.0 0.0 5.50 295 209 A 48 LEU HDx% A 49 ASN HD2x 1.0 0.0 5.50 296 210 A 48 LEU HDx% A 49 ASN HD2y 1.0 0.0 5.50 297 211 A 48 LEU HBy A 48 LEU HDy% 1.0 0.0 3.13 298 211 A 48 LEU HDx% A 48 LEU HBy 1.0 0.0 3.13 299 212 A 48 LEU H A 48 LEU HDy% 1.0 0.0 4.53 300 212 A 48 LEU H A 48 LEU HDx% 1.0 0.0 4.53 301 213 A 45 LYS HGx A 46 GLY H 1.0 0.0 4.84 302 214 A 45 LYS HGy A 46 GLY H 1.0 0.0 4.81 303 215 A 44 TRP HBx A 55 PHE HE% 1.0 0.0 4.55 304 216 A 55 PHE HZ A 44 TRP HBx 1.0 0.0 4.17 305 217 A 45 LYS H A 44 TRP HBx 1.0 0.0 3.88 306 218 A 44 TRP HE3 A 44 TRP HBx 1.0 0.0 4.00 307 219 A 44 TRP HBy A 57 ASP H 1.0 0.0 5.50 308 220 A 57 ASP H A 42 GLY HAy 1.0 0.0 4.74 309 220 A 57 ASP H A 42 GLY HAx 1.0 0.0 4.74 310 221 A 43 TRP HD1 A 42 GLY HAy 1.0 0.0 4.44 311 221 A 42 GLY HAx A 43 TRP HD1 1.0 0.0 4.44 312 222 A 41 ALA H A 40 GLU HGy 1.0 0.0 4.81 313 222 A 40 GLU HGx A 41 ALA H 1.0 0.0 4.81 314 223 A 41 ALA H A 40 GLU HBx 1.0 0.0 3.88 315 223 A 41 ALA H A 40 GLU HBy 1.0 0.0 3.88 316 224 A 44 TRP HE1 A 36 LYS HEx 1.0 0.0 5.34 317 224 A 44 TRP HE1 A 36 LYS HEy 1.0 0.0 5.34 318 225 A 35 SER HBx A 37 GLU H 1.0 0.0 4.64 319 226 A 37 GLU H A 35 SER HBy 1.0 0.0 4.64 320 227 A 36 LYS HGx A 35 SER HA 1.0 0.0 5.50 321 228 A 35 SER H A 45 LYS HBx 1.0 0.0 3.87 322 229 A 46 GLY H A 34 ILE HG12 1.0 0.0 4.92 323 229 A 34 ILE HG13 A 46 GLY H 1.0 0.0 4.92 324 230 A 35 SER H A 34 ILE HG12 1.0 0.0 4.80 325 230 A 34 ILE HG13 A 35 SER H 1.0 0.0 4.80 326 231 A 36 LYS HGy A 33 LEU HDy% 1.0 0.0 5.24 327 232 A 36 LYS HGy A 33 LEU HDx% 1.0 0.0 5.27 328 233 A 36 LYS HGy A 33 LEU HG 1.0 0.0 4.33 329 234 A 33 LEU HBx A 33 LEU HDy% 1.0 0.0 4.20 330 235 A 33 LEU HBx A 33 LEU HDx% 1.0 0.0 4.14 331 236 A 33 LEU HDx% A 33 LEU H 1.0 0.0 5.50 332 237 A 32 HIS H A 48 LEU HDy% 1.0 0.0 5.44 333 237 A 32 HIS H A 48 LEU HDx% 1.0 0.0 5.44 334 238 A 32 HIS H A 32 HIS HBy 1.0 0.0 3.69 335 239 A 32 HIS HBx A 32 HIS H 1.0 0.0 3.69 336 240 A 31 ILE H A 31 ILE HG13 1.0 0.0 3.53 337 241 A 31 ILE H A 31 ILE HG12 1.0 0.0 4.71 338 242 A 30 ILE HG13 A 30 ILE H 1.0 0.0 4.07 339 243 A 30 ILE H A 30 ILE HG12 1.0 0.0 3.85 340 244 A 26 ARG H A 48 LEU HDy% 1.0 0.0 4.08 341 244 A 26 ARG H A 48 LEU HDx% 1.0 0.0 4.08 342 245 A 26 ARG H A 25 PHE HBx 1.0 0.0 3.30 343 245 A 26 ARG H A 25 PHE HBy 1.0 0.0 3.30 344 246 A 25 PHE HA A 48 LEU HDy% 1.0 0.0 3.89 345 246 A 48 LEU HDx% A 25 PHE HA 1.0 0.0 3.89 346 247 A 25 PHE H A 48 LEU HDy% 1.0 0.0 4.99 347 247 A 48 LEU HDx% A 25 PHE H 1.0 0.0 4.99 348 248 A 24 THR H A 48 LEU HDy% 1.0 0.0 5.36 349 248 A 24 THR H A 48 LEU HDx% 1.0 0.0 5.36 350 249 A 22 GLU HA A 22 GLU HGy 1.0 0.0 3.74 351 249 A 22 GLU HGx A 22 GLU HA 1.0 0.0 3.74 352 250 A 22 GLU HBx A 15 TYR HE% 1.0 0.0 4.73 353 251 A 14 PRO HBx A 27 GLU H 1.0 0.0 3.67 354 252 A 14 PRO HBy A 15 TYR H 1.0 0.0 3.69 355 253 A 12 LEU HDy% A 13 PHE H 1.0 0.0 5.50 356 254 A 12 LEU HDx% A 61 VAL HB 1.0 0.0 4.01 357 255 A 12 LEU HDy% A 12 LEU H 1.0 0.0 4.44 358 256 A 12 LEU HDx% A 12 LEU H 1.0 0.0 4.17 359 257 A 11 THR HG2% A 25 PHE HBx 1.0 0.0 3.98 360 257 A 11 THR HG2% A 25 PHE HBy 1.0 0.0 3.98 361 258 A 11 THR HA A 12 LEU HDy% 1.0 0.0 4.74 362 259 A 11 THR H A 31 ILE HG13 1.0 0.0 5.41 363 260 A 61 VAL H A 10 ARG HBx 1.0 0.0 5.42 364 261 A 10 ARG HBy A 61 VAL H 1.0 0.0 5.50 365 262 A 61 VAL HGy% A 10 ARG H 1.0 0.0 4.86 366 263 A 61 VAL HGx% A 10 ARG H 1.0 0.0 4.86 367 264 A 9 CYS H A 31 ILE HG13 1.0 0.0 5.50 368 265 A 6 LYS HBx A 6 LYS H 1.0 0.0 4.12 369 266 A 6 LYS H A 6 LYS HBy 1.0 0.0 4.12 370 267 A 6 LYS H A 5 ALA H 1.0 0.0 4.00 371 268 A 62 GLN H A 62 GLN HBx 1.0 0.0 2.69 372 268 A 62 GLN HBy A 62 GLN H 1.0 0.0 2.69 373 269 A 52 GLU H A 51 LYS HBy 1.0 0.0 3.37 374 270 A 51 LYS H A 51 LYS HBx 1.0 0.0 3.28 375 271 A 50 GLY H A 51 LYS HBx 1.0 0.0 4.96 376 272 A 49 ASN HD2x A 48 LEU HG 1.0 0.0 4.00 377 272 A 49 ASN HD2y A 48 LEU HG 1.0 0.0 4.00 378 273 A 53 GLY H A 45 LYS HGx 1.0 0.0 5.23 379 274 A 53 GLY H A 45 LYS HGy 1.0 0.0 5.23 380 275 A 44 TRP HZ3 A 62 GLN HBx 1.0 0.0 5.34 381 275 A 62 GLN HBy A 44 TRP HZ3 1.0 0.0 5.34 382 276 A 44 TRP HH2 A 62 GLN HBx 1.0 0.0 5.34 383 276 A 62 GLN HBy A 44 TRP HH2 1.0 0.0 5.34 384 277 A 44 TRP HH2 A 62 GLN H 1.0 0.0 4.85 385 278 A 44 TRP HE1 A 57 ASP HBx 1.0 0.0 5.17 386 279 A 44 TRP HE1 A 57 ASP HBy 1.0 0.0 5.17 387 280 A 43 TRP HZ3 A 55 PHE HBy 1.0 0.0 5.12 388 281 A 57 ASP H A 42 GLY HAx 1.0 0.0 5.50 389 282 A 57 ASP H A 42 GLY HAy 1.0 0.0 5.50 390 283 A 41 ALA H A 43 TRP H 1.0 0.0 5.50 391 284 A 43 TRP HD1 A 40 GLU HBx 1.0 0.0 3.66 392 284 A 43 TRP HD1 A 40 GLU HBy 1.0 0.0 3.66 393 285 A 43 TRP HBy A 40 GLU HBx 1.0 0.0 4.46 394 285 A 40 GLU HBy A 43 TRP HBy 1.0 0.0 4.46 395 286 A 41 ALA H A 40 GLU HGy 1.0 0.0 5.50 396 287 A 40 GLU HGx A 41 ALA H 1.0 0.0 5.50 397 288 A 40 GLU H A 40 GLU HBx 1.0 0.0 3.09 398 288 A 40 GLU HBy A 40 GLU H 1.0 0.0 3.09 399 289 A 38 THR H A 37 GLU HGy 1.0 0.0 5.50 400 290 A 38 THR H A 37 GLU HGx 1.0 0.0 5.50 401 291 A 37 GLU HA A 37 GLU HGy 1.0 0.0 3.74 402 291 A 37 GLU HA A 37 GLU HGx 1.0 0.0 3.74 403 292 A 37 GLU H A 37 GLU HGy 1.0 0.0 4.68 404 292 A 37 GLU H A 37 GLU HGx 1.0 0.0 4.68 405 293 A 44 TRP HZ2 A 36 LYS HDy 1.0 0.0 4.51 406 293 A 44 TRP HZ2 A 36 LYS HDx 1.0 0.0 4.51 407 294 A 44 TRP HH2 A 36 LYS HDy 1.0 0.0 5.34 408 294 A 44 TRP HH2 A 36 LYS HDx 1.0 0.0 5.34 409 295 A 44 TRP HE1 A 36 LYS HDy 1.0 0.0 4.66 410 295 A 44 TRP HE1 A 36 LYS HDx 1.0 0.0 4.66 411 296 A 44 TRP HE1 A 36 LYS HGx 1.0 0.0 4.76 412 297 A 44 TRP HE1 A 36 LYS HGy 1.0 0.0 4.76 413 298 A 44 TRP HD1 A 36 LYS HGy 1.0 0.0 5.06 414 299 A 44 TRP HE1 A 36 LYS HBy 1.0 0.0 3.97 415 300 A 44 TRP HD1 A 36 LYS HBy 1.0 0.0 4.57 416 301 A 36 LYS HA A 36 LYS HDy 1.0 0.0 4.64 417 301 A 36 LYS HDx A 36 LYS HA 1.0 0.0 4.64 418 302 A 36 LYS HA A 36 LYS HDy 1.0 0.0 5.41 419 303 A 36 LYS HDx A 36 LYS HA 1.0 0.0 5.41 420 304 A 36 LYS H A 36 LYS HBx 1.0 0.0 3.73 421 305 A 37 GLU H A 35 SER HBy 1.0 0.0 4.02 422 305 A 35 SER HBx A 37 GLU H 1.0 0.0 4.02 423 306 A 47 GLU HGy A 34 ILE HD1% 1.0 0.0 5.45 424 307 A 45 LYS H A 34 ILE HB 1.0 0.0 5.50 425 308 A 55 PHE HZ A 33 LEU HG 1.0 0.0 5.40 426 309 A 47 GLU H A 32 HIS HBy 1.0 0.0 4.52 427 309 A 32 HIS HBx A 47 GLU H 1.0 0.0 4.52 428 310 A 32 HIS H A 32 HIS HBy 1.0 0.0 3.12 429 310 A 32 HIS HBx A 32 HIS H 1.0 0.0 3.12 430 311 A 27 GLU H A 26 ARG HBx 1.0 0.0 3.28 431 311 A 27 GLU H A 26 ARG HBy 1.0 0.0 3.28 432 312 A 26 ARG HA A 26 ARG HGx 1.0 0.0 3.71 433 312 A 26 ARG HGy A 26 ARG HA 1.0 0.0 3.71 434 313 A 26 ARG H A 26 ARG HBx 1.0 0.0 3.13 435 313 A 26 ARG H A 26 ARG HBy 1.0 0.0 3.13 436 314 A 23 LEU HG A 51 LYS HBy 1.0 0.0 5.19 437 315 A 48 LEU HBx A 23 LEU HG 1.0 0.0 4.70 438 316 A 23 LEU HBx A 55 PHE HD% 1.0 0.0 5.48 439 317 A 23 LEU HBy A 55 PHE HD% 1.0 0.0 4.68 440 318 A 55 PHE HA A 22 GLU HGy 1.0 0.0 4.61 441 318 A 55 PHE HA A 22 GLU HGx 1.0 0.0 4.61 442 319 A 23 LEU H A 22 GLU HBx 1.0 0.0 4.30 443 320 A 22 GLU HBx A 22 GLU H 1.0 0.0 4.07 444 321 A 21 ASP H A 20 GLU HGy 1.0 0.0 4.54 445 321 A 21 ASP H A 20 GLU HGx 1.0 0.0 4.54 446 322 A 22 GLU H A 19 ASN HBy 1.0 0.0 4.74 447 322 A 22 GLU H A 19 ASN HBx 1.0 0.0 4.74 448 323 A 21 ASP H A 19 ASN HBy 1.0 0.0 4.19 449 323 A 21 ASP H A 19 ASN HBx 1.0 0.0 4.19 450 324 A 20 GLU H A 19 ASN HBy 1.0 0.0 3.43 451 324 A 20 GLU H A 19 ASN HBx 1.0 0.0 3.43 452 325 A 19 ASN HBx A 19 ASN HD2x 1.0 0.0 3.22 453 325 A 19 ASN HBy A 19 ASN HD2x 1.0 0.0 3.22 454 325 A 19 ASN HD2y A 19 ASN HBy 1.0 0.0 3.22 455 325 A 19 ASN HD2y A 19 ASN HBx 1.0 0.0 3.22 456 326 A 22 GLU HBx A 19 ASN H 1.0 0.0 4.94 457 327 A 18 THR H A 22 GLU HGy 1.0 0.0 5.34 458 327 A 18 THR H A 22 GLU HGx 1.0 0.0 5.34 459 328 A 22 GLU HBx A 18 THR H 1.0 0.0 4.38 460 329 A 22 GLU HBx A 17 GLY HAx 1.0 0.0 4.37 461 330 A 22 GLU H A 17 GLY HAx 1.0 0.0 5.50 462 331 A 22 GLU HBx A 17 GLY HAy 1.0 0.0 4.56 463 332 A 22 GLU H A 17 GLY HAy 1.0 0.0 5.50 464 333 A 22 GLU HBx A 17 GLY H 1.0 0.0 5.50 465 334 A 54 VAL HGy% A 15 TYR HE% 1.0 0.0 5.44 466 335 A 23 LEU H A 15 TYR HE% 1.0 0.0 5.13 467 336 A 15 TYR HE% A 22 GLU HGy 1.0 0.0 4.20 468 336 A 22 GLU HGx A 15 TYR HE% 1.0 0.0 4.20 469 337 A 18 THR H A 15 TYR HE% 1.0 0.0 5.50 470 338 A 15 TYR HE% A 17 GLY HAx 1.0 0.0 4.69 471 339 A 15 TYR HE% A 17 GLY HAy 1.0 0.0 4.69 472 340 A 15 TYR HBy A 59 PHE HE% 1.0 0.0 4.63 473 341 A 59 PHE HD% A 15 TYR HBy 1.0 0.0 3.96 474 342 A 14 PRO HDy A 27 GLU HGy 1.0 0.0 4.83 475 342 A 14 PRO HDy A 27 GLU HGx 1.0 0.0 4.83 476 343 A 13 PHE HA A 27 GLU HBx 1.0 0.0 5.09 477 344 A 13 PHE HA A 27 GLU HBy 1.0 0.0 5.09 478 345 A 12 LEU HDy% A 61 VAL HB 1.0 0.0 4.21 479 346 A 11 THR H A 28 GLY HAx 1.0 0.0 5.50 480 347 A 61 VAL H A 9 CYS HBx 1.0 0.0 4.99 481 348 A 61 VAL H A 9 CYS HBy 1.0 0.0 4.99 482 349 A 9 CYS H A 8 TYR HBx 1.0 0.0 3.60 483 350 A 63 ILE H A 8 TYR HBy 1.0 0.0 5.50 484 351 A 8 TYR H A 62 GLN HGx 1.0 0.0 5.50 485 352 A 62 GLN HGy A 8 TYR H 1.0 0.0 5.50 486 353 A 7 GLU H A 7 GLU HGx 1.0 0.0 3.54 487 353 A 7 GLU H A 7 GLU HGy 1.0 0.0 3.54 488 354 A 7 GLU H A 7 GLU HGx 1.0 0.0 4.20 489 355 A 7 GLU H A 7 GLU HGy 1.0 0.0 4.20 490 356 A 7 GLU H A 6 LYS HGy 1.0 0.0 5.50 491 357 A 7 GLU H A 6 LYS HGx 1.0 0.0 5.50 492 358 A 6 LYS HA A 6 LYS HGy 1.0 0.0 3.70 493 358 A 6 LYS HA A 6 LYS HGx 1.0 0.0 3.70 494 359 A 64 SER H A 64 SER HBx 1.0 0.0 3.66 495 360 A 64 SER H A 64 SER HBy 1.0 0.0 3.66 496 361 A 64 SER H A 63 ILE HG2% 1.0 0.0 4.15 497 362 A 63 ILE HA A 63 ILE HG2% 1.0 0.0 3.17 498 363 A 63 ILE H A 63 ILE HG2% 1.0 0.0 4.65 499 364 A 63 ILE H A 63 ILE HG13 1.0 0.0 4.02 500 365 A 63 ILE H A 63 ILE HG12 1.0 0.0 4.02 501 366 A 63 ILE H A 63 ILE HB 1.0 0.0 3.76 502 367 A 64 SER H A 62 GLN HGx 1.0 0.0 4.39 503 368 A 63 ILE H A 62 GLN HGx 1.0 0.0 3.88 504 369 A 62 GLN HGy A 64 SER H 1.0 0.0 4.39 505 370 A 63 ILE H A 62 GLN HGy 1.0 0.0 3.88 506 371 A 63 ILE H A 62 GLN HBx 1.0 0.0 4.58 507 372 A 62 GLN HBy A 63 ILE H 1.0 0.0 4.58 508 373 A 63 ILE H A 62 GLN HA 1.0 0.0 2.62 509 374 A 62 GLN HA A 62 GLN HGx 1.0 0.0 4.11 510 375 A 62 GLN HGy A 62 GLN HA 1.0 0.0 4.11 511 376 A 63 ILE H A 62 GLN H 1.0 0.0 4.78 512 377 A 62 GLN H A 62 GLN HGx 1.0 0.0 4.73 513 378 A 62 GLN HGy A 62 GLN H 1.0 0.0 4.73 514 379 A 62 GLN H A 62 GLN HBx 1.0 0.0 3.11 515 380 A 62 GLN HBy A 62 GLN H 1.0 0.0 3.11 516 381 A 61 VAL HGy% A 62 GLN H 1.0 0.0 4.14 517 382 A 61 VAL HGx% A 62 GLN H 1.0 0.0 4.14 518 383 A 61 VAL H A 62 GLN HA 1.0 0.0 5.07 519 384 A 61 VAL H A 62 GLN H 1.0 0.0 4.53 520 385 A 61 VAL HGy% A 61 VAL H 1.0 0.0 4.12 521 386 A 61 VAL HGx% A 61 VAL H 1.0 0.0 4.12 522 387 A 61 VAL H A 61 VAL HB 1.0 0.0 3.67 523 388 A 60 ALA HB% A 62 GLN H 1.0 0.0 5.50 524 389 A 61 VAL H A 60 ALA HB% 1.0 0.0 3.00 525 390 A 61 VAL H A 60 ALA HA 1.0 0.0 2.85 526 391 A 61 VAL H A 60 ALA H 1.0 0.0 4.77 527 392 A 60 ALA HB% A 60 ALA H 1.0 0.0 3.00 528 393 A 60 ALA H A 59 PHE HBx 1.0 0.0 4.00 529 393 A 60 ALA H A 59 PHE HBy 1.0 0.0 4.00 530 394 A 60 ALA H A 59 PHE HBx 1.0 0.0 4.79 531 395 A 60 ALA H A 59 PHE HBy 1.0 0.0 4.79 532 396 A 60 ALA HB% A 59 PHE H 1.0 0.0 4.45 533 397 A 59 PHE HD% A 59 PHE H 1.0 0.0 3.68 534 398 A 59 PHE H A 59 PHE HBx 1.0 0.0 3.00 535 398 A 59 PHE H A 59 PHE HBy 1.0 0.0 3.00 536 399 A 59 PHE H A 59 PHE HBx 1.0 0.0 3.68 537 400 A 59 PHE H A 59 PHE HBy 1.0 0.0 3.68 538 401 A 59 PHE H A 58 ASN HBx 1.0 0.0 4.92 539 402 A 58 ASN HBy A 59 PHE H 1.0 0.0 4.92 540 403 A 60 ALA H A 58 ASN HA 1.0 0.0 4.60 541 404 A 58 ASN H A 60 ALA H 1.0 0.0 4.68 542 405 A 58 ASN H A 59 PHE HD% 1.0 0.0 4.28 543 406 A 58 ASN H A 59 PHE HA 1.0 0.0 5.50 544 407 A 58 ASN H A 59 PHE H 1.0 0.0 3.17 545 408 A 58 ASN HD2y A 58 ASN H 1.0 0.0 4.30 546 408 A 58 ASN HD2x A 58 ASN H 1.0 0.0 4.30 547 409 A 58 ASN HD2x A 58 ASN H 1.0 0.0 5.13 548 410 A 58 ASN HD2y A 58 ASN H 1.0 0.0 5.13 549 411 A 58 ASN H A 58 ASN HBx 1.0 0.0 3.71 550 412 A 58 ASN HBy A 58 ASN H 1.0 0.0 3.71 551 413 A 58 ASN H A 57 ASP HBx 1.0 0.0 4.70 552 414 A 58 ASN H A 57 ASP HBy 1.0 0.0 4.70 553 415 A 60 ALA H A 57 ASP HA 1.0 0.0 4.66 554 416 A 59 PHE H A 57 ASP HA 1.0 0.0 4.24 555 417 A 58 ASN H A 57 ASP H 1.0 0.0 3.42 556 418 A 57 ASP H A 57 ASP HBx 1.0 0.0 3.10 557 418 A 57 ASP HBy A 57 ASP H 1.0 0.0 3.10 558 419 A 57 ASP H A 57 ASP HBx 1.0 0.0 3.67 559 420 A 57 ASP HBy A 57 ASP H 1.0 0.0 3.67 560 421 A 58 ASN H A 56 PRO HBx 1.0 0.0 4.28 561 422 A 56 PRO HBx A 57 ASP H 1.0 0.0 4.37 562 423 A 58 ASN H A 56 PRO HBy 1.0 0.0 4.28 563 424 A 57 ASP H A 56 PRO HBy 1.0 0.0 4.37 564 425 A 58 ASN H A 56 PRO HA 1.0 0.0 4.23 565 426 A 60 ALA HB% A 55 PHE HE% 1.0 0.0 3.32 566 427 A 55 PHE HE% A 60 ALA H 1.0 0.0 5.26 567 428 A 59 PHE H A 55 PHE HE% 1.0 0.0 5.50 568 429 A 55 PHE HE% A 57 ASP HBx 1.0 0.0 4.88 569 429 A 57 ASP HBy A 55 PHE HE% 1.0 0.0 4.88 570 430 A 55 PHE HE% A 57 ASP HA 1.0 0.0 3.98 571 431 A 60 ALA HB% A 55 PHE HD% 1.0 0.0 4.06 572 432 A 59 PHE H A 55 PHE HD% 1.0 0.0 4.80 573 433 A 55 PHE HD% A 57 ASP HA 1.0 0.0 4.38 574 434 A 55 PHE HZ A 55 PHE HD% 1.0 0.0 3.95 575 435 A 60 ALA HB% A 55 PHE HZ 1.0 0.0 4.17 576 436 A 55 PHE HA A 55 PHE HD% 1.0 0.0 4.23 577 437 A 55 PHE HD% A 55 PHE H 1.0 0.0 3.58 578 438 A 55 PHE H A 55 PHE HBx 1.0 0.0 3.59 579 439 A 54 VAL HGy% A 55 PHE H 1.0 0.0 3.70 580 440 A 54 VAL HGx% A 55 PHE H 1.0 0.0 3.84 581 441 A 55 PHE HD% A 54 VAL HA 1.0 0.0 4.12 582 442 A 55 PHE HBx A 54 VAL HA 1.0 0.0 4.47 583 443 A 55 PHE H A 54 VAL HA 1.0 0.0 2.85 584 444 A 54 VAL HGy% A 54 VAL HA 1.0 0.0 4.01 585 445 A 54 VAL HGx% A 54 VAL HA 1.0 0.0 3.32 586 446 A 54 VAL H A 55 PHE H 1.0 0.0 4.75 587 447 A 54 VAL HGy% A 54 VAL H 1.0 0.0 2.89 588 448 A 54 VAL HGx% A 54 VAL H 1.0 0.0 3.30 589 449 A 54 VAL H A 53 GLY HAx 1.0 0.0 3.26 590 450 A 54 VAL HGy% A 53 GLY HAy 1.0 0.0 5.17 591 451 A 53 GLY HAy A 54 VAL HGx% 1.0 0.0 3.56 592 452 A 53 GLY HAy A 54 VAL H 1.0 0.0 3.20 593 453 A 53 GLY H A 54 VAL HGx% 1.0 0.0 5.50 594 454 A 53 GLY H A 54 VAL H 1.0 0.0 4.40 595 455 A 53 GLY H A 52 GLU HBx 1.0 0.0 4.46 596 456 A 53 GLY H A 52 GLU HBy 1.0 0.0 3.61 597 457 A 53 GLY H A 52 GLU HA 1.0 0.0 2.66 598 458 A 52 GLU H A 52 GLU HGy 1.0 0.0 3.88 599 458 A 52 GLU H A 52 GLU HGx 1.0 0.0 3.88 600 459 A 52 GLU H A 52 GLU HBx 1.0 0.0 3.63 601 460 A 52 GLU H A 51 LYS HGx 1.0 0.0 4.69 602 461 A 51 LYS HGy A 52 GLU H 1.0 0.0 4.96 603 462 A 52 GLU H A 51 LYS HA 1.0 0.0 2.59 604 463 A 52 GLU H A 51 LYS H 1.0 0.0 4.76 605 464 A 51 LYS H A 50 GLY H 1.0 0.0 3.29 606 465 A 51 LYS H A 49 ASN HBx 1.0 0.0 4.44 607 465 A 51 LYS H A 49 ASN HBy 1.0 0.0 4.44 608 466 A 49 ASN HD2y A 49 ASN HBx 1.0 0.0 3.10 609 466 A 49 ASN HBy A 49 ASN HD2x 1.0 0.0 3.10 610 466 A 49 ASN HD2x A 49 ASN HBx 1.0 0.0 3.10 611 466 A 49 ASN HBy A 49 ASN HD2y 1.0 0.0 3.10 612 467 A 51 LYS H A 49 ASN HBx 1.0 0.0 5.29 613 468 A 50 GLY H A 49 ASN HBx 1.0 0.0 4.73 614 469 A 51 LYS H A 49 ASN HBy 1.0 0.0 5.29 615 470 A 50 GLY H A 49 ASN HBy 1.0 0.0 4.73 616 471 A 51 LYS H A 49 ASN HA 1.0 0.0 4.92 617 472 A 50 GLY H A 49 ASN HA 1.0 0.0 3.13 618 473 A 51 LYS H A 49 ASN H 1.0 0.0 4.73 619 474 A 50 GLY H A 49 ASN H 1.0 0.0 3.47 620 475 A 49 ASN H A 49 ASN HA 1.0 0.0 2.85 621 476 A 49 ASN HD2x A 48 LEU HG 1.0 0.0 4.64 622 477 A 49 ASN HD2y A 48 LEU HG 1.0 0.0 4.64 623 478 A 49 ASN H A 48 LEU HG 1.0 0.0 4.02 624 479 A 48 LEU HBx A 49 ASN H 1.0 0.0 4.60 625 480 A 49 ASN H A 48 LEU HBy 1.0 0.0 4.65 626 481 A 48 LEU HBy A 48 LEU HDy% 1.0 0.0 3.58 627 482 A 48 LEU HDx% A 48 LEU HBy 1.0 0.0 3.58 628 483 A 50 GLY H A 48 LEU HA 1.0 0.0 4.22 629 484 A 49 ASN H A 48 LEU HA 1.0 0.0 2.90 630 485 A 48 LEU H A 51 LYS HBx 1.0 0.0 5.02 631 486 A 51 LYS H A 48 LEU H 1.0 0.0 3.56 632 487 A 50 GLY H A 48 LEU H 1.0 0.0 4.54 633 488 A 48 LEU H A 49 ASN H 1.0 0.0 4.70 634 489 A 48 LEU H A 48 LEU HG 1.0 0.0 5.02 635 490 A 48 LEU HBx A 48 LEU H 1.0 0.0 3.22 636 491 A 48 LEU H A 48 LEU HBy 1.0 0.0 3.68 637 492 A 47 GLU HGy A 52 GLU HBx 1.0 0.0 3.18 638 493 A 51 LYS H A 47 GLU HGx 1.0 0.0 4.19 639 494 A 50 GLY H A 47 GLU HGx 1.0 0.0 4.13 640 495 A 48 LEU H A 47 GLU HGx 1.0 0.0 3.42 641 496 A 51 LYS H A 47 GLU HA 1.0 0.0 5.12 642 497 A 48 LEU H A 47 GLU HA 1.0 0.0 2.69 643 498 A 47 GLU HA A 47 GLU HGx 1.0 0.0 4.08 644 499 A 47 GLU H A 55 PHE HE% 1.0 0.0 5.49 645 500 A 47 GLU H A 47 GLU HGy 1.0 0.0 5.50 646 501 A 47 GLU H A 47 GLU HGx 1.0 0.0 5.30 647 502 A 47 GLU HBx A 47 GLU H 1.0 0.0 3.58 648 503 A 47 GLU H A 47 GLU HBy 1.0 0.0 3.58 649 504 A 55 PHE HE% A 46 GLY HAx 1.0 0.0 3.89 650 505 A 47 GLU H A 46 GLY HAx 1.0 0.0 3.25 651 506 A 46 GLY HAy A 55 PHE HE% 1.0 0.0 4.33 652 507 A 47 GLU H A 46 GLY HAy 1.0 0.0 3.21 653 508 A 46 GLY H A 55 PHE HE% 1.0 0.0 3.90 654 509 A 46 GLY H A 55 PHE HD% 1.0 0.0 4.21 655 510 A 46 GLY H A 54 VAL HA 1.0 0.0 4.13 656 511 A 53 GLY H A 46 GLY H 1.0 0.0 3.47 657 512 A 46 GLY H A 52 GLU HA 1.0 0.0 5.50 658 513 A 47 GLU H A 46 GLY H 1.0 0.0 4.83 659 514 A 45 LYS HBx A 46 GLY H 1.0 0.0 5.08 660 515 A 45 LYS HBy A 46 GLY H 1.0 0.0 5.08 661 516 A 45 LYS HA A 55 PHE HE% 1.0 0.0 4.82 662 517 A 45 LYS HA A 55 PHE HD% 1.0 0.0 4.78 663 518 A 45 LYS HA A 55 PHE HBx 1.0 0.0 5.50 664 519 A 45 LYS HA A 55 PHE H 1.0 0.0 4.08 665 520 A 45 LYS HA A 54 VAL HGx% 1.0 0.0 3.80 666 521 A 45 LYS HA A 54 VAL HA 1.0 0.0 3.33 667 522 A 53 GLY H A 45 LYS HA 1.0 0.0 4.89 668 523 A 45 LYS HA A 46 GLY H 1.0 0.0 2.85 669 524 A 54 VAL HGx% A 45 LYS H 1.0 0.0 5.15 670 525 A 45 LYS H A 46 GLY H 1.0 0.0 5.04 671 526 A 45 LYS H A 45 LYS HBx 1.0 0.0 3.60 672 527 A 45 LYS HBy A 45 LYS H 1.0 0.0 3.60 673 528 A 44 TRP HZ3 A 62 GLN H 1.0 0.0 5.32 674 529 A 60 ALA HB% A 44 TRP HZ3 1.0 0.0 4.41 675 530 A 60 ALA HB% A 44 TRP HE3 1.0 0.0 4.27 676 531 A 44 TRP HE3 A 55 PHE HE% 1.0 0.0 3.46 677 532 A 44 TRP HE3 A 55 PHE HD% 1.0 0.0 5.36 678 533 A 44 TRP HD1 A 45 LYS H 1.0 0.0 4.70 679 534 A 45 LYS H A 44 TRP HA 1.0 0.0 3.18 680 535 A 44 TRP HE1 A 44 TRP HA 1.0 0.0 4.72 681 536 A 44 TRP HD1 A 44 TRP HA 1.0 0.0 3.16 682 537 A 57 ASP H A 44 TRP H 1.0 0.0 4.11 683 538 A 55 PHE HBx A 44 TRP H 1.0 0.0 5.50 684 539 A 55 PHE H A 44 TRP H 1.0 0.0 3.61 685 540 A 54 VAL HA A 44 TRP H 1.0 0.0 5.07 686 541 A 45 LYS H A 44 TRP H 1.0 0.0 4.93 687 542 A 44 TRP HD1 A 44 TRP H 1.0 0.0 4.39 688 543 A 44 TRP HBx A 44 TRP H 1.0 0.0 3.71 689 544 A 44 TRP HBy A 44 TRP H 1.0 0.0 3.75 690 545 A 55 PHE HA A 43 TRP HZ3 1.0 0.0 4.03 691 546 A 43 TRP HZ3 A 55 PHE H 1.0 0.0 5.08 692 547 A 54 VAL HGy% A 43 TRP HZ3 1.0 0.0 4.17 693 548 A 54 VAL HGy% A 43 TRP HH2 1.0 0.0 5.50 694 549 A 55 PHE HBy A 43 TRP HE3 1.0 0.0 5.48 695 550 A 55 PHE HA A 43 TRP HE3 1.0 0.0 4.11 696 551 A 55 PHE H A 43 TRP HE3 1.0 0.0 3.47 697 552 A 54 VAL HGy% A 43 TRP HE3 1.0 0.0 3.40 698 553 A 54 VAL HGx% A 43 TRP HE3 1.0 0.0 4.34 699 554 A 54 VAL HA A 43 TRP HE3 1.0 0.0 4.58 700 555 A 44 TRP H A 43 TRP HE3 1.0 0.0 4.58 701 556 A 55 PHE H A 43 TRP HBx 1.0 0.0 4.31 702 557 A 54 VAL HGy% A 43 TRP HBx 1.0 0.0 4.37 703 558 A 54 VAL HGx% A 43 TRP HBx 1.0 0.0 4.17 704 559 A 43 TRP HE3 A 43 TRP HBx 1.0 0.0 3.73 705 560 A 43 TRP HBy A 55 PHE H 1.0 0.0 5.50 706 561 A 54 VAL HGy% A 43 TRP HBy 1.0 0.0 5.20 707 562 A 43 TRP HBy A 44 TRP H 1.0 0.0 4.57 708 563 A 57 ASP H A 43 TRP HA 1.0 0.0 3.94 709 564 A 55 PHE H A 43 TRP HA 1.0 0.0 4.87 710 565 A 44 TRP H A 43 TRP HA 1.0 0.0 2.98 711 566 A 57 ASP H A 43 TRP H 1.0 0.0 5.50 712 567 A 44 TRP HD1 A 43 TRP H 1.0 0.0 5.01 713 568 A 43 TRP H A 44 TRP H 1.0 0.0 5.09 714 569 A 43 TRP HD1 A 43 TRP H 1.0 0.0 3.51 715 570 A 43 TRP H A 43 TRP HBx 1.0 0.0 4.05 716 571 A 43 TRP H A 43 TRP HBy 1.0 0.0 3.14 717 572 A 43 TRP HD1 A 42 GLY H 1.0 0.0 5.40 718 573 A 43 TRP H A 42 GLY H 1.0 0.0 3.13 719 574 A 43 TRP H A 41 ALA HB% 1.0 0.0 5.35 720 575 A 42 GLY H A 41 ALA HB% 1.0 0.0 3.64 721 576 A 43 TRP H A 41 ALA HA 1.0 0.0 4.41 722 577 A 42 GLY H A 41 ALA HA 1.0 0.0 3.12 723 578 A 41 ALA H A 42 GLY H 1.0 0.0 4.55 724 579 A 41 ALA H A 41 ALA HB% 1.0 0.0 2.62 725 580 A 43 TRP HD1 A 40 GLU HBx 1.0 0.0 4.43 726 581 A 43 TRP H A 40 GLU HBx 1.0 0.0 5.40 727 582 A 41 ALA H A 40 GLU HBx 1.0 0.0 4.72 728 583 A 43 TRP HD1 A 40 GLU HBy 1.0 0.0 4.43 729 584 A 40 GLU HBy A 43 TRP H 1.0 0.0 5.40 730 585 A 41 ALA H A 40 GLU HBy 1.0 0.0 4.72 731 586 A 41 ALA HB% A 40 GLU HA 1.0 0.0 4.91 732 587 A 41 ALA H A 40 GLU HA 1.0 0.0 2.73 733 588 A 43 TRP HBy A 40 GLU H 1.0 0.0 4.76 734 589 A 43 TRP H A 40 GLU H 1.0 0.0 5.19 735 590 A 41 ALA H A 40 GLU H 1.0 0.0 4.63 736 591 A 40 GLU H A 40 GLU HGy 1.0 0.0 4.82 737 591 A 40 GLU HGx A 40 GLU H 1.0 0.0 4.82 738 592 A 40 GLU H A 40 GLU HGy 1.0 0.0 5.50 739 593 A 40 GLU HGx A 40 GLU H 1.0 0.0 5.50 740 594 A 40 GLU H A 40 GLU HBx 1.0 0.0 3.82 741 595 A 40 GLU HBy A 40 GLU H 1.0 0.0 3.82 742 596 A 40 GLU HA A 39 GLY H 1.0 0.0 5.11 743 597 A 40 GLU H A 39 GLY H 1.0 0.0 3.07 744 598 A 55 PHE H A 38 THR HG2% 1.0 0.0 4.75 745 599 A 54 VAL HA A 38 THR HG2% 1.0 0.0 4.47 746 600 A 45 LYS HBx A 38 THR HG2% 1.0 0.0 3.77 747 601 A 45 LYS HBy A 38 THR HG2% 1.0 0.0 3.77 748 602 A 45 LYS HA A 38 THR HG2% 1.0 0.0 4.31 749 603 A 45 LYS H A 38 THR HG2% 1.0 0.0 3.50 750 604 A 44 TRP HD1 A 38 THR HG2% 1.0 0.0 4.52 751 605 A 44 TRP HA A 38 THR HG2% 1.0 0.0 3.48 752 606 A 44 TRP H A 38 THR HG2% 1.0 0.0 4.50 753 607 A 43 TRP H A 38 THR HG2% 1.0 0.0 4.94 754 608 A 40 GLU H A 38 THR HG2% 1.0 0.0 4.61 755 609 A 39 GLY H A 38 THR HG2% 1.0 0.0 4.54 756 610 A 40 GLU H A 38 THR HB 1.0 0.0 5.33 757 611 A 40 GLU H A 38 THR HA 1.0 0.0 4.93 758 612 A 39 GLY H A 38 THR HA 1.0 0.0 3.19 759 613 A 38 THR HG2% A 38 THR HA 1.0 0.0 3.30 760 614 A 43 TRP H A 38 THR H 1.0 0.0 5.39 761 615 A 40 GLU H A 38 THR H 1.0 0.0 3.51 762 616 A 38 THR H A 39 GLY HAy 1.0 0.0 4.71 763 616 A 38 THR H A 39 GLY HAx 1.0 0.0 4.71 764 617 A 38 THR H A 39 GLY HAx 1.0 0.0 5.50 765 618 A 38 THR H A 39 GLY HAy 1.0 0.0 5.50 766 619 A 38 THR H A 39 GLY H 1.0 0.0 2.88 767 620 A 38 THR H A 38 THR HG2% 1.0 0.0 3.14 768 621 A 39 GLY H A 37 GLU HBx 1.0 0.0 4.52 769 621 A 39 GLY H A 37 GLU HBy 1.0 0.0 4.52 770 622 A 38 THR H A 37 GLU HBx 1.0 0.0 4.01 771 622 A 38 THR H A 37 GLU HBy 1.0 0.0 4.01 772 623 A 39 GLY H A 37 GLU HGy 1.0 0.0 5.50 773 624 A 37 GLU HGx A 39 GLY H 1.0 0.0 5.50 774 625 A 38 THR H A 37 GLU HBx 1.0 0.0 4.64 775 626 A 38 THR H A 37 GLU HBy 1.0 0.0 4.64 776 627 A 37 GLU HA A 39 GLY H 1.0 0.0 3.72 777 628 A 37 GLU HA A 38 THR HG2% 1.0 0.0 4.86 778 629 A 38 THR H A 37 GLU HA 1.0 0.0 2.66 779 630 A 37 GLU H A 39 GLY H 1.0 0.0 5.50 780 631 A 37 GLU H A 38 THR HG2% 1.0 0.0 4.28 781 632 A 37 GLU H A 38 THR H 1.0 0.0 4.47 782 633 A 37 GLU H A 37 GLU HBx 1.0 0.0 3.57 783 633 A 37 GLU H A 37 GLU HBy 1.0 0.0 3.57 784 634 A 45 LYS H A 36 LYS HA 1.0 0.0 4.38 785 635 A 44 TRP HE1 A 36 LYS HA 1.0 0.0 4.34 786 636 A 44 TRP HD1 A 36 LYS HA 1.0 0.0 3.51 787 637 A 36 LYS HA A 44 TRP HA 1.0 0.0 3.87 788 638 A 36 LYS HA A 38 THR HG2% 1.0 0.0 4.65 789 639 A 36 LYS HGx A 36 LYS HA 1.0 0.0 3.95 790 640 A 36 LYS HGy A 36 LYS HA 1.0 0.0 3.95 791 641 A 36 LYS H A 37 GLU HBx 1.0 0.0 5.02 792 641 A 36 LYS H A 37 GLU HBy 1.0 0.0 5.02 793 642 A 36 LYS H A 37 GLU H 1.0 0.0 3.02 794 643 A 36 LYS HGx A 36 LYS H 1.0 0.0 4.14 795 644 A 36 LYS HGy A 36 LYS H 1.0 0.0 4.38 796 645 A 45 LYS H A 35 SER HBy 1.0 0.0 4.84 797 645 A 35 SER HBx A 45 LYS H 1.0 0.0 4.84 798 646 A 36 LYS H A 35 SER HBy 1.0 0.0 3.89 799 646 A 36 LYS H A 35 SER HBx 1.0 0.0 3.89 800 647 A 35 SER HBx A 45 LYS HBx 1.0 0.0 4.68 801 648 A 45 LYS HBx A 35 SER HBy 1.0 0.0 4.68 802 649 A 37 GLU H A 35 SER HA 1.0 0.0 4.07 803 650 A 36 LYS H A 35 SER HA 1.0 0.0 2.71 804 651 A 35 SER H A 46 GLY HAy 1.0 0.0 4.45 805 652 A 35 SER H A 45 LYS H 1.0 0.0 3.82 806 653 A 36 LYS H A 35 SER H 1.0 0.0 4.49 807 654 A 35 SER H A 35 SER HBy 1.0 0.0 3.36 808 654 A 35 SER HBx A 35 SER H 1.0 0.0 3.36 809 655 A 34 ILE HG2% A 52 GLU HBx 1.0 0.0 4.44 810 656 A 52 GLU HBy A 34 ILE HG2% 1.0 0.0 4.30 811 657 A 34 ILE HG2% A 35 SER HBy 1.0 0.0 4.20 812 657 A 35 SER HBx A 34 ILE HG2% 1.0 0.0 4.20 813 658 A 34 ILE HG2% A 35 SER HA 1.0 0.0 4.82 814 659 A 35 SER H A 34 ILE HG2% 1.0 0.0 3.83 815 660 A 34 ILE HG13 A 34 ILE HG2% 1.0 0.0 3.94 816 661 A 34 ILE HG2% A 34 ILE HG12 1.0 0.0 3.94 817 662 A 52 GLU HBx A 34 ILE HD1% 1.0 0.0 5.42 818 663 A 34 ILE HG13 A 47 GLU H 1.0 0.0 4.48 819 664 A 34 ILE HG13 A 46 GLY HAy 1.0 0.0 4.20 820 665 A 47 GLU H A 34 ILE HG12 1.0 0.0 4.48 821 666 A 46 GLY HAy A 34 ILE HG12 1.0 0.0 4.20 822 667 A 47 GLU H A 34 ILE HB 1.0 0.0 5.50 823 668 A 35 SER H A 34 ILE HB 1.0 0.0 3.14 824 669 A 34 ILE HG2% A 34 ILE HA 1.0 0.0 3.22 825 670 A 34 ILE HG13 A 34 ILE HA 1.0 0.0 3.86 826 671 A 34 ILE HA A 34 ILE HG12 1.0 0.0 3.86 827 672 A 34 ILE H A 46 GLY HAx 1.0 0.0 4.09 828 673 A 34 ILE H A 46 GLY HAy 1.0 0.0 3.35 829 674 A 34 ILE H A 46 GLY H 1.0 0.0 5.03 830 675 A 34 ILE H A 35 SER HA 1.0 0.0 5.16 831 676 A 34 ILE H A 35 SER H 1.0 0.0 2.87 832 677 A 34 ILE H A 34 ILE HG2% 1.0 0.0 4.02 833 678 A 34 ILE HG13 A 34 ILE H 1.0 0.0 4.33 834 679 A 34 ILE H A 34 ILE HG12 1.0 0.0 4.33 835 680 A 34 ILE H A 34 ILE HB 1.0 0.0 3.24 836 681 A 33 LEU HG A 55 PHE HE% 1.0 0.0 5.50 837 682 A 44 TRP HZ3 A 33 LEU HG 1.0 0.0 5.50 838 683 A 44 TRP HE3 A 33 LEU HG 1.0 0.0 4.17 839 684 A 36 LYS H A 33 LEU HG 1.0 0.0 5.50 840 685 A 35 SER H A 33 LEU HG 1.0 0.0 5.16 841 686 A 34 ILE H A 33 LEU HG 1.0 0.0 5.22 842 687 A 34 ILE H A 33 LEU HBx 1.0 0.0 4.58 843 688 A 47 GLU H A 33 LEU HA 1.0 0.0 5.02 844 689 A 46 GLY HAy A 33 LEU HA 1.0 0.0 4.02 845 690 A 35 SER H A 33 LEU HA 1.0 0.0 4.13 846 691 A 34 ILE H A 33 LEU HA 1.0 0.0 2.88 847 692 A 33 LEU HDy% A 33 LEU HA 1.0 0.0 3.95 848 693 A 33 LEU HG A 33 LEU HA 1.0 0.0 4.16 849 694 A 33 LEU HDy% A 33 LEU H 1.0 0.0 5.46 850 695 A 33 LEU HG A 33 LEU H 1.0 0.0 4.76 851 696 A 33 LEU HBx A 33 LEU H 1.0 0.0 3.29 852 697 A 33 LEU HBy A 33 LEU H 1.0 0.0 3.18 853 698 A 32 HIS HA A 33 LEU H 1.0 0.0 3.08 854 699 A 32 HIS H A 48 LEU HBy 1.0 0.0 5.50 855 700 A 47 GLU H A 32 HIS H 1.0 0.0 3.69 856 701 A 32 HIS H A 46 GLY HAx 1.0 0.0 5.00 857 702 A 31 ILE HG2% A 55 PHE HE% 1.0 0.0 4.01 858 703 A 31 ILE HG2% A 55 PHE HD% 1.0 0.0 4.58 859 704 A 48 LEU H A 31 ILE HG2% 1.0 0.0 5.50 860 705 A 47 GLU H A 31 ILE HG2% 1.0 0.0 3.44 861 706 A 31 ILE HG2% A 46 GLY HAx 1.0 0.0 3.60 862 707 A 31 ILE HG2% A 46 GLY HAy 1.0 0.0 4.14 863 708 A 31 ILE HG2% A 46 GLY H 1.0 0.0 5.01 864 709 A 31 ILE HG2% A 33 LEU H 1.0 0.0 4.86 865 710 A 31 ILE HG2% A 32 HIS H 1.0 0.0 3.12 866 711 A 31 ILE HG2% A 31 ILE HD1% 1.0 0.0 3.33 867 712 A 60 ALA HB% A 31 ILE HD1% 1.0 0.0 4.34 868 713 A 55 PHE HE% A 31 ILE HD1% 1.0 0.0 4.02 869 714 A 55 PHE HD% A 31 ILE HD1% 1.0 0.0 4.30 870 715 A 55 PHE HZ A 31 ILE HD1% 1.0 0.0 4.65 871 716 A 48 LEU HBy A 31 ILE HD1% 1.0 0.0 5.23 872 717 A 32 HIS H A 31 ILE HD1% 1.0 0.0 5.21 873 718 A 32 HIS H A 31 ILE HB 1.0 0.0 4.18 874 719 A 31 ILE HD1% A 31 ILE HB 1.0 0.0 3.67 875 720 A 47 GLU H A 31 ILE HA 1.0 0.0 4.96 876 721 A 32 HIS H A 31 ILE HA 1.0 0.0 2.80 877 722 A 31 ILE HG2% A 31 ILE HA 1.0 0.0 3.46 878 723 A 31 ILE HD1% A 31 ILE HA 1.0 0.0 4.44 879 724 A 31 ILE HG13 A 31 ILE HA 1.0 0.0 3.89 880 725 A 31 ILE HG12 A 31 ILE HA 1.0 0.0 3.93 881 726 A 31 ILE H A 32 HIS H 1.0 0.0 4.88 882 727 A 31 ILE H A 31 ILE HG2% 1.0 0.0 4.44 883 728 A 31 ILE H A 31 ILE HD1% 1.0 0.0 4.37 884 729 A 31 ILE H A 31 ILE HB 1.0 0.0 3.20 885 730 A 30 ILE HG2% A 32 HIS H 1.0 0.0 5.02 886 731 A 31 ILE H A 30 ILE HG2% 1.0 0.0 3.44 887 732 A 31 ILE H A 30 ILE HD1% 1.0 0.0 5.30 888 733 A 31 ILE H A 30 ILE HG13 1.0 0.0 5.50 889 734 A 31 ILE H A 30 ILE HG12 1.0 0.0 5.50 890 735 A 31 ILE H A 30 ILE HB 1.0 0.0 4.87 891 736 A 30 ILE HD1% A 30 ILE HB 1.0 0.0 3.84 892 737 A 30 ILE HA A 31 ILE HB 1.0 0.0 4.96 893 738 A 31 ILE H A 30 ILE HA 1.0 0.0 2.82 894 739 A 30 ILE HG2% A 30 ILE HA 1.0 0.0 3.57 895 740 A 30 ILE HD1% A 30 ILE HA 1.0 0.0 4.05 896 741 A 31 ILE H A 30 ILE H 1.0 0.0 4.79 897 742 A 30 ILE HG2% A 30 ILE H 1.0 0.0 4.05 898 743 A 30 ILE H A 30 ILE HD1% 1.0 0.0 4.22 899 744 A 30 ILE H A 30 ILE HB 1.0 0.0 3.02 900 745 A 29 GLU HA A 30 ILE HB 1.0 0.0 5.04 901 746 A 30 ILE H A 29 GLU HA 1.0 0.0 2.81 902 747 A 30 ILE H A 29 GLU H 1.0 0.0 4.67 903 748 A 29 GLU H A 28 GLY H 1.0 0.0 3.15 904 749 A 28 GLY H A 27 GLU HBx 1.0 0.0 4.72 905 750 A 28 GLY H A 27 GLU HBy 1.0 0.0 4.72 906 751 A 29 GLU H A 27 GLU HA 1.0 0.0 4.50 907 752 A 28 GLY H A 27 GLU HA 1.0 0.0 2.87 908 753 A 27 GLU H A 28 GLY H 1.0 0.0 4.78 909 754 A 27 GLU H A 27 GLU HBx 1.0 0.0 2.59 910 754 A 27 GLU H A 27 GLU HBy 1.0 0.0 2.59 911 755 A 27 GLU H A 27 GLU HBx 1.0 0.0 2.97 912 756 A 27 GLU H A 27 GLU HBy 1.0 0.0 2.97 913 757 A 27 GLU H A 26 ARG HDy 1.0 0.0 5.50 914 758 A 27 GLU H A 26 ARG HDx 1.0 0.0 5.50 915 759 A 27 GLU H A 26 ARG HA 1.0 0.0 2.96 916 760 A 26 ARG H A 27 GLU H 1.0 0.0 5.08 917 761 A 26 ARG H A 26 ARG HBx 1.0 0.0 3.82 918 762 A 26 ARG H A 26 ARG HBy 1.0 0.0 3.82 919 763 A 26 ARG H A 25 PHE HA 1.0 0.0 2.91 920 764 A 26 ARG H A 25 PHE H 1.0 0.0 4.77 921 765 A 26 ARG H A 24 THR HG2% 1.0 0.0 5.13 922 766 A 25 PHE HA A 24 THR HG2% 1.0 0.0 4.34 923 767 A 25 PHE H A 24 THR HG2% 1.0 0.0 2.99 924 768 A 25 PHE H A 24 THR HB 1.0 0.0 4.41 925 769 A 25 PHE H A 24 THR HA 1.0 0.0 2.68 926 770 A 24 THR HG2% A 24 THR HA 1.0 0.0 3.51 927 771 A 24 THR H A 25 PHE H 1.0 0.0 4.78 928 772 A 24 THR H A 24 THR HG2% 1.0 0.0 3.91 929 773 A 24 THR H A 24 THR HB 1.0 0.0 2.85 930 774 A 23 LEU HG A 54 VAL H 1.0 0.0 5.50 931 775 A 23 LEU HG A 53 GLY HAx 1.0 0.0 4.32 932 776 A 23 LEU HG A 53 GLY HAy 1.0 0.0 5.42 933 777 A 53 GLY H A 23 LEU HG 1.0 0.0 4.15 934 778 A 23 LEU HG A 52 GLU HA 1.0 0.0 3.98 935 779 A 52 GLU H A 23 LEU HG 1.0 0.0 5.41 936 780 A 51 LYS H A 23 LEU HG 1.0 0.0 5.50 937 781 A 23 LEU HG A 48 LEU H 1.0 0.0 4.60 938 782 A 24 THR H A 23 LEU HBx 1.0 0.0 4.47 939 783 A 24 THR H A 23 LEU HBy 1.0 0.0 4.47 940 784 A 23 LEU H A 55 PHE HBy 1.0 0.0 5.45 941 785 A 55 PHE HA A 23 LEU H 1.0 0.0 5.12 942 786 A 23 LEU H A 54 VAL H 1.0 0.0 3.90 943 787 A 23 LEU H A 53 GLY HAx 1.0 0.0 4.13 944 788 A 23 LEU H A 53 GLY HAy 1.0 0.0 5.50 945 789 A 23 LEU H A 43 TRP HZ3 1.0 0.0 5.50 946 790 A 24 THR H A 23 LEU H 1.0 0.0 4.61 947 791 A 23 LEU H A 23 LEU HBx 1.0 0.0 3.59 948 792 A 23 LEU H A 23 LEU HBy 1.0 0.0 3.59 949 793 A 43 TRP HZ3 A 22 GLU HGy 1.0 0.0 4.67 950 793 A 22 GLU HGx A 43 TRP HZ3 1.0 0.0 4.67 951 794 A 54 VAL HGy% A 22 GLU HA 1.0 0.0 3.66 952 795 A 54 VAL H A 22 GLU HA 1.0 0.0 3.07 953 796 A 22 GLU HA A 53 GLY HAx 1.0 0.0 4.84 954 797 A 23 LEU H A 22 GLU HA 1.0 0.0 2.86 955 798 A 54 VAL HGy% A 22 GLU H 1.0 0.0 4.85 956 799 A 22 GLU H A 54 VAL H 1.0 0.0 5.02 957 800 A 22 GLU H A 53 GLY HAx 1.0 0.0 5.50 958 801 A 23 LEU H A 22 GLU H 1.0 0.0 4.89 959 802 A 22 GLU HBy A 22 GLU H 1.0 0.0 3.15 960 803 A 22 GLU H A 21 ASP HBy 1.0 0.0 4.36 961 803 A 22 GLU H A 21 ASP HBx 1.0 0.0 4.36 962 804 A 21 ASP H A 22 GLU H 1.0 0.0 3.03 963 805 A 21 ASP H A 21 ASP HBy 1.0 0.0 3.12 964 805 A 21 ASP H A 21 ASP HBx 1.0 0.0 3.12 965 806 A 22 GLU H A 20 GLU HA 1.0 0.0 4.38 966 807 A 21 ASP H A 20 GLU HA 1.0 0.0 3.53 967 808 A 20 GLU H A 20 GLU HGy 1.0 0.0 3.88 968 808 A 20 GLU H A 20 GLU HGx 1.0 0.0 3.88 969 809 A 22 GLU H A 19 ASN HD2x 1.0 0.0 5.01 970 809 A 19 ASN HD2y A 22 GLU H 1.0 0.0 5.01 971 810 A 21 ASP H A 19 ASN HA 1.0 0.0 4.80 972 811 A 20 GLU H A 19 ASN HA 1.0 0.0 2.85 973 812 A 22 GLU HBy A 19 ASN H 1.0 0.0 4.33 974 813 A 20 GLU H A 19 ASN H 1.0 0.0 4.71 975 814 A 19 ASN H A 19 ASN HD2x 1.0 0.0 4.67 976 814 A 19 ASN HD2y A 19 ASN H 1.0 0.0 4.67 977 815 A 19 ASN H A 18 THR HG2% 1.0 0.0 4.01 978 816 A 19 ASN H A 18 THR HA 1.0 0.0 3.54 979 817 A 22 GLU HBy A 18 THR H 1.0 0.0 5.28 980 818 A 22 GLU H A 18 THR H 1.0 0.0 5.50 981 819 A 18 THR H A 19 ASN HD2x 1.0 0.0 5.34 982 819 A 19 ASN HD2y A 18 THR H 1.0 0.0 5.34 983 820 A 18 THR H A 19 ASN H 1.0 0.0 2.83 984 821 A 18 THR H A 18 THR HG2% 1.0 0.0 3.14 985 822 A 18 THR H A 18 THR HB 1.0 0.0 3.95 986 823 A 19 ASN H A 17 GLY HAx 1.0 0.0 4.13 987 824 A 18 THR H A 17 GLY HAx 1.0 0.0 3.40 988 825 A 19 ASN H A 17 GLY HAy 1.0 0.0 4.13 989 826 A 18 THR H A 17 GLY HAy 1.0 0.0 3.40 990 827 A 17 GLY H A 25 PHE H 1.0 0.0 5.31 991 828 A 17 GLY H A 24 THR HG2% 1.0 0.0 3.58 992 829 A 17 GLY H A 24 THR HA 1.0 0.0 3.34 993 830 A 24 THR H A 17 GLY H 1.0 0.0 4.93 994 831 A 24 THR HG2% A 16 THR HG2% 1.0 0.0 3.24 995 832 A 18 THR HA A 16 THR HG2% 1.0 0.0 4.49 996 833 A 18 THR H A 16 THR HG2% 1.0 0.0 5.39 997 834 A 17 GLY H A 16 THR HG2% 1.0 0.0 3.30 998 835 A 17 GLY H A 16 THR HB 1.0 0.0 4.57 999 836 A 25 PHE H A 16 THR HA 1.0 0.0 4.77 1000 837 A 24 THR HG2% A 16 THR HA 1.0 0.0 3.07 1001 838 A 24 THR HA A 16 THR HA 1.0 0.0 3.93 1002 839 A 17 GLY H A 16 THR HA 1.0 0.0 2.64 1003 840 A 16 THR HG2% A 16 THR HA 1.0 0.0 3.23 1004 841 A 24 THR HG2% A 16 THR H 1.0 0.0 4.71 1005 842 A 17 GLY H A 16 THR H 1.0 0.0 4.36 1006 843 A 16 THR HG2% A 16 THR H 1.0 0.0 4.00 1007 844 A 16 THR HB A 16 THR H 1.0 0.0 3.16 1008 845 A 15 TYR HE% A 55 PHE HBy 1.0 0.0 5.02 1009 846 A 55 PHE HA A 15 TYR HE% 1.0 0.0 5.16 1010 847 A 17 GLY H A 15 TYR HE% 1.0 0.0 5.11 1011 848 A 15 TYR HE% A 16 THR H 1.0 0.0 4.64 1012 849 A 15 TYR HD% A 59 PHE HE% 1.0 0.0 4.13 1013 850 A 15 TYR HD% A 59 PHE HD% 1.0 0.0 4.25 1014 851 A 15 TYR HD% A 59 PHE HZ 1.0 0.0 4.73 1015 852 A 15 TYR HD% A 25 PHE H 1.0 0.0 4.48 1016 853 A 15 TYR HD% A 24 THR HA 1.0 0.0 4.51 1017 854 A 17 GLY H A 15 TYR HD% 1.0 0.0 4.81 1018 855 A 15 TYR HD% A 16 THR H 1.0 0.0 3.77 1019 856 A 25 PHE H A 15 TYR HBx 1.0 0.0 4.65 1020 857 A 16 THR H A 15 TYR HBx 1.0 0.0 4.29 1021 858 A 25 PHE H A 15 TYR HBy 1.0 0.0 5.24 1022 859 A 15 TYR HBy A 16 THR H 1.0 0.0 4.51 1023 860 A 16 THR H A 15 TYR HA 1.0 0.0 2.74 1024 861 A 15 TYR HD% A 15 TYR HA 1.0 0.0 3.61 1025 862 A 15 TYR H A 25 PHE HD% 1.0 0.0 5.15 1026 863 A 25 PHE H A 15 TYR H 1.0 0.0 3.93 1027 864 A 15 TYR H A 24 THR HG2% 1.0 0.0 4.44 1028 865 A 15 TYR H A 16 THR H 1.0 0.0 4.74 1029 866 A 15 TYR HD% A 15 TYR H 1.0 0.0 4.76 1030 867 A 15 TYR H A 15 TYR HBx 1.0 0.0 3.56 1031 868 A 15 TYR H A 15 TYR HBy 1.0 0.0 3.96 1032 869 A 15 TYR H A 14 PRO HGx 1.0 0.0 4.82 1033 869 A 15 TYR H A 14 PRO HGy 1.0 0.0 4.82 1034 870 A 14 PRO HDy A 27 GLU HBx 1.0 0.0 3.73 1035 870 A 14 PRO HDy A 27 GLU HBy 1.0 0.0 3.73 1036 871 A 14 PRO HDy A 27 GLU HBx 1.0 0.0 4.43 1037 872 A 14 PRO HDy A 27 GLU HBy 1.0 0.0 4.43 1038 873 A 14 PRO HDy A 27 GLU H 1.0 0.0 4.34 1039 874 A 14 PRO HBx A 26 ARG HA 1.0 0.0 4.60 1040 875 A 14 PRO HBy A 26 ARG HA 1.0 0.0 4.87 1041 876 A 15 TYR H A 14 PRO HA 1.0 0.0 2.77 1042 877 A 13 PHE HD% A 14 PRO HDx 1.0 0.0 4.28 1043 878 A 59 PHE HE% A 13 PHE HBx 1.0 0.0 4.46 1044 878 A 59 PHE HE% A 13 PHE HBy 1.0 0.0 4.46 1045 879 A 59 PHE HD% A 13 PHE HBx 1.0 0.0 3.96 1046 879 A 59 PHE HD% A 13 PHE HBy 1.0 0.0 3.96 1047 880 A 14 PRO HDx A 13 PHE HBx 1.0 0.0 3.98 1048 880 A 14 PRO HDx A 13 PHE HBy 1.0 0.0 3.98 1049 881 A 13 PHE HA A 27 GLU HBx 1.0 0.0 4.27 1050 881 A 13 PHE HA A 27 GLU HBy 1.0 0.0 4.27 1051 882 A 27 GLU H A 13 PHE HA 1.0 0.0 5.41 1052 883 A 14 PRO HDy A 13 PHE HA 1.0 0.0 3.74 1053 884 A 13 PHE HA A 14 PRO HDx 1.0 0.0 3.55 1054 885 A 13 PHE HA A 13 PHE HD% 1.0 0.0 3.63 1055 886 A 60 ALA HA A 13 PHE H 1.0 0.0 5.11 1056 887 A 59 PHE HD% A 13 PHE H 1.0 0.0 4.77 1057 888 A 13 PHE H A 59 PHE HA 1.0 0.0 5.26 1058 889 A 13 PHE H A 28 GLY H 1.0 0.0 5.50 1059 890 A 13 PHE H A 27 GLU HA 1.0 0.0 4.35 1060 891 A 14 PRO HDy A 13 PHE H 1.0 0.0 5.50 1061 892 A 13 PHE H A 14 PRO HDx 1.0 0.0 5.40 1062 893 A 13 PHE H A 13 PHE HD% 1.0 0.0 4.41 1063 894 A 13 PHE H A 13 PHE HBx 1.0 0.0 3.35 1064 894 A 13 PHE H A 13 PHE HBy 1.0 0.0 3.35 1065 895 A 13 PHE H A 13 PHE HBx 1.0 0.0 3.94 1066 896 A 13 PHE H A 13 PHE HBy 1.0 0.0 3.94 1067 897 A 12 LEU HDy% A 61 VAL H 1.0 0.0 5.49 1068 898 A 60 ALA HA A 12 LEU HDx% 1.0 0.0 4.37 1069 899 A 12 LEU HDx% A 60 ALA H 1.0 0.0 4.46 1070 900 A 12 LEU HDx% A 13 PHE HD% 1.0 0.0 4.72 1071 901 A 61 VAL HB A 12 LEU HG 1.0 0.0 4.42 1072 902 A 61 VAL H A 12 LEU HG 1.0 0.0 4.20 1073 903 A 60 ALA HA A 12 LEU HG 1.0 0.0 3.64 1074 904 A 60 ALA H A 12 LEU HG 1.0 0.0 5.44 1075 905 A 13 PHE H A 12 LEU HG 1.0 0.0 4.50 1076 906 A 28 GLY H A 12 LEU HA 1.0 0.0 5.11 1077 907 A 12 LEU HG A 12 LEU HA 1.0 0.0 4.17 1078 908 A 61 VAL H A 12 LEU H 1.0 0.0 4.88 1079 909 A 60 ALA HB% A 12 LEU H 1.0 0.0 4.32 1080 910 A 60 ALA HA A 12 LEU H 1.0 0.0 3.38 1081 911 A 12 LEU H A 60 ALA H 1.0 0.0 5.04 1082 912 A 13 PHE H A 12 LEU H 1.0 0.0 2.99 1083 913 A 12 LEU H A 12 LEU HG 1.0 0.0 3.47 1084 914 A 11 THR HG2% A 60 ALA HB% 1.0 0.0 3.64 1085 915 A 11 THR HG2% A 60 ALA HA 1.0 0.0 4.63 1086 916 A 11 THR HG2% A 31 ILE HD1% 1.0 0.0 3.18 1087 917 A 11 THR HG2% A 31 ILE HG13 1.0 0.0 3.92 1088 918 A 11 THR HG2% A 31 ILE HG12 1.0 0.0 4.00 1089 919 A 31 ILE H A 11 THR HG2% 1.0 0.0 4.93 1090 920 A 11 THR HG2% A 29 GLU HBx 1.0 0.0 4.78 1091 921 A 29 GLU HBy A 11 THR HG2% 1.0 0.0 4.78 1092 922 A 29 GLU H A 11 THR HG2% 1.0 0.0 4.13 1093 923 A 11 THR HG2% A 28 GLY H 1.0 0.0 4.70 1094 924 A 26 ARG H A 11 THR HG2% 1.0 0.0 4.96 1095 925 A 11 THR HG2% A 25 PHE HD% 1.0 0.0 4.40 1096 926 A 11 THR HG2% A 25 PHE HBx 1.0 0.0 4.73 1097 927 A 11 THR HG2% A 25 PHE HBy 1.0 0.0 4.73 1098 928 A 11 THR HG2% A 13 PHE H 1.0 0.0 4.69 1099 929 A 11 THR HG2% A 12 LEU H 1.0 0.0 4.18 1100 930 A 13 PHE H A 11 THR HB 1.0 0.0 4.50 1101 931 A 11 THR HA A 61 VAL H 1.0 0.0 4.25 1102 932 A 11 THR HA A 60 ALA HB% 1.0 0.0 3.14 1103 933 A 11 THR HA A 60 ALA HA 1.0 0.0 3.34 1104 934 A 11 THR HA A 60 ALA H 1.0 0.0 5.50 1105 935 A 11 THR HA A 12 LEU HG 1.0 0.0 4.02 1106 936 A 11 THR HA A 12 LEU H 1.0 0.0 3.01 1107 937 A 11 THR HG2% A 11 THR HA 1.0 0.0 3.84 1108 938 A 11 THR H A 60 ALA HB% 1.0 0.0 4.98 1109 939 A 11 THR H A 60 ALA HA 1.0 0.0 5.08 1110 940 A 11 THR H A 31 ILE HD1% 1.0 0.0 4.98 1111 941 A 11 THR H A 30 ILE HA 1.0 0.0 4.38 1112 942 A 29 GLU H A 11 THR H 1.0 0.0 3.50 1113 943 A 11 THR H A 28 GLY H 1.0 0.0 4.74 1114 944 A 11 THR HG2% A 11 THR H 1.0 0.0 2.89 1115 945 A 11 THR H A 10 ARG HGy 1.0 0.0 4.28 1116 945 A 11 THR H A 10 ARG HGx 1.0 0.0 4.28 1117 946 A 29 GLU H A 10 ARG HGy 1.0 0.0 5.50 1118 947 A 11 THR H A 10 ARG HGy 1.0 0.0 5.01 1119 948 A 29 GLU H A 10 ARG HGx 1.0 0.0 5.50 1120 949 A 11 THR H A 10 ARG HGx 1.0 0.0 5.01 1121 950 A 11 THR H A 10 ARG HDy 1.0 0.0 5.50 1122 951 A 11 THR H A 10 ARG HDx 1.0 0.0 5.50 1123 952 A 11 THR H A 10 ARG HBx 1.0 0.0 4.59 1124 953 A 11 THR H A 10 ARG HBy 1.0 0.0 4.59 1125 954 A 61 VAL H A 10 ARG HA 1.0 0.0 5.10 1126 955 A 31 ILE H A 10 ARG HA 1.0 0.0 4.13 1127 956 A 30 ILE HG2% A 10 ARG HA 1.0 0.0 4.48 1128 957 A 30 ILE HA A 10 ARG HA 1.0 0.0 3.83 1129 958 A 29 GLU H A 10 ARG HA 1.0 0.0 5.06 1130 959 A 11 THR HG2% A 10 ARG HA 1.0 0.0 4.37 1131 960 A 11 THR H A 10 ARG HA 1.0 0.0 2.73 1132 961 A 10 ARG H A 62 GLN HA 1.0 0.0 4.43 1133 962 A 61 VAL H A 10 ARG H 1.0 0.0 3.38 1134 963 A 10 ARG H A 60 ALA HB% 1.0 0.0 4.49 1135 964 A 10 ARG H A 60 ALA HA 1.0 0.0 5.50 1136 965 A 30 ILE HG2% A 10 ARG H 1.0 0.0 5.48 1137 966 A 10 ARG H A 10 ARG HGy 1.0 0.0 4.85 1138 966 A 10 ARG H A 10 ARG HGx 1.0 0.0 4.85 1139 967 A 10 ARG H A 10 ARG HGy 1.0 0.0 5.50 1140 968 A 10 ARG H A 10 ARG HGx 1.0 0.0 5.50 1141 969 A 10 ARG H A 10 ARG HBx 1.0 0.0 3.77 1142 970 A 10 ARG HBy A 10 ARG H 1.0 0.0 3.88 1143 971 A 62 GLN HA A 9 CYS HBx 1.0 0.0 4.35 1144 972 A 60 ALA HB% A 9 CYS HBx 1.0 0.0 4.07 1145 973 A 44 TRP HZ3 A 9 CYS HBx 1.0 0.0 4.40 1146 974 A 10 ARG H A 9 CYS HBx 1.0 0.0 4.21 1147 975 A 9 CYS HBy A 62 GLN HA 1.0 0.0 4.35 1148 976 A 9 CYS HBy A 60 ALA HB% 1.0 0.0 4.07 1149 977 A 9 CYS HBy A 44 TRP HZ3 1.0 0.0 4.43 1150 978 A 10 ARG H A 9 CYS HBy 1.0 0.0 4.21 1151 979 A 31 ILE H A 9 CYS HA 1.0 0.0 5.50 1152 980 A 9 CYS H A 62 GLN HA 1.0 0.0 5.31 1153 981 A 9 CYS H A 33 LEU HBy 1.0 0.0 5.25 1154 982 A 9 CYS H A 33 LEU H 1.0 0.0 4.84 1155 983 A 32 HIS HA A 9 CYS H 1.0 0.0 4.93 1156 984 A 9 CYS H A 31 ILE HG2% 1.0 0.0 5.36 1157 985 A 9 CYS H A 31 ILE HB 1.0 0.0 4.29 1158 986 A 31 ILE H A 9 CYS H 1.0 0.0 3.66 1159 987 A 30 ILE HG2% A 9 CYS H 1.0 0.0 3.73 1160 988 A 30 ILE HA A 9 CYS H 1.0 0.0 5.13 1161 989 A 10 ARG H A 9 CYS H 1.0 0.0 4.59 1162 990 A 30 ILE HG2% A 8 TYR HE% 1.0 0.0 4.64 1163 991 A 33 LEU H A 8 TYR HD% 1.0 0.0 5.26 1164 992 A 32 HIS HA A 8 TYR HD% 1.0 0.0 4.55 1165 993 A 30 ILE HG2% A 8 TYR HD% 1.0 0.0 3.37 1166 994 A 9 CYS H A 8 TYR HD% 1.0 0.0 4.45 1167 995 A 31 ILE H A 8 TYR HBx 1.0 0.0 5.50 1168 996 A 30 ILE HG2% A 8 TYR HBx 1.0 0.0 3.76 1169 997 A 30 ILE HG2% A 8 TYR HBy 1.0 0.0 3.80 1170 998 A 33 LEU HBy A 8 TYR HA 1.0 0.0 4.55 1171 999 A 33 LEU H A 8 TYR HA 1.0 0.0 4.01 1172 1000 A 32 HIS HA A 8 TYR HA 1.0 0.0 4.23 1173 1001 A 31 ILE H A 8 TYR HA 1.0 0.0 5.48 1174 1002 A 30 ILE HG2% A 8 TYR HA 1.0 0.0 4.70 1175 1003 A 9 CYS H A 8 TYR HA 1.0 0.0 3.00 1176 1004 A 8 TYR HD% A 8 TYR HA 1.0 0.0 3.90 1177 1005 A 64 SER H A 8 TYR H 1.0 0.0 4.81 1178 1006 A 63 ILE H A 8 TYR H 1.0 0.0 4.75 1179 1007 A 30 ILE HG2% A 8 TYR H 1.0 0.0 5.50 1180 1008 A 9 CYS H A 8 TYR H 1.0 0.0 4.66 1181 1009 A 8 TYR H A 8 TYR HE% 1.0 0.0 5.50 1182 1010 A 8 TYR H A 8 TYR HD% 1.0 0.0 3.62 1183 1011 A 8 TYR H A 8 TYR HBx 1.0 0.0 4.07 1184 1012 A 8 TYR HBy A 8 TYR H 1.0 0.0 3.83 1185 1013 A 62 GLN HE2x A 7 GLU HGx 1.0 0.0 4.49 1186 1013 A 62 GLN HE2y A 7 GLU HGy 1.0 0.0 4.49 1187 1013 A 62 GLN HE2y A 7 GLU HGx 1.0 0.0 4.49 1188 1013 A 62 GLN HE2x A 7 GLU HGy 1.0 0.0 4.49 1189 1014 A 8 TYR H A 7 GLU HGx 1.0 0.0 4.95 1190 1014 A 8 TYR H A 7 GLU HGy 1.0 0.0 4.95 1191 1015 A 8 TYR HD% A 7 GLU HA 1.0 0.0 4.71 1192 1016 A 8 TYR H A 7 GLU HA 1.0 0.0 2.69 1193 1017 A 7 GLU HA A 7 GLU HGx 1.0 0.0 3.72 1194 1017 A 7 GLU HGy A 7 GLU HA 1.0 0.0 3.72 1195 1018 A 33 LEU HBx A 7 GLU H 1.0 0.0 4.91 1196 1019 A 7 GLU H A 33 LEU H 1.0 0.0 5.01 1197 1020 A 7 GLU H A 8 TYR HD% 1.0 0.0 5.05 1198 1021 A 7 GLU H A 8 TYR H 1.0 0.0 5.02 1199 1022 A 7 GLU H A 6 LYS HBy 1.0 0.0 4.13 1200 1022 A 7 GLU H A 6 LYS HBx 1.0 0.0 4.13 1201 1023 A 6 LYS HBx A 8 TYR HE% 1.0 0.0 4.93 1202 1024 A 8 TYR HE% A 6 LYS HBy 1.0 0.0 4.93 1203 1025 A 8 TYR HE% A 6 LYS HA 1.0 0.0 5.26 1204 1026 A 7 GLU H A 6 LYS HA 1.0 0.0 2.85 1205 1027 A 6 LYS H A 6 LYS HGy 1.0 0.0 4.24 1206 1027 A 6 LYS H A 6 LYS HGx 1.0 0.0 4.24 1207 1028 A 6 LYS H A 6 LYS HBy 1.0 0.0 3.51 1208 1028 A 6 LYS HBx A 6 LYS H 1.0 0.0 3.51 1209 1029 A 6 LYS H A 6 LYS HGy 1.0 0.0 4.95 1210 1030 A 6 LYS H A 6 LYS HGx 1.0 0.0 4.95 1211 1031 A 6 LYS H A 5 ALA HB% 1.0 0.0 3.75 1212 1032 A 6 LYS H A 5 ALA HA 1.0 0.0 3.42 1213 1033 A 5 ALA H A 5 ALA HB% 1.0 0.0 2.91 1214 1034 A 3 MET HA A 4 GLY H 1.0 0.0 3.10 1215 1035 A 3 MET H A 3 MET HGy 1.0 0.0 4.76 1216 1035 A 3 MET H A 3 MET HGx 1.0 0.0 4.76 1217 1036 A 3 MET H A 3 MET HBx 1.0 0.0 3.69 1218 1036 A 3 MET H A 3 MET HBy 1.0 0.0 3.69 1219 1037 A 3 MET H A 3 MET HGy 1.0 0.0 5.50 1220 1038 A 3 MET H A 3 MET HGx 1.0 0.0 5.50 1221 1039 A 2 ALA HB% A 3 MET H 1.0 0.0 4.36 1222 1040 A 3 MET H A 2 ALA HA 1.0 0.0 3.52 1223 1041 A 2 ALA HB% A 2 ALA H 1.0 0.0 3.87 stop_ save_