data_nef_c17365_2l7p 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_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 56 CYS SG 2 1 ZN ZN 1 67 CYS SG 2 1 ZN ZN 1 34 CYS SG 2 1 ZN ZN 1 31 CYS SG 2 1 ZN ZN 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 GLY start . false 2 A 2 SER middle . . 3 A 3 ARG middle . . 4 A 4 ARG middle . . 5 A 5 ALA middle . . 6 A 6 SER middle . . 7 A 7 VAL middle . . 8 A 8 GLY middle . false 9 A 9 SER middle . . 10 A 10 GLU middle . . 11 A 11 PHE middle . . 12 A 12 MET middle . . 13 A 13 VAL middle . . 14 A 14 VAL middle . . 15 A 15 ASP middle . . 16 A 16 VAL middle . . 17 A 17 THR middle . . 18 A 18 ILE middle . . 19 A 19 GLU middle . . 20 A 20 ASP middle . . 21 A 21 SER middle . . 22 A 22 TYR middle . . 23 A 23 SER middle . . 24 A 24 THR middle . . 25 A 25 GLU middle . . 26 A 26 SER middle . . 27 A 27 ALA middle . . 28 A 28 TRP middle . . 29 A 29 VAL middle . . 30 A 30 ARG middle . . 31 A 31 CYS middle -HG . 32 A 32 ASP middle . . 33 A 33 ASP middle . . 34 A 34 CYS middle -HG . 35 A 35 PHE middle . . 36 A 36 LYS middle . . 37 A 37 TRP middle . . 38 A 38 ARG middle . . 39 A 39 ARG middle . . 40 A 40 ILE middle . . 41 A 41 PRO middle . false 42 A 42 ALA middle . . 43 A 43 SER middle . . 44 A 44 VAL middle . . 45 A 45 VAL middle . . 46 A 46 GLY middle . false 47 A 47 SER middle . . 48 A 48 ILE middle . . 49 A 49 ASP middle . . 50 A 50 GLU middle . . 51 A 51 SER middle . . 52 A 52 SER middle . . 53 A 53 ARG middle . . 54 A 54 TRP middle . . 55 A 55 ILE middle . . 56 A 56 CYS middle -HG . 57 A 57 MET middle . . 58 A 58 ASN middle . . 59 A 59 ASN middle . . 60 A 60 SER middle . . 61 A 61 ASP middle . . 62 A 62 LYS middle . . 63 A 63 ARG middle . . 64 A 64 PHE middle . . 65 A 65 ALA middle . . 66 A 66 ASP middle . . 67 A 67 CYS middle -HG . 68 A 68 SER middle . . 69 A 69 LYS middle . . 70 A 70 SER middle . . 71 A 71 GLN middle . . 72 A 72 GLU middle . . 73 A 73 MET middle . . 74 A 74 SER middle . . 75 A 75 ASN middle . . 76 A 76 GLU middle . . 77 A 77 GLU middle . . 78 A 78 ILE middle . . 79 A 79 ASN middle . . 80 A 80 GLU middle . . 81 A 81 GLU middle . . 82 A 82 LEU middle . . 83 A 83 GLY middle . false 84 A 84 ILE middle . . 85 A 85 GLY middle . false 86 A 86 GLN middle . . 87 A 87 ASP middle . . 88 A 88 GLU middle . . 89 A 89 ALA middle . . 90 A 90 ASP middle . . 91 A 91 ALA middle . . 92 A 92 TYR middle . . 93 A 93 ASP middle . . 94 A 94 CYS middle . . 95 A 95 ASP middle . . 96 A 96 ALA middle . . 97 A 97 ALA middle . . 98 A 98 LYS middle . . 99 A 99 ARG middle . . 100 A 100 GLY end . false 101 B 1 ZN . . . 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 2 SER HA H 1 4.599 0.03 A 2 SER HBx H 1 3.862 0.03 A 2 SER HBy H 1 3.862 0.03 A 2 SER C C 13 174.183 0.45 A 2 SER CA C 13 58.341 0.45 A 2 SER CB C 13 64.256 0.45 A 3 ARG H H 1 8.63 0.03 A 3 ARG HA H 1 4.519 0.03 A 3 ARG HBy H 1 1.837 0.03 A 3 ARG HBx H 1 1.749 0.03 A 3 ARG HDx H 1 3.136 0.03 A 3 ARG HDy H 1 3.136 0.03 A 3 ARG HGx H 1 1.619 0.03 A 3 ARG HGy H 1 1.619 0.03 A 3 ARG C C 13 176.044 0.45 A 3 ARG CA C 13 56.012 0.45 A 3 ARG CB C 13 31.305 0.45 A 3 ARG CD C 13 43.391 0.45 A 3 ARG CG C 13 27.266 0.45 A 3 ARG N N 15 122.894 0.3 A 4 ARG H H 1 8.544 0.03 A 4 ARG HA H 1 4.41 0.03 A 4 ARG HBy H 1 1.812 0.03 A 4 ARG HBx H 1 1.696 0.03 A 4 ARG HDx H 1 3.083 0.03 A 4 ARG HDy H 1 3.083 0.03 A 4 ARG HGy H 1 1.69 0.03 A 4 ARG HGx H 1 1.608 0.03 A 4 ARG C C 13 175.736 0.45 A 4 ARG CA C 13 55.924 0.45 A 4 ARG CB C 13 31.395 0.45 A 4 ARG CD C 13 43.395 0.45 A 4 ARG CG C 13 31.406 0.45 A 4 ARG N N 15 122.654 0.3 A 5 ALA H H 1 8.45 0.03 A 5 ALA HA H 1 4.414 0.03 A 5 ALA HB% H 1 1.382 0.03 A 5 ALA C C 13 177.393 0.45 A 5 ALA CA C 13 52.32 0.45 A 5 ALA CB C 13 19.81 0.45 A 5 ALA N N 15 125.473 0.3 A 6 SER H H 1 8.357 0.03 A 6 SER HA H 1 4.497 0.03 A 6 SER HBx H 1 3.848 0.03 A 6 SER HBy H 1 3.848 0.03 A 6 SER C C 13 174.529 0.45 A 6 SER CA C 13 58.175 0.45 A 6 SER CB C 13 63.935 0.45 A 6 SER N N 15 115.375 0.3 A 7 VAL H H 1 8.222 0.03 A 7 VAL HA H 1 4.17 0.03 A 7 VAL HB H 1 2.088 0.03 A 7 VAL HGx% H 1 0.925 0.03 A 7 VAL HGy% H 1 0.925 0.03 A 7 VAL C C 13 176.625 0.45 A 7 VAL CA C 13 62.488 0.45 A 7 VAL CB C 13 32.741 0.45 A 7 VAL CGy C 13 21.136 0.45 A 7 VAL CGx C 13 20.438 0.45 A 7 VAL N N 15 121.417 0.3 A 8 GLY H H 1 8.571 0.03 A 8 GLY HAy H 1 4.08 0.03 A 8 GLY HAx H 1 3.992 0.03 A 8 GLY C C 13 174.389 0.45 A 8 GLY CA C 13 45.399 0.45 A 8 GLY N N 15 112.736 0.3 A 9 SER H H 1 8.216 0.03 A 9 SER HA H 1 4.431 0.03 A 9 SER HBx H 1 3.829 0.03 A 9 SER HBy H 1 3.879 0.03 A 9 SER C C 13 174.752 0.45 A 9 SER CA C 13 58.681 0.45 A 9 SER CB C 13 63.89 0.45 A 9 SER N N 15 115.87 0.3 A 10 GLU H H 1 8.704 0.03 A 10 GLU HA H 1 4.21 0.03 A 10 GLU HBx H 1 1.827 0.03 A 10 GLU HBy H 1 1.886 0.03 A 10 GLU HGx H 1 1.993 0.03 A 10 GLU HGy H 1 2.116 0.03 A 10 GLU C C 13 176.079 0.45 A 10 GLU CA C 13 57.069 0.45 A 10 GLU CB C 13 29.855 0.45 A 10 GLU CG C 13 36.157 0.45 A 10 GLU N N 15 122.44 0.3 A 11 PHE H H 1 8.076 0.03 A 11 PHE HA H 1 4.655 0.03 A 11 PHE HBy H 1 3.144 0.03 A 11 PHE HBx H 1 2.96 0.03 A 11 PHE HDx H 1 7.202 0.03 A 11 PHE HDy H 1 7.202 0.03 A 11 PHE HEx H 1 7.299 0.03 A 11 PHE HEy H 1 7.299 0.03 A 11 PHE C C 13 175.789 0.45 A 11 PHE CA C 13 57.565 0.45 A 11 PHE CB C 13 39.616 0.45 A 11 PHE CDx C 13 131.589 0.45 A 11 PHE CEx C 13 132.647 0.45 A 11 PHE N N 15 119.578 0.3 A 12 MET H H 1 8.096 0.03 A 12 MET HA H 1 4.479 0.03 A 12 MET HBx H 1 1.952 0.03 A 12 MET HBy H 1 1.952 0.03 A 12 MET HE% H 1 1.994 0.03 A 12 MET HGx H 1 2.442 0.03 A 12 MET HGy H 1 2.442 0.03 A 12 MET C C 13 175.337 0.45 A 12 MET CA C 13 55.251 0.45 A 12 MET CB C 13 33.38 0.45 A 12 MET CE C 13 16.975 0.45 A 12 MET CG C 13 31.86 0.45 A 12 MET N N 15 121.741 0.3 A 13 VAL H H 1 8.181 0.03 A 13 VAL HA H 1 4.147 0.03 A 13 VAL HB H 1 2.021 0.03 A 13 VAL HGx% H 1 0.922 0.03 A 13 VAL HGy% H 1 0.922 0.03 A 13 VAL C C 13 175.847 0.45 A 13 VAL CA C 13 62.246 0.45 A 13 VAL CB C 13 32.721 0.45 A 13 VAL CGx C 13 21.062 0.45 A 13 VAL N N 15 122.285 0.3 A 14 VAL H H 1 8.22 0.03 A 14 VAL HA H 1 4.156 0.03 A 14 VAL HB H 1 2.035 0.03 A 14 VAL HGx% H 1 0.904 0.03 A 14 VAL HGy% H 1 0.88 0.03 A 14 VAL C C 13 175.389 0.45 A 14 VAL CA C 13 62.032 0.45 A 14 VAL CB C 13 33.059 0.45 A 14 VAL CGx C 13 20.488 0.45 A 14 VAL CGy C 13 21.159 0.45 A 14 VAL N N 15 123.851 0.3 A 15 ASP H H 1 8.378 0.03 A 15 ASP HA H 1 4.676 0.03 A 15 ASP HBx H 1 2.579 0.03 A 15 ASP HBy H 1 2.728 0.03 A 15 ASP C C 13 176.142 0.45 A 15 ASP CA C 13 54.024 0.45 A 15 ASP CB C 13 41.321 0.45 A 15 ASP N N 15 124.226 0.3 A 16 VAL H H 1 8.122 0.03 A 16 VAL HA H 1 4.217 0.03 A 16 VAL HB H 1 2.152 0.03 A 16 VAL HGx% H 1 0.924 0.03 A 16 VAL HGy% H 1 0.924 0.03 A 16 VAL C C 13 176.287 0.45 A 16 VAL CA C 13 62.248 0.45 A 16 VAL CB C 13 32.668 0.45 A 16 VAL CGx C 13 20.201 0.45 A 16 VAL CGy C 13 21.197 0.45 A 16 VAL N N 15 120.107 0.3 A 17 THR H H 1 8.42 0.03 A 17 THR HA H 1 4.346 0.03 A 17 THR HB H 1 4.208 0.03 A 17 THR HG2% H 1 1.19 0.03 A 17 THR C C 13 174.663 0.45 A 17 THR CA C 13 62.218 0.45 A 17 THR CB C 13 69.846 0.45 A 17 THR CG2 C 13 21.828 0.45 A 17 THR N N 15 117.322 0.3 A 18 ILE H H 1 8.029 0.03 A 18 ILE HA H 1 4.204 0.03 A 18 ILE HB H 1 1.872 0.03 A 18 ILE HD1% H 1 0.845 0.03 A 18 ILE HG1y H 1 1.443 0.03 A 18 ILE HG1x H 1 1.159 0.03 A 18 ILE HG2% H 1 0.887 0.03 A 18 ILE C C 13 176.186 0.45 A 18 ILE CA C 13 61.124 0.45 A 18 ILE CB C 13 38.701 0.45 A 18 ILE CD1 C 13 12.862 0.45 A 18 ILE CG1 C 13 27.337 0.45 A 18 ILE CG2 C 13 17.508 0.45 A 18 ILE N N 15 122.855 0.3 A 19 GLU H H 1 8.443 0.03 A 19 GLU HA H 1 4.249 0.03 A 19 GLU HBy H 1 2.032 0.03 A 19 GLU HBx H 1 1.906 0.03 A 19 GLU HGx H 1 2.252 0.03 A 19 GLU HGy H 1 2.252 0.03 A 19 GLU C C 13 176.259 0.45 A 19 GLU CA C 13 56.829 0.45 A 19 GLU CB C 13 30.233 0.45 A 19 GLU CG C 13 36.314 0.45 A 19 GLU N N 15 124.649 0.3 A 20 ASP H H 1 8.313 0.03 A 20 ASP HA H 1 4.579 0.03 A 20 ASP HBx H 1 2.654 0.03 A 20 ASP HBy H 1 2.654 0.03 A 20 ASP C C 13 176.325 0.45 A 20 ASP CA C 13 54.573 0.45 A 20 ASP CB C 13 41.191 0.45 A 20 ASP N N 15 121.336 0.3 A 21 SER H H 1 8.173 0.03 A 21 SER HA H 1 4.368 0.03 A 21 SER HBx H 1 3.782 0.03 A 21 SER HBy H 1 3.782 0.03 A 21 SER C C 13 174.358 0.45 A 21 SER CA C 13 58.676 0.45 A 21 SER CB C 13 63.729 0.45 A 21 SER N N 15 115.785 0.3 A 22 TYR H H 1 8.145 0.03 A 22 TYR HA H 1 4.592 0.03 A 22 TYR HBy H 1 3.088 0.03 A 22 TYR HBx H 1 2.979 0.03 A 22 TYR HDx H 1 7.114 0.03 A 22 TYR HDy H 1 7.114 0.03 A 22 TYR HEx H 1 6.809 0.03 A 22 TYR HEy H 1 6.809 0.03 A 22 TYR C C 13 175.994 0.45 A 22 TYR CA C 13 58.097 0.45 A 22 TYR CB C 13 38.733 0.45 A 22 TYR CDx C 13 133.791 0.45 A 22 TYR CEx C 13 118.129 0.45 A 22 TYR N N 15 121.622 0.3 A 23 SER H H 1 8.184 0.03 A 23 SER HA H 1 4.486 0.03 A 23 SER HBx H 1 3.835 0.03 A 23 SER HBy H 1 3.906 0.03 A 23 SER C C 13 174.743 0.45 A 23 SER CA C 13 58.311 0.45 A 23 SER CB C 13 63.923 0.45 A 23 SER N N 15 116.692 0.3 A 24 THR H H 1 8.162 0.03 A 24 THR HA H 1 4.354 0.03 A 24 THR HB H 1 4.328 0.03 A 24 THR HG2% H 1 1.22 0.03 A 24 THR C C 13 174.525 0.45 A 24 THR CA C 13 61.73 0.45 A 24 THR CB C 13 69.595 0.45 A 24 THR CG2 C 13 21.583 0.45 A 24 THR N N 15 115.265 0.3 A 25 GLU H H 1 8.335 0.03 A 25 GLU HA H 1 4.373 0.03 A 25 GLU HBx H 1 1.938 0.03 A 25 GLU HBy H 1 2.073 0.03 A 25 GLU HGy H 1 2.319 0.03 A 25 GLU HGx H 1 2.272 0.03 A 25 GLU C C 13 176.427 0.45 A 25 GLU CA C 13 56.757 0.45 A 25 GLU CB C 13 30.337 0.45 A 25 GLU CG C 13 36.216 0.45 A 25 GLU N N 15 122.819 0.3 A 26 SER H H 1 8.462 0.03 A 26 SER HA H 1 4.801 0.03 A 26 SER HBx H 1 3.536 0.03 A 26 SER HBy H 1 3.536 0.03 A 26 SER C C 13 171.985 0.45 A 26 SER CA C 13 58.079 0.45 A 26 SER CB C 13 65.757 0.45 A 26 SER N N 15 117.945 0.3 A 27 ALA H H 1 8.91 0.03 A 27 ALA HA H 1 4.635 0.03 A 27 ALA HB% H 1 1.207 0.03 A 27 ALA C C 13 174.399 0.45 A 27 ALA CA C 13 50.685 0.45 A 27 ALA CB C 13 22.349 0.45 A 27 ALA N N 15 125.46 0.3 A 28 TRP H H 1 8.274 0.03 A 28 TRP HA H 1 5.272 0.03 A 28 TRP HBx H 1 2.67 0.03 A 28 TRP HBy H 1 3.166 0.03 A 28 TRP HD1 H 1 6.855 0.03 A 28 TRP HE1 H 1 10.072 0.03 A 28 TRP HE3 H 1 7.287 0.03 A 28 TRP HH2 H 1 6.705 0.03 A 28 TRP HZ2 H 1 7.234 0.03 A 28 TRP HZ3 H 1 6.725 0.03 A 28 TRP C C 13 175.529 0.45 A 28 TRP CA C 13 56.174 0.45 A 28 TRP CB C 13 32.096 0.45 A 28 TRP CD1 C 13 126.278 0.45 A 28 TRP CH2 C 13 123.424 0.45 A 28 TRP CZ2 C 13 114.497 0.45 A 28 TRP CZ3 C 13 120.314 0.45 A 28 TRP N N 15 118.676 0.3 A 28 TRP NE1 N 15 128.599 0.3 A 29 VAL H H 1 9.297 0.03 A 29 VAL HA H 1 4.672 0.03 A 29 VAL HB H 1 1.317 0.03 A 29 VAL HGx% H 1 -0.084 0.03 A 29 VAL HGy% H 1 0.073 0.03 A 29 VAL C C 13 172.196 0.45 A 29 VAL CA C 13 59.452 0.45 A 29 VAL CB C 13 35.26 0.45 A 29 VAL CGx C 13 19.398 0.45 A 29 VAL CGy C 13 19.491 0.45 A 29 VAL N N 15 121.179 0.3 A 30 ARG H H 1 8.016 0.03 A 30 ARG HA H 1 4.504 0.03 A 30 ARG HBy H 1 1.001 0.03 A 30 ARG HBx H 1 -0.016 0.03 A 30 ARG HDx H 1 2.303 0.03 A 30 ARG HDy H 1 2.303 0.03 A 30 ARG HE H 1 6.594 0.03 A 30 ARG HGy H 1 0.609 0.03 A 30 ARG HGx H 1 0.124 0.03 A 30 ARG C C 13 175.806 0.45 A 30 ARG CA C 13 53.949 0.45 A 30 ARG CB C 13 31.613 0.45 A 30 ARG CD C 13 43.78 0.45 A 30 ARG CG C 13 26.33 0.45 A 30 ARG N N 15 126.232 0.3 A 30 ARG NE N 15 108.74 0.3 A 31 CYS H H 1 8.685 0.03 A 31 CYS HA H 1 4.755 0.03 A 31 CYS HBx H 1 3.329 0.03 A 31 CYS HBy H 1 3.556 0.03 A 31 CYS C C 13 178.193 0.45 A 31 CYS CA C 13 59.675 0.45 A 31 CYS CB C 13 32.383 0.45 A 31 CYS N N 15 127.436 0.3 A 32 ASP H H 1 9.481 0.03 A 32 ASP HA H 1 4.547 0.03 A 32 ASP HBx H 1 2.518 0.03 A 32 ASP HBy H 1 2.652 0.03 A 32 ASP C C 13 174.928 0.45 A 32 ASP CA C 13 57.185 0.45 A 32 ASP CB C 13 42.336 0.45 A 32 ASP N N 15 128.794 0.3 A 33 ASP H H 1 9.464 0.03 A 33 ASP HA H 1 4.844 0.03 A 33 ASP HBx H 1 2.499 0.03 A 33 ASP HBy H 1 2.593 0.03 A 33 ASP C C 13 176.846 0.45 A 33 ASP CA C 13 55.76 0.45 A 33 ASP CB C 13 42.231 0.45 A 33 ASP N N 15 121.055 0.3 A 34 CYS H H 1 9.104 0.03 A 34 CYS HA H 1 4.79 0.03 A 34 CYS HBy H 1 3.312 0.03 A 34 CYS HBx H 1 2.783 0.03 A 34 CYS C C 13 176.707 0.45 A 34 CYS CA C 13 59.001 0.45 A 34 CYS CB C 13 32.302 0.45 A 34 CYS N N 15 121.687 0.3 A 35 PHE H H 1 7.702 0.03 A 35 PHE HA H 1 4.42 0.03 A 35 PHE HBx H 1 3.325 0.03 A 35 PHE HBy H 1 3.325 0.03 A 35 PHE HDx H 1 7.069 0.03 A 35 PHE HDy H 1 7.069 0.03 A 35 PHE HEx H 1 7.292 0.03 A 35 PHE HEy H 1 7.292 0.03 A 35 PHE C C 13 174.905 0.45 A 35 PHE CA C 13 59.14 0.45 A 35 PHE CB C 13 36.408 0.45 A 35 PHE CDx C 13 131.116 0.45 A 35 PHE CEx C 13 131.236 0.45 A 35 PHE N N 15 118.769 0.3 A 36 LYS H H 1 8.69 0.03 A 36 LYS HA H 1 4.528 0.03 A 36 LYS HBx H 1 2.091 0.03 A 36 LYS HBy H 1 2.091 0.03 A 36 LYS HDx H 1 1.681 0.03 A 36 LYS HDy H 1 1.681 0.03 A 36 LYS HEx H 1 2.969 0.03 A 36 LYS HEy H 1 2.969 0.03 A 36 LYS HGx H 1 1.49 0.03 A 36 LYS HGy H 1 1.49 0.03 A 36 LYS C C 13 176.115 0.45 A 36 LYS CA C 13 58.067 0.45 A 36 LYS CB C 13 33.952 0.45 A 36 LYS CE C 13 42.717 0.45 A 36 LYS CG C 13 26.631 0.45 A 36 LYS N N 15 121.499 0.3 A 37 TRP H H 1 8.554 0.03 A 37 TRP HA H 1 5.007 0.03 A 37 TRP HBx H 1 2.685 0.03 A 37 TRP HBy H 1 3.188 0.03 A 37 TRP HD1 H 1 7.293 0.03 A 37 TRP HE1 H 1 9.944 0.03 A 37 TRP HE3 H 1 7.277 0.03 A 37 TRP HH2 H 1 7.006 0.03 A 37 TRP HZ2 H 1 7.299 0.03 A 37 TRP HZ3 H 1 6.845 0.03 A 37 TRP C C 13 177.215 0.45 A 37 TRP CA C 13 56.662 0.45 A 37 TRP CB C 13 31.719 0.45 A 37 TRP CD1 C 13 127.507 0.45 A 37 TRP CE3 C 13 120.193 0.45 A 37 TRP CH2 C 13 124.254 0.45 A 37 TRP CZ2 C 13 114.464 0.45 A 37 TRP CZ3 C 13 121.767 0.45 A 37 TRP N N 15 120.92 0.3 A 37 TRP NE1 N 15 128.239 0.3 A 38 ARG H H 1 10.07 0.03 A 38 ARG HA H 1 4.553 0.03 A 38 ARG HBx H 1 2.011 0.03 A 38 ARG HBy H 1 2.011 0.03 A 38 ARG HDx H 1 3.184 0.03 A 38 ARG HDy H 1 3.184 0.03 A 38 ARG HE H 1 8.826 0.03 A 38 ARG HGx H 1 1.668 0.03 A 38 ARG HGy H 1 1.668 0.03 A 38 ARG C C 13 173.478 0.45 A 38 ARG CA C 13 52.987 0.45 A 38 ARG CB C 13 33.499 0.45 A 38 ARG CD C 13 44.718 0.45 A 38 ARG N N 15 122.094 0.3 A 38 ARG NE N 15 111.822 0.3 A 39 ARG H H 1 8.188 0.03 A 39 ARG HA H 1 3.773 0.03 A 39 ARG HBy H 1 1.015 0.03 A 39 ARG HBx H 1 0.357 0.03 A 39 ARG HDx H 1 2.738 0.03 A 39 ARG HDy H 1 2.738 0.03 A 39 ARG HE H 1 7.365 0.03 A 39 ARG HGy H 1 0.51 0.03 A 39 ARG HGx H 1 0.379 0.03 A 39 ARG C C 13 176.524 0.45 A 39 ARG CA C 13 55.492 0.45 A 39 ARG CB C 13 30.651 0.45 A 39 ARG CD C 13 43.465 0.45 A 39 ARG CG C 13 26.651 0.45 A 39 ARG N N 15 125.822 0.3 A 39 ARG NE N 15 107.41 0.3 A 40 ILE H H 1 8.674 0.03 A 40 ILE HA H 1 4.873 0.03 A 40 ILE HB H 1 1.677 0.03 A 40 ILE HD1% H 1 0.394 0.03 A 40 ILE HG1y H 1 1.032 0.03 A 40 ILE HG1x H 1 0.662 0.03 A 40 ILE HG2% H 1 0.657 0.03 A 40 ILE CA C 13 57.785 0.45 A 40 ILE CB C 13 40.351 0.45 A 40 ILE CD1 C 13 13.607 0.45 A 40 ILE CG1 C 13 25.295 0.45 A 40 ILE CG2 C 13 17.468 0.45 A 40 ILE N N 15 124.21 0.3 A 41 PRO HA H 1 4.474 0.03 A 41 PRO HBy H 1 2.425 0.03 A 41 PRO HBx H 1 1.874 0.03 A 41 PRO HDx H 1 3.491 0.03 A 41 PRO HDy H 1 3.915 0.03 A 41 PRO HGx H 1 1.911 0.03 A 41 PRO HGy H 1 2.092 0.03 A 41 PRO C C 13 177.841 0.45 A 41 PRO CA C 13 63.042 0.45 A 41 PRO CB C 13 31.97 0.45 A 41 PRO CD C 13 50.794 0.45 A 41 PRO CG C 13 27.864 0.45 A 42 ALA H H 1 8.519 0.03 A 42 ALA HA H 1 3.884 0.03 A 42 ALA HB% H 1 1.237 0.03 A 42 ALA C C 13 179.268 0.45 A 42 ALA CA C 13 54.555 0.45 A 42 ALA CB C 13 18.191 0.45 A 42 ALA N N 15 126.105 0.3 A 43 SER H H 1 8.308 0.03 A 43 SER HA H 1 4.179 0.03 A 43 SER HBx H 1 3.86 0.03 A 43 SER HBy H 1 3.94 0.03 A 43 SER C C 13 175.807 0.45 A 43 SER CA C 13 59.727 0.45 A 43 SER CB C 13 62.666 0.45 A 43 SER N N 15 111.263 0.3 A 44 VAL H H 1 7.609 0.03 A 44 VAL HA H 1 4.179 0.03 A 44 VAL HB H 1 2.204 0.03 A 44 VAL HGx% H 1 0.962 0.03 A 44 VAL HGy% H 1 1.015 0.03 A 44 VAL C C 13 177.559 0.45 A 44 VAL CA C 13 62.979 0.45 A 44 VAL CB C 13 32.221 0.45 A 44 VAL CGx C 13 21.319 0.45 A 44 VAL CGy C 13 21.521 0.45 A 44 VAL N N 15 119.794 0.3 A 45 VAL H H 1 7.424 0.03 A 45 VAL HA H 1 3.616 0.03 A 45 VAL HB H 1 1.957 0.03 A 45 VAL HGx% H 1 0.865 0.03 A 45 VAL HGy% H 1 0.858 0.03 A 45 VAL C C 13 177.103 0.45 A 45 VAL CA C 13 65.202 0.45 A 45 VAL CB C 13 31.764 0.45 A 45 VAL CGx C 13 20.751 0.45 A 45 VAL CGy C 13 22.211 0.45 A 45 VAL N N 15 121.799 0.3 A 46 GLY H H 1 8.366 0.03 A 46 GLY HAx H 1 3.915 0.03 A 46 GLY HAy H 1 3.991 0.03 A 46 GLY C C 13 174.518 0.45 A 46 GLY CA C 13 45.94 0.45 A 46 GLY N N 15 108.605 0.3 A 47 SER H H 1 7.914 0.03 A 47 SER HA H 1 4.55 0.03 A 47 SER HBx H 1 3.981 0.03 A 47 SER HBy H 1 3.981 0.03 A 47 SER C C 13 174.492 0.45 A 47 SER CA C 13 58.565 0.45 A 47 SER CB C 13 64.228 0.45 A 47 SER N N 15 114.76 0.3 A 48 ILE H H 1 7.71 0.03 A 48 ILE HA H 1 4.169 0.03 A 48 ILE HB H 1 1.892 0.03 A 48 ILE HD1% H 1 0.697 0.03 A 48 ILE HG1x H 1 1.153 0.03 A 48 ILE HG1y H 1 1.568 0.03 A 48 ILE HG2% H 1 0.872 0.03 A 48 ILE C C 13 175.85 0.45 A 48 ILE CA C 13 61.66 0.45 A 48 ILE CB C 13 38.386 0.45 A 48 ILE CD1 C 13 13.304 0.45 A 48 ILE CG1 C 13 27.329 0.45 A 48 ILE CG2 C 13 17.423 0.45 A 48 ILE N N 15 123.473 0.3 A 49 ASP H H 1 8.457 0.03 A 49 ASP HA H 1 4.656 0.03 A 49 ASP HBx H 1 2.791 0.03 A 49 ASP HBy H 1 2.791 0.03 A 49 ASP C C 13 177.171 0.45 A 49 ASP CA C 13 54.019 0.45 A 49 ASP CB C 13 41.643 0.45 A 49 ASP N N 15 125.603 0.3 A 50 GLU H H 1 8.682 0.03 A 50 GLU HA H 1 4.228 0.03 A 50 GLU HBx H 1 2.081 0.03 A 50 GLU HBy H 1 2.119 0.03 A 50 GLU HGx H 1 2.344 0.03 A 50 GLU HGy H 1 2.344 0.03 A 50 GLU C C 13 176.933 0.45 A 50 GLU CA C 13 58.244 0.45 A 50 GLU CB C 13 29.694 0.45 A 50 GLU CG C 13 36.467 0.45 A 50 GLU N N 15 121.871 0.3 A 51 SER H H 1 8.447 0.03 A 51 SER HA H 1 4.532 0.03 A 51 SER HBy H 1 4.016 0.03 A 51 SER HBx H 1 3.957 0.03 A 51 SER C C 13 174.591 0.45 A 51 SER CA C 13 58.793 0.45 A 51 SER CB C 13 63.947 0.45 A 51 SER N N 15 114.757 0.3 A 52 SER H H 1 7.99 0.03 A 52 SER HA H 1 4.536 0.03 A 52 SER HBx H 1 3.953 0.03 A 52 SER HBy H 1 3.953 0.03 A 52 SER C C 13 173.508 0.45 A 52 SER CA C 13 58.412 0.45 A 52 SER CB C 13 64.273 0.45 A 52 SER N N 15 118.326 0.3 A 53 ARG H H 1 8.315 0.03 A 53 ARG HA H 1 4.56 0.03 A 53 ARG HBx H 1 1.726 0.03 A 53 ARG HBy H 1 1.726 0.03 A 53 ARG HDx H 1 3.146 0.03 A 53 ARG HDy H 1 3.237 0.03 A 53 ARG HGx H 1 1.484 0.03 A 53 ARG HGy H 1 1.484 0.03 A 53 ARG C C 13 175.032 0.45 A 53 ARG CA C 13 55.781 0.45 A 53 ARG CB C 13 31.561 0.45 A 53 ARG CD C 13 43.358 0.45 A 53 ARG CG C 13 27.911 0.45 A 53 ARG N N 15 122.755 0.3 A 54 TRP H H 1 9.192 0.03 A 54 TRP HA H 1 4.377 0.03 A 54 TRP HBy H 1 3.33 0.03 A 54 TRP HBx H 1 2.899 0.03 A 54 TRP HD1 H 1 7.23 0.03 A 54 TRP HE1 H 1 10.053 0.03 A 54 TRP HE3 H 1 7.185 0.03 A 54 TRP HH2 H 1 6.775 0.03 A 54 TRP HZ2 H 1 6.785 0.03 A 54 TRP HZ3 H 1 6.605 0.03 A 54 TRP C C 13 174.293 0.45 A 54 TRP CA C 13 59.878 0.45 A 54 TRP CB C 13 31.967 0.45 A 54 TRP CD1 C 13 126.174 0.45 A 54 TRP CE3 C 13 121.856 0.45 A 54 TRP CH2 C 13 122.72 0.45 A 54 TRP CZ2 C 13 112.805 0.45 A 54 TRP CZ3 C 13 120.227 0.45 A 54 TRP N N 15 129.055 0.3 A 54 TRP NE1 N 15 127.881 0.3 A 55 ILE H H 1 7.025 0.03 A 55 ILE HA H 1 5.682 0.03 A 55 ILE HB H 1 1.86 0.03 A 55 ILE HD1% H 1 0.758 0.03 A 55 ILE HG1x H 1 0.766 0.03 A 55 ILE HG1y H 1 0.766 0.03 A 55 ILE HG2% H 1 0.775 0.03 A 55 ILE C C 13 175.625 0.45 A 55 ILE CA C 13 58.122 0.45 A 55 ILE CB C 13 42.876 0.45 A 55 ILE CD1 C 13 13.718 0.45 A 55 ILE CG1 C 13 25.1 0.45 A 55 ILE CG2 C 13 18.22 0.45 A 55 ILE N N 15 119.387 0.3 A 56 CYS H H 1 8.603 0.03 A 56 CYS HA H 1 3.563 0.03 A 56 CYS HBx H 1 2.745 0.03 A 56 CYS HBy H 1 2.882 0.03 A 56 CYS C C 13 177.372 0.45 A 56 CYS CA C 13 66.706 0.45 A 56 CYS CB C 13 29.748 0.45 A 56 CYS N N 15 121.275 0.3 A 57 MET H H 1 7.688 0.03 A 57 MET HA H 1 4.321 0.03 A 57 MET HBx H 1 1.961 0.03 A 57 MET HBy H 1 1.961 0.03 A 57 MET HE% H 1 2.087 0.03 A 57 MET HGx H 1 2.522 0.03 A 57 MET HGy H 1 2.522 0.03 A 57 MET C C 13 176.433 0.45 A 57 MET CA C 13 57.885 0.45 A 57 MET CB C 13 32.386 0.45 A 57 MET CE C 13 16.921 0.45 A 57 MET CG C 13 31.587 0.45 A 57 MET N N 15 113.172 0.3 A 58 ASN H H 1 8.186 0.03 A 58 ASN HA H 1 4.428 0.03 A 58 ASN HBx H 1 1.728 0.03 A 58 ASN HBy H 1 2.742 0.03 A 58 ASN HD2x H 1 6.783 0.03 A 58 ASN HD2y H 1 6.873 0.03 A 58 ASN CB C 13 38.447 0.45 A 58 ASN N N 15 116.715 0.3 A 58 ASN ND2 N 15 107.245 0.3 A 59 ASN H H 1 8.103 0.03 A 59 ASN HA H 1 4.613 0.03 A 59 ASN HBy H 1 3.336 0.03 A 59 ASN HBx H 1 3.035 0.03 A 59 ASN HD2y H 1 8.381 0.03 A 59 ASN HD2x H 1 7.702 0.03 A 59 ASN C C 13 175.697 0.45 A 59 ASN CA C 13 53.895 0.45 A 59 ASN CB C 13 38.943 0.45 A 59 ASN N N 15 121.766 0.3 A 59 ASN ND2 N 15 111.789 0.3 A 60 SER H H 1 8.777 0.03 A 60 SER HA H 1 4.299 0.03 A 60 SER HBy H 1 4.055 0.03 A 60 SER HBx H 1 4.02 0.03 A 60 SER C C 13 174.617 0.45 A 60 SER CA C 13 60.042 0.45 A 60 SER CB C 13 63.192 0.45 A 60 SER N N 15 121.841 0.3 A 61 ASP H H 1 7.807 0.03 A 61 ASP HA H 1 4.682 0.03 A 61 ASP HBx H 1 2.669 0.03 A 61 ASP HBy H 1 3.204 0.03 A 61 ASP C C 13 176.705 0.45 A 61 ASP CA C 13 52.81 0.45 A 61 ASP CB C 13 40.426 0.45 A 61 ASP N N 15 121.382 0.3 A 62 LYS H H 1 8.492 0.03 A 62 LYS HA H 1 4.035 0.03 A 62 LYS HBx H 1 1.854 0.03 A 62 LYS HBy H 1 1.963 0.03 A 62 LYS HDx H 1 1.606 0.03 A 62 LYS HDy H 1 1.606 0.03 A 62 LYS HEx H 1 3.023 0.03 A 62 LYS HEy H 1 3.023 0.03 A 62 LYS HGx H 1 1.584 0.03 A 62 LYS HGy H 1 1.584 0.03 A 62 LYS C C 13 178.026 0.45 A 62 LYS CA C 13 57.16 0.45 A 62 LYS CB C 13 31.054 0.45 A 62 LYS CD C 13 28.774 0.45 A 62 LYS CE C 13 42.424 0.45 A 62 LYS CG C 13 24.373 0.45 A 62 LYS N N 15 124.064 0.3 A 63 ARG H H 1 8.041 0.03 A 63 ARG HA H 1 3.888 0.03 A 63 ARG HBx H 1 1.029 0.03 A 63 ARG HBy H 1 1.531 0.03 A 63 ARG HDx H 1 3.258 0.03 A 63 ARG HDy H 1 3.258 0.03 A 63 ARG HGx H 1 1.439 0.03 A 63 ARG HGy H 1 1.583 0.03 A 63 ARG C C 13 176.952 0.45 A 63 ARG CA C 13 58.187 0.45 A 63 ARG CB C 13 30.731 0.45 A 63 ARG CD C 13 43.325 0.45 A 63 ARG CG C 13 26.219 0.45 A 63 ARG N N 15 118.443 0.3 A 64 PHE H H 1 7.538 0.03 A 64 PHE HA H 1 4.834 0.03 A 64 PHE HBx H 1 2.575 0.03 A 64 PHE HBy H 1 3.558 0.03 A 64 PHE HDx H 1 7.291 0.03 A 64 PHE HDy H 1 7.291 0.03 A 64 PHE HEx H 1 7.249 0.03 A 64 PHE HEy H 1 7.249 0.03 A 64 PHE C C 13 175.547 0.45 A 64 PHE CA C 13 55.698 0.45 A 64 PHE CB C 13 40.987 0.45 A 64 PHE CDx C 13 129.464 0.45 A 64 PHE CEx C 13 129.717 0.45 A 64 PHE N N 15 114.183 0.3 A 65 ALA H H 1 7.302 0.03 A 65 ALA HA H 1 5.013 0.03 A 65 ALA HB% H 1 1.433 0.03 A 65 ALA C C 13 175.07 0.45 A 65 ALA CA C 13 51.445 0.45 A 65 ALA CB C 13 19.602 0.45 A 65 ALA N N 15 122.907 0.3 A 66 ASP H H 1 7.274 0.03 A 66 ASP HA H 1 4.663 0.03 A 66 ASP HBx H 1 2.527 0.03 A 66 ASP HBy H 1 2.782 0.03 A 66 ASP C C 13 175.918 0.45 A 66 ASP CA C 13 53.996 0.45 A 66 ASP CB C 13 45.262 0.45 A 66 ASP N N 15 114.147 0.3 A 67 CYS H H 1 8.537 0.03 A 67 CYS HA H 1 4.921 0.03 A 67 CYS HBy H 1 3.017 0.03 A 67 CYS HBx H 1 2.66 0.03 A 67 CYS C C 13 175.728 0.45 A 67 CYS CA C 13 62.764 0.45 A 67 CYS CB C 13 30.808 0.45 A 67 CYS N N 15 124.963 0.3 A 68 SER H H 1 8.86 0.03 A 68 SER HA H 1 4.309 0.03 A 68 SER HBx H 1 3.858 0.03 A 68 SER HBy H 1 3.975 0.03 A 68 SER C C 13 176.044 0.45 A 68 SER CA C 13 59.702 0.45 A 68 SER CB C 13 63.684 0.45 A 68 SER N N 15 113.133 0.3 A 69 LYS H H 1 7.659 0.03 A 69 LYS HA H 1 4.479 0.03 A 69 LYS HBx H 1 2.078 0.03 A 69 LYS HBy H 1 2.225 0.03 A 69 LYS HDx H 1 1.702 0.03 A 69 LYS HDy H 1 1.702 0.03 A 69 LYS HEx H 1 2.904 0.03 A 69 LYS HEy H 1 2.904 0.03 A 69 LYS HGx H 1 1.604 0.03 A 69 LYS HGy H 1 1.604 0.03 A 69 LYS C C 13 178.233 0.45 A 69 LYS CA C 13 54.662 0.45 A 69 LYS CB C 13 31.622 0.45 A 69 LYS CG C 13 24.305 0.45 A 69 LYS N N 15 122.83 0.3 A 70 SER H H 1 8.967 0.03 A 70 SER HA H 1 4.245 0.03 A 70 SER HBx H 1 3.96 0.03 A 70 SER HBy H 1 4.071 0.03 A 70 SER C C 13 174.311 0.45 A 70 SER CA C 13 59.312 0.45 A 70 SER CB C 13 63.543 0.45 A 70 SER N N 15 121.322 0.3 A 71 GLN H H 1 9.038 0.03 A 71 GLN HA H 1 4.188 0.03 A 71 GLN HBx H 1 2.15 0.03 A 71 GLN HBy H 1 2.208 0.03 A 71 GLN HE2x H 1 7.584 0.03 A 71 GLN HE2y H 1 8.144 0.03 A 71 GLN HGx H 1 2.943 0.03 A 71 GLN HGy H 1 2.943 0.03 A 71 GLN C C 13 177.485 0.45 A 71 GLN CA C 13 57.525 0.45 A 71 GLN CB C 13 31.765 0.45 A 71 GLN CG C 13 36.342 0.45 A 71 GLN N N 15 123.59 0.3 A 71 GLN NE2 N 15 113.203 0.3 A 72 GLU H H 1 9.505 0.03 A 72 GLU HA H 1 3.968 0.03 A 72 GLU HBx H 1 1.706 0.03 A 72 GLU HBy H 1 1.706 0.03 A 72 GLU HGx H 1 2.228 0.03 A 72 GLU HGy H 1 2.328 0.03 A 72 GLU C C 13 175.135 0.45 A 72 GLU CA C 13 59.16 0.45 A 72 GLU CB C 13 31.104 0.45 A 72 GLU CG C 13 35.938 0.45 A 72 GLU N N 15 127.335 0.3 A 73 MET H H 1 7.237 0.03 A 73 MET HA H 1 4.73 0.03 A 73 MET HBx H 1 1.74 0.03 A 73 MET HBy H 1 2.232 0.03 A 73 MET HE% H 1 1.985 0.03 A 73 MET HGx H 1 2.431 0.03 A 73 MET HGy H 1 2.496 0.03 A 73 MET C C 13 174.403 0.45 A 73 MET CA C 13 53.774 0.45 A 73 MET CB C 13 36.633 0.45 A 73 MET CE C 13 17.036 0.45 A 73 MET CG C 13 31.872 0.45 A 73 MET N N 15 113.286 0.3 A 74 SER H H 1 8.789 0.03 A 74 SER HA H 1 4.442 0.03 A 74 SER HBx H 1 4.029 0.03 A 74 SER HBy H 1 4.298 0.03 A 74 SER C C 13 174.455 0.45 A 74 SER CA C 13 57.99 0.45 A 74 SER CB C 13 64.942 0.45 A 74 SER N N 15 116.635 0.3 A 75 ASN H H 1 9.043 0.03 A 75 ASN HA H 1 4.16 0.03 A 75 ASN HBx H 1 2.74 0.03 A 75 ASN HBy H 1 2.74 0.03 A 75 ASN HD2y H 1 7.654 0.03 A 75 ASN HD2x H 1 6.997 0.03 A 75 ASN C C 13 176.869 0.45 A 75 ASN CA C 13 55.95 0.45 A 75 ASN CB C 13 37.557 0.45 A 75 ASN N N 15 119.833 0.3 A 75 ASN ND2 N 15 111.383 0.3 A 76 GLU H H 1 8.799 0.03 A 76 GLU HA H 1 3.966 0.03 A 76 GLU HBy H 1 2.026 0.03 A 76 GLU HBx H 1 1.939 0.03 A 76 GLU HGx H 1 2.246 0.03 A 76 GLU HGy H 1 2.422 0.03 A 76 GLU C C 13 178.768 0.45 A 76 GLU CA C 13 60.128 0.45 A 76 GLU CB C 13 28.916 0.45 A 76 GLU CG C 13 37.213 0.45 A 76 GLU N N 15 118.742 0.3 A 77 GLU H H 1 7.706 0.03 A 77 GLU HA H 1 3.96 0.03 A 77 GLU HBx H 1 2.063 0.03 A 77 GLU HBy H 1 2.063 0.03 A 77 GLU HGx H 1 2.25 0.03 A 77 GLU HGy H 1 2.25 0.03 A 77 GLU C C 13 178.996 0.45 A 77 GLU CA C 13 58.782 0.45 A 77 GLU CB C 13 30.227 0.45 A 77 GLU CG C 13 37.55 0.45 A 77 GLU N N 15 120.733 0.3 A 78 ILE H H 1 7.929 0.03 A 78 ILE HA H 1 3.031 0.03 A 78 ILE HB H 1 1.08 0.03 A 78 ILE HD1% H 1 -0.1 0.03 A 78 ILE HG1y H 1 0.914 0.03 A 78 ILE HG1x H 1 -0.454 0.03 A 78 ILE HG2% H 1 -0.642 0.03 A 78 ILE C C 13 176.915 0.45 A 78 ILE CA C 13 64.398 0.45 A 78 ILE CB C 13 37.41 0.45 A 78 ILE CD1 C 13 13.766 0.45 A 78 ILE CG1 C 13 28.339 0.45 A 78 ILE CG2 C 13 15.082 0.45 A 78 ILE N N 15 122.597 0.3 A 79 ASN H H 1 8.019 0.03 A 79 ASN HA H 1 4.143 0.03 A 79 ASN HBx H 1 2.72 0.03 A 79 ASN HBy H 1 2.72 0.03 A 79 ASN HD2y H 1 7.369 0.03 A 79 ASN HD2x H 1 6.57 0.03 A 79 ASN C C 13 177.631 0.45 A 79 ASN CA C 13 55.149 0.45 A 79 ASN CB C 13 37.418 0.45 A 79 ASN CG C 13 173.581 0.45 A 79 ASN N N 15 118.555 0.3 A 79 ASN ND2 N 15 109.305 0.3 A 80 GLU H H 1 7.647 0.03 A 80 GLU HA H 1 4.038 0.03 A 80 GLU HBx H 1 2.032 0.03 A 80 GLU HBy H 1 2.032 0.03 A 80 GLU HGy H 1 2.309 0.03 A 80 GLU HGx H 1 2.2 0.03 A 80 GLU C C 13 178.694 0.45 A 80 GLU CA C 13 58.746 0.45 A 80 GLU CB C 13 29.591 0.45 A 80 GLU CG C 13 36.208 0.45 A 80 GLU N N 15 119.398 0.3 A 81 GLU H H 1 7.834 0.03 A 81 GLU HA H 1 4.04 0.03 A 81 GLU HBx H 1 2.045 0.03 A 81 GLU HBy H 1 2.045 0.03 A 81 GLU HGx H 1 2.291 0.03 A 81 GLU HGy H 1 2.291 0.03 A 81 GLU C C 13 178.256 0.45 A 81 GLU CA C 13 58.894 0.45 A 81 GLU CB C 13 29.654 0.45 A 81 GLU CG C 13 36.516 0.45 A 81 GLU N N 15 121.214 0.3 A 82 LEU H H 1 8.02 0.03 A 82 LEU HA H 1 4.164 0.03 A 82 LEU HBx H 1 1.388 0.03 A 82 LEU HBy H 1 1.575 0.03 A 82 LEU HDx% H 1 0.29 0.03 A 82 LEU HDy% H 1 0.688 0.03 A 82 LEU HG H 1 1.406 0.03 A 82 LEU C C 13 177.915 0.45 A 82 LEU CA C 13 55.495 0.45 A 82 LEU CB C 13 42.827 0.45 A 82 LEU CDy C 13 25.259 0.45 A 82 LEU CDx C 13 22.709 0.45 A 82 LEU CG C 13 26.292 0.45 A 82 LEU N N 15 117.79 0.3 A 83 GLY H H 1 7.852 0.03 A 83 GLY HAx H 1 3.882 0.03 A 83 GLY HAy H 1 3.94 0.03 A 83 GLY C C 13 174.685 0.45 A 83 GLY CA C 13 45.919 0.45 A 83 GLY N N 15 108.389 0.3 A 84 ILE H H 1 7.829 0.03 A 84 ILE HA H 1 4.145 0.03 A 84 ILE HB H 1 1.737 0.03 A 84 ILE HD1% H 1 0.768 0.03 A 84 ILE HG1y H 1 1.344 0.03 A 84 ILE HG1x H 1 1.019 0.03 A 84 ILE HG2% H 1 0.822 0.03 A 84 ILE C C 13 176.571 0.45 A 84 ILE CA C 13 61.036 0.45 A 84 ILE CB C 13 38.928 0.45 A 84 ILE CD1 C 13 13.023 0.45 A 84 ILE CG1 C 13 27.048 0.45 A 84 ILE CG2 C 13 17.309 0.45 A 84 ILE N N 15 119.017 0.3 A 85 GLY H H 1 8.516 0.03 A 85 GLY HAx H 1 3.892 0.03 A 85 GLY HAy H 1 3.993 0.03 A 85 GLY C C 13 174.183 0.45 A 85 GLY CA C 13 45.208 0.45 A 85 GLY N N 15 112.91 0.3 A 86 GLN H H 1 8.266 0.03 A 86 GLN HA H 1 4.292 0.03 A 86 GLN HBy H 1 2.102 0.03 A 86 GLN HBx H 1 1.954 0.03 A 86 GLN HE2y H 1 7.582 0.03 A 86 GLN HE2x H 1 6.85 0.03 A 86 GLN HGx H 1 2.315 0.03 A 86 GLN HGy H 1 2.315 0.03 A 86 GLN C C 13 175.926 0.45 A 86 GLN CA C 13 55.926 0.45 A 86 GLN CB C 13 29.493 0.45 A 86 GLN CD C 13 180.46 0.45 A 86 GLN CG C 13 33.629 0.45 A 86 GLN N N 15 119.656 0.3 A 86 GLN NE2 N 15 112.67 0.3 A 87 ASP H H 1 8.5 0.03 A 87 ASP HA H 1 4.569 0.03 A 87 ASP HBy H 1 2.696 0.03 A 87 ASP HBx H 1 2.611 0.03 A 87 ASP C C 13 176.54 0.45 A 87 ASP CA C 13 54.664 0.45 A 87 ASP CB C 13 41.087 0.45 A 87 ASP N N 15 121.153 0.3 A 88 GLU H H 1 8.327 0.03 A 88 GLU HA H 1 4.243 0.03 A 88 GLU HBy H 1 2.066 0.03 A 88 GLU HBx H 1 1.937 0.03 A 88 GLU HGx H 1 2.252 0.03 A 88 GLU HGy H 1 2.252 0.03 A 88 GLU C C 13 176.567 0.45 A 88 GLU CA C 13 56.867 0.45 A 88 GLU CB C 13 30.217 0.45 A 88 GLU CG C 13 36.249 0.45 A 88 GLU N N 15 121.546 0.3 A 89 ALA H H 1 8.294 0.03 A 89 ALA HA H 1 4.232 0.03 A 89 ALA HB% H 1 1.384 0.03 A 89 ALA C C 13 177.882 0.45 A 89 ALA CA C 13 52.988 0.45 A 89 ALA CB C 13 19.215 0.45 A 89 ALA N N 15 124.48 0.3 A 90 ASP H H 1 8.254 0.03 A 90 ASP HA H 1 4.534 0.03 A 90 ASP HBy H 1 2.673 0.03 A 90 ASP HBx H 1 2.631 0.03 A 90 ASP C C 13 176.177 0.45 A 90 ASP CA C 13 54.522 0.45 A 90 ASP CB C 13 41.128 0.45 A 90 ASP N N 15 119.162 0.3 A 91 ALA H H 1 8.004 0.03 A 91 ALA HA H 1 4.249 0.03 A 91 ALA HB% H 1 1.294 0.03 A 91 ALA C C 13 177.572 0.45 A 91 ALA CA C 13 52.709 0.45 A 91 ALA CB C 13 19.203 0.45 A 91 ALA N N 15 123.742 0.3 A 92 TYR H H 1 8.094 0.03 A 92 TYR HA H 1 4.497 0.03 A 92 TYR HBy H 1 3.045 0.03 A 92 TYR HBx H 1 2.976 0.03 A 92 TYR HDx H 1 7.127 0.03 A 92 TYR HDy H 1 7.127 0.03 A 92 TYR HEx H 1 6.816 0.03 A 92 TYR HEy H 1 6.816 0.03 A 92 TYR C C 13 175.552 0.45 A 92 TYR CA C 13 58.074 0.45 A 92 TYR CB C 13 38.706 0.45 A 92 TYR CDx C 13 133.284 0.45 A 92 TYR CEx C 13 118.212 0.45 A 92 TYR N N 15 119.268 0.3 A 93 ASP H H 1 8.176 0.03 A 93 ASP HA H 1 4.585 0.03 A 93 ASP HBy H 1 2.697 0.03 A 93 ASP HBx H 1 2.595 0.03 A 93 ASP C C 13 176.292 0.45 A 93 ASP CA C 13 53.832 0.45 A 93 ASP CB C 13 41.175 0.45 A 93 ASP N N 15 122.393 0.3 A 94 CYS H H 1 8.247 0.03 A 94 CYS HA H 1 4.387 0.03 A 94 CYS HBy H 1 2.988 0.03 A 94 CYS HBx H 1 2.937 0.03 A 94 CYS C C 13 174.811 0.45 A 94 CYS CA C 13 58.983 0.45 A 94 CYS CB C 13 27.902 0.45 A 94 CYS N N 15 120.029 0.3 A 95 ASP H H 1 8.395 0.03 A 95 ASP HA H 1 4.585 0.03 A 95 ASP HBy H 1 2.726 0.03 A 95 ASP HBx H 1 2.654 0.03 A 95 ASP C C 13 176.688 0.45 A 95 ASP CA C 13 54.991 0.45 A 95 ASP CB C 13 41.126 0.45 A 95 ASP N N 15 122.451 0.3 A 96 ALA H H 1 8.06 0.03 A 96 ALA HA H 1 4.142 0.03 A 96 ALA HB% H 1 1.402 0.03 A 96 ALA C C 13 178.244 0.45 A 96 ALA CA C 13 53.509 0.45 A 96 ALA CB C 13 18.958 0.45 A 96 ALA N N 15 124.253 0.3 A 97 ALA H H 1 8.102 0.03 A 97 ALA HA H 1 4.247 0.03 A 97 ALA HB% H 1 1.407 0.03 A 97 ALA C C 13 178.078 0.45 A 97 ALA CA C 13 52.861 0.45 A 97 ALA CB C 13 18.947 0.45 A 97 ALA N N 15 121.101 0.3 A 98 LYS H H 1 7.932 0.03 A 98 LYS HA H 1 4.285 0.03 A 98 LYS HBy H 1 1.881 0.03 A 98 LYS HBx H 1 1.79 0.03 A 98 LYS HDx H 1 1.675 0.03 A 98 LYS HDy H 1 1.675 0.03 A 98 LYS HEx H 1 2.986 0.03 A 98 LYS HEy H 1 2.986 0.03 A 98 LYS HGx H 1 1.402 0.03 A 98 LYS HGy H 1 1.459 0.03 A 98 LYS C C 13 176.635 0.45 A 98 LYS CA C 13 56.403 0.45 A 98 LYS CB C 13 32.853 0.45 A 98 LYS CD C 13 29.087 0.45 A 98 LYS CE C 13 42.202 0.45 A 98 LYS CG C 13 24.548 0.45 A 98 LYS N N 15 119.265 0.3 A 99 ARG H H 1 8.137 0.03 A 99 ARG HA H 1 4.365 0.03 A 99 ARG HBy H 1 1.899 0.03 A 99 ARG HBx H 1 1.787 0.03 A 99 ARG HDx H 1 3.174 0.03 A 99 ARG HDy H 1 3.174 0.03 A 99 ARG HGx H 1 1.647 0.03 A 99 ARG HGy H 1 1.647 0.03 A 99 ARG C C 13 175.84 0.45 A 99 ARG CA C 13 56.175 0.45 A 99 ARG CB C 13 31.023 0.45 A 99 ARG CD C 13 43.374 0.45 A 99 ARG CG C 13 26.715 0.45 A 99 ARG N N 15 122.052 0.3 A 100 GLY H H 1 7.967 0.03 A 100 GLY HAx H 1 3.758 0.03 A 100 GLY HAy H 1 3.758 0.03 A 100 GLY C C 13 178.978 0.45 A 100 GLY CA C 13 46.228 0.45 A 100 GLY N N 15 115.971 0.3 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type undefined save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type undefined save_ save_DYANA/DIANA_distance_constraints_9 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_9 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-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 33 ASP H A 35 PHE H 1.0 . 3.54 2 2 A 35 PHE H A 35 PHE HD% 1.0 . 3.64 3 3 A 62 LYS H A 63 ARG H 1.0 . 3.23 4 4 A 63 ARG H A 64 PHE HD% 1.0 . 4.49 5 5 A 90 ASP H A 91 ALA H 1.0 . 3.23 6 6 A 35 PHE H A 34 CYS H 1.0 . 2.98 7 7 A 35 PHE H A 36 LYS H 1.0 . 3.18 8 8 A 76 GLU H A 77 GLU H 1.0 . 3.35 9 9 A 28 TRP H A 28 TRP HD1 1.0 . 3.99 10 10 A 28 TRP H A 27 ALA HA 1.0 . 2.99 11 11 A 28 TRP H A 28 TRP HBx 1.0 . 3.34 12 12 A 79 ASN H A 79 ASN HBx 1.0 . 2.79 13 12 A 79 ASN H A 79 ASN HBy 1.0 . 2.79 14 13 A 63 ARG H A 62 LYS HEx 1.0 . 3.83 15 13 A 63 ARG H A 62 LYS HEy 1.0 . 3.83 16 14 A 28 TRP H A 28 TRP HBy 1.0 . 3.78 17 15 A 35 PHE H A 31 CYS HBy 1.0 . 2.98 18 16 A 35 PHE H A 35 PHE HBx 1.0 . 3.48 19 16 A 35 PHE H A 35 PHE HBy 1.0 . 3.48 20 17 A 76 GLU H A 76 GLU HBy 1.0 . 3.62 21 18 A 76 GLU H A 76 GLU HGy 1.0 . 3.63 22 19 A 79 ASN H A 77 GLU HBx 1.0 . 5.46 23 19 A 79 ASN H A 77 GLU HBy 1.0 . 5.46 24 20 A 79 ASN H A 80 GLU HBx 1.0 . 5.50 25 20 A 79 ASN H A 80 GLU HBy 1.0 . 5.50 26 21 A 79 ASN H A 81 GLU HBx 1.0 . 5.50 27 21 A 79 ASN H A 81 GLU HBy 1.0 . 5.50 28 22 A 63 ARG H A 63 ARG HBy 1.0 . 3.74 29 23 A 28 TRP H A 27 ALA HB% 1.0 . 3.02 30 24 A 79 ASN H A 78 ILE HB 1.0 . 3.01 31 25 A 63 ARG H A 63 ARG HBx 1.0 . 3.74 32 26 A 82 LEU H A 82 LEU HG 1.0 . 2.67 33 27 A 79 ASN H A 78 ILE HG2% 1.0 . 3.76 34 28 A 84 ILE H A 84 ILE HG1y 1.0 . 3.26 35 29 A 84 ILE H A 84 ILE HG1x 1.0 . 3.10 36 30 A 84 ILE H A 82 LEU HBx 1.0 . 3.45 37 31 A 84 ILE H A 84 ILE HB 1.0 . 3.74 38 32 A 90 ASP H A 90 ASP HBy 1.0 . 3.94 39 33 A 90 ASP H A 90 ASP HBx 1.0 . 3.94 40 34 A 76 GLU H A 75 ASN HBx 1.0 . 3.16 41 34 A 76 GLU H A 75 ASN HBy 1.0 . 3.16 42 35 A 92 TYR H A 92 TYR HBx 1.0 . 3.90 43 36 A 84 ILE H A 79 ASN HBx 1.0 . 4.35 44 36 A 79 ASN HBy A 84 ILE H 1.0 . 4.35 45 37 A 90 ASP H A 89 ALA HB% 1.0 . 3.64 46 38 A 52 SER H A 52 SER HBx 1.0 . 3.78 47 38 A 52 SER H A 52 SER HBy 1.0 . 3.78 48 39 A 52 SER H A 51 SER HBx 1.0 . 4.15 49 40 A 35 PHE H A 31 CYS HBx 1.0 . 4.32 50 41 A 76 GLU H A 75 ASN HA 1.0 . 3.57 51 42 A 54 TRP H A 53 ARG HBx 1.0 . 3.18 52 42 A 53 ARG HBy A 54 TRP H 1.0 . 3.18 53 43 A 54 TRP H A 32 ASP HBy 1.0 . 4.13 54 44 A 54 TRP H A 32 ASP HBx 1.0 . 2.94 55 45 A 54 TRP H A 54 TRP HBx 1.0 . 3.55 56 46 A 54 TRP H A 54 TRP HBy 1.0 . 3.55 57 47 A 54 TRP H A 53 ARG HA 1.0 . 2.88 58 48 A 54 TRP H A 32 ASP H 1.0 . 3.92 59 49 A 32 ASP H A 54 TRP HE3 1.0 . 4.10 60 50 A 32 ASP H A 55 ILE HA 1.0 . 3.35 61 51 A 32 ASP H A 31 CYS HA 1.0 . 2.93 62 52 A 54 TRP H A 54 TRP HE3 1.0 . 4.55 63 53 A 32 ASP H A 32 ASP HBy 1.0 . 3.06 64 54 A 32 ASP H A 32 ASP HBx 1.0 . 3.23 65 55 A 54 TRP H A 53 ARG HGx 1.0 . 4.02 66 55 A 54 TRP H A 53 ARG HGy 1.0 . 4.02 67 56 A 32 ASP H A 55 ILE HG2% 1.0 . 3.20 68 57 A 54 TRP H A 55 ILE HG2% 1.0 . 4.17 69 58 A 32 ASP H A 31 CYS HBy 1.0 . 4.04 70 59 A 32 ASP H A 31 CYS HBx 1.0 . 4.32 71 60 A 78 ILE HG2% A 28 TRP HE1 1.0 . 3.72 72 61 A 28 TRP HE1 A 82 LEU HDx% 1.0 . 3.96 73 62 A 28 TRP HE1 A 82 LEU HDy% 1.0 . 4.62 74 63 A 28 TRP HE1 A 81 GLU HBx 1.0 . 4.03 75 63 A 81 GLU HBy A 28 TRP HE1 1.0 . 4.03 76 64 A 37 TRP HE1 A 75 ASN HD2x 1.0 . 5.50 77 65 A 37 TRP HE1 A 86 GLN HGx 1.0 . 3.65 78 65 A 37 TRP HE1 A 86 GLN HGy 1.0 . 3.65 79 66 A 78 ILE HG2% A 37 TRP HE1 1.0 . 4.11 80 67 A 40 ILE HG2% A 54 TRP HE1 1.0 . 3.93 81 68 A 54 TRP HE1 A 40 ILE HD1% 1.0 . 3.99 82 69 A 54 TRP HE1 A 58 ASN HBx 1.0 . 4.53 83 70 A 54 TRP HE1 A 59 ASN HA 1.0 . 3.72 84 71 A 54 TRP HE1 A 54 TRP HBy 1.0 . 5.22 85 72 A 54 TRP HE1 A 59 ASN HBy 1.0 . 5.48 86 73 A 54 TRP HE1 A 29 VAL HGy% 1.0 . 5.05 87 74 A 54 TRP HE1 A 29 VAL HGx% 1.0 . 5.05 88 75 A 31 CYS H A 31 CYS HBy 1.0 . 3.17 89 76 A 31 CYS H A 31 CYS HBx 1.0 . 3.26 90 77 A 31 CYS H A 30 ARG HA 1.0 . 2.83 91 78 A 31 CYS H A 38 ARG H 1.0 . 5.48 92 79 A 32 ASP H A 31 CYS H 1.0 . 4.73 93 80 A 35 PHE H A 31 CYS H 1.0 . 4.48 94 81 A 31 CYS H A 30 ARG HE 1.0 . 3.80 95 82 A 31 CYS H A 54 TRP HZ3 1.0 . 4.09 96 83 A 31 CYS H A 37 TRP HA 1.0 . 4.38 97 84 A 31 CYS H A 30 ARG HGy 1.0 . 3.68 98 85 A 31 CYS H A 30 ARG HBx 1.0 . 4.31 99 86 A 31 CYS H A 30 ARG HBy 1.0 . 4.24 100 87 A 31 CYS H A 38 ARG HBx 1.0 . 4.95 101 87 A 31 CYS H A 38 ARG HBy 1.0 . 4.95 102 88 A 31 CYS H A 30 ARG HGx 1.0 . 3.82 103 89 A 72 GLU H A 72 GLU HBx 1.0 . 3.10 104 89 A 72 GLU H A 72 GLU HBy 1.0 . 3.10 105 90 A 72 GLU H A 71 GLN HBx 1.0 . 4.77 106 91 A 72 GLU H A 71 GLN HBy 1.0 . 4.77 107 92 A 72 GLU H A 71 GLN HGx 1.0 . 3.76 108 92 A 72 GLU H A 71 GLN HGy 1.0 . 3.76 109 93 A 72 GLU H A 71 GLN HA 1.0 . 3.28 110 94 A 72 GLU H A 73 MET H 1.0 . 3.43 111 95 A 42 ALA H A 42 ALA HB% 1.0 . 2.79 112 96 A 42 ALA H A 41 PRO HBx 1.0 . 3.74 113 97 A 42 ALA H A 41 PRO HBy 1.0 . 3.64 114 98 A 30 ARG H A 30 ARG HBx 1.0 . 3.35 115 99 A 30 ARG HGy A 30 ARG H 1.0 . 4.45 116 100 A 30 ARG H A 29 VAL HGy% 1.0 . 4.18 117 101 A 30 ARG H A 30 ARG HDx 1.0 . 4.74 118 101 A 30 ARG H A 30 ARG HDy 1.0 . 4.74 119 102 A 42 ALA H A 26 SER HBx 1.0 . 5.15 120 102 A 42 ALA H A 26 SER HBy 1.0 . 5.15 121 103 A 42 ALA H A 41 PRO HA 1.0 . 2.75 122 104 A 42 ALA H A 26 SER HA 1.0 . 3.46 123 105 A 30 ARG H A 29 VAL HA 1.0 . 3.02 124 106 A 42 ALA H A 27 ALA H 1.0 . 4.48 125 107 A 30 ARG H A 37 TRP HE3 1.0 . 4.38 126 108 A 30 ARG H A 37 TRP HZ3 1.0 . 3.47 127 109 A 31 CYS H A 30 ARG H 1.0 . 4.62 128 110 A 38 ARG HA A 39 ARG H 1.0 . 3.43 129 111 A 39 ARG H A 38 ARG HBx 1.0 . 3.97 130 111 A 38 ARG HBy A 39 ARG H 1.0 . 3.97 131 112 A 39 ARG H A 38 ARG HGx 1.0 . 4.06 132 112 A 39 ARG H A 38 ARG HGy 1.0 . 4.06 133 113 A 39 ARG H A 39 ARG HBy 1.0 . 3.61 134 114 A 48 ILE HG2% A 49 ASP H 1.0 . 4.15 135 115 A 39 ARG H A 39 ARG HBx 1.0 . 3.61 136 116 A 39 ARG H A 28 TRP HZ3 1.0 . 3.67 137 117 A 39 ARG H A 28 TRP HE3 1.0 . 4.20 138 118 A 49 ASP H A 50 GLU H 1.0 . 4.37 139 119 A 27 ALA H A 26 SER HBx 1.0 . 3.14 140 119 A 26 SER HBy A 27 ALA H 1.0 . 3.14 141 120 A 27 ALA H A 39 ARG HA 1.0 . 4.98 142 121 A 41 PRO HA A 27 ALA H 1.0 . 3.90 143 122 A 26 SER HA A 27 ALA H 1.0 . 2.81 144 123 A 4 ARG HA A 5 ALA H 1.0 . 3.40 145 124 A 49 ASP H A 48 ILE HA 1.0 . 3.52 146 125 A 49 ASP H A 47 SER HBx 1.0 . 4.85 147 125 A 49 ASP H A 47 SER HBy 1.0 . 4.85 148 126 A 49 ASP H A 49 ASP HBx 1.0 . 3.10 149 126 A 49 ASP H A 49 ASP HBy 1.0 . 3.10 150 127 A 27 ALA H A 40 ILE HG1x 1.0 . 3.61 151 128 A 27 ALA HB% A 27 ALA H 1.0 . 3.04 152 129 A 49 ASP H A 48 ILE HD1% 1.0 . 3.22 153 130 A 5 ALA H A 5 ALA HB% 1.0 . 3.57 154 131 A 49 ASP H A 48 ILE HB 1.0 . 4.14 155 132 A 40 ILE HD1% A 27 ALA H 1.0 . 4.67 156 133 A 27 ALA H A 40 ILE HG1y 1.0 . 3.42 157 134 A 49 ASP H A 54 TRP HD1 1.0 . 5.50 158 135 A 27 ALA H A 45 VAL HGx% 1.0 . 4.55 159 136 A 27 ALA H A 45 VAL HGy% 1.0 . 4.82 160 137 A 67 CYS H A 67 CYS HBx 1.0 . 3.67 161 138 A 67 CYS H A 66 ASP HBy 1.0 . 3.15 162 139 A 67 CYS H A 57 MET HA 1.0 . 4.96 163 140 A 67 CYS H A 68 SER HA 1.0 . 5.50 164 141 A 18 ILE HA A 19 GLU H 1.0 . 2.72 165 142 A 67 CYS H A 57 MET H 1.0 . 4.01 166 143 A 67 CYS H A 57 MET HBx 1.0 . 3.87 167 143 A 67 CYS H A 57 MET HBy 1.0 . 3.87 168 144 A 19 GLU H A 18 ILE HB 1.0 . 3.53 169 145 A 19 GLU H A 18 ILE H 1.0 . 4.63 170 146 A 67 CYS H A 66 ASP HA 1.0 . 2.90 171 147 A 19 GLU H A 20 ASP HBx 1.0 . 4.47 172 147 A 19 GLU H A 20 ASP HBy 1.0 . 4.47 173 148 A 89 ALA H A 88 GLU HGx 1.0 . 3.81 174 148 A 88 GLU HGy A 89 ALA H 1.0 . 3.81 175 149 A 89 ALA H A 88 GLU HBy 1.0 . 4.00 176 150 A 89 ALA H A 88 GLU HBx 1.0 . 4.00 177 151 A 89 ALA HB% A 89 ALA H 1.0 . 2.94 178 152 A 19 GLU H A 18 ILE HG1x 1.0 . 5.27 179 153 A 19 GLU H A 18 ILE HG1y 1.0 . 5.27 180 154 A 19 GLU H A 18 ILE HG2% 1.0 . 3.56 181 155 A 96 ALA H A 96 ALA HB% 1.0 . 3.10 182 156 A 39 ARG HA A 40 ILE H 1.0 . 2.88 183 157 A 14 VAL HA A 15 ASP H 1.0 . 2.73 184 158 A 89 ALA H A 87 ASP HA 1.0 . 4.21 185 159 A 27 ALA H A 40 ILE H 1.0 . 3.52 186 160 A 15 ASP H A 14 VAL H 1.0 . 4.39 187 161 A 15 ASP H A 16 VAL H 1.0 . 4.60 188 162 A 62 LYS H A 61 ASP HA 1.0 . 2.87 189 163 A 40 ILE H A 28 TRP HA 1.0 . 3.71 190 164 A 96 ALA H A 94 CYS HA 1.0 . 4.37 191 165 A 40 ILE H A 26 SER HBx 1.0 . 3.89 192 165 A 26 SER HBy A 40 ILE H 1.0 . 3.89 193 166 A 40 ILE H A 39 ARG HDx 1.0 . 4.80 194 166 A 40 ILE H A 39 ARG HDy 1.0 . 4.80 195 167 A 15 ASP H A 15 ASP HBy 1.0 . 3.95 196 168 A 62 LYS H A 62 LYS HGx 1.0 . 3.18 197 168 A 62 LYS H A 62 LYS HGy 1.0 . 3.18 198 169 A 62 LYS H A 62 LYS HDx 1.0 . 4.01 199 169 A 62 LYS H A 62 LYS HDy 1.0 . 4.01 200 170 A 62 LYS H A 62 LYS HBx 1.0 . 3.93 201 171 A 15 ASP H A 14 VAL HB 1.0 . 4.39 202 172 A 40 ILE H A 38 ARG HBx 1.0 . 5.32 203 172 A 38 ARG HBy A 40 ILE H 1.0 . 5.32 204 173 A 40 ILE H A 40 ILE HB 1.0 . 4.01 205 174 A 27 ALA HB% A 40 ILE H 1.0 . 4.28 206 175 A 40 ILE HG1y A 40 ILE H 1.0 . 3.35 207 176 A 45 VAL HGy% A 40 ILE H 1.0 . 4.75 208 177 A 40 ILE HG2% A 40 ILE H 1.0 . 3.05 209 178 A 15 ASP H A 14 VAL HGx% 1.0 . 4.97 210 179 A 15 ASP H A 14 VAL HGy% 1.0 . 4.97 211 180 A 62 LYS H A 61 ASP H 1.0 . 4.56 212 181 A 14 VAL H A 13 VAL HA 1.0 . 2.61 213 182 A 62 LYS H A 61 ASP HBx 1.0 . 3.89 214 183 A 62 LYS H A 62 LYS HEx 1.0 . 3.92 215 183 A 62 LYS H A 62 LYS HEy 1.0 . 3.92 216 184 A 62 LYS H A 61 ASP HBy 1.0 . 3.56 217 185 A 91 ALA H A 90 ASP HBy 1.0 . 4.68 218 186 A 91 ALA H A 90 ASP HBx 1.0 . 4.68 219 187 A 91 ALA H A 91 ALA HB% 1.0 . 2.93 220 188 A 14 VAL H A 14 VAL HGx% 1.0 . 3.72 221 189 A 14 VAL H A 14 VAL HGy% 1.0 . 3.72 222 190 A 62 LYS H A 65 ALA HB% 1.0 . 4.01 223 191 A 71 GLN H A 71 GLN HBx 1.0 . 3.25 224 192 A 71 GLN H A 71 GLN HGx 1.0 . 4.04 225 192 A 71 GLN HGy A 71 GLN H 1.0 . 4.04 226 193 A 71 GLN H A 36 LYS HEx 1.0 . 5.07 227 193 A 71 GLN H A 36 LYS HEy 1.0 . 5.07 228 194 A 71 GLN H A 70 SER HBx 1.0 . 3.78 229 195 A 71 GLN H A 70 SER HBy 1.0 . 3.78 230 196 A 71 GLN H A 70 SER HA 1.0 . 2.91 231 197 A 47 SER HA A 48 ILE H 1.0 . 3.54 232 198 A 48 ILE H A 47 SER HBx 1.0 . 3.13 233 198 A 47 SER HBy A 48 ILE H 1.0 . 3.13 234 199 A 48 ILE H A 45 VAL HA 1.0 . 3.86 235 200 A 48 ILE HD1% A 48 ILE H 1.0 . 3.92 236 201 A 48 ILE HG2% A 48 ILE H 1.0 . 3.46 237 202 A 48 ILE H A 48 ILE HG1x 1.0 . 3.38 238 203 A 48 ILE H A 48 ILE HG1y 1.0 . 3.38 239 204 A 49 ASP H A 48 ILE H 1.0 . 3.66 240 205 A 65 ALA HB% A 65 ALA H 1.0 . 2.84 241 206 A 18 ILE H A 17 THR HA 1.0 . 2.90 242 207 A 65 ALA H A 64 PHE H 1.0 . 3.02 243 208 A 63 ARG H A 65 ALA H 1.0 . 4.17 244 209 A 18 ILE H A 17 THR H 1.0 . 4.90 245 210 A 24 THR HA A 25 GLU H 1.0 . 3.60 246 211 A 52 SER HA A 53 ARG H 1.0 . 3.44 247 212 A 18 ILE H A 17 THR HB 1.0 . 3.59 248 213 A 65 ALA H A 62 LYS HA 1.0 . 3.96 249 214 A 18 ILE HB A 18 ILE H 1.0 . 3.17 250 215 A 69 LYS H A 69 LYS HGx 1.0 . 2.89 251 215 A 69 LYS H A 69 LYS HGy 1.0 . 2.89 252 216 A 65 ALA H A 69 LYS HGx 1.0 . 3.54 253 216 A 65 ALA H A 69 LYS HGy 1.0 . 3.54 254 217 A 18 ILE H A 18 ILE HG1y 1.0 . 4.08 255 218 A 69 LYS H A 69 LYS HBy 1.0 . 3.64 256 219 A 18 ILE H A 17 THR HG2% 1.0 . 4.49 257 220 A 25 GLU H A 24 THR H 1.0 . 3.72 258 221 A 69 LYS H A 66 ASP H 1.0 . 4.37 259 222 A 53 ARG H A 52 SER HBx 1.0 . 4.05 260 222 A 52 SER HBy A 53 ARG H 1.0 . 4.05 261 223 A 69 LYS H A 68 SER HBy 1.0 . 4.38 262 224 A 69 LYS H A 68 SER HBx 1.0 . 4.38 263 225 A 65 ALA H A 64 PHE HBy 1.0 . 4.34 264 226 A 53 ARG H A 54 TRP HBy 1.0 . 5.50 265 227 A 69 LYS H A 69 LYS HBx 1.0 . 3.64 266 228 A 69 LYS H A 66 ASP HBx 1.0 . 3.84 267 229 A 69 LYS H A 66 ASP HBy 1.0 . 4.21 268 230 A 69 LYS H A 69 LYS HEx 1.0 . 4.51 269 230 A 69 LYS H A 69 LYS HEy 1.0 . 4.51 270 231 A 65 ALA H A 59 ASN HBx 1.0 . 4.35 271 232 A 53 ARG H A 53 ARG HGx 1.0 . 3.45 272 232 A 53 ARG HGy A 53 ARG H 1.0 . 3.45 273 233 A 53 ARG H A 53 ARG HBx 1.0 . 3.48 274 233 A 53 ARG HBy A 53 ARG H 1.0 . 3.48 275 234 A 25 GLU H A 25 GLU HBx 1.0 . 3.62 276 235 A 25 GLU H A 25 GLU HGy 1.0 . 4.51 277 236 A 65 ALA H A 66 ASP HBx 1.0 . 4.05 278 237 A 65 ALA H A 64 PHE HBx 1.0 . 4.34 279 238 A 25 GLU H A 24 THR HG2% 1.0 . 4.16 280 239 A 42 ALA HB% A 25 GLU H 1.0 . 4.80 281 240 A 18 ILE H A 18 ILE HG2% 1.0 . 3.95 282 241 A 54 TRP H A 53 ARG H 1.0 . 4.47 283 242 A 50 GLU H A 53 ARG H 1.0 . 5.50 284 243 A 52 SER H A 53 ARG H 1.0 . 4.37 285 244 A 77 GLU H A 78 ILE H 1.0 . 3.15 286 245 A 3 ARG HA A 4 ARG H 1.0 . 3.32 287 246 A 65 ALA H A 64 PHE HA 1.0 . 3.24 288 247 A 12 MET HA A 13 VAL H 1.0 . 2.98 289 248 A 92 TYR HA A 93 ASP H 1.0 . 3.23 290 249 A 78 ILE H A 77 GLU HBx 1.0 . 3.04 291 249 A 77 GLU HBy A 78 ILE H 1.0 . 3.04 292 250 A 78 ILE H A 78 ILE HG1y 1.0 . 3.74 293 251 A 78 ILE HB A 78 ILE H 1.0 . 3.00 294 252 A 78 ILE H A 78 ILE HG1x 1.0 . 3.74 295 253 A 78 ILE HG2% A 78 ILE H 1.0 . 3.95 296 254 A 9 SER HA A 10 GLU H 1.0 . 3.44 297 255 A 75 ASN HA A 78 ILE H 1.0 . 3.75 298 256 A 95 ASP H A 94 CYS HBy 1.0 . 4.74 299 257 A 95 ASP H A 94 CYS HBx 1.0 . 4.74 300 258 A 10 GLU H A 10 GLU HGx 1.0 . 4.86 301 259 A 13 VAL H A 13 VAL HB 1.0 . 4.02 302 260 A 95 ASP H A 95 ASP HBy 1.0 . 4.04 303 261 A 93 ASP H A 93 ASP HBx 1.0 . 4.04 304 262 A 93 ASP H A 93 ASP HBy 1.0 . 4.04 305 263 A 78 ILE H A 79 ASN HBx 1.0 . 4.43 306 263 A 79 ASN HBy A 78 ILE H 1.0 . 4.43 307 264 A 78 ILE H A 73 MET HBy 1.0 . 3.90 308 265 A 78 ILE H A 73 MET HBx 1.0 . 4.59 309 266 A 38 ARG H A 37 TRP HA 1.0 . 2.91 310 267 A 13 VAL H A 13 VAL HGx% 1.0 . 3.05 311 267 A 13 VAL H A 13 VAL HGy% 1.0 . 3.05 312 268 A 38 ARG H A 78 ILE HD1% 1.0 . 5.50 313 269 A 38 ARG H A 38 ARG HBx 1.0 . 3.26 314 269 A 38 ARG H A 38 ARG HBy 1.0 . 3.26 315 270 A 38 ARG H A 38 ARG HGx 1.0 . 4.36 316 270 A 38 ARG H A 38 ARG HGy 1.0 . 4.36 317 271 A 38 ARG H A 37 TRP HBx 1.0 . 4.50 318 272 A 99 ARG H A 99 ARG HGx 1.0 . 3.32 319 272 A 99 ARG H A 99 ARG HGy 1.0 . 3.32 320 273 A 13 VAL H A 12 MET HGx 1.0 . 3.38 321 273 A 13 VAL H A 12 MET HGy 1.0 . 3.38 322 274 A 38 ARG H A 37 TRP HBy 1.0 . 3.70 323 275 A 38 ARG H A 28 TRP HE3 1.0 . 3.71 324 276 A 38 ARG H A 37 TRP HE3 1.0 . 4.01 325 277 A 38 ARG H A 37 TRP H 1.0 . 4.73 326 278 A 50 GLU H A 51 SER H 1.0 . 3.49 327 279 A 38 ARG H A 28 TRP HA 1.0 . 4.22 328 280 A 60 SER H A 60 SER HBy 1.0 . 3.74 329 281 A 60 SER H A 60 SER HBx 1.0 . 3.74 330 282 A 50 GLU H A 50 GLU HGx 1.0 . 3.50 331 282 A 50 GLU H A 50 GLU HGy 1.0 . 3.50 332 283 A 50 GLU H A 49 ASP HBx 1.0 . 3.92 333 283 A 50 GLU H A 49 ASP HBy 1.0 . 3.92 334 284 A 45 VAL H A 45 VAL HB 1.0 . 2.93 335 285 A 45 VAL HGx% A 45 VAL H 1.0 . 2.91 336 286 A 34 CYS H A 35 PHE HA 1.0 . 4.21 337 287 A 45 VAL H A 44 VAL HA 1.0 . 3.53 338 288 A 45 VAL H A 42 ALA HA 1.0 . 3.55 339 289 A 56 CYS HA A 59 ASN H 1.0 . 3.91 340 290 A 59 ASN HBy A 59 ASN H 1.0 . 2.96 341 291 A 59 ASN HBx A 59 ASN H 1.0 . 2.76 342 292 A 59 ASN H A 58 ASN HBy 1.0 . 4.24 343 293 A 34 CYS H A 31 CYS HBx 1.0 . 4.19 344 294 A 34 CYS H A 31 CYS HBy 1.0 . 3.26 345 295 A 34 CYS H A 34 CYS HBy 1.0 . 3.92 346 296 A 34 CYS H A 34 CYS HBx 1.0 . 3.92 347 297 A 34 CYS H A 33 ASP HBx 1.0 . 3.97 348 298 A 59 ASN HBx A 60 SER H 1.0 . 4.01 349 299 A 59 ASN HBy A 60 SER H 1.0 . 4.20 350 300 A 12 MET H A 12 MET HBx 1.0 . 3.31 351 300 A 12 MET H A 12 MET HBy 1.0 . 3.31 352 301 A 65 ALA HB% A 59 ASN H 1.0 . 3.04 353 302 A 27 ALA HB% A 45 VAL H 1.0 . 5.16 354 303 A 42 ALA HB% A 45 VAL H 1.0 . 5.47 355 304 A 40 ILE HG2% A 60 SER H 1.0 . 4.08 356 305 A 40 ILE HG1x A 45 VAL H 1.0 . 3.31 357 306 A 40 ILE HD1% A 45 VAL H 1.0 . 3.77 358 307 A 60 SER H A 54 TRP HZ2 1.0 . 4.38 359 308 A 59 ASN H A 54 TRP HZ2 1.0 . 3.88 360 309 A 57 MET H A 59 ASN H 1.0 . 4.39 361 310 A 12 MET H A 11 PHE HD% 1.0 . 4.09 362 311 A 60 SER H A 59 ASN H 1.0 . 4.69 363 312 A 34 CYS H A 36 LYS H 1.0 . 4.45 364 313 A 33 ASP H A 34 CYS H 1.0 . 2.49 365 314 A 86 GLN HA A 87 ASP H 1.0 . 2.96 366 315 A 19 GLU HA A 20 ASP H 1.0 . 2.81 367 316 A 87 ASP HA A 88 GLU H 1.0 . 3.24 368 317 A 22 TYR H A 21 SER HBx 1.0 . 3.83 369 317 A 21 SER HBy A 22 TYR H 1.0 . 3.83 370 318 A 22 TYR H A 22 TYR HBx 1.0 . 4.02 371 319 A 36 LYS H A 31 CYS HBy 1.0 . 3.23 372 320 A 36 LYS H A 35 PHE HBx 1.0 . 4.47 373 320 A 36 LYS H A 35 PHE HBy 1.0 . 4.47 374 321 A 20 ASP H A 20 ASP HBx 1.0 . 3.13 375 321 A 20 ASP HBy A 20 ASP H 1.0 . 3.13 376 322 A 12 MET H A 12 MET HGx 1.0 . 3.34 377 322 A 12 MET HGy A 12 MET H 1.0 . 3.34 378 323 A 45 VAL H A 44 VAL HB 1.0 . 3.94 379 324 A 88 GLU H A 88 GLU HBx 1.0 . 3.82 380 325 A 88 GLU H A 88 GLU HBy 1.0 . 3.82 381 326 A 20 ASP H A 19 GLU HGx 1.0 . 4.66 382 326 A 20 ASP H A 19 GLU HGy 1.0 . 4.66 383 327 A 88 GLU H A 88 GLU HGx 1.0 . 3.98 384 327 A 88 GLU HGy A 88 GLU H 1.0 . 3.98 385 328 A 36 LYS H A 36 LYS HGx 1.0 . 4.30 386 328 A 36 LYS H A 36 LYS HGy 1.0 . 4.30 387 329 A 34 CYS H A 55 ILE HG2% 1.0 . 4.39 388 330 A 22 TYR H A 22 TYR HD% 1.0 . 3.88 389 331 A 87 ASP H A 88 GLU H 1.0 . 4.04 390 332 A 7 VAL H A 6 SER HBx 1.0 . 3.80 391 332 A 6 SER HBy A 7 VAL H 1.0 . 3.80 392 333 A 61 ASP H A 60 SER HA 1.0 . 3.55 393 334 A 81 GLU H A 81 GLU HA 1.0 . 2.90 394 335 A 31 CYS HA A 56 CYS H 1.0 . 4.11 395 336 A 61 ASP H A 61 ASP HBy 1.0 . 3.14 396 337 A 61 ASP H A 59 ASN HBx 1.0 . 3.40 397 338 A 61 ASP H A 61 ASP HBx 1.0 . 3.03 398 339 A 7 VAL H A 7 VAL HB 1.0 . 3.93 399 340 A 81 GLU H A 81 GLU HBx 1.0 . 2.44 400 340 A 81 GLU HBy A 81 GLU H 1.0 . 2.44 401 341 A 56 CYS H A 55 ILE HB 1.0 . 2.98 402 342 A 55 ILE HG2% A 56 CYS H 1.0 . 3.32 403 343 A 56 CYS H A 55 ILE HG1x 1.0 . 4.25 404 343 A 56 CYS H A 55 ILE HG1y 1.0 . 4.25 405 344 A 7 VAL H A 7 VAL HGx% 1.0 . 3.37 406 344 A 7 VAL H A 7 VAL HGy% 1.0 . 3.37 407 345 A 82 LEU HDx% A 81 GLU H 1.0 . 4.63 408 346 A 55 ILE HA A 56 CYS H 1.0 . 2.94 409 347 A 57 MET H A 56 CYS H 1.0 . 3.54 410 348 A 61 ASP H A 60 SER H 1.0 . 3.07 411 349 A 61 ASP H A 59 ASN HD2x 1.0 . 3.59 412 350 A 20 ASP H A 21 SER H 1.0 . 4.48 413 351 A 28 TRP HE3 A 29 VAL H 1.0 . 3.61 414 352 A 37 TRP HE3 A 29 VAL H 1.0 . 4.11 415 353 A 81 GLU H A 80 GLU H 1.0 . 3.19 416 354 A 82 LEU H A 81 GLU H 1.0 . 3.01 417 355 A 54 TRP HZ3 A 56 CYS H 1.0 . 4.28 418 356 A 54 TRP HE3 A 56 CYS H 1.0 . 4.90 419 357 A 28 TRP HA A 29 VAL H 1.0 . 2.76 420 358 A 39 ARG HA A 29 VAL H 1.0 . 4.01 421 359 A 56 CYS H A 31 CYS HBy 1.0 . 4.92 422 360 A 29 VAL H A 28 TRP HBy 1.0 . 3.55 423 361 A 33 ASP H A 33 ASP HBy 1.0 . 3.53 424 362 A 29 VAL H A 28 TRP HBx 1.0 . 4.40 425 363 A 56 CYS H A 57 MET HGx 1.0 . 4.01 426 363 A 56 CYS H A 57 MET HGy 1.0 . 4.01 427 364 A 56 CYS H A 56 CYS HBx 1.0 . 3.11 428 365 A 81 GLU H A 80 GLU HGy 1.0 . 4.27 429 366 A 81 GLU H A 81 GLU HGx 1.0 . 4.66 430 366 A 81 GLU H A 81 GLU HGy 1.0 . 4.66 431 367 A 56 CYS H A 57 MET HE% 1.0 . 4.33 432 368 A 29 VAL H A 29 VAL HB 1.0 . 3.94 433 369 A 97 ALA H A 97 ALA HB% 1.0 . 3.05 434 370 A 40 ILE HG2% A 29 VAL H 1.0 . 4.05 435 371 A 33 ASP H A 55 ILE HG2% 1.0 . 3.50 436 372 A 29 VAL H A 29 VAL HGx% 1.0 . 3.91 437 373 A 18 ILE HG2% A 20 ASP H 1.0 . 5.16 438 374 A 40 ILE HG2% A 61 ASP H 1.0 . 5.44 439 375 A 36 LYS H A 31 CYS HBx 1.0 . 3.27 440 376 A 95 ASP H A 97 ALA H 1.0 . 4.61 441 377 A 38 ARG H A 29 VAL H 1.0 . 3.58 442 378 A 32 ASP H A 56 CYS H 1.0 . 4.91 443 379 A 40 ILE H A 29 VAL H 1.0 . 4.44 444 380 A 28 TRP H A 29 VAL H 1.0 . 4.64 445 381 A 30 ARG H A 29 VAL H 1.0 . 5.04 446 382 A 37 TRP H A 37 TRP HD1 1.0 . 3.86 447 383 A 33 ASP H A 55 ILE HA 1.0 . 4.98 448 384 A 37 TRP H A 36 LYS HA 1.0 . 2.73 449 385 A 37 TRP HA A 29 VAL H 1.0 . 4.55 450 386 A 33 ASP H A 32 ASP HA 1.0 . 3.40 451 387 A 33 ASP H A 31 CYS HBy 1.0 . 3.54 452 388 A 33 ASP H A 31 CYS HBx 1.0 . 4.62 453 389 A 87 ASP H A 86 GLN HGx 1.0 . 3.76 454 389 A 86 GLN HGy A 87 ASP H 1.0 . 3.76 455 390 A 37 TRP H A 37 TRP HBx 1.0 . 3.10 456 391 A 37 TRP H A 36 LYS HGx 1.0 . 3.72 457 391 A 37 TRP H A 36 LYS HGy 1.0 . 3.72 458 392 A 37 TRP H A 36 LYS HBx 1.0 . 3.67 459 392 A 37 TRP H A 36 LYS HBy 1.0 . 3.67 460 393 A 77 GLU H A 77 GLU HBx 1.0 . 2.76 461 393 A 77 GLU H A 77 GLU HBy 1.0 . 2.76 462 394 A 37 TRP H A 36 LYS HEx 1.0 . 4.38 463 394 A 36 LYS HEy A 37 TRP H 1.0 . 4.38 464 395 A 37 TRP H A 71 GLN HGx 1.0 . 4.69 465 395 A 71 GLN HGy A 37 TRP H 1.0 . 4.69 466 396 A 37 TRP H A 37 TRP HBy 1.0 . 3.65 467 397 A 37 TRP H A 71 GLN HE2x 1.0 . 5.50 468 398 A 77 GLU H A 76 GLU HGy 1.0 . 4.04 469 399 A 93 ASP HA A 94 CYS H 1.0 . 3.33 470 400 A 16 VAL H A 16 VAL HB 1.0 . 3.48 471 401 A 16 VAL H A 16 VAL HGx% 1.0 . 2.89 472 401 A 16 VAL H A 16 VAL HGy% 1.0 . 2.89 473 402 A 43 SER H A 44 VAL H 1.0 . 3.19 474 403 A 44 VAL H A 47 SER H 1.0 . 5.50 475 404 A 74 SER HA A 75 ASN H 1.0 . 3.47 476 405 A 75 ASN H A 75 ASN HBx 1.0 . 3.51 477 405 A 75 ASN HBy A 75 ASN H 1.0 . 3.51 478 406 A 86 GLN H A 86 GLN HGx 1.0 . 3.27 479 406 A 86 GLN HGy A 86 GLN H 1.0 . 3.27 480 407 A 44 VAL H A 41 PRO HGx 1.0 . 2.56 481 408 A 40 ILE HB A 44 VAL H 1.0 . 5.50 482 409 A 76 GLU H A 75 ASN H 1.0 . 3.83 483 410 A 75 ASN H A 74 SER HBx 1.0 . 4.03 484 411 A 41 PRO HBy A 44 VAL H 1.0 . 3.58 485 412 A 86 GLN H A 86 GLN HBy 1.0 . 3.68 486 413 A 42 ALA HB% A 44 VAL H 1.0 . 4.79 487 414 A 45 VAL HGx% A 44 VAL H 1.0 . 4.21 488 415 A 40 ILE HG1x A 44 VAL H 1.0 . 4.57 489 416 A 40 ILE HD1% A 44 VAL H 1.0 . 4.80 490 417 A 86 GLN H A 84 ILE HG1y 1.0 . 5.41 491 418 A 45 VAL HA A 44 VAL H 1.0 . 5.06 492 419 A 75 ASN H A 74 SER HBy 1.0 . 4.03 493 420 A 97 ALA H A 98 LYS H 1.0 . 3.14 494 421 A 10 GLU H A 11 PHE H 1.0 . 4.44 495 422 A 55 ILE H A 58 ASN H 1.0 . 3.71 496 423 A 79 ASN H A 80 GLU H 1.0 . 3.10 497 424 A 45 VAL H A 44 VAL H 1.0 . 2.84 498 425 A 11 PHE HD% A 11 PHE H 1.0 . 4.43 499 426 A 55 ILE H A 54 TRP HA 1.0 . 2.68 500 427 A 55 ILE H A 54 TRP HBy 1.0 . 4.19 501 428 A 80 GLU H A 80 GLU HA 1.0 . 2.90 502 429 A 98 LYS H A 98 LYS HBx 1.0 . 3.98 503 430 A 97 ALA HB% A 98 LYS H 1.0 . 3.30 504 431 A 80 GLU H A 80 GLU HBx 1.0 . 2.89 505 431 A 80 GLU HBy A 80 GLU H 1.0 . 2.89 506 432 A 80 GLU H A 77 GLU HGx 1.0 . 5.50 507 432 A 80 GLU H A 77 GLU HGy 1.0 . 5.50 508 433 A 80 GLU H A 79 ASN HBx 1.0 . 3.29 509 433 A 79 ASN HBy A 80 GLU H 1.0 . 3.29 510 434 A 55 ILE H A 54 TRP HBx 1.0 . 4.22 511 435 A 58 ASN HBx A 55 ILE H 1.0 . 3.54 512 436 A 55 ILE H A 55 ILE HG1x 1.0 . 2.65 513 436 A 55 ILE HG1y A 55 ILE H 1.0 . 2.65 514 437 A 98 LYS H A 95 ASP HA 1.0 . 5.12 515 438 A 55 ILE H A 58 ASN HD2x 1.0 . 5.50 516 439 A 54 TRP HE3 A 55 ILE H 1.0 . 4.09 517 440 A 90 ASP H A 89 ALA HA 1.0 . 2.98 518 441 A 92 TYR H A 91 ALA HB% 1.0 . 3.48 519 442 A 55 ILE HB A 55 ILE H 1.0 . 3.82 520 443 A 90 ASP H A 92 TYR H 1.0 . 4.62 521 444 A 84 ILE H A 79 ASN HA 1.0 . 3.16 522 445 A 92 TYR H A 92 TYR HD% 1.0 . 3.38 523 446 A 35 PHE H A 35 PHE HA 1.0 . 2.78 524 447 A 92 TYR H A 92 TYR HBy 1.0 . 3.90 525 448 A 35 PHE H A 30 ARG HGy 1.0 . 4.38 526 449 A 28 TRP H A 82 LEU HDy% 1.0 . 4.51 527 450 A 28 TRP H A 45 VAL HGy% 1.0 . 4.86 528 451 A 76 GLU H A 78 ILE H 1.0 . 4.55 529 452 A 28 TRP H A 28 TRP HE3 1.0 . 5.28 530 453 A 28 TRP H A 27 ALA H 1.0 . 4.59 531 454 A 63 ARG H A 63 ARG HDx 1.0 . 3.79 532 454 A 63 ARG H A 63 ARG HDy 1.0 . 3.79 533 455 A 52 SER H A 51 SER H 1.0 . 3.29 534 456 A 25 GLU HA A 26 SER H 1.0 . 3.88 535 457 A 82 LEU H A 83 GLY H 1.0 . 2.89 536 458 A 17 THR H A 16 VAL HA 1.0 . 3.04 537 459 A 82 LEU H A 82 LEU HBx 1.0 . 3.00 538 460 A 82 LEU H A 81 GLU HBx 1.0 . 3.06 539 460 A 81 GLU HBy A 82 LEU H 1.0 . 3.06 540 461 A 82 LEU H A 81 GLU HGx 1.0 . 3.36 541 461 A 82 LEU H A 81 GLU HGy 1.0 . 3.36 542 462 A 17 THR H A 17 THR HG2% 1.0 . 3.47 543 463 A 17 THR H A 16 VAL HGx% 1.0 . 3.72 544 463 A 17 THR H A 16 VAL HGy% 1.0 . 3.72 545 464 A 82 LEU H A 82 LEU HDx% 1.0 . 3.45 546 465 A 82 LEU H A 82 LEU HDy% 1.0 . 4.06 547 466 A 16 VAL H A 17 THR H 1.0 . 3.36 548 467 A 17 THR H A 15 ASP HA 1.0 . 4.54 549 468 A 17 THR H A 16 VAL HB 1.0 . 4.71 550 469 A 58 ASN HBx A 58 ASN H 1.0 . 3.02 551 470 A 58 ASN HBy A 58 ASN H 1.0 . 3.55 552 471 A 58 ASN H A 55 ILE HG1x 1.0 . 3.12 553 471 A 55 ILE HG1y A 58 ASN H 1.0 . 3.12 554 472 A 74 SER H A 77 GLU HGx 1.0 . 3.96 555 472 A 77 GLU HGy A 74 SER H 1.0 . 3.96 556 473 A 74 SER H A 77 GLU HBx 1.0 . 3.24 557 473 A 77 GLU HBy A 74 SER H 1.0 . 3.24 558 474 A 74 SER H A 73 MET HBy 1.0 . 3.59 559 475 A 74 SER H A 73 MET HBx 1.0 . 4.45 560 476 A 74 SER H A 73 MET HA 1.0 . 2.75 561 477 A 74 SER H A 74 SER HBx 1.0 . 3.78 562 478 A 99 ARG H A 100 GLY H 1.0 . 3.36 563 479 A 100 GLY H A 99 ARG HBx 1.0 . 3.74 564 480 A 21 SER H A 20 ASP HBx 1.0 . 3.98 565 480 A 20 ASP HBy A 21 SER H 1.0 . 3.98 566 481 A 100 GLY H A 99 ARG HBy 1.0 . 3.34 567 482 A 21 SER H A 21 SER HBx 1.0 . 3.47 568 482 A 21 SER HBy A 21 SER H 1.0 . 3.47 569 483 A 21 SER H A 20 ASP HA 1.0 . 3.18 570 484 A 24 THR H A 24 THR HG2% 1.0 . 3.96 571 485 A 5 ALA HB% A 6 SER H 1.0 . 4.94 572 486 A 47 SER H A 47 SER HBx 1.0 . 3.00 573 486 A 47 SER HBy A 47 SER H 1.0 . 3.00 574 487 A 47 SER H A 46 GLY H 1.0 . 3.39 575 488 A 48 ILE H A 47 SER H 1.0 . 3.05 576 489 A 48 ILE HA A 47 SER H 1.0 . 5.16 577 490 A 44 VAL HA A 47 SER H 1.0 . 4.35 578 491 A 51 SER H A 50 GLU HBx 1.0 . 5.06 579 492 A 51 SER H A 50 GLU HBy 1.0 . 5.06 580 493 A 51 SER H A 49 ASP HBx 1.0 . 4.97 581 493 A 49 ASP HBy A 51 SER H 1.0 . 4.97 582 494 A 51 SER H A 50 GLU HGx 1.0 . 3.83 583 494 A 51 SER H A 50 GLU HGy 1.0 . 3.83 584 495 A 48 ILE HB A 47 SER H 1.0 . 5.37 585 496 A 48 ILE HG2% A 47 SER H 1.0 . 4.11 586 497 A 45 VAL HGx% A 47 SER H 1.0 . 4.79 587 498 A 48 ILE HD1% A 47 SER H 1.0 . 5.30 588 499 A 45 VAL HA A 47 SER H 1.0 . 3.89 589 500 A 45 VAL H A 47 SER H 1.0 . 4.56 590 501 A 64 PHE HD% A 64 PHE H 1.0 . 3.21 591 502 A 62 LYS H A 64 PHE H 1.0 . 4.40 592 503 A 64 PHE H A 66 ASP H 1.0 . 5.50 593 504 A 66 ASP H A 68 SER H 1.0 . 5.10 594 505 A 66 ASP H A 65 ALA HA 1.0 . 3.23 595 506 A 57 MET HA A 66 ASP H 1.0 . 3.95 596 507 A 64 PHE H A 62 LYS HA 1.0 . 4.33 597 508 A 64 PHE H A 64 PHE HBy 1.0 . 3.86 598 509 A 64 PHE H A 61 ASP HBy 1.0 . 4.56 599 510 A 64 PHE H A 64 PHE HBx 1.0 . 3.86 600 511 A 66 ASP H A 66 ASP HBx 1.0 . 3.42 601 512 A 66 ASP H A 56 CYS HBx 1.0 . 3.55 602 513 A 66 ASP H A 56 CYS HBy 1.0 . 3.38 603 514 A 66 ASP H A 57 MET HE% 1.0 . 5.35 604 515 A 64 PHE H A 63 ARG HBx 1.0 . 3.79 605 516 A 65 ALA HB% A 64 PHE H 1.0 . 3.67 606 517 A 64 PHE H A 63 ARG HBy 1.0 . 3.79 607 518 A 66 ASP H A 69 LYS HGx 1.0 . 3.18 608 518 A 69 LYS HGy A 66 ASP H 1.0 . 3.18 609 519 A 65 ALA HB% A 66 ASP H 1.0 . 3.86 610 520 A 66 ASP H A 56 CYS HA 1.0 . 4.04 611 521 A 66 ASP H A 64 PHE HA 1.0 . 4.23 612 522 A 67 CYS H A 66 ASP H 1.0 . 4.30 613 523 A 63 ARG H A 64 PHE H 1.0 . 3.00 614 524 A 73 MET H A 78 ILE HD1% 1.0 . 4.36 615 525 A 73 MET H A 72 GLU HBx 1.0 . 3.61 616 525 A 72 GLU HBy A 73 MET H 1.0 . 3.61 617 526 A 73 MET H A 73 MET HBx 1.0 . 3.47 618 527 A 57 MET H A 57 MET HBx 1.0 . 2.74 619 527 A 57 MET H A 57 MET HBy 1.0 . 2.74 620 528 A 57 MET H A 57 MET HGx 1.0 . 3.26 621 528 A 57 MET H A 57 MET HGy 1.0 . 3.26 622 529 A 71 GLN HE2x A 71 GLN HGx 1.0 . 3.40 623 529 A 71 GLN HGy A 71 GLN HE2x 1.0 . 3.40 624 530 A 71 GLN HE2y A 71 GLN HGx 1.0 . 3.40 625 530 A 71 GLN HGy A 71 GLN HE2y 1.0 . 3.40 626 531 A 73 MET H A 71 GLN HGx 1.0 . 3.52 627 531 A 71 GLN HGy A 73 MET H 1.0 . 3.52 628 532 A 69 LYS H A 68 SER H 1.0 . 3.10 629 533 A 57 MET H A 56 CYS HBx 1.0 . 3.62 630 534 A 57 MET H A 56 CYS HBy 1.0 . 3.75 631 535 A 71 GLN HE2x A 36 LYS HGx 1.0 . 5.50 632 535 A 36 LYS HGy A 71 GLN HE2x 1.0 . 5.50 633 536 A 78 ILE HD1% A 71 GLN HE2x 1.0 . 3.71 634 537 A 68 SER H A 68 SER HBx 1.0 . 3.50 635 538 A 75 ASN HA A 71 GLN HE2y 1.0 . 4.66 636 539 A 71 GLN HA A 73 MET H 1.0 . 5.13 637 540 A 73 MET H A 71 GLN HE2x 1.0 . 5.00 638 541 A 57 MET H A 66 ASP H 1.0 . 4.62 639 542 A 37 TRP HD1 A 71 GLN HE2y 1.0 . 4.09 640 543 A 37 TRP HD1 A 71 GLN HE2x 1.0 . 4.06 641 544 A 57 MET H A 58 ASN HD2x 1.0 . 4.82 642 545 A 74 SER HA A 71 GLN HE2y 1.0 . 5.10 643 546 A 68 SER H A 67 CYS HA 1.0 . 3.55 644 547 A 68 SER H A 68 SER HBy 1.0 . 3.50 645 548 A 68 SER H A 66 ASP HBy 1.0 . 3.80 646 549 A 68 SER H A 67 CYS HBy 1.0 . 3.81 647 550 A 71 GLN HE2y A 75 ASN HBx 1.0 . 5.22 648 550 A 75 ASN HBy A 71 GLN HE2y 1.0 . 5.22 649 551 A 68 SER H A 69 LYS HGx 1.0 . 3.94 650 551 A 69 LYS HGy A 68 SER H 1.0 . 3.94 651 552 A 57 MET H A 65 ALA HB% 1.0 . 5.08 652 553 A 84 ILE HG2% A 85 GLY H 1.0 . 3.54 653 554 A 68 SER H A 67 CYS HBx 1.0 . 3.86 654 555 A 85 GLY H A 84 ILE HA 1.0 . 2.73 655 556 A 57 MET H A 66 ASP HA 1.0 . 4.46 656 557 A 66 ASP HA A 68 SER H 1.0 . 4.14 657 558 A 57 MET H A 65 ALA HA 1.0 . 4.89 658 559 A 71 GLN HE2x A 74 SER HA 1.0 . 5.04 659 560 A 55 ILE HA A 57 MET H 1.0 . 4.79 660 561 A 84 ILE H A 85 GLY H 1.0 . 4.43 661 562 A 37 TRP HA A 71 GLN HE2x 1.0 . 5.50 662 563 A 85 GLY H A 84 ILE HG1x 1.0 . 3.43 663 564 A 84 ILE HB A 85 GLY H 1.0 . 3.46 664 565 A 86 GLN H A 85 GLY H 1.0 . 3.70 665 566 A 67 CYS H A 68 SER H 1.0 . 3.21 666 567 A 86 GLN HE2y A 86 GLN HGx 1.0 . 3.56 667 567 A 86 GLN HGy A 86 GLN HE2y 1.0 . 3.56 668 568 A 86 GLN HE2x A 86 GLN HGx 1.0 . 3.56 669 568 A 86 GLN HGy A 86 GLN HE2x 1.0 . 3.56 670 569 A 85 GLY H A 84 ILE HG1y 1.0 . 4.48 671 570 A 82 LEU HDy% A 86 GLN HE2y 1.0 . 5.50 672 571 A 82 LEU HDy% A 86 GLN HE2x 1.0 . 5.50 673 572 A 71 GLN HE2x A 72 GLU HBx 1.0 . 5.50 674 572 A 72 GLU HBy A 71 GLN HE2x 1.0 . 5.50 675 573 A 7 VAL HB A 8 GLY H 1.0 . 4.13 676 574 A 8 GLY H A 7 VAL HGx% 1.0 . 3.92 677 574 A 7 VAL HGy% A 8 GLY H 1.0 . 3.92 678 575 A 8 GLY H A 7 VAL HA 1.0 . 3.10 679 576 A 64 PHE HD% A 38 ARG HE 1.0 . 4.42 680 577 A 38 ARG HE A 59 ASN HD2y 1.0 . 3.53 681 578 A 54 TRP HZ2 A 59 ASN HD2y 1.0 . 4.46 682 579 A 59 ASN HD2y A 54 TRP HH2 1.0 . 4.94 683 580 A 59 ASN HD2y A 64 PHE HBx 1.0 . 3.43 684 581 A 59 ASN HD2x A 64 PHE HBx 1.0 . 4.00 685 582 A 59 ASN HD2y A 64 PHE HBy 1.0 . 3.43 686 583 A 59 ASN HD2x A 64 PHE HBy 1.0 . 4.00 687 584 A 59 ASN HBx A 59 ASN HD2x 1.0 . 3.67 688 585 A 59 ASN HBy A 59 ASN HD2x 1.0 . 4.01 689 586 A 38 ARG HE A 38 ARG HGx 1.0 . 3.49 690 586 A 38 ARG HGy A 38 ARG HE 1.0 . 3.49 691 587 A 38 ARG HE A 38 ARG HBx 1.0 . 4.08 692 587 A 38 ARG HBy A 38 ARG HE 1.0 . 4.08 693 588 A 75 ASN HD2x A 75 ASN HBx 1.0 . 3.52 694 588 A 75 ASN HBy A 75 ASN HD2x 1.0 . 3.52 695 589 A 75 ASN HD2y A 75 ASN HBx 1.0 . 3.46 696 589 A 75 ASN HBy A 75 ASN HD2y 1.0 . 3.46 697 590 A 42 ALA H A 43 SER H 1.0 . 3.88 698 591 A 45 VAL H A 43 SER H 1.0 . 4.67 699 592 A 26 SER HA A 43 SER H 1.0 . 5.50 700 593 A 43 SER H A 43 SER HBx 1.0 . 3.76 701 594 A 43 SER H A 41 PRO HGx 1.0 . 3.62 702 595 A 41 PRO HBx A 43 SER H 1.0 . 4.68 703 596 A 42 ALA HB% A 43 SER H 1.0 . 3.61 704 597 A 76 GLU HA A 79 ASN HD2y 1.0 . 4.48 705 598 A 76 GLU HA A 79 ASN HD2x 1.0 . 4.48 706 599 A 80 GLU H A 79 ASN HD2x 1.0 . 4.67 707 600 A 80 GLU H A 79 ASN HD2y 1.0 . 4.67 708 601 A 79 ASN HD2x A 79 ASN HBx 1.0 . 3.38 709 601 A 79 ASN HBy A 79 ASN HD2x 1.0 . 3.38 710 602 A 79 ASN HD2y A 79 ASN HBx 1.0 . 3.38 711 602 A 79 ASN HBy A 79 ASN HD2y 1.0 . 3.38 712 603 A 45 VAL H A 46 GLY H 1.0 . 3.53 713 604 A 35 PHE HD% A 30 ARG HE 1.0 . 4.32 714 605 A 31 CYS HA A 30 ARG HE 1.0 . 4.09 715 606 A 45 VAL HA A 46 GLY H 1.0 . 3.57 716 607 A 30 ARG HE A 31 CYS HBy 1.0 . 5.10 717 608 A 30 ARG HE A 35 PHE HBx 1.0 . 5.29 718 608 A 35 PHE HBy A 30 ARG HE 1.0 . 5.29 719 609 A 30 ARG HE A 30 ARG HBx 1.0 . 4.10 720 610 A 30 ARG HE A 30 ARG HBy 1.0 . 4.10 721 611 A 30 ARG HE A 30 ARG HGx 1.0 . 3.79 722 612 A 30 ARG HE A 30 ARG HGy 1.0 . 3.80 723 613 A 45 VAL HGx% A 46 GLY H 1.0 . 3.40 724 614 A 30 ARG HA A 30 ARG HE 1.0 . 4.14 725 615 A 45 VAL HB A 46 GLY H 1.0 . 4.09 726 616 A 83 GLY H A 82 LEU HA 1.0 . 3.54 727 617 A 83 GLY H A 82 LEU HBy 1.0 . 4.44 728 618 A 82 LEU HG A 83 GLY H 1.0 . 4.88 729 619 A 83 GLY H A 82 LEU HBx 1.0 . 3.36 730 620 A 42 ALA HB% A 46 GLY H 1.0 . 5.16 731 621 A 83 GLY H A 81 GLU HBx 1.0 . 4.39 732 621 A 81 GLU HBy A 83 GLY H 1.0 . 4.39 733 622 A 82 LEU HDy% A 83 GLY H 1.0 . 5.18 734 623 A 82 LEU HDx% A 83 GLY H 1.0 . 4.84 735 624 A 83 GLY H A 84 ILE HG2% 1.0 . 3.99 736 625 A 39 ARG HE A 39 ARG HGy 1.0 . 3.79 737 626 A 39 ARG HE A 39 ARG HGx 1.0 . 3.79 738 627 A 58 ASN HA A 58 ASN HD2y 1.0 . 3.74 739 628 A 58 ASN HD2x A 58 ASN HA 1.0 . 3.91 740 629 A 58 ASN HD2x A 55 ILE HG1x 1.0 . 4.34 741 629 A 55 ILE HG1y A 58 ASN HD2x 1.0 . 4.34 742 630 A 58 ASN HD2x A 55 ILE HD1% 1.0 . 4.74 743 631 A 58 ASN HD2y A 55 ILE HD1% 1.0 . 4.43 744 632 A 32 ASP H A 54 TRP HBx 1.0 . 4.99 745 633 A 28 TRP HE1 A 81 GLU HGx 1.0 . 3.63 746 633 A 28 TRP HE1 A 81 GLU HGy 1.0 . 3.63 747 634 A 75 ASN HA A 37 TRP HE1 1.0 . 5.50 748 635 A 37 TRP HE1 A 78 ILE HD1% 1.0 . 4.10 749 636 A 82 LEU HDx% A 37 TRP HE1 1.0 . 5.50 750 637 A 82 LEU HDy% A 37 TRP HE1 1.0 . 5.50 751 638 A 28 TRP H A 21 SER HA 1.0 . 5.50 752 639 A 79 ASN H A 78 ILE HD1% 1.0 . 4.51 753 640 A 28 TRP HE1 A 82 LEU HA 1.0 . 5.50 754 641 A 64 PHE H A 65 ALA HA 1.0 . 4.69 755 642 A 64 PHE H A 59 ASN HBx 1.0 . 5.50 756 643 A 64 PHE H A 62 LYS HEx 1.0 . 5.50 757 643 A 62 LYS HEy A 64 PHE H 1.0 . 5.50 758 644 A 64 PHE H A 59 ASN HD2y 1.0 . 4.57 759 645 A 54 TRP HE1 A 60 SER H 1.0 . 4.33 760 646 A 37 TRP HE1 A 37 TRP HA 1.0 . 5.50 761 647 A 58 ASN HBy A 55 ILE H 1.0 . 3.53 762 648 A 55 ILE H A 57 MET HGx 1.0 . 4.70 763 648 A 57 MET HGy A 55 ILE H 1.0 . 4.70 764 649 A 87 ASP H A 87 ASP HBy 1.0 . 3.62 765 650 A 52 SER H A 50 GLU H 1.0 . 4.95 766 651 A 22 TYR H A 22 TYR HBy 1.0 . 4.02 767 652 A 34 CYS H A 33 ASP HBy 1.0 . 3.97 768 653 A 37 TRP H A 36 LYS HDx 1.0 . 3.81 769 653 A 37 TRP H A 36 LYS HDy 1.0 . 3.81 770 654 A 33 ASP H A 33 ASP HBx 1.0 . 3.53 771 655 A 57 MET H A 55 ILE HG1x 1.0 . 3.38 772 655 A 57 MET H A 55 ILE HG1y 1.0 . 3.38 773 656 A 57 MET H A 58 ASN H 1.0 . 3.31 774 657 A 58 ASN H A 58 ASN HD2x 1.0 . 3.44 775 658 A 74 SER H A 74 SER HBy 1.0 . 3.78 776 659 A 22 TYR HA A 23 SER H 1.0 . 3.71 777 660 A 59 ASN HBy A 58 ASN H 1.0 . 4.50 778 661 A 56 CYS HA A 58 ASN H 1.0 . 4.02 779 662 A 58 ASN H A 57 MET HBx 1.0 . 3.70 780 662 A 57 MET HBy A 58 ASN H 1.0 . 3.70 781 663 A 58 ASN H A 57 MET HGx 1.0 . 2.98 782 663 A 57 MET HGy A 58 ASN H 1.0 . 2.98 783 664 A 77 GLU H A 74 SER H 1.0 . 4.34 784 665 A 78 ILE H A 74 SER H 1.0 . 5.23 785 666 A 56 CYS H A 58 ASN H 1.0 . 3.97 786 667 A 75 ASN H A 74 SER H 1.0 . 4.78 787 668 A 73 MET H A 74 SER H 1.0 . 4.80 788 669 A 35 PHE H A 32 ASP H 1.0 . 4.70 789 670 A 42 ALA H A 43 SER HA 1.0 . 5.43 790 671 A 28 TRP H A 40 ILE HD1% 1.0 . 5.47 791 672 A 35 PHE H A 30 ARG HDx 1.0 . 4.70 792 672 A 35 PHE H A 30 ARG HDy 1.0 . 4.70 793 673 A 42 ALA H A 45 VAL HGx% 1.0 . 4.34 794 674 A 30 ARG H A 30 ARG HBy 1.0 . 3.35 795 675 A 39 ARG H A 39 ARG HDx 1.0 . 4.56 796 675 A 39 ARG H A 39 ARG HDy 1.0 . 4.56 797 676 A 49 ASP H A 47 SER H 1.0 . 4.10 798 677 A 27 ALA H A 45 VAL HB 1.0 . 3.97 799 678 A 62 LYS H A 62 LYS HBy 1.0 . 3.93 800 679 A 96 ALA H A 95 ASP H 1.0 . 3.84 801 680 A 95 ASP H A 95 ASP HBx 1.0 . 4.04 802 681 A 29 VAL H A 38 ARG HBx 1.0 . 3.77 803 681 A 38 ARG HBy A 29 VAL H 1.0 . 3.77 804 682 A 40 ILE HD1% A 29 VAL H 1.0 . 4.56 805 683 A 37 TRP HZ3 A 29 VAL H 1.0 . 4.20 806 684 A 77 GLU H A 78 ILE HB 1.0 . 5.21 807 685 A 44 VAL HA A 46 GLY H 1.0 . 3.84 808 686 A 48 ILE H A 46 GLY H 1.0 . 4.24 809 687 A 43 SER H A 43 SER HBy 1.0 . 3.76 810 688 A 41 PRO HA A 43 SER H 1.0 . 3.87 811 689 A 78 ILE H A 75 ASN HD2y 1.0 . 5.50 812 690 A 41 PRO HBy A 43 SER H 1.0 . 5.50 813 691 A 57 MET HE% A 68 SER H 1.0 . 4.51 814 692 A 53 ARG H A 51 SER H 1.0 . 4.56 815 693 A 82 LEU H A 78 ILE HG2% 1.0 . 3.84 816 694 A 82 LEU H A 79 ASN HBx 1.0 . 5.50 817 694 A 79 ASN HBy A 82 LEU H 1.0 . 5.50 818 695 A 82 LEU H A 84 ILE HG1y 1.0 . 4.23 819 696 A 42 ALA HB% A 26 SER H 1.0 . 3.93 820 697 A 26 SER H A 26 SER HBx 1.0 . 3.44 821 697 A 26 SER HBy A 26 SER H 1.0 . 3.44 822 698 A 27 ALA H A 26 SER H 1.0 . 4.77 823 699 A 98 LYS H A 98 LYS HDx 1.0 . 3.87 824 699 A 98 LYS H A 98 LYS HDy 1.0 . 3.87 825 700 A 71 GLN HE2x A 75 ASN H 1.0 . 5.44 826 701 A 16 VAL H A 17 THR HG2% 1.0 . 4.54 827 702 A 32 ASP H A 55 ILE HB 1.0 . 4.78 828 703 A 4 ARG H A 3 ARG HGx 1.0 . 4.42 829 703 A 4 ARG H A 3 ARG HGy 1.0 . 4.42 830 704 A 38 ARG H A 30 ARG HBy 1.0 . 5.14 831 705 A 40 ILE HG2% A 38 ARG H 1.0 . 4.88 832 706 A 36 LYS H A 36 LYS HBx 1.0 . 3.05 833 706 A 36 LYS H A 36 LYS HBy 1.0 . 3.05 834 707 A 65 ALA HB% A 58 ASN H 1.0 . 4.66 835 708 A 28 TRP HE3 A 40 ILE H 1.0 . 5.36 836 709 A 82 LEU H A 28 TRP HE1 1.0 . 4.45 837 710 A 57 MET HE% A 55 ILE H 1.0 . 5.50 838 711 A 54 TRP H A 55 ILE H 1.0 . 4.39 839 712 A 32 ASP H A 55 ILE H 1.0 . 5.19 840 713 A 83 GLY H A 81 GLU HGx 1.0 . 5.39 841 713 A 81 GLU HGy A 83 GLY H 1.0 . 5.39 842 714 A 39 ARG HE A 73 MET HE% 1.0 . 5.05 843 715 A 65 ALA HA A 59 ASN HD2y 1.0 . 5.50 844 716 A 59 ASN HD2x A 65 ALA HA 1.0 . 5.50 845 717 A 75 ASN H A 71 GLN HE2y 1.0 . 5.19 846 718 A 82 LEU HG A 28 TRP HE1 1.0 . 4.24 847 719 A 54 TRP HE1 A 58 ASN HBy 1.0 . 3.79 848 720 A 32 ASP H A 53 ARG HGx 1.0 . 5.50 849 720 A 32 ASP H A 53 ARG HGy 1.0 . 5.50 850 721 A 54 TRP HE3 A 31 CYS H 1.0 . 4.29 851 722 A 38 ARG H A 29 VAL HB 1.0 . 5.50 852 723 A 59 ASN HA A 60 SER H 1.0 . 2.88 853 724 A 50 GLU H A 49 ASP HA 1.0 . 3.05 854 725 A 38 ARG H A 28 TRP HZ3 1.0 . 4.45 855 726 A 41 PRO HBy A 45 VAL H 1.0 . 5.04 856 727 A 38 ARG HA A 38 ARG HE 1.0 . 4.94 857 728 A 59 ASN HBy A 38 ARG HE 1.0 . 5.31 858 729 A 59 ASN HD2y A 38 ARG HGx 1.0 . 4.59 859 729 A 38 ARG HGy A 59 ASN HD2y 1.0 . 4.59 860 730 A 59 ASN HD2x A 61 ASP HBx 1.0 . 3.51 861 731 A 59 ASN HD2y A 61 ASP HBx 1.0 . 4.51 862 732 A 38 ARG HE A 54 TRP HH2 1.0 . 4.62 863 733 A 54 TRP HZ2 A 38 ARG HE 1.0 . 5.50 864 734 A 59 ASN HD2x A 38 ARG HDx 1.0 . 5.15 865 734 A 59 ASN HD2x A 38 ARG HDy 1.0 . 5.15 866 735 A 59 ASN HD2x A 61 ASP HBy 1.0 . 5.50 867 736 A 73 MET H A 73 MET HE% 1.0 . 5.34 868 737 A 98 LYS H A 96 ALA HA 1.0 . 4.09 869 738 A 11 PHE H A 10 GLU HA 1.0 . 3.02 870 739 A 92 TYR H A 91 ALA HA 1.0 . 3.21 871 740 A 16 VAL H A 15 ASP HA 1.0 . 2.82 872 741 A 26 SER H A 25 GLU HGy 1.0 . 5.50 873 742 A 26 SER H A 25 GLU HGx 1.0 . 5.50 874 743 A 82 LEU H A 78 ILE HA 1.0 . 4.41 875 744 A 98 LYS H A 98 LYS HEx 1.0 . 4.33 876 744 A 98 LYS H A 98 LYS HEy 1.0 . 4.33 877 745 A 90 ASP H A 88 GLU HGx 1.0 . 5.50 878 745 A 90 ASP H A 88 GLU HGy 1.0 . 5.50 879 746 A 33 ASP H A 35 PHE HD% 1.0 . 5.12 880 747 A 40 ILE HG1y A 29 VAL H 1.0 . 4.54 881 748 A 49 ASP H A 47 SER HA 1.0 . 4.29 882 749 A 10 GLU HA A 9 SER H 1.0 . 4.78 883 750 A 84 ILE HB A 86 GLN H 1.0 . 5.00 884 751 A 98 LYS H A 98 LYS HBy 1.0 . 3.98 885 752 A 7 VAL H A 6 SER HA 1.0 . 3.16 886 753 A 97 ALA H A 96 ALA HA 1.0 . 3.50 887 754 A 12 MET H A 11 PHE HA 1.0 . 2.97 888 755 A 22 TYR H A 21 SER HA 1.0 . 3.11 889 756 A 59 ASN H A 65 ALA HA 1.0 . 3.75 890 757 A 59 ASN H A 58 ASN HA 1.0 . 3.33 891 758 A 99 ARG H A 98 LYS HA 1.0 . 2.71 892 759 A 10 GLU H A 10 GLU HGy 1.0 . 4.86 893 760 A 56 CYS H A 55 ILE H 1.0 . 4.50 894 761 A 60 SER H A 61 ASP HBx 1.0 . 4.57 895 762 A 79 ASN H A 82 LEU HDx% 1.0 . 5.50 896 763 A 67 CYS H A 69 LYS H 1.0 . 4.45 897 764 A 72 GLU H A 71 GLN H 1.0 . 4.77 898 765 A 76 GLU H A 74 SER HA 1.0 . 5.34 899 766 A 87 ASP HA A 87 ASP H 1.0 . 2.94 900 767 A 97 ALA H A 95 ASP HA 1.0 . 4.89 901 768 A 93 ASP H A 92 TYR HD% 1.0 . 3.65 902 769 A 32 ASP H A 30 ARG HE 1.0 . 4.66 903 770 A 32 ASP H A 54 TRP HZ3 1.0 . 5.50 904 771 A 50 GLU H A 50 GLU HBx 1.0 . 3.82 905 772 A 59 ASN HD2x A 38 ARG HE 1.0 . 4.84 906 773 A 33 ASP H A 35 PHE HE% 1.0 . 5.16 907 774 A 40 ILE HD1% A 60 SER H 1.0 . 5.50 908 775 A 61 ASP H A 60 SER HBy 1.0 . 4.96 909 776 A 61 ASP H A 60 SER HBx 1.0 . 4.96 910 777 A 48 ILE H A 49 ASP HBx 1.0 . 5.50 911 777 A 49 ASP HBy A 48 ILE H 1.0 . 5.50 912 778 A 31 CYS H A 37 TRP HE3 1.0 . 5.50 913 779 A 66 ASP H A 56 CYS H 1.0 . 5.50 914 780 A 23 SER H A 22 TYR HBy 1.0 . 3.75 915 781 A 23 SER H A 22 TYR HBx 1.0 . 3.75 916 782 A 39 ARG HE A 26 SER HBx 1.0 . 3.35 917 782 A 26 SER HBy A 39 ARG HE 1.0 . 3.35 918 783 A 59 ASN HD2y A 61 ASP HBy 1.0 . 3.45 919 784 A 52 SER H A 51 SER HBy 1.0 . 4.55 920 785 A 58 ASN HBx A 59 ASN H 1.0 . 3.50 921 786 A 80 GLU H A 80 GLU HGx 1.0 . 3.58 922 787 A 40 ILE HA A 41 PRO HDy 1.0 . 3.51 923 788 A 40 ILE HA A 41 PRO HDx 1.0 . 3.43 924 789 A 40 ILE HG1x A 41 PRO HDx 1.0 . 4.60 925 790 A 69 LYS HGy A 66 ASP HBx 1.0 . 3.36 926 790 A 66 ASP HBx A 69 LYS HGx 1.0 . 3.36 927 791 A 62 LYS HDx A 63 ARG HDx 1.0 . 5.50 928 791 A 62 LYS HDy A 63 ARG HDx 1.0 . 5.50 929 791 A 63 ARG HDy A 62 LYS HDx 1.0 . 5.50 930 791 A 62 LYS HDy A 63 ARG HDy 1.0 . 5.50 931 792 A 3 ARG HDy A 3 ARG HBx 1.0 . 3.42 932 792 A 3 ARG HBx A 3 ARG HDx 1.0 . 3.42 933 793 A 53 ARG HBy A 53 ARG HDx 1.0 . 3.52 934 793 A 53 ARG HDx A 53 ARG HBx 1.0 . 3.52 935 794 A 62 LYS HEy A 62 LYS HGx 1.0 . 2.75 936 794 A 62 LYS HEx A 62 LYS HGx 1.0 . 2.75 937 794 A 62 LYS HGy A 62 LYS HEx 1.0 . 2.75 938 794 A 62 LYS HEy A 62 LYS HGy 1.0 . 2.75 939 795 A 39 ARG HDy A 39 ARG HBx 1.0 . 3.20 940 795 A 39 ARG HBx A 39 ARG HDx 1.0 . 3.20 941 796 A 39 ARG HDy A 39 ARG HBy 1.0 . 3.20 942 796 A 39 ARG HBy A 39 ARG HDx 1.0 . 3.20 943 797 A 30 ARG HDy A 30 ARG HBy 1.0 . 3.41 944 797 A 30 ARG HBy A 30 ARG HDx 1.0 . 3.41 945 798 A 30 ARG HDy A 30 ARG HBx 1.0 . 3.41 946 798 A 30 ARG HBx A 30 ARG HDx 1.0 . 3.41 947 799 A 82 LEU HDy% A 82 LEU HBx 1.0 . 3.29 948 800 A 82 LEU HDx% A 82 LEU HBy 1.0 . 3.10 949 801 A 82 LEU HDx% A 82 LEU HBx 1.0 . 3.18 950 802 A 82 LEU H A 82 LEU HBy 1.0 . 3.72 951 803 A 35 PHE HE% A 30 ARG HDx 1.0 . 4.20 952 803 A 30 ARG HDy A 35 PHE HE% 1.0 . 4.20 953 804 A 55 ILE HG2% A 32 ASP HBy 1.0 . 3.22 954 805 A 55 ILE HG2% A 33 ASP HBx 1.0 . 3.56 955 806 A 40 ILE HB A 41 PRO HDy 1.0 . 3.44 956 807 A 40 ILE HB A 41 PRO HDx 1.0 . 3.11 957 808 A 40 ILE HD1% A 40 ILE HB 1.0 . 3.12 958 809 A 48 ILE HA A 48 ILE HB 1.0 . 2.82 959 810 A 65 ALA HB% A 59 ASN HBx 1.0 . 3.21 960 811 A 48 ILE HD1% A 48 ILE HB 1.0 . 3.17 961 812 A 18 ILE HB A 19 GLU HGx 1.0 . 5.15 962 812 A 18 ILE HB A 19 GLU HGy 1.0 . 5.15 963 813 A 58 ASN HBy A 58 ASN HA 1.0 . 2.96 964 814 A 59 ASN HBx A 65 ALA HA 1.0 . 3.32 965 815 A 19 GLU HGy A 19 GLU HBy 1.0 . 2.65 966 815 A 19 GLU HBy A 19 GLU HGx 1.0 . 2.65 967 816 A 88 GLU HGy A 88 GLU HBy 1.0 . 2.83 968 816 A 88 GLU HBy A 88 GLU HGx 1.0 . 2.83 969 817 A 19 GLU HGy A 19 GLU HBx 1.0 . 2.65 970 817 A 19 GLU HBx A 19 GLU HGx 1.0 . 2.65 971 818 A 40 ILE HD1% A 29 VAL HB 1.0 . 4.25 972 819 A 40 ILE HG2% A 29 VAL HB 1.0 . 4.59 973 820 A 48 ILE HD1% A 29 VAL HB 1.0 . 4.89 974 821 A 55 ILE HG1x A 57 MET HGx 1.0 . 3.35 975 821 A 57 MET HGy A 55 ILE HG1x 1.0 . 3.35 976 821 A 55 ILE HG1y A 57 MET HGy 1.0 . 3.35 977 821 A 55 ILE HG1y A 57 MET HGx 1.0 . 3.35 978 822 A 55 ILE HD1% A 57 MET HGx 1.0 . 3.52 979 822 A 57 MET HGy A 55 ILE HD1% 1.0 . 3.52 980 823 A 73 MET HA A 73 MET HGy 1.0 . 3.90 981 824 A 12 MET HA A 12 MET HGx 1.0 . 3.30 982 824 A 12 MET HA A 12 MET HGy 1.0 . 3.30 983 825 A 73 MET HA A 73 MET HGx 1.0 . 3.90 984 826 A 57 MET HA A 57 MET HBx 1.0 . 2.95 985 826 A 57 MET HA A 57 MET HBy 1.0 . 2.95 986 827 A 3 ARG HDy A 3 ARG HGx 1.0 . 2.61 987 827 A 3 ARG HGy A 3 ARG HDx 1.0 . 2.61 988 827 A 3 ARG HGy A 3 ARG HDy 1.0 . 2.61 989 827 A 3 ARG HDx A 3 ARG HGx 1.0 . 2.61 990 828 A 82 LEU HDy% A 82 LEU HBy 1.0 . 3.17 991 829 A 98 LYS HGx A 98 LYS HDx 1.0 . 2.62 992 829 A 98 LYS HDy A 98 LYS HGx 1.0 . 2.62 993 830 A 82 LEU HDy% A 84 ILE HG1y 1.0 . 5.38 994 831 A 27 ALA HB% A 45 VAL HGy% 1.0 . 3.13 995 832 A 78 ILE HG2% A 82 LEU HDx% 1.0 . 4.23 996 833 A 40 ILE HD1% A 29 VAL HGy% 1.0 . 3.79 997 834 A 48 ILE HD1% A 29 VAL HGy% 1.0 . 4.43 998 835 A 45 VAL HGy% A 29 VAL HGy% 1.0 . 4.40 999 836 A 45 VAL HGy% A 29 VAL HGx% 1.0 . 4.40 1000 837 A 30 ARG H A 29 VAL HGx% 1.0 . 4.18 1001 838 A 54 TRP HD1 A 29 VAL HGy% 1.0 . 5.48 1002 839 A 54 TRP HE3 A 29 VAL HGy% 1.0 . 5.50 1003 840 A 54 TRP HD1 A 29 VAL HGx% 1.0 . 5.48 1004 841 A 54 TRP HE3 A 29 VAL HGx% 1.0 . 5.50 1005 842 A 40 ILE HG2% A 54 TRP HZ2 1.0 . 3.81 1006 843 A 40 ILE HG2% A 40 ILE HA 1.0 . 3.48 1007 844 A 40 ILE HG2% A 41 PRO HDy 1.0 . 4.19 1008 845 A 40 ILE HG2% A 41 PRO HDx 1.0 . 4.12 1009 846 A 40 ILE HG2% A 38 ARG HGx 1.0 . 4.20 1010 846 A 40 ILE HG2% A 38 ARG HGy 1.0 . 4.20 1011 847 A 40 ILE HG2% A 44 VAL HB 1.0 . 5.45 1012 848 A 40 ILE HG2% A 40 ILE HG1y 1.0 . 3.75 1013 849 A 40 ILE HG2% A 40 ILE HD1% 1.0 . 2.92 1014 850 A 40 ILE HG2% A 29 VAL HGy% 1.0 . 4.00 1015 851 A 40 ILE HG2% A 29 VAL HGx% 1.0 . 4.00 1016 852 A 78 ILE HG2% A 82 LEU HDy% 1.0 . 3.89 1017 853 A 78 ILE HG2% A 78 ILE HG1y 1.0 . 4.18 1018 854 A 78 ILE HG2% A 78 ILE HG1x 1.0 . 4.18 1019 855 A 40 ILE HD1% A 29 VAL HGx% 1.0 . 3.79 1020 856 A 40 ILE HD1% A 45 VAL HGy% 1.0 . 3.53 1021 857 A 78 ILE HG2% A 78 ILE HD1% 1.0 . 3.60 1022 858 A 48 ILE HD1% A 45 VAL HGy% 1.0 . 3.31 1023 859 A 48 ILE HG2% A 48 ILE HD1% 1.0 . 3.61 1024 860 A 78 ILE HD1% A 37 TRP HBx 1.0 . 3.93 1025 861 A 78 ILE HD1% A 71 GLN HGx 1.0 . 3.53 1026 861 A 71 GLN HGy A 78 ILE HD1% 1.0 . 3.53 1027 862 A 78 ILE HD1% A 37 TRP HBy 1.0 . 4.01 1028 863 A 75 ASN HA A 78 ILE HD1% 1.0 . 3.81 1029 864 A 55 ILE HD1% A 57 MET HBx 1.0 . 3.73 1030 864 A 57 MET HBy A 55 ILE HD1% 1.0 . 3.73 1031 865 A 55 ILE HB A 55 ILE HD1% 1.0 . 3.18 1032 866 A 40 ILE HD1% A 44 VAL HB 1.0 . 4.84 1033 867 A 40 ILE HD1% A 45 VAL HA 1.0 . 3.81 1034 868 A 78 ILE HD1% A 37 TRP HD1 1.0 . 3.25 1035 869 A 55 ILE H A 55 ILE HD1% 1.0 . 4.02 1036 870 A 57 MET H A 55 ILE HD1% 1.0 . 3.94 1037 871 A 82 LEU HDy% A 84 ILE HD1% 1.0 . 4.32 1038 872 A 82 LEU HDx% A 84 ILE HD1% 1.0 . 4.25 1039 873 A 84 ILE HB A 84 ILE HD1% 1.0 . 3.01 1040 874 A 18 ILE HB A 18 ILE HD1% 1.0 . 3.38 1041 875 A 27 ALA HA A 26 SER HBx 1.0 . 4.42 1042 875 A 27 ALA HA A 26 SER HBy 1.0 . 4.42 1043 876 A 41 PRO HA A 26 SER HBx 1.0 . 4.16 1044 876 A 26 SER HBy A 41 PRO HA 1.0 . 4.16 1045 877 A 39 ARG HA A 26 SER HBx 1.0 . 4.71 1046 877 A 26 SER HBy A 39 ARG HA 1.0 . 4.71 1047 878 A 40 ILE HG1x A 45 VAL HA 1.0 . 4.92 1048 879 A 45 VAL HGy% A 45 VAL HA 1.0 . 3.29 1049 880 A 26 SER HBy A 39 ARG HGy 1.0 . 3.79 1050 880 A 39 ARG HGy A 26 SER HBx 1.0 . 3.79 1051 881 A 40 ILE HG1y A 26 SER HBx 1.0 . 5.50 1052 881 A 26 SER HBy A 40 ILE HG1y 1.0 . 5.50 1053 882 A 27 ALA HB% A 26 SER HBx 1.0 . 4.85 1054 882 A 27 ALA HB% A 26 SER HBy 1.0 . 4.85 1055 883 A 78 ILE HA A 81 GLU HBx 1.0 . 4.18 1056 883 A 81 GLU HBy A 78 ILE HA 1.0 . 4.18 1057 884 A 6 SER HBx A 7 VAL HGx% 1.0 . 4.12 1058 884 A 7 VAL HGy% A 6 SER HBx 1.0 . 4.12 1059 884 A 6 SER HBy A 7 VAL HGy% 1.0 . 4.12 1060 884 A 6 SER HBy A 7 VAL HGx% 1.0 . 4.12 1061 885 A 78 ILE HG2% A 78 ILE HA 1.0 . 3.56 1062 886 A 77 GLU HA A 77 GLU HBx 1.0 . 2.91 1063 886 A 77 GLU HBy A 77 GLU HA 1.0 . 2.91 1064 887 A 81 GLU HA A 81 GLU HGx 1.0 . 3.28 1065 887 A 81 GLU HA A 81 GLU HGy 1.0 . 3.28 1066 888 A 62 LYS HA A 62 LYS HGx 1.0 . 3.36 1067 888 A 62 LYS HGy A 62 LYS HA 1.0 . 3.36 1068 889 A 72 GLU HA A 72 GLU HGx 1.0 . 3.69 1069 890 A 82 LEU HG A 82 LEU HA 1.0 . 4.20 1070 891 A 82 LEU HDx% A 82 LEU HA 1.0 . 3.90 1071 892 A 39 ARG HA A 28 TRP HA 1.0 . 3.98 1072 893 A 45 VAL HGx% A 42 ALA HA 1.0 . 3.55 1073 894 A 40 ILE HG2% A 39 ARG HDx 1.0 . 5.50 1074 894 A 40 ILE HG2% A 39 ARG HDy 1.0 . 5.50 1075 895 A 28 TRP HE3 A 28 TRP HBy 1.0 . 3.74 1076 896 A 37 TRP HE3 A 28 TRP HBy 1.0 . 4.14 1077 897 A 37 TRP HD1 A 37 TRP HBx 1.0 . 3.37 1078 898 A 71 GLN HA A 71 GLN HGx 1.0 . 4.12 1079 898 A 71 GLN HGy A 71 GLN HA 1.0 . 4.12 1080 899 A 73 MET HA A 71 GLN HGx 1.0 . 4.97 1081 899 A 71 GLN HGy A 73 MET HA 1.0 . 4.97 1082 900 A 18 ILE HG2% A 19 GLU HGx 1.0 . 4.11 1083 900 A 18 ILE HG2% A 19 GLU HGy 1.0 . 4.11 1084 901 A 76 GLU HA A 79 ASN HBx 1.0 . 3.00 1085 901 A 79 ASN HBy A 76 GLU HA 1.0 . 3.00 1086 902 A 75 ASN HA A 75 ASN HBx 1.0 . 2.98 1087 902 A 75 ASN HBy A 75 ASN HA 1.0 . 2.98 1088 903 A 77 GLU HA A 77 GLU HGx 1.0 . 2.84 1089 903 A 77 GLU HGy A 77 GLU HA 1.0 . 2.84 1090 904 A 76 GLU H A 76 GLU HGx 1.0 . 3.63 1091 905 A 77 GLU H A 76 GLU HGx 1.0 . 4.04 1092 906 A 77 GLU H A 77 GLU HGx 1.0 . 4.12 1093 906 A 77 GLU H A 77 GLU HGy 1.0 . 4.12 1094 907 A 78 ILE H A 77 GLU HGx 1.0 . 4.14 1095 907 A 78 ILE H A 77 GLU HGy 1.0 . 4.14 1096 908 A 62 LYS HEy A 63 ARG HDx 1.0 . 3.35 1097 908 A 62 LYS HEx A 63 ARG HDx 1.0 . 3.35 1098 908 A 63 ARG HDy A 62 LYS HEx 1.0 . 3.35 1099 908 A 62 LYS HEy A 63 ARG HDy 1.0 . 3.35 1100 909 A 35 PHE HA A 30 ARG HDx 1.0 . 3.78 1101 909 A 30 ARG HDy A 35 PHE HA 1.0 . 3.78 1102 910 A 30 ARG HDy A 35 PHE HBx 1.0 . 3.97 1103 910 A 30 ARG HDx A 35 PHE HBx 1.0 . 3.97 1104 910 A 35 PHE HBy A 30 ARG HDx 1.0 . 3.97 1105 910 A 35 PHE HBy A 30 ARG HDy 1.0 . 3.97 1106 911 A 26 SER HBy A 39 ARG HDx 1.0 . 3.98 1107 911 A 26 SER HBx A 39 ARG HDx 1.0 . 3.98 1108 911 A 39 ARG HDy A 26 SER HBx 1.0 . 3.98 1109 911 A 26 SER HBy A 39 ARG HDy 1.0 . 3.98 1110 912 A 69 LYS HGy A 66 ASP HBy 1.0 . 4.56 1111 912 A 66 ASP HBy A 69 LYS HGx 1.0 . 4.56 1112 913 A 66 ASP H A 66 ASP HBy 1.0 . 3.87 1113 914 A 68 SER H A 66 ASP HBx 1.0 . 4.02 1114 915 A 84 ILE HB A 82 LEU HBx 1.0 . 5.25 1115 916 A 78 ILE HB A 78 ILE HD1% 1.0 . 3.27 1116 917 A 78 ILE HB A 75 ASN HA 1.0 . 3.29 1117 918 A 48 ILE HB A 48 ILE H 1.0 . 3.62 1118 919 A 78 ILE HD1% A 77 GLU HGx 1.0 . 5.50 1119 919 A 78 ILE HD1% A 77 GLU HGy 1.0 . 5.50 1120 920 A 67 CYS H A 67 CYS HBy 1.0 . 3.02 1121 921 A 64 PHE HD% A 72 GLU HBx 1.0 . 4.96 1122 921 A 64 PHE HD% A 72 GLU HBy 1.0 . 4.96 1123 922 A 64 PHE HE% A 72 GLU HBx 1.0 . 5.34 1124 922 A 72 GLU HBy A 64 PHE HE% 1.0 . 5.34 1125 923 A 62 LYS HDy A 62 LYS HEx 1.0 . 2.83 1126 923 A 62 LYS HDx A 62 LYS HEx 1.0 . 2.83 1127 923 A 62 LYS HEy A 62 LYS HDx 1.0 . 2.83 1128 923 A 62 LYS HEy A 62 LYS HDy 1.0 . 2.83 1129 924 A 82 LEU HG A 78 ILE HA 1.0 . 4.62 1130 925 A 30 ARG HGy A 35 PHE HA 1.0 . 3.52 1131 926 A 30 ARG HA A 30 ARG HGx 1.0 . 3.89 1132 927 A 30 ARG HGy A 31 CYS HBy 1.0 . 4.58 1133 928 A 30 ARG HGy A 35 PHE HBx 1.0 . 4.86 1134 928 A 35 PHE HBy A 30 ARG HGy 1.0 . 4.86 1135 929 A 62 LYS HGy A 62 LYS HBx 1.0 . 2.84 1136 929 A 62 LYS HBx A 62 LYS HGx 1.0 . 2.84 1137 930 A 62 LYS HGy A 62 LYS HBy 1.0 . 2.84 1138 930 A 62 LYS HBy A 62 LYS HGx 1.0 . 2.84 1139 931 A 82 LEU HDy% A 28 TRP HBy 1.0 . 4.87 1140 932 A 82 LEU HDy% A 82 LEU HA 1.0 . 3.42 1141 933 A 82 LEU HDx% A 79 ASN HA 1.0 . 4.11 1142 934 A 69 LYS HEx A 69 LYS HGx 1.0 . 3.51 1143 934 A 69 LYS HEy A 69 LYS HGx 1.0 . 3.51 1144 934 A 69 LYS HGy A 69 LYS HEx 1.0 . 3.51 1145 934 A 69 LYS HGy A 69 LYS HEy 1.0 . 3.51 1146 935 A 82 LEU HDx% A 84 ILE HG2% 1.0 . 3.22 1147 936 A 82 LEU HDy% A 84 ILE HG2% 1.0 . 3.76 1148 937 A 24 THR HA A 24 THR HG2% 1.0 . 2.76 1149 938 A 7 VAL HA A 7 VAL HGx% 1.0 . 2.64 1150 938 A 7 VAL HGy% A 7 VAL HA 1.0 . 2.64 1151 939 A 13 VAL HA A 13 VAL HGx% 1.0 . 2.85 1152 939 A 13 VAL HA A 13 VAL HGy% 1.0 . 2.85 1153 940 A 29 VAL HA A 29 VAL HGy% 1.0 . 3.80 1154 941 A 29 VAL HA A 29 VAL HGx% 1.0 . 3.80 1155 942 A 27 ALA HB% A 29 VAL HGy% 1.0 . 5.50 1156 943 A 27 ALA HB% A 29 VAL HGx% 1.0 . 5.50 1157 944 A 40 ILE HG1y A 29 VAL HGx% 1.0 . 5.30 1158 945 A 40 ILE HG1y A 29 VAL HGy% 1.0 . 5.30 1159 946 A 40 ILE HD1% A 48 ILE HD1% 1.0 . 3.64 1160 947 A 48 ILE HD1% A 29 VAL HGx% 1.0 . 4.43 1161 948 A 84 ILE HD1% A 82 LEU HBx 1.0 . 4.82 1162 949 A 48 ILE HD1% A 45 VAL HA 1.0 . 3.72 1163 950 A 18 ILE HA A 18 ILE HD1% 1.0 . 3.48 1164 951 A 79 ASN HA A 84 ILE HD1% 1.0 . 3.27 1165 952 A 48 ILE HA A 48 ILE HD1% 1.0 . 3.91 1166 953 A 48 ILE HD1% A 49 ASP HA 1.0 . 4.04 1167 954 A 40 ILE HD1% A 40 ILE HA 1.0 . 4.34 1168 955 A 84 ILE H A 84 ILE HD1% 1.0 . 3.90 1169 956 A 48 ILE HD1% A 54 TRP HD1 1.0 . 4.03 1170 957 A 82 LEU HG A 78 ILE HG2% 1.0 . 4.37 1171 958 A 18 ILE HG2% A 18 ILE HG1x 1.0 . 3.61 1172 959 A 18 ILE HG2% A 18 ILE HG1y 1.0 . 3.61 1173 960 A 84 ILE HG2% A 84 ILE HG1x 1.0 . 3.61 1174 961 A 48 ILE HG2% A 48 ILE HG1x 1.0 . 3.28 1175 962 A 18 ILE HA A 18 ILE HG2% 1.0 . 3.17 1176 963 A 48 ILE HG2% A 48 ILE HA 1.0 . 3.55 1177 964 A 84 ILE HG2% A 84 ILE HA 1.0 . 3.49 1178 965 A 84 ILE HG2% A 82 LEU HBx 1.0 . 3.22 1179 966 A 55 ILE HG2% A 57 MET HE% 1.0 . 3.96 1180 967 A 57 MET HE% A 55 ILE HD1% 1.0 . 4.17 1181 968 A 57 MET HE% A 57 MET HGx 1.0 . 4.02 1182 968 A 57 MET HGy A 57 MET HE% 1.0 . 4.02 1183 969 A 42 ALA HB% A 45 VAL HB 1.0 . 5.00 1184 970 A 42 ALA HB% A 25 GLU HBy 1.0 . 4.10 1185 971 A 55 ILE HG2% A 32 ASP HBx 1.0 . 3.70 1186 972 A 55 ILE HA A 55 ILE HG2% 1.0 . 3.35 1187 973 A 97 ALA HB% A 95 ASP HA 1.0 . 4.28 1188 974 A 96 ALA HB% A 95 ASP HA 1.0 . 5.50 1189 975 A 42 ALA HB% A 26 SER HA 1.0 . 4.20 1190 976 A 55 ILE HG2% A 55 ILE H 1.0 . 4.05 1191 977 A 65 ALA HB% A 62 LYS HA 1.0 . 3.15 1192 978 A 57 MET HA A 65 ALA HB% 1.0 . 3.08 1193 979 A 29 VAL H A 29 VAL HGy% 1.0 . 3.91 1194 980 A 45 VAL HGy% A 42 ALA HA 1.0 . 4.73 1195 981 A 27 ALA HB% A 21 SER HA 1.0 . 5.50 1196 982 A 45 VAL HGy% A 45 VAL H 1.0 . 3.73 1197 983 A 28 TRP HD1 A 82 LEU HDx% 1.0 . 3.72 1198 984 A 28 TRP HD1 A 82 LEU HDy% 1.0 . 4.33 1199 985 A 27 ALA HB% A 40 ILE HG1x 1.0 . 3.86 1200 986 A 48 ILE HG2% A 48 ILE HG1y 1.0 . 3.28 1201 987 A 79 ASN HA A 84 ILE HG1y 1.0 . 3.32 1202 988 A 18 ILE H A 18 ILE HG1x 1.0 . 4.08 1203 989 A 62 LYS HA A 62 LYS HDx 1.0 . 3.88 1204 989 A 62 LYS HDy A 62 LYS HA 1.0 . 3.88 1205 990 A 98 LYS HDx A 98 LYS HGy 1.0 . 2.62 1206 990 A 98 LYS HDy A 98 LYS HGy 1.0 . 2.62 1207 991 A 88 GLU HGy A 88 GLU HBx 1.0 . 2.83 1208 991 A 88 GLU HBx A 88 GLU HGx 1.0 . 2.83 1209 992 A 80 GLU HA A 80 GLU HBx 1.0 . 2.81 1210 992 A 80 GLU HBy A 80 GLU HA 1.0 . 2.81 1211 993 A 25 GLU H A 25 GLU HBy 1.0 . 4.02 1212 994 A 98 LYS HA A 98 LYS HDx 1.0 . 3.75 1213 994 A 98 LYS HDy A 98 LYS HA 1.0 . 3.75 1214 995 A 66 ASP HA A 56 CYS HBx 1.0 . 4.20 1215 996 A 65 ALA HA A 56 CYS HBx 1.0 . 5.02 1216 997 A 42 ALA HB% A 25 GLU HBx 1.0 . 4.10 1217 998 A 44 VAL HB A 44 VAL H 1.0 . 2.89 1218 999 A 55 ILE HG1y A 57 MET HBx 1.0 . 4.79 1219 999 A 55 ILE HG1x A 57 MET HBx 1.0 . 4.79 1220 999 A 57 MET HBy A 55 ILE HG1x 1.0 . 4.79 1221 999 A 57 MET HBy A 55 ILE HG1y 1.0 . 4.79 1222 1000 A 86 GLN HGy A 86 GLN HBx 1.0 . 2.95 1223 1000 A 86 GLN HBx A 86 GLN HGx 1.0 . 2.95 1224 1001 A 86 GLN HGy A 86 GLN HBy 1.0 . 2.95 1225 1001 A 86 GLN HBy A 86 GLN HGx 1.0 . 2.95 1226 1002 A 30 ARG HA A 38 ARG HBx 1.0 . 4.31 1227 1002 A 30 ARG HA A 38 ARG HBy 1.0 . 4.31 1228 1003 A 78 ILE HD1% A 86 GLN HGx 1.0 . 5.19 1229 1003 A 86 GLN HGy A 78 ILE HD1% 1.0 . 5.19 1230 1004 A 86 GLN HA A 86 GLN HGx 1.0 . 3.03 1231 1004 A 86 GLN HGy A 86 GLN HA 1.0 . 3.03 1232 1005 A 30 ARG H A 29 VAL HB 1.0 . 4.01 1233 1006 A 49 ASP HA A 49 ASP HBx 1.0 . 2.96 1234 1006 A 49 ASP HBy A 49 ASP HA 1.0 . 2.96 1235 1007 A 84 ILE H A 82 LEU HBy 1.0 . 5.50 1236 1008 A 53 ARG HBx A 53 ARG HDy 1.0 . 3.52 1237 1008 A 53 ARG HBy A 53 ARG HDy 1.0 . 3.52 1238 1009 A 56 CYS HA A 54 TRP HH2 1.0 . 3.59 1239 1010 A 19 GLU HA A 19 GLU HGx 1.0 . 3.78 1240 1010 A 19 GLU HA A 19 GLU HGy 1.0 . 3.78 1241 1011 A 88 GLU HA A 88 GLU HGx 1.0 . 3.94 1242 1011 A 88 GLU HGy A 88 GLU HA 1.0 . 3.94 1243 1012 A 48 ILE HB A 45 VAL HA 1.0 . 5.34 1244 1013 A 78 ILE HD1% A 28 TRP HH2 1.0 . 3.56 1245 1014 A 40 ILE HD1% A 54 TRP HD1 1.0 . 4.73 1246 1015 A 76 GLU H A 76 GLU HBx 1.0 . 3.62 1247 1016 A 26 SER HBx A 39 ARG HGx 1.0 . 3.79 1248 1016 A 26 SER HBy A 39 ARG HGx 1.0 . 3.79 1249 1017 A 39 ARG HA A 39 ARG HGx 1.0 . 4.23 1250 1018 A 39 ARG HA A 39 ARG HGy 1.0 . 4.23 1251 1019 A 55 ILE HG2% A 54 TRP HA 1.0 . 4.26 1252 1020 A 55 ILE HG2% A 32 ASP HA 1.0 . 4.38 1253 1021 A 40 ILE HG2% A 59 ASN HA 1.0 . 4.03 1254 1022 A 77 GLU HA A 80 GLU HBx 1.0 . 4.17 1255 1022 A 80 GLU HBy A 77 GLU HA 1.0 . 4.17 1256 1023 A 79 ASN HA A 84 ILE HG1x 1.0 . 3.19 1257 1024 A 27 ALA HB% A 42 ALA HA 1.0 . 3.60 1258 1025 A 27 ALA HB% A 45 VAL HB 1.0 . 3.11 1259 1026 A 64 PHE HA A 69 LYS HGx 1.0 . 3.37 1260 1026 A 69 LYS HGy A 64 PHE HA 1.0 . 3.37 1261 1027 A 14 VAL H A 13 VAL HB 1.0 . 2.76 1262 1028 A 71 GLN H A 71 GLN HBy 1.0 . 3.25 1263 1029 A 3 ARG HDy A 3 ARG HBy 1.0 . 3.42 1264 1029 A 3 ARG HBy A 3 ARG HDx 1.0 . 3.42 1265 1030 A 30 ARG HA A 31 CYS HBy 1.0 . 5.23 1266 1031 A 36 LYS HA A 31 CYS HBy 1.0 . 5.50 1267 1032 A 66 ASP HA A 56 CYS HBy 1.0 . 5.15 1268 1033 A 56 CYS H A 56 CYS HBy 1.0 . 3.76 1269 1034 A 86 GLN H A 86 GLN HBx 1.0 . 3.68 1270 1035 A 50 GLU H A 50 GLU HBy 1.0 . 3.82 1271 1036 A 54 TRP HZ3 A 56 CYS HA 1.0 . 3.94 1272 1037 A 64 PHE HD% A 72 GLU HA 1.0 . 4.35 1273 1038 A 67 CYS H A 66 ASP HBx 1.0 . 4.26 1274 1039 A 59 ASN HBy A 65 ALA HA 1.0 . 4.68 1275 1040 A 59 ASN HBy A 54 TRP HZ2 1.0 . 3.93 1276 1041 A 73 MET HE% A 28 TRP HH2 1.0 . 3.65 1277 1042 A 73 MET HE% A 28 TRP HZ2 1.0 . 3.51 1278 1043 A 78 ILE H A 73 MET HE% 1.0 . 5.47 1279 1044 A 80 GLU H A 73 MET HE% 1.0 . 5.50 1280 1045 A 73 MET HE% A 78 ILE HA 1.0 . 3.71 1281 1046 A 73 MET HE% A 71 GLN HGx 1.0 . 5.50 1282 1046 A 71 GLN HGy A 73 MET HE% 1.0 . 5.50 1283 1047 A 78 ILE HD1% A 73 MET HE% 1.0 . 4.12 1284 1048 A 73 MET HE% A 78 ILE HG1x 1.0 . 3.17 1285 1049 A 73 MET HA A 73 MET HE% 1.0 . 4.52 1286 1050 A 71 GLN HE2x A 73 MET HE% 1.0 . 5.50 1287 1051 A 73 MET HE% A 78 ILE HG1y 1.0 . 3.17 1288 1052 A 57 MET HE% A 58 ASN HD2x 1.0 . 4.57 1289 1053 A 57 MET HE% A 58 ASN HD2y 1.0 . 5.50 1290 1054 A 57 MET HE% A 66 ASP HBy 1.0 . 4.82 1291 1055 A 73 MET HE% A 39 ARG HDx 1.0 . 4.75 1292 1055 A 39 ARG HDy A 73 MET HE% 1.0 . 4.75 1293 1056 A 73 MET HE% A 73 MET HBy 1.0 . 3.09 1294 1057 A 27 ALA HB% A 40 ILE HD1% 1.0 . 3.58 1295 1058 A 15 ASP H A 15 ASP HBx 1.0 . 3.95 1296 1059 A 32 ASP HA A 32 ASP HBx 1.0 . 2.99 1297 1060 A 55 ILE HG2% A 33 ASP HBy 1.0 . 3.56 1298 1061 A 87 ASP H A 87 ASP HBx 1.0 . 3.62 1299 1062 A 12 MET HGy A 13 VAL HGx% 1.0 . 3.84 1300 1062 A 12 MET HGx A 13 VAL HGx% 1.0 . 3.84 1301 1062 A 13 VAL HGy% A 12 MET HGx 1.0 . 3.84 1302 1062 A 13 VAL HGy% A 12 MET HGy 1.0 . 3.84 1303 1063 A 80 GLU H A 80 GLU HGy 1.0 . 3.58 1304 1064 A 19 GLU H A 19 GLU HGx 1.0 . 3.14 1305 1064 A 19 GLU H A 19 GLU HGy 1.0 . 3.14 1306 1065 A 25 GLU H A 25 GLU HGx 1.0 . 4.51 1307 1066 A 81 GLU H A 80 GLU HGx 1.0 . 4.27 1308 1067 A 73 MET HE% A 73 MET HBx 1.0 . 2.91 1309 1068 A 12 MET HE% A 12 MET HGx 1.0 . 3.42 1310 1068 A 12 MET HGy A 12 MET HE% 1.0 . 3.42 1311 1069 A 72 GLU HA A 72 GLU HGy 1.0 . 3.69 1312 1070 A 77 GLU HA A 80 GLU HGy 1.0 . 4.53 1313 1071 A 77 GLU HA A 80 GLU HGx 1.0 . 4.53 1314 1072 A 64 PHE HD% A 72 GLU HGy 1.0 . 3.64 1315 1073 A 64 PHE HD% A 72 GLU HGx 1.0 . 3.64 1316 1074 A 78 ILE HD1% A 78 ILE HA 1.0 . 3.95 1317 1075 A 78 ILE HD1% A 71 GLN HE2y 1.0 . 3.71 1318 1076 A 78 ILE H A 78 ILE HD1% 1.0 . 3.54 1319 1077 A 78 ILE HD1% A 37 TRP H 1.0 . 3.96 1320 1078 A 40 ILE HD1% A 40 ILE H 1.0 . 3.86 1321 1079 A 54 TRP HE1 A 48 ILE HD1% 1.0 . 3.81 1322 1080 A 82 LEU HDx% A 28 TRP HBx 1.0 . 4.53 1323 1081 A 84 ILE H A 84 ILE HG2% 1.0 . 3.15 1324 1082 A 84 ILE HG1y A 82 LEU HBx 1.0 . 3.96 1325 1083 A 40 ILE HD1% A 41 PRO HDx 1.0 . 4.02 1326 1084 A 40 ILE HD1% A 54 TRP HZ2 1.0 . 4.81 1327 1085 A 40 ILE HD1% A 42 ALA HA 1.0 . 5.06 1328 1086 A 40 ILE HD1% A 41 PRO HDy 1.0 . 5.50 1329 1087 A 27 ALA HB% A 40 ILE HG2% 1.0 . 4.97 1330 1088 A 40 ILE HD1% A 44 VAL HGy% 1.0 . 3.69 1331 1089 A 40 ILE HD1% A 44 VAL HGx% 1.0 . 3.69 1332 1090 A 48 ILE HG2% A 54 TRP HD1 1.0 . 3.44 1333 1091 A 51 SER HA A 50 GLU HGx 1.0 . 4.44 1334 1091 A 50 GLU HGy A 51 SER HA 1.0 . 4.44 1335 1092 A 27 ALA HB% A 28 TRP HBx 1.0 . 5.50 1336 1093 A 27 ALA HB% A 45 VAL HGx% 1.0 . 3.40 1337 1094 A 42 ALA HB% A 45 VAL HGx% 1.0 . 3.83 1338 1095 A 45 VAL HGx% A 43 SER HA 1.0 . 4.56 1339 1096 A 3 ARG HBx A 3 ARG HGx 1.0 . 2.31 1340 1096 A 3 ARG HBy A 3 ARG HGx 1.0 . 2.31 1341 1096 A 3 ARG HGy A 3 ARG HBx 1.0 . 2.31 1342 1096 A 3 ARG HGy A 3 ARG HBy 1.0 . 2.31 1343 1097 A 3 ARG HBx A 3 ARG HDx 1.0 . 2.85 1344 1097 A 3 ARG HDy A 3 ARG HBx 1.0 . 2.85 1345 1097 A 3 ARG HDy A 3 ARG HBy 1.0 . 2.85 1346 1097 A 3 ARG HBy A 3 ARG HDx 1.0 . 2.85 1347 1098 A 4 ARG H A 3 ARG HBx 1.0 . 4.06 1348 1098 A 4 ARG H A 3 ARG HBy 1.0 . 4.06 1349 1099 A 4 ARG HBx A 4 ARG HDx 1.0 . 3.19 1350 1099 A 4 ARG HBy A 4 ARG HDx 1.0 . 3.19 1351 1099 A 4 ARG HDy A 4 ARG HBy 1.0 . 3.19 1352 1099 A 4 ARG HBx A 4 ARG HDy 1.0 . 3.19 1353 1100 A 4 ARG H A 4 ARG HGy 1.0 . 4.85 1354 1100 A 4 ARG H A 4 ARG HGx 1.0 . 4.85 1355 1101 A 5 ALA H A 4 ARG HGy 1.0 . 4.53 1356 1101 A 5 ALA H A 4 ARG HGx 1.0 . 4.53 1357 1102 A 7 VAL HGx% A 8 GLY HAy 1.0 . 3.75 1358 1102 A 8 GLY HAx A 7 VAL HGx% 1.0 . 3.75 1359 1102 A 7 VAL HGy% A 8 GLY HAx 1.0 . 3.75 1360 1102 A 7 VAL HGy% A 8 GLY HAy 1.0 . 3.75 1361 1103 A 9 SER H A 9 SER HBx 1.0 . 3.25 1362 1103 A 9 SER H A 9 SER HBy 1.0 . 3.25 1363 1104 A 10 GLU H A 9 SER HBx 1.0 . 3.80 1364 1104 A 10 GLU H A 9 SER HBy 1.0 . 3.80 1365 1105 A 10 GLU H A 10 GLU HBx 1.0 . 3.33 1366 1105 A 10 GLU H A 10 GLU HBy 1.0 . 3.33 1367 1106 A 10 GLU H A 10 GLU HGy 1.0 . 4.26 1368 1106 A 10 GLU H A 10 GLU HGx 1.0 . 4.26 1369 1107 A 10 GLU HA A 10 GLU HGy 1.0 . 3.41 1370 1107 A 10 GLU HA A 10 GLU HGx 1.0 . 3.41 1371 1108 A 10 GLU HBx A 10 GLU HGy 1.0 . 2.16 1372 1108 A 10 GLU HBy A 10 GLU HGy 1.0 . 2.16 1373 1108 A 10 GLU HGx A 10 GLU HBx 1.0 . 2.16 1374 1108 A 10 GLU HBy A 10 GLU HGx 1.0 . 2.16 1375 1109 A 11 PHE H A 10 GLU HBx 1.0 . 3.62 1376 1109 A 11 PHE H A 10 GLU HBy 1.0 . 3.62 1377 1110 A 11 PHE H A 10 GLU HGy 1.0 . 3.49 1378 1110 A 11 PHE H A 10 GLU HGx 1.0 . 3.49 1379 1111 A 11 PHE H A 11 PHE HBy 1.0 . 3.14 1380 1111 A 11 PHE H A 11 PHE HBx 1.0 . 3.14 1381 1112 A 14 VAL H A 14 VAL HGy% 1.0 . 3.26 1382 1112 A 14 VAL H A 14 VAL HGx% 1.0 . 3.26 1383 1113 A 15 ASP H A 14 VAL HGy% 1.0 . 4.14 1384 1113 A 15 ASP H A 14 VAL HGx% 1.0 . 4.14 1385 1114 A 15 ASP H A 15 ASP HBy 1.0 . 3.19 1386 1114 A 15 ASP H A 15 ASP HBx 1.0 . 3.19 1387 1115 A 16 VAL H A 15 ASP HBy 1.0 . 3.33 1388 1115 A 16 VAL H A 15 ASP HBx 1.0 . 3.33 1389 1116 A 17 THR H A 15 ASP HBy 1.0 . 4.25 1390 1116 A 17 THR H A 15 ASP HBx 1.0 . 4.25 1391 1117 A 17 THR HG2% A 15 ASP HBy 1.0 . 5.34 1392 1117 A 17 THR HG2% A 15 ASP HBx 1.0 . 5.34 1393 1118 A 18 ILE H A 18 ILE HG1x 1.0 . 3.46 1394 1118 A 18 ILE H A 18 ILE HG1y 1.0 . 3.46 1395 1119 A 18 ILE HG2% A 18 ILE HG1x 1.0 . 2.99 1396 1119 A 18 ILE HG2% A 18 ILE HG1y 1.0 . 2.99 1397 1120 A 19 GLU H A 18 ILE HG1x 1.0 . 4.95 1398 1120 A 19 GLU H A 18 ILE HG1y 1.0 . 4.95 1399 1121 A 18 ILE HA A 18 ILE HG1x 1.0 . 3.63 1400 1121 A 18 ILE HA A 18 ILE HG1y 1.0 . 3.63 1401 1122 A 18 ILE HB A 19 GLU HBx 1.0 . 5.05 1402 1122 A 18 ILE HB A 19 GLU HBy 1.0 . 5.05 1403 1123 A 19 GLU H A 19 GLU HBx 1.0 . 3.50 1404 1123 A 19 GLU H A 19 GLU HBy 1.0 . 3.50 1405 1124 A 19 GLU HA A 19 GLU HBx 1.0 . 2.59 1406 1124 A 19 GLU HA A 19 GLU HBy 1.0 . 2.59 1407 1125 A 20 ASP H A 19 GLU HBx 1.0 . 3.85 1408 1125 A 20 ASP H A 19 GLU HBy 1.0 . 3.85 1409 1126 A 19 GLU HBx A 19 GLU HGx 1.0 . 2.44 1410 1126 A 19 GLU HBy A 19 GLU HGx 1.0 . 2.44 1411 1126 A 19 GLU HGy A 19 GLU HBx 1.0 . 2.44 1412 1126 A 19 GLU HGy A 19 GLU HBy 1.0 . 2.44 1413 1127 A 22 TYR H A 22 TYR HBy 1.0 . 3.30 1414 1127 A 22 TYR H A 22 TYR HBx 1.0 . 3.30 1415 1128 A 23 SER H A 22 TYR HBy 1.0 . 2.98 1416 1128 A 23 SER H A 22 TYR HBx 1.0 . 2.98 1417 1129 A 23 SER H A 23 SER HBx 1.0 . 3.52 1418 1129 A 23 SER H A 23 SER HBy 1.0 . 3.52 1419 1130 A 24 THR H A 23 SER HBx 1.0 . 3.45 1420 1130 A 24 THR H A 23 SER HBy 1.0 . 3.45 1421 1131 A 24 THR H A 25 GLU HBy 1.0 . 5.10 1422 1131 A 24 THR H A 25 GLU HBx 1.0 . 5.10 1423 1132 A 25 GLU H A 25 GLU HBy 1.0 . 2.93 1424 1132 A 25 GLU H A 25 GLU HBx 1.0 . 2.93 1425 1133 A 25 GLU H A 25 GLU HGx 1.0 . 3.90 1426 1133 A 25 GLU H A 25 GLU HGy 1.0 . 3.90 1427 1134 A 26 SER H A 25 GLU HBy 1.0 . 3.34 1428 1134 A 26 SER H A 25 GLU HBx 1.0 . 3.34 1429 1135 A 42 ALA HB% A 25 GLU HBy 1.0 . 3.56 1430 1135 A 42 ALA HB% A 25 GLU HBx 1.0 . 3.56 1431 1136 A 26 SER H A 25 GLU HGx 1.0 . 3.89 1432 1136 A 26 SER H A 25 GLU HGy 1.0 . 3.89 1433 1137 A 25 GLU HBx A 25 GLU HGx 1.0 . 2.29 1434 1137 A 25 GLU HBy A 25 GLU HGx 1.0 . 2.29 1435 1137 A 25 GLU HGy A 25 GLU HBy 1.0 . 2.29 1436 1137 A 25 GLU HBx A 25 GLU HGy 1.0 . 2.29 1437 1138 A 26 SER HBx A 39 ARG HBx 1.0 . 5.21 1438 1138 A 26 SER HBy A 39 ARG HBx 1.0 . 5.21 1439 1138 A 39 ARG HBy A 26 SER HBx 1.0 . 5.21 1440 1138 A 26 SER HBy A 39 ARG HBy 1.0 . 5.21 1441 1139 A 27 ALA HB% A 29 VAL HGy% 1.0 . 4.45 1442 1139 A 27 ALA HB% A 29 VAL HGx% 1.0 . 4.45 1443 1140 A 27 ALA HB% A 28 TRP HBy 1.0 . 5.34 1444 1140 A 27 ALA HB% A 28 TRP HBx 1.0 . 5.34 1445 1141 A 28 TRP H A 28 TRP HBy 1.0 . 3.57 1446 1141 A 28 TRP H A 28 TRP HBx 1.0 . 3.57 1447 1142 A 28 TRP H A 29 VAL HGy% 1.0 . 5.44 1448 1142 A 28 TRP H A 29 VAL HGx% 1.0 . 5.44 1449 1143 A 28 TRP HE1 A 28 TRP HBy 1.0 . 4.52 1450 1143 A 28 TRP HE1 A 28 TRP HBx 1.0 . 4.52 1451 1144 A 29 VAL H A 28 TRP HBy 1.0 . 3.81 1452 1144 A 29 VAL H A 28 TRP HBx 1.0 . 3.81 1453 1145 A 37 TRP HZ3 A 28 TRP HBy 1.0 . 5.07 1454 1145 A 37 TRP HZ3 A 28 TRP HBx 1.0 . 5.07 1455 1146 A 38 ARG H A 28 TRP HBy 1.0 . 4.96 1456 1146 A 38 ARG H A 28 TRP HBx 1.0 . 4.96 1457 1147 A 82 LEU HDx% A 28 TRP HBy 1.0 . 5.34 1458 1147 A 82 LEU HDx% A 28 TRP HBx 1.0 . 5.34 1459 1148 A 82 LEU HDy% A 28 TRP HBy 1.0 . 4.80 1460 1148 A 82 LEU HDy% A 28 TRP HBx 1.0 . 4.80 1461 1149 A 28 TRP HE1 A 39 ARG HGx 1.0 . 4.52 1462 1149 A 28 TRP HE1 A 39 ARG HGy 1.0 . 4.52 1463 1150 A 29 VAL H A 29 VAL HGy% 1.0 . 3.10 1464 1150 A 29 VAL H A 29 VAL HGx% 1.0 . 3.10 1465 1151 A 30 ARG H A 29 VAL HGy% 1.0 . 3.43 1466 1151 A 30 ARG H A 29 VAL HGx% 1.0 . 3.43 1467 1152 A 38 ARG H A 29 VAL HGy% 1.0 . 3.78 1468 1152 A 38 ARG H A 29 VAL HGx% 1.0 . 3.78 1469 1153 A 40 ILE HG2% A 29 VAL HGy% 1.0 . 3.17 1470 1153 A 40 ILE HG2% A 29 VAL HGx% 1.0 . 3.17 1471 1154 A 40 ILE HG1y A 29 VAL HGy% 1.0 . 4.37 1472 1154 A 40 ILE HG1y A 29 VAL HGx% 1.0 . 4.37 1473 1155 A 40 ILE HD1% A 29 VAL HGy% 1.0 . 3.28 1474 1155 A 40 ILE HD1% A 29 VAL HGx% 1.0 . 3.28 1475 1156 A 48 ILE HD1% A 29 VAL HGy% 1.0 . 3.36 1476 1156 A 48 ILE HD1% A 29 VAL HGx% 1.0 . 3.36 1477 1157 A 29 VAL HGy% A 54 TRP HBx 1.0 . 4.51 1478 1157 A 29 VAL HGx% A 54 TRP HBx 1.0 . 4.51 1479 1157 A 54 TRP HBy A 29 VAL HGy% 1.0 . 4.51 1480 1157 A 29 VAL HGx% A 54 TRP HBy 1.0 . 4.51 1481 1158 A 54 TRP HD1 A 29 VAL HGy% 1.0 . 4.45 1482 1158 A 54 TRP HD1 A 29 VAL HGx% 1.0 . 4.45 1483 1159 A 54 TRP HE3 A 29 VAL HGy% 1.0 . 4.64 1484 1159 A 54 TRP HE3 A 29 VAL HGx% 1.0 . 4.64 1485 1160 A 54 TRP HE1 A 29 VAL HGy% 1.0 . 4.05 1486 1160 A 54 TRP HE1 A 29 VAL HGx% 1.0 . 4.05 1487 1161 A 45 VAL HGy% A 29 VAL HGy% 1.0 . 3.98 1488 1161 A 45 VAL HGy% A 29 VAL HGx% 1.0 . 3.98 1489 1162 A 48 ILE HG2% A 29 VAL HGy% 1.0 . 5.24 1490 1162 A 48 ILE HG2% A 29 VAL HGx% 1.0 . 5.24 1491 1163 A 29 VAL HGx% A 48 ILE HG1y 1.0 . 5.28 1492 1163 A 29 VAL HGy% A 48 ILE HG1y 1.0 . 5.28 1493 1163 A 48 ILE HG1x A 29 VAL HGy% 1.0 . 5.28 1494 1163 A 29 VAL HGx% A 48 ILE HG1x 1.0 . 5.28 1495 1164 A 29 VAL HGx% A 54 TRP HBy 1.0 . 5.44 1496 1164 A 54 TRP HBy A 29 VAL HGy% 1.0 . 5.44 1497 1165 A 59 ASN HBy A 29 VAL HGy% 1.0 . 5.44 1498 1165 A 59 ASN HBy A 29 VAL HGx% 1.0 . 5.44 1499 1166 A 30 ARG HBy A 30 ARG HDx 1.0 . 2.91 1500 1166 A 30 ARG HBx A 30 ARG HDx 1.0 . 2.91 1501 1166 A 30 ARG HDy A 30 ARG HBx 1.0 . 2.91 1502 1166 A 30 ARG HDy A 30 ARG HBy 1.0 . 2.91 1503 1167 A 30 ARG HE A 30 ARG HBx 1.0 . 3.39 1504 1167 A 30 ARG HE A 30 ARG HBy 1.0 . 3.39 1505 1168 A 31 CYS H A 30 ARG HBx 1.0 . 3.72 1506 1168 A 31 CYS H A 30 ARG HBy 1.0 . 3.72 1507 1169 A 30 ARG HA A 31 CYS HBy 1.0 . 4.69 1508 1169 A 30 ARG HA A 31 CYS HBx 1.0 . 4.69 1509 1170 A 30 ARG HGy A 31 CYS HBy 1.0 . 5.34 1510 1170 A 30 ARG HGy A 31 CYS HBx 1.0 . 5.34 1511 1171 A 31 CYS H A 31 CYS HBy 1.0 . 3.34 1512 1171 A 31 CYS H A 31 CYS HBx 1.0 . 3.34 1513 1172 A 32 ASP H A 31 CYS HBy 1.0 . 3.79 1514 1172 A 32 ASP H A 31 CYS HBx 1.0 . 3.79 1515 1173 A 33 ASP H A 31 CYS HBy 1.0 . 4.38 1516 1173 A 33 ASP H A 31 CYS HBx 1.0 . 4.38 1517 1174 A 34 CYS H A 31 CYS HBy 1.0 . 4.03 1518 1174 A 34 CYS H A 31 CYS HBx 1.0 . 4.03 1519 1175 A 35 PHE H A 31 CYS HBy 1.0 . 3.86 1520 1175 A 35 PHE H A 31 CYS HBx 1.0 . 3.86 1521 1176 A 56 CYS H A 31 CYS HBy 1.0 . 4.49 1522 1176 A 56 CYS H A 31 CYS HBx 1.0 . 4.49 1523 1177 A 32 ASP H A 32 ASP HBy 1.0 . 3.26 1524 1177 A 32 ASP H A 32 ASP HBx 1.0 . 3.26 1525 1178 A 54 TRP H A 32 ASP HBy 1.0 . 3.31 1526 1178 A 54 TRP H A 32 ASP HBx 1.0 . 3.31 1527 1179 A 55 ILE HG2% A 32 ASP HBy 1.0 . 4.05 1528 1179 A 55 ILE HG2% A 32 ASP HBx 1.0 . 4.05 1529 1180 A 33 ASP H A 33 ASP HBy 1.0 . 2.83 1530 1180 A 33 ASP H A 33 ASP HBx 1.0 . 2.83 1531 1181 A 34 CYS H A 33 ASP HBy 1.0 . 3.26 1532 1181 A 34 CYS H A 33 ASP HBx 1.0 . 3.26 1533 1182 A 35 PHE H A 33 ASP HBy 1.0 . 4.52 1534 1182 A 35 PHE H A 33 ASP HBx 1.0 . 4.52 1535 1183 A 55 ILE HG2% A 33 ASP HBy 1.0 . 3.05 1536 1183 A 55 ILE HG2% A 33 ASP HBx 1.0 . 3.05 1537 1184 A 34 CYS H A 34 CYS HBx 1.0 . 3.23 1538 1184 A 34 CYS H A 34 CYS HBy 1.0 . 3.23 1539 1185 A 34 CYS HBx A 67 CYS HBx 1.0 . 3.77 1540 1185 A 34 CYS HBy A 67 CYS HBx 1.0 . 3.77 1541 1186 A 34 CYS HBx A 67 CYS HBx 1.0 . 4.01 1542 1186 A 34 CYS HBy A 67 CYS HBx 1.0 . 4.01 1543 1186 A 67 CYS HBy A 34 CYS HBx 1.0 . 4.01 1544 1186 A 34 CYS HBy A 67 CYS HBy 1.0 . 4.01 1545 1187 A 36 LYS HGy A 71 GLN HE2x 1.0 . 4.81 1546 1187 A 71 GLN HE2y A 36 LYS HGx 1.0 . 4.81 1547 1187 A 36 LYS HGy A 71 GLN HE2y 1.0 . 4.81 1548 1187 A 71 GLN HE2x A 36 LYS HGx 1.0 . 4.81 1549 1188 A 37 TRP H A 71 GLN HE2x 1.0 . 4.67 1550 1188 A 37 TRP H A 71 GLN HE2y 1.0 . 4.67 1551 1189 A 37 TRP HA A 71 GLN HE2x 1.0 . 5.34 1552 1189 A 37 TRP HA A 71 GLN HE2y 1.0 . 5.34 1553 1190 A 86 GLN HE2y A 37 TRP HBy 1.0 . 5.34 1554 1190 A 86 GLN HE2x A 37 TRP HBy 1.0 . 5.34 1555 1191 A 37 TRP HD1 A 71 GLN HE2x 1.0 . 3.54 1556 1191 A 37 TRP HD1 A 71 GLN HE2y 1.0 . 3.54 1557 1192 A 37 TRP HE1 A 86 GLN HE2y 1.0 . 3.34 1558 1192 A 37 TRP HE1 A 86 GLN HE2x 1.0 . 3.34 1559 1193 A 37 TRP H A 37 TRP HBy 1.0 . 3.36 1560 1193 A 37 TRP H A 37 TRP HBx 1.0 . 3.36 1561 1194 A 37 TRP HE1 A 37 TRP HBy 1.0 . 4.47 1562 1194 A 37 TRP HE1 A 37 TRP HBx 1.0 . 4.47 1563 1195 A 38 ARG H A 37 TRP HBy 1.0 . 4.19 1564 1195 A 38 ARG H A 37 TRP HBx 1.0 . 4.19 1565 1196 A 38 ARG H A 71 GLN HE2x 1.0 . 5.34 1566 1196 A 38 ARG H A 71 GLN HE2y 1.0 . 5.34 1567 1197 A 38 ARG HE A 64 PHE HBy 1.0 . 3.69 1568 1197 A 38 ARG HE A 64 PHE HBx 1.0 . 3.69 1569 1198 A 38 ARG HE A 72 GLU HGy 1.0 . 3.50 1570 1198 A 38 ARG HE A 72 GLU HGx 1.0 . 3.50 1571 1199 A 38 ARG H A 72 GLU HGy 1.0 . 5.34 1572 1199 A 38 ARG H A 72 GLU HGx 1.0 . 5.34 1573 1200 A 38 ARG HA A 72 GLU HGy 1.0 . 5.04 1574 1200 A 38 ARG HA A 72 GLU HGx 1.0 . 5.04 1575 1201 A 38 ARG HBy A 72 GLU HGy 1.0 . 4.08 1576 1201 A 38 ARG HBx A 72 GLU HGy 1.0 . 4.08 1577 1201 A 72 GLU HGx A 38 ARG HBx 1.0 . 4.08 1578 1201 A 38 ARG HBy A 72 GLU HGx 1.0 . 4.08 1579 1202 A 59 ASN HD2x A 38 ARG HGx 1.0 . 5.21 1580 1202 A 59 ASN HD2y A 38 ARG HGx 1.0 . 5.21 1581 1202 A 38 ARG HGy A 59 ASN HD2x 1.0 . 5.21 1582 1202 A 38 ARG HGy A 59 ASN HD2y 1.0 . 5.21 1583 1203 A 59 ASN HD2x A 38 ARG HDx 1.0 . 5.34 1584 1203 A 59 ASN HD2y A 38 ARG HDx 1.0 . 5.34 1585 1203 A 59 ASN HD2y A 38 ARG HDy 1.0 . 5.34 1586 1203 A 59 ASN HD2x A 38 ARG HDy 1.0 . 5.34 1587 1204 A 38 ARG HE A 59 ASN HD2y 1.0 . 4.00 1588 1204 A 59 ASN HD2x A 38 ARG HE 1.0 . 4.00 1589 1205 A 39 ARG HA A 39 ARG HGx 1.0 . 3.42 1590 1205 A 39 ARG HA A 39 ARG HGy 1.0 . 3.42 1591 1206 A 39 ARG HE A 39 ARG HBx 1.0 . 4.15 1592 1206 A 39 ARG HE A 39 ARG HBy 1.0 . 4.15 1593 1207 A 39 ARG HE A 39 ARG HGx 1.0 . 3.11 1594 1207 A 39 ARG HE A 39 ARG HGy 1.0 . 3.11 1595 1208 A 39 ARG H A 39 ARG HGx 1.0 . 4.39 1596 1208 A 39 ARG H A 39 ARG HGy 1.0 . 4.39 1597 1209 A 39 ARG HBx A 39 ARG HDx 1.0 . 3.27 1598 1209 A 39 ARG HBy A 39 ARG HDx 1.0 . 3.27 1599 1209 A 39 ARG HDy A 39 ARG HBx 1.0 . 3.27 1600 1209 A 39 ARG HDy A 39 ARG HBy 1.0 . 3.27 1601 1210 A 39 ARG HGy A 81 GLU HGx 1.0 . 5.34 1602 1210 A 39 ARG HGx A 81 GLU HGx 1.0 . 5.34 1603 1210 A 81 GLU HGy A 39 ARG HGx 1.0 . 5.34 1604 1210 A 81 GLU HGy A 39 ARG HGy 1.0 . 5.34 1605 1211 A 40 ILE HB A 44 VAL HGy% 1.0 . 3.13 1606 1211 A 40 ILE HB A 44 VAL HGx% 1.0 . 3.13 1607 1212 A 40 ILE HD1% A 44 VAL HGy% 1.0 . 3.21 1608 1212 A 40 ILE HD1% A 44 VAL HGx% 1.0 . 3.21 1609 1213 A 40 ILE HD1% A 48 ILE HG1y 1.0 . 4.57 1610 1213 A 40 ILE HD1% A 48 ILE HG1x 1.0 . 4.57 1611 1214 A 41 PRO HGx A 44 VAL HGy% 1.0 . 3.64 1612 1214 A 41 PRO HGx A 44 VAL HGx% 1.0 . 3.64 1613 1215 A 41 PRO HGy A 44 VAL HGy% 1.0 . 3.85 1614 1215 A 44 VAL HGx% A 41 PRO HGy 1.0 . 3.85 1615 1216 A 41 PRO HDx A 44 VAL HGy% 1.0 . 3.63 1616 1216 A 41 PRO HDx A 44 VAL HGx% 1.0 . 3.63 1617 1217 A 41 PRO HDy A 44 VAL HGy% 1.0 . 3.70 1618 1217 A 41 PRO HDy A 44 VAL HGx% 1.0 . 3.70 1619 1218 A 43 SER H A 43 SER HBx 1.0 . 3.28 1620 1218 A 43 SER H A 43 SER HBy 1.0 . 3.28 1621 1219 A 43 SER H A 44 VAL HGy% 1.0 . 5.12 1622 1219 A 43 SER H A 44 VAL HGx% 1.0 . 5.12 1623 1220 A 44 VAL H A 43 SER HBx 1.0 . 3.50 1624 1220 A 44 VAL H A 43 SER HBy 1.0 . 3.50 1625 1221 A 44 VAL H A 44 VAL HGy% 1.0 . 2.95 1626 1221 A 44 VAL H A 44 VAL HGx% 1.0 . 2.95 1627 1222 A 45 VAL H A 44 VAL HGy% 1.0 . 3.02 1628 1222 A 45 VAL H A 44 VAL HGx% 1.0 . 3.02 1629 1223 A 45 VAL HA A 44 VAL HGy% 1.0 . 5.30 1630 1223 A 45 VAL HA A 44 VAL HGx% 1.0 . 5.30 1631 1224 A 45 VAL HGy% A 44 VAL HGy% 1.0 . 4.07 1632 1224 A 45 VAL HGy% A 44 VAL HGx% 1.0 . 4.07 1633 1225 A 54 TRP HE1 A 44 VAL HGy% 1.0 . 4.41 1634 1225 A 54 TRP HE1 A 44 VAL HGx% 1.0 . 4.41 1635 1226 A 45 VAL HGy% A 46 GLY HAx 1.0 . 5.12 1636 1226 A 45 VAL HGy% A 46 GLY HAy 1.0 . 5.12 1637 1227 A 45 VAL H A 48 ILE HG1y 1.0 . 4.64 1638 1227 A 45 VAL H A 48 ILE HG1x 1.0 . 4.64 1639 1228 A 46 GLY H A 48 ILE HG1y 1.0 . 5.12 1640 1228 A 46 GLY H A 48 ILE HG1x 1.0 . 5.12 1641 1229 A 47 SER H A 46 GLY HAx 1.0 . 3.00 1642 1229 A 47 SER H A 46 GLY HAy 1.0 . 3.00 1643 1230 A 47 SER H A 48 ILE HG1y 1.0 . 4.22 1644 1230 A 47 SER H A 48 ILE HG1x 1.0 . 4.22 1645 1231 A 48 ILE H A 48 ILE HG1y 1.0 . 2.91 1646 1231 A 48 ILE H A 48 ILE HG1x 1.0 . 2.91 1647 1232 A 48 ILE HA A 48 ILE HG1y 1.0 . 3.74 1648 1232 A 48 ILE HA A 48 ILE HG1x 1.0 . 3.74 1649 1233 A 48 ILE HG2% A 48 ILE HG1y 1.0 . 2.75 1650 1233 A 48 ILE HG2% A 48 ILE HG1x 1.0 . 2.75 1651 1234 A 49 ASP H A 48 ILE HG1y 1.0 . 3.63 1652 1234 A 49 ASP H A 48 ILE HG1x 1.0 . 3.63 1653 1235 A 54 TRP HE1 A 48 ILE HG1y 1.0 . 4.39 1654 1235 A 54 TRP HE1 A 48 ILE HG1x 1.0 . 4.39 1655 1236 A 50 GLU H A 50 GLU HBy 1.0 . 3.07 1656 1236 A 50 GLU H A 50 GLU HBx 1.0 . 3.07 1657 1237 A 50 GLU H A 51 SER HBy 1.0 . 4.81 1658 1237 A 50 GLU H A 51 SER HBx 1.0 . 4.81 1659 1238 A 51 SER H A 50 GLU HBy 1.0 . 4.30 1660 1238 A 51 SER H A 50 GLU HBx 1.0 . 4.30 1661 1239 A 51 SER H A 51 SER HBy 1.0 . 3.03 1662 1239 A 51 SER H A 51 SER HBx 1.0 . 3.03 1663 1240 A 53 ARG H A 51 SER HBy 1.0 . 4.25 1664 1240 A 53 ARG H A 51 SER HBx 1.0 . 4.25 1665 1241 A 52 SER H A 51 SER HBy 1.0 . 3.46 1666 1241 A 52 SER H A 51 SER HBx 1.0 . 3.46 1667 1242 A 53 ARG H A 54 TRP HBx 1.0 . 5.34 1668 1242 A 53 ARG H A 54 TRP HBy 1.0 . 5.34 1669 1243 A 53 ARG HBx A 53 ARG HDy 1.0 . 2.89 1670 1243 A 53 ARG HBy A 53 ARG HDy 1.0 . 2.89 1671 1243 A 53 ARG HDx A 53 ARG HBx 1.0 . 2.89 1672 1243 A 53 ARG HBy A 53 ARG HDx 1.0 . 2.89 1673 1244 A 54 TRP H A 54 TRP HBx 1.0 . 3.05 1674 1244 A 54 TRP H A 54 TRP HBy 1.0 . 3.05 1675 1245 A 54 TRP HE3 A 54 TRP HBx 1.0 . 3.66 1676 1245 A 54 TRP HE3 A 54 TRP HBy 1.0 . 3.66 1677 1246 A 54 TRP HZ2 A 59 ASN HD2y 1.0 . 4.84 1678 1246 A 54 TRP HZ2 A 59 ASN HD2x 1.0 . 4.84 1679 1247 A 56 CYS H A 56 CYS HBy 1.0 . 3.34 1680 1247 A 56 CYS H A 56 CYS HBx 1.0 . 3.34 1681 1248 A 57 MET H A 56 CYS HBy 1.0 . 3.60 1682 1248 A 57 MET H A 56 CYS HBx 1.0 . 3.60 1683 1249 A 65 ALA HA A 56 CYS HBy 1.0 . 5.34 1684 1249 A 65 ALA HA A 56 CYS HBx 1.0 . 5.34 1685 1250 A 66 ASP H A 56 CYS HBy 1.0 . 3.38 1686 1250 A 66 ASP H A 56 CYS HBx 1.0 . 3.38 1687 1251 A 66 ASP HA A 56 CYS HBy 1.0 . 4.58 1688 1251 A 66 ASP HA A 56 CYS HBx 1.0 . 4.58 1689 1252 A 57 MET HE% A 66 ASP HBy 1.0 . 4.63 1690 1252 A 57 MET HE% A 66 ASP HBx 1.0 . 4.63 1691 1253 A 59 ASN HD2y A 64 PHE HBy 1.0 . 2.88 1692 1253 A 59 ASN HD2y A 64 PHE HBx 1.0 . 2.88 1693 1254 A 59 ASN HD2y A 72 GLU HGy 1.0 . 5.34 1694 1254 A 59 ASN HD2y A 72 GLU HGx 1.0 . 5.34 1695 1255 A 59 ASN HD2x A 64 PHE HBy 1.0 . 3.53 1696 1255 A 59 ASN HD2x A 64 PHE HBx 1.0 . 3.53 1697 1256 A 61 ASP H A 59 ASN HD2y 1.0 . 3.48 1698 1256 A 61 ASP H A 59 ASN HD2x 1.0 . 3.48 1699 1257 A 59 ASN HD2x A 61 ASP HBy 1.0 . 3.52 1700 1257 A 59 ASN HD2y A 61 ASP HBx 1.0 . 3.52 1701 1257 A 59 ASN HD2x A 61 ASP HBx 1.0 . 3.52 1702 1257 A 59 ASN HD2y A 61 ASP HBy 1.0 . 3.52 1703 1258 A 64 PHE H A 59 ASN HD2y 1.0 . 5.19 1704 1258 A 64 PHE H A 59 ASN HD2x 1.0 . 5.19 1705 1259 A 59 ASN HD2x A 64 PHE HBy 1.0 . 3.01 1706 1259 A 59 ASN HD2y A 64 PHE HBx 1.0 . 3.01 1707 1259 A 59 ASN HD2x A 64 PHE HBx 1.0 . 3.01 1708 1259 A 59 ASN HD2y A 64 PHE HBy 1.0 . 3.01 1709 1260 A 59 ASN HD2y A 72 GLU HGx 1.0 . 5.18 1710 1260 A 59 ASN HD2y A 72 GLU HGy 1.0 . 5.18 1711 1260 A 59 ASN HD2x A 72 GLU HGx 1.0 . 5.18 1712 1260 A 59 ASN HD2x A 72 GLU HGy 1.0 . 5.18 1713 1261 A 60 SER H A 60 SER HBy 1.0 . 3.23 1714 1261 A 60 SER H A 60 SER HBx 1.0 . 3.23 1715 1262 A 61 ASP H A 60 SER HBy 1.0 . 3.41 1716 1262 A 61 ASP H A 60 SER HBx 1.0 . 3.41 1717 1263 A 60 SER H A 61 ASP HBy 1.0 . 4.89 1718 1263 A 60 SER H A 61 ASP HBx 1.0 . 4.89 1719 1264 A 62 LYS H A 61 ASP HBy 1.0 . 3.65 1720 1264 A 62 LYS H A 61 ASP HBx 1.0 . 3.65 1721 1265 A 64 PHE H A 61 ASP HBy 1.0 . 5.18 1722 1265 A 64 PHE H A 61 ASP HBx 1.0 . 5.18 1723 1266 A 62 LYS H A 62 LYS HBy 1.0 . 3.25 1724 1266 A 62 LYS H A 62 LYS HBx 1.0 . 3.25 1725 1267 A 62 LYS HA A 62 LYS HBy 1.0 . 2.65 1726 1267 A 62 LYS HA A 62 LYS HBx 1.0 . 2.65 1727 1268 A 62 LYS HBy A 62 LYS HDx 1.0 . 3.66 1728 1268 A 62 LYS HBx A 62 LYS HDx 1.0 . 3.66 1729 1268 A 62 LYS HDy A 62 LYS HBy 1.0 . 3.66 1730 1268 A 62 LYS HDy A 62 LYS HBx 1.0 . 3.66 1731 1269 A 63 ARG H A 62 LYS HBy 1.0 . 4.06 1732 1269 A 63 ARG H A 62 LYS HBx 1.0 . 4.06 1733 1270 A 62 LYS HBy A 63 ARG HDx 1.0 . 4.37 1734 1270 A 62 LYS HBx A 63 ARG HDx 1.0 . 4.37 1735 1270 A 63 ARG HDy A 62 LYS HBy 1.0 . 4.37 1736 1270 A 63 ARG HDy A 62 LYS HBx 1.0 . 4.37 1737 1271 A 62 LYS HEy A 63 ARG HBy 1.0 . 5.34 1738 1271 A 63 ARG HBx A 62 LYS HEx 1.0 . 5.34 1739 1271 A 62 LYS HEy A 63 ARG HBx 1.0 . 5.34 1740 1271 A 62 LYS HEx A 63 ARG HBy 1.0 . 5.34 1741 1272 A 63 ARG H A 63 ARG HBy 1.0 . 2.72 1742 1272 A 63 ARG H A 63 ARG HBx 1.0 . 2.72 1743 1273 A 63 ARG H A 63 ARG HGx 1.0 . 5.28 1744 1273 A 63 ARG H A 63 ARG HGy 1.0 . 5.28 1745 1274 A 63 ARG HA A 63 ARG HGx 1.0 . 3.56 1746 1274 A 63 ARG HGy A 63 ARG HA 1.0 . 3.56 1747 1275 A 64 PHE HD% A 63 ARG HBy 1.0 . 3.68 1748 1275 A 64 PHE HD% A 63 ARG HBx 1.0 . 3.68 1749 1276 A 64 PHE HE% A 63 ARG HBy 1.0 . 4.07 1750 1276 A 64 PHE HE% A 63 ARG HBx 1.0 . 4.07 1751 1277 A 64 PHE HA A 69 LYS HBy 1.0 . 3.70 1752 1277 A 64 PHE HA A 69 LYS HBx 1.0 . 3.70 1753 1278 A 64 PHE HD% A 72 GLU HGy 1.0 . 3.01 1754 1278 A 64 PHE HD% A 72 GLU HGx 1.0 . 3.01 1755 1279 A 64 PHE H A 64 PHE HBy 1.0 . 3.65 1756 1279 A 64 PHE H A 64 PHE HBx 1.0 . 3.65 1757 1280 A 65 ALA H A 64 PHE HBy 1.0 . 3.80 1758 1280 A 65 ALA H A 64 PHE HBx 1.0 . 3.80 1759 1281 A 65 ALA H A 69 LYS HBy 1.0 . 5.07 1760 1281 A 65 ALA H A 69 LYS HBx 1.0 . 5.07 1761 1282 A 66 ASP H A 66 ASP HBy 1.0 . 3.64 1762 1282 A 66 ASP H A 66 ASP HBx 1.0 . 3.64 1763 1283 A 66 ASP H A 69 LYS HBy 1.0 . 3.76 1764 1283 A 66 ASP H A 69 LYS HBx 1.0 . 3.76 1765 1284 A 67 CYS H A 66 ASP HBy 1.0 . 3.35 1766 1284 A 67 CYS H A 66 ASP HBx 1.0 . 3.35 1767 1285 A 69 LYS H A 66 ASP HBy 1.0 . 4.16 1768 1285 A 69 LYS H A 66 ASP HBx 1.0 . 4.16 1769 1286 A 66 ASP HBy A 69 LYS HGx 1.0 . 3.82 1770 1286 A 66 ASP HBx A 69 LYS HGx 1.0 . 3.82 1771 1286 A 69 LYS HGy A 66 ASP HBy 1.0 . 3.82 1772 1286 A 69 LYS HGy A 66 ASP HBx 1.0 . 3.82 1773 1287 A 67 CYS H A 67 CYS HBx 1.0 . 3.25 1774 1287 A 67 CYS H A 67 CYS HBy 1.0 . 3.25 1775 1288 A 68 SER H A 68 SER HBx 1.0 . 3.07 1776 1288 A 68 SER H A 68 SER HBy 1.0 . 3.07 1777 1289 A 69 LYS H A 68 SER HBx 1.0 . 3.59 1778 1289 A 69 LYS H A 68 SER HBy 1.0 . 3.59 1779 1290 A 69 LYS H A 69 LYS HBy 1.0 . 3.02 1780 1290 A 69 LYS H A 69 LYS HBx 1.0 . 3.02 1781 1291 A 71 GLN H A 70 SER HBx 1.0 . 3.01 1782 1291 A 71 GLN H A 70 SER HBy 1.0 . 3.01 1783 1292 A 71 GLN H A 71 GLN HBx 1.0 . 2.75 1784 1292 A 71 GLN H A 71 GLN HBy 1.0 . 2.75 1785 1293 A 71 GLN HE2x A 71 GLN HBy 1.0 . 4.48 1786 1293 A 71 GLN HE2y A 71 GLN HBx 1.0 . 4.48 1787 1293 A 71 GLN HE2x A 71 GLN HBx 1.0 . 4.48 1788 1293 A 71 GLN HE2y A 71 GLN HBy 1.0 . 4.48 1789 1294 A 71 GLN HGy A 71 GLN HE2x 1.0 . 2.97 1790 1294 A 71 GLN HE2x A 71 GLN HGx 1.0 . 2.97 1791 1294 A 71 GLN HGy A 71 GLN HE2y 1.0 . 2.97 1792 1294 A 71 GLN HE2y A 71 GLN HGx 1.0 . 2.97 1793 1295 A 71 GLN HE2x A 72 GLU HBx 1.0 . 5.34 1794 1295 A 72 GLU HBy A 71 GLN HE2x 1.0 . 5.34 1795 1295 A 72 GLU HBy A 71 GLN HE2y 1.0 . 5.34 1796 1295 A 71 GLN HE2y A 72 GLU HBx 1.0 . 5.34 1797 1296 A 73 MET H A 71 GLN HE2x 1.0 . 4.19 1798 1296 A 73 MET H A 71 GLN HE2y 1.0 . 4.19 1799 1297 A 71 GLN HE2x A 73 MET HBy 1.0 . 5.34 1800 1297 A 71 GLN HE2y A 73 MET HBy 1.0 . 5.34 1801 1298 A 71 GLN HE2x A 73 MET HE% 1.0 . 5.34 1802 1298 A 71 GLN HE2y A 73 MET HE% 1.0 . 5.34 1803 1299 A 71 GLN HE2x A 74 SER HA 1.0 . 4.52 1804 1299 A 74 SER HA A 71 GLN HE2y 1.0 . 4.52 1805 1300 A 71 GLN HE2x A 75 ASN H 1.0 . 4.35 1806 1300 A 75 ASN H A 71 GLN HE2y 1.0 . 4.35 1807 1301 A 75 ASN HA A 71 GLN HE2x 1.0 . 3.93 1808 1301 A 75 ASN HA A 71 GLN HE2y 1.0 . 3.93 1809 1302 A 75 ASN HBy A 71 GLN HE2x 1.0 . 4.84 1810 1302 A 71 GLN HE2y A 75 ASN HBx 1.0 . 4.84 1811 1302 A 75 ASN HBy A 71 GLN HE2y 1.0 . 4.84 1812 1302 A 71 GLN HE2x A 75 ASN HBx 1.0 . 4.84 1813 1303 A 71 GLN HE2x A 78 ILE HG1y 1.0 . 4.86 1814 1303 A 71 GLN HE2x A 78 ILE HG1x 1.0 . 4.86 1815 1303 A 71 GLN HE2y A 78 ILE HG1y 1.0 . 4.86 1816 1303 A 71 GLN HE2y A 78 ILE HG1x 1.0 . 4.86 1817 1304 A 78 ILE HD1% A 71 GLN HE2x 1.0 . 3.17 1818 1304 A 78 ILE HD1% A 71 GLN HE2y 1.0 . 3.17 1819 1305 A 71 GLN HE2y A 86 GLN HE2x 1.0 . 5.17 1820 1305 A 71 GLN HE2x A 86 GLN HE2x 1.0 . 5.17 1821 1305 A 71 GLN HE2x A 86 GLN HE2y 1.0 . 5.17 1822 1305 A 71 GLN HE2y A 86 GLN HE2y 1.0 . 5.17 1823 1306 A 71 GLN HE2y A 71 GLN HBx 1.0 . 4.40 1824 1306 A 71 GLN HE2y A 71 GLN HBy 1.0 . 4.40 1825 1307 A 72 GLU H A 71 GLN HBx 1.0 . 4.06 1826 1307 A 72 GLU H A 71 GLN HBy 1.0 . 4.06 1827 1308 A 72 GLU HA A 71 GLN HBx 1.0 . 5.34 1828 1308 A 72 GLU HA A 71 GLN HBy 1.0 . 5.34 1829 1309 A 71 GLN HE2x A 78 ILE HG1x 1.0 . 4.46 1830 1309 A 71 GLN HE2x A 78 ILE HG1y 1.0 . 4.46 1831 1310 A 71 GLN HE2y A 86 GLN HE2y 1.0 . 5.34 1832 1310 A 71 GLN HE2y A 86 GLN HE2x 1.0 . 5.34 1833 1311 A 72 GLU H A 72 GLU HGy 1.0 . 3.83 1834 1311 A 72 GLU H A 72 GLU HGx 1.0 . 3.83 1835 1312 A 72 GLU HA A 72 GLU HGy 1.0 . 2.93 1836 1312 A 72 GLU HA A 72 GLU HGx 1.0 . 2.93 1837 1313 A 73 MET HA A 73 MET HGx 1.0 . 3.11 1838 1313 A 73 MET HA A 73 MET HGy 1.0 . 3.11 1839 1314 A 78 ILE HG1y A 73 MET HBy 1.0 . 3.75 1840 1314 A 73 MET HBy A 78 ILE HG1x 1.0 . 3.75 1841 1315 A 73 MET HE% A 73 MET HGx 1.0 . 2.64 1842 1315 A 73 MET HE% A 73 MET HGy 1.0 . 2.64 1843 1316 A 74 SER H A 73 MET HGx 1.0 . 4.65 1844 1316 A 74 SER H A 73 MET HGy 1.0 . 4.65 1845 1317 A 73 MET H A 73 MET HBy 1.0 . 3.67 1846 1317 A 73 MET H A 73 MET HBx 1.0 . 3.67 1847 1318 A 73 MET H A 73 MET HGx 1.0 . 3.81 1848 1318 A 73 MET H A 73 MET HGy 1.0 . 3.81 1849 1319 A 73 MET HE% A 73 MET HBy 1.0 . 3.11 1850 1319 A 73 MET HE% A 73 MET HBx 1.0 . 3.11 1851 1320 A 74 SER H A 73 MET HBy 1.0 . 3.84 1852 1320 A 74 SER H A 73 MET HBx 1.0 . 3.84 1853 1321 A 78 ILE H A 73 MET HBy 1.0 . 3.80 1854 1321 A 78 ILE H A 73 MET HBx 1.0 . 3.80 1855 1322 A 73 MET HBx A 78 ILE HG1x 1.0 . 4.26 1856 1322 A 73 MET HBy A 78 ILE HG1x 1.0 . 4.26 1857 1322 A 78 ILE HG1y A 73 MET HBy 1.0 . 4.26 1858 1322 A 78 ILE HG1y A 73 MET HBx 1.0 . 4.26 1859 1323 A 73 MET HE% A 78 ILE HG1x 1.0 . 3.17 1860 1323 A 73 MET HE% A 78 ILE HG1y 1.0 . 3.17 1861 1324 A 74 SER H A 74 SER HBx 1.0 . 3.21 1862 1324 A 74 SER H A 74 SER HBy 1.0 . 3.21 1863 1325 A 74 SER H A 76 GLU HGy 1.0 . 5.18 1864 1325 A 74 SER H A 76 GLU HGx 1.0 . 5.18 1865 1326 A 75 ASN H A 74 SER HBx 1.0 . 3.28 1866 1326 A 75 ASN H A 74 SER HBy 1.0 . 3.28 1867 1327 A 77 GLU H A 74 SER HBx 1.0 . 3.12 1868 1327 A 77 GLU H A 74 SER HBy 1.0 . 3.12 1869 1328 A 76 GLU H A 74 SER HBx 1.0 . 5.34 1870 1328 A 76 GLU H A 74 SER HBy 1.0 . 5.34 1871 1329 A 76 GLU H A 76 GLU HBx 1.0 . 2.99 1872 1329 A 76 GLU H A 76 GLU HBy 1.0 . 2.99 1873 1330 A 76 GLU HA A 76 GLU HGy 1.0 . 3.55 1874 1330 A 76 GLU HA A 76 GLU HGx 1.0 . 3.55 1875 1331 A 76 GLU HA A 79 ASN HD2y 1.0 . 3.72 1876 1331 A 76 GLU HA A 79 ASN HD2x 1.0 . 3.72 1877 1332 A 77 GLU H A 76 GLU HBx 1.0 . 3.63 1878 1332 A 77 GLU H A 76 GLU HBy 1.0 . 3.63 1879 1333 A 77 GLU H A 76 GLU HGy 1.0 . 3.50 1880 1333 A 77 GLU H A 76 GLU HGx 1.0 . 3.50 1881 1334 A 78 ILE H A 76 GLU HGy 1.0 . 4.81 1882 1334 A 78 ILE H A 76 GLU HGx 1.0 . 4.81 1883 1335 A 76 GLU H A 76 GLU HGy 1.0 . 3.61 1884 1335 A 76 GLU H A 76 GLU HGx 1.0 . 3.61 1885 1336 A 77 GLU HA A 76 GLU HGy 1.0 . 4.51 1886 1336 A 77 GLU HA A 76 GLU HGx 1.0 . 4.51 1887 1337 A 78 ILE H A 78 ILE HG1x 1.0 . 2.92 1888 1337 A 78 ILE H A 78 ILE HG1y 1.0 . 2.92 1889 1338 A 78 ILE HA A 78 ILE HG1x 1.0 . 3.65 1890 1338 A 78 ILE HA A 78 ILE HG1y 1.0 . 3.65 1891 1339 A 86 GLN HE2y A 78 ILE HG1x 1.0 . 4.76 1892 1339 A 86 GLN HE2x A 78 ILE HG1x 1.0 . 4.76 1893 1339 A 86 GLN HE2x A 78 ILE HG1y 1.0 . 4.76 1894 1339 A 86 GLN HE2y A 78 ILE HG1y 1.0 . 4.76 1895 1340 A 78 ILE HD1% A 86 GLN HE2y 1.0 . 4.97 1896 1340 A 78 ILE HD1% A 86 GLN HE2x 1.0 . 4.97 1897 1341 A 78 ILE H A 86 GLN HE2y 1.0 . 5.34 1898 1341 A 78 ILE H A 86 GLN HE2x 1.0 . 5.34 1899 1342 A 79 ASN H A 78 ILE HG1x 1.0 . 4.22 1900 1342 A 79 ASN H A 78 ILE HG1y 1.0 . 4.22 1901 1343 A 82 LEU HDx% A 78 ILE HG1x 1.0 . 5.00 1902 1343 A 82 LEU HDx% A 78 ILE HG1y 1.0 . 5.00 1903 1344 A 79 ASN H A 80 GLU HGx 1.0 . 4.88 1904 1344 A 79 ASN H A 80 GLU HGy 1.0 . 4.88 1905 1345 A 80 GLU H A 79 ASN HD2y 1.0 . 3.97 1906 1345 A 80 GLU H A 79 ASN HD2x 1.0 . 3.97 1907 1346 A 79 ASN H A 79 ASN HD2y 1.0 . 3.48 1908 1346 A 79 ASN H A 79 ASN HD2x 1.0 . 3.48 1909 1347 A 79 ASN HA A 84 ILE HG1x 1.0 . 3.39 1910 1347 A 79 ASN HA A 84 ILE HG1y 1.0 . 3.39 1911 1348 A 80 GLU H A 80 GLU HGx 1.0 . 2.98 1912 1348 A 80 GLU H A 80 GLU HGy 1.0 . 2.98 1913 1349 A 80 GLU HA A 80 GLU HGx 1.0 . 3.60 1914 1349 A 80 GLU HA A 80 GLU HGy 1.0 . 3.60 1915 1350 A 81 GLU H A 80 GLU HGx 1.0 . 3.35 1916 1350 A 81 GLU H A 80 GLU HGy 1.0 . 3.35 1917 1351 A 81 GLU HA A 80 GLU HGx 1.0 . 4.34 1918 1351 A 81 GLU HA A 80 GLU HGy 1.0 . 4.34 1919 1352 A 82 LEU HDx% A 83 GLY HAx 1.0 . 5.34 1920 1352 A 82 LEU HDx% A 83 GLY HAy 1.0 . 5.34 1921 1353 A 82 LEU H A 82 LEU HBx 1.0 . 3.31 1922 1353 A 82 LEU H A 82 LEU HBy 1.0 . 3.31 1923 1354 A 82 LEU H A 83 GLY HAx 1.0 . 4.81 1924 1354 A 82 LEU H A 83 GLY HAy 1.0 . 4.81 1925 1355 A 82 LEU H A 84 ILE HG1x 1.0 . 4.56 1926 1355 A 82 LEU H A 84 ILE HG1y 1.0 . 4.56 1927 1356 A 83 GLY H A 82 LEU HBx 1.0 . 3.73 1928 1356 A 83 GLY H A 82 LEU HBy 1.0 . 3.73 1929 1357 A 84 ILE H A 82 LEU HBx 1.0 . 3.93 1930 1357 A 84 ILE H A 82 LEU HBy 1.0 . 3.93 1931 1358 A 84 ILE HB A 82 LEU HBx 1.0 . 5.03 1932 1358 A 84 ILE HB A 82 LEU HBy 1.0 . 5.03 1933 1359 A 84 ILE HG2% A 82 LEU HBx 1.0 . 3.70 1934 1359 A 84 ILE HG2% A 82 LEU HBy 1.0 . 3.70 1935 1360 A 82 LEU HBx A 84 ILE HG1x 1.0 . 4.41 1936 1360 A 82 LEU HBy A 84 ILE HG1x 1.0 . 4.41 1937 1360 A 84 ILE HG1y A 82 LEU HBx 1.0 . 4.41 1938 1360 A 84 ILE HG1y A 82 LEU HBy 1.0 . 4.41 1939 1361 A 84 ILE HD1% A 82 LEU HBx 1.0 . 5.34 1940 1361 A 84 ILE HD1% A 82 LEU HBy 1.0 . 5.34 1941 1362 A 82 LEU HDx% A 84 ILE HG1x 1.0 . 5.34 1942 1362 A 82 LEU HDx% A 84 ILE HG1y 1.0 . 5.34 1943 1363 A 82 LEU HDx% A 86 GLN HE2y 1.0 . 3.92 1944 1363 A 82 LEU HDx% A 86 GLN HE2x 1.0 . 3.92 1945 1364 A 83 GLY H A 83 GLY HAx 1.0 . 2.56 1946 1364 A 83 GLY H A 83 GLY HAy 1.0 . 2.56 1947 1365 A 84 ILE H A 83 GLY HAx 1.0 . 2.95 1948 1365 A 84 ILE H A 83 GLY HAy 1.0 . 2.95 1949 1366 A 83 GLY H A 84 ILE HG1x 1.0 . 4.95 1950 1366 A 83 GLY H A 84 ILE HG1y 1.0 . 4.95 1951 1367 A 84 ILE HB A 86 GLN HE2y 1.0 . 5.34 1952 1367 A 84 ILE HB A 86 GLN HE2x 1.0 . 5.34 1953 1368 A 86 GLN HE2y A 84 ILE HG1y 1.0 . 5.13 1954 1368 A 86 GLN HE2x A 84 ILE HG1y 1.0 . 5.13 1955 1369 A 84 ILE H A 84 ILE HG1x 1.0 . 3.30 1956 1369 A 84 ILE H A 84 ILE HG1y 1.0 . 3.30 1957 1370 A 85 GLY H A 84 ILE HG1x 1.0 . 3.27 1958 1370 A 85 GLY H A 84 ILE HG1y 1.0 . 3.27 1959 1371 A 86 GLN H A 84 ILE HG1x 1.0 . 5.34 1960 1371 A 86 GLN H A 84 ILE HG1y 1.0 . 5.34 1961 1372 A 86 GLN HE2x A 84 ILE HG1x 1.0 . 5.18 1962 1372 A 86 GLN HE2y A 84 ILE HG1x 1.0 . 5.18 1963 1372 A 86 GLN HE2y A 84 ILE HG1y 1.0 . 5.18 1964 1372 A 86 GLN HE2x A 84 ILE HG1y 1.0 . 5.18 1965 1373 A 86 GLN H A 85 GLY HAx 1.0 . 2.69 1966 1373 A 86 GLN H A 85 GLY HAy 1.0 . 2.69 1967 1374 A 86 GLN H A 86 GLN HBy 1.0 . 2.94 1968 1374 A 86 GLN H A 86 GLN HBx 1.0 . 2.94 1969 1375 A 86 GLN HBx A 86 GLN HGx 1.0 . 2.35 1970 1375 A 86 GLN HBy A 86 GLN HGx 1.0 . 2.35 1971 1375 A 86 GLN HGy A 86 GLN HBy 1.0 . 2.35 1972 1375 A 86 GLN HGy A 86 GLN HBx 1.0 . 2.35 1973 1376 A 87 ASP H A 86 GLN HBy 1.0 . 3.14 1974 1376 A 87 ASP H A 86 GLN HBx 1.0 . 3.14 1975 1377 A 86 GLN HGy A 86 GLN HE2y 1.0 . 3.08 1976 1377 A 86 GLN HE2y A 86 GLN HGx 1.0 . 3.08 1977 1377 A 86 GLN HGy A 86 GLN HE2x 1.0 . 3.08 1978 1377 A 86 GLN HE2x A 86 GLN HGx 1.0 . 3.08 1979 1378 A 86 GLN HE2y A 86 GLN HBy 1.0 . 3.85 1980 1378 A 86 GLN HE2x A 86 GLN HBy 1.0 . 3.85 1981 1378 A 86 GLN HE2y A 86 GLN HBx 1.0 . 3.85 1982 1378 A 86 GLN HE2x A 86 GLN HBx 1.0 . 3.85 1983 1379 A 87 ASP H A 87 ASP HBx 1.0 . 3.01 1984 1379 A 87 ASP H A 87 ASP HBy 1.0 . 3.01 1985 1380 A 88 GLU H A 88 GLU HBx 1.0 . 3.01 1986 1380 A 88 GLU H A 88 GLU HBy 1.0 . 3.01 1987 1381 A 88 GLU HA A 88 GLU HBx 1.0 . 2.50 1988 1381 A 88 GLU HA A 88 GLU HBy 1.0 . 2.50 1989 1382 A 90 ASP H A 90 ASP HBx 1.0 . 2.99 1990 1382 A 90 ASP H A 90 ASP HBy 1.0 . 2.99 1991 1383 A 91 ALA H A 90 ASP HBx 1.0 . 3.41 1992 1383 A 91 ALA H A 90 ASP HBy 1.0 . 3.41 1993 1384 A 92 TYR H A 90 ASP HBx 1.0 . 5.34 1994 1384 A 92 TYR H A 90 ASP HBy 1.0 . 5.34 1995 1385 A 91 ALA H A 92 TYR HBy 1.0 . 4.87 1996 1385 A 91 ALA H A 92 TYR HBx 1.0 . 4.87 1997 1386 A 92 TYR H A 92 TYR HBy 1.0 . 3.10 1998 1386 A 92 TYR H A 92 TYR HBx 1.0 . 3.10 1999 1387 A 92 TYR H A 93 ASP HBx 1.0 . 5.34 2000 1387 A 92 TYR H A 93 ASP HBy 1.0 . 5.34 2001 1388 A 93 ASP H A 92 TYR HBy 1.0 . 3.50 2002 1388 A 93 ASP H A 92 TYR HBx 1.0 . 3.50 2003 1389 A 93 ASP H A 93 ASP HBx 1.0 . 3.19 2004 1389 A 93 ASP H A 93 ASP HBy 1.0 . 3.19 2005 1390 A 94 CYS H A 93 ASP HBx 1.0 . 4.16 2006 1390 A 94 CYS H A 93 ASP HBy 1.0 . 4.16 2007 1391 A 95 ASP H A 94 CYS HBx 1.0 . 3.99 2008 1391 A 95 ASP H A 94 CYS HBy 1.0 . 3.99 2009 1392 A 96 ALA H A 94 CYS HBx 1.0 . 5.22 2010 1392 A 96 ALA H A 94 CYS HBy 1.0 . 5.22 2011 1393 A 95 ASP H A 95 ASP HBx 1.0 . 3.42 2012 1393 A 95 ASP H A 95 ASP HBy 1.0 . 3.42 2013 1394 A 96 ALA H A 95 ASP HBx 1.0 . 4.39 2014 1394 A 96 ALA H A 95 ASP HBy 1.0 . 4.39 2015 1395 A 98 LYS H A 95 ASP HBx 1.0 . 4.78 2016 1395 A 98 LYS H A 95 ASP HBy 1.0 . 4.78 2017 1396 A 98 LYS H A 98 LYS HBx 1.0 . 3.12 2018 1396 A 98 LYS H A 98 LYS HBy 1.0 . 3.12 2019 1397 A 98 LYS HA A 98 LYS HGy 1.0 . 3.60 2020 1397 A 98 LYS HA A 98 LYS HGx 1.0 . 3.60 2021 1398 A 99 ARG H A 98 LYS HGy 1.0 . 5.34 2022 1398 A 99 ARG H A 98 LYS HGx 1.0 . 5.34 2023 1399 A 98 LYS H A 98 LYS HGy 1.0 . 4.24 2024 1399 A 98 LYS H A 98 LYS HGx 1.0 . 4.24 2025 1400 A 100 GLY H A 99 ARG HBx 1.0 . 2.89 2026 1400 A 100 GLY H A 99 ARG HBy 1.0 . 2.89 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_5 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type undefined save_ save_DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_6 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type undefined save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin disulfide_bond _nef_distance_restraint_list.potential_type upper-bound-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 31 CYS SG A 34 CYS SG 1.0 . 3.85 2 2 A 31 CYS SG A 56 CYS SG 1.0 . 3.85 3 3 A 31 CYS SG A 67 CYS SG 1.0 . 3.85 4 4 A 34 CYS SG A 56 CYS SG 1.0 . 3.85 5 5 A 34 CYS SG A 67 CYS SG 1.0 . 3.85 6 6 A 56 CYS SG A 67 CYS SG 1.0 . 3.85 stop_ save_ save_DYANA/DIANA_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_7 _nef_distance_restraint_list.restraint_origin disulfide_bond _nef_distance_restraint_list.potential_type lower-bound-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 31 CYS SG A 34 CYS SG 1.0 3.65 . 2 2 A 31 CYS SG A 56 CYS SG 1.0 3.65 . 3 3 A 31 CYS SG A 67 CYS SG 1.0 3.65 . 4 4 A 34 CYS SG A 56 CYS SG 1.0 3.65 . 5 5 A 34 CYS SG A 67 CYS SG 1.0 3.65 . 6 6 A 56 CYS SG A 67 CYS SG 1.0 3.65 . stop_ save_ save_DYANA/DIANA_distance_constraints_8 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_8 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type upper-bound-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 27 ALA H A 40 ILE O 1.0 . 2.0 2 2 A 40 ILE O A 27 ALA N 1.0 . 3.0 3 3 A 29 VAL H A 38 ARG O 1.0 . 2.0 4 4 A 38 ARG O A 29 VAL N 1.0 . 3.0 5 5 A 40 ILE H A 27 ALA O 1.0 . 2.0 6 6 A 27 ALA O A 40 ILE N 1.0 . 3.0 7 7 A 38 ARG H A 29 VAL O 1.0 . 2.0 8 8 A 29 VAL O A 38 ARG N 1.0 . 3.0 9 9 A 79 ASN H A 75 ASN O 1.0 . 2.0 10 10 A 75 ASN O A 79 ASN N 1.0 . 3.0 11 11 A 80 GLU H A 76 GLU O 1.0 . 2.0 12 12 A 76 GLU O A 80 GLU N 1.0 . 3.0 13 13 A 81 GLU H A 77 GLU O 1.0 . 2.0 14 14 A 77 GLU O A 81 GLU N 1.0 . 3.0 15 15 A 82 LEU H A 78 ILE O 1.0 . 2.0 16 16 A 78 ILE O A 82 LEU N 1.0 . 3.0 17 17 A 27 ALA H A 40 ILE O 1.0 . 1.8 18 18 A 40 ILE O A 27 ALA N 1.0 . 2.7 19 19 A 29 VAL H A 38 ARG O 1.0 . 1.8 20 20 A 38 ARG O A 29 VAL N 1.0 . 2.7 21 21 A 40 ILE H A 27 ALA O 1.0 . 1.8 22 22 A 27 ALA O A 40 ILE N 1.0 . 2.7 23 23 A 38 ARG H A 29 VAL O 1.0 . 1.8 24 24 A 29 VAL O A 38 ARG N 1.0 . 2.7 25 25 A 79 ASN H A 75 ASN O 1.0 . 1.8 26 26 A 75 ASN O A 79 ASN N 1.0 . 2.7 27 27 A 80 GLU H A 76 GLU O 1.0 . 1.8 28 28 A 76 GLU O A 80 GLU N 1.0 . 2.7 29 29 A 81 GLU H A 77 GLU O 1.0 . 1.8 30 30 A 77 GLU O A 81 GLU N 1.0 . 2.7 31 31 A 82 LEU H A 78 ILE O 1.0 . 1.8 32 32 A 78 ILE O A 82 LEU N 1.0 . 2.7 stop_ save_ save_DYANA/DIANA_dihedral_10 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_10 _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 25 GLU C A 26 SER N A 26 SER CA A 26 SER C 1.0 -178.0 -54.0 PHI 2 2 A 26 SER N A 26 SER CA A 26 SER C A 27 ALA N 1.0 104.0 176.0 PSI 3 3 A 26 SER C A 27 ALA N A 27 ALA CA A 27 ALA C 1.0 -175.0 -87.0 PHI 4 4 A 27 ALA N A 27 ALA CA A 27 ALA C A 28 TRP N 1.0 124.0 172.0 PSI 5 5 A 27 ALA C A 28 TRP N A 28 TRP CA A 28 TRP C 1.0 -145.0 -65.0 PHI 6 6 A 28 TRP N A 28 TRP CA A 28 TRP C A 29 VAL N 1.0 124.0 168.0 PSI 7 7 A 28 TRP C A 29 VAL N A 29 VAL CA A 29 VAL C 1.0 -172.0 -100.0 PHI 8 8 A 29 VAL N A 29 VAL CA A 29 VAL C A 30 ARG N 1.0 112.0 168.0 PSI 9 9 A 29 VAL C A 30 ARG N A 30 ARG CA A 30 ARG C 1.0 -138.0 -78.0 PHI 10 10 A 30 ARG N A 30 ARG CA A 30 ARG C A 31 CYS N 1.0 98.0 154.0 PSI 11 11 A 36 LYS C A 37 TRP N A 37 TRP CA A 37 TRP C 1.0 -156.0 -72.0 PHI 12 12 A 37 TRP N A 37 TRP CA A 37 TRP C A 38 ARG N 1.0 108.0 176.0 PSI 13 13 A 37 TRP C A 38 ARG N A 38 ARG CA A 38 ARG C 1.0 -166.0 -106.0 PHI 14 14 A 38 ARG N A 38 ARG CA A 38 ARG C A 39 ARG N 1.0 125.0 157.0 PSI 15 15 A 38 ARG C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -117.0 -73.0 PHI 16 16 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 ILE N 1.0 107.0 147.0 PSI 17 17 A 39 ARG C A 40 ILE N A 40 ILE CA A 40 ILE C 1.0 -159.0 -63.0 PHI 18 18 A 40 ILE N A 40 ILE CA A 40 ILE C A 41 PRO N 1.0 98.0 174.0 PSI 19 19 A 41 PRO C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -77.0 -37.0 PHI 20 20 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 SER N 1.0 -64.0 -4.0 PSI 21 21 A 42 ALA C A 43 SER N A 43 SER CA A 43 SER C 1.0 -86.0 -54.0 PHI 22 22 A 43 SER N A 43 SER CA A 43 SER C A 44 VAL N 1.0 -58.0 10.0 PSI 23 23 A 43 SER C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -92.0 -44.0 PHI 24 24 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 VAL N 1.0 -67.0 -7.0 PSI 25 25 A 44 VAL C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -107.0 -31.0 PHI 26 26 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 GLY N 1.0 -59.0 -11.0 PSI 27 27 A 45 VAL C A 46 GLY N A 46 GLY CA A 46 GLY C 1.0 -115.0 -47.0 PHI 28 28 A 46 GLY N A 46 GLY CA A 46 GLY C A 47 SER N 1.0 -54.0 26.0 PSI 29 29 A 49 ASP C A 50 GLU N A 50 GLU CA A 50 GLU C 1.0 -103.0 -35.0 PHI 30 30 A 50 GLU N A 50 GLU CA A 50 GLU C A 51 SER N 1.0 -83.0 37.0 PSI 31 31 A 54 TRP C A 55 ILE N A 55 ILE CA A 55 ILE C 1.0 -155.0 -83.0 PHI 32 32 A 55 ILE N A 55 ILE CA A 55 ILE C A 56 CYS N 1.0 146.0 190.0 PSI 33 33 A 55 ILE C A 56 CYS N A 56 CYS CA A 56 CYS C 1.0 -67.0 -47.0 PHI 34 34 A 56 CYS N A 56 CYS CA A 56 CYS C A 57 MET N 1.0 -57.0 -29.0 PSI 35 35 A 56 CYS C A 57 MET N A 57 MET CA A 57 MET C 1.0 -74.0 -54.0 PHI 36 36 A 57 MET N A 57 MET CA A 57 MET C A 58 ASN N 1.0 -64.0 8.0 PSI 37 37 A 58 ASN C A 59 ASN N A 59 ASN CA A 59 ASN C 1.0 -122.0 -30.0 PHI 38 38 A 59 ASN N A 59 ASN CA A 59 ASN C A 60 SER N 1.0 101.0 161.0 PSI 39 39 A 62 LYS C A 63 ARG N A 63 ARG CA A 63 ARG C 1.0 -108.0 -44.0 PHI 40 40 A 63 ARG N A 63 ARG CA A 63 ARG C A 64 PHE N 1.0 -48.0 -12.0 PSI 41 41 A 66 ASP C A 67 CYS N A 67 CYS CA A 67 CYS C 1.0 -111.0 -23.0 PHI 42 42 A 67 CYS N A 67 CYS CA A 67 CYS C A 68 SER N 1.0 -59.0 -15.0 PSI 43 43 A 71 GLN C A 72 GLU N A 72 GLU CA A 72 GLU C 1.0 -111.0 -63.0 PHI 44 44 A 72 GLU N A 72 GLU CA A 72 GLU C A 73 MET N 1.0 -61.0 -17.0 PSI 45 45 A 72 GLU C A 73 MET N A 73 MET CA A 73 MET C 1.0 -193.0 -97.0 PHI 46 46 A 73 MET N A 73 MET CA A 73 MET C A 74 SER N 1.0 124.0 184.0 PSI 47 47 A 73 MET C A 74 SER N A 74 SER CA A 74 SER C 1.0 -130.0 -58.0 PHI 48 48 A 74 SER N A 74 SER CA A 74 SER C A 75 ASN N 1.0 127.0 171.0 PSI 49 49 A 74 SER C A 75 ASN N A 75 ASN CA A 75 ASN C 1.0 -73.0 -49.0 PHI 50 50 A 75 ASN N A 75 ASN CA A 75 ASN C A 76 GLU N 1.0 -51.0 -23.0 PSI 51 51 A 75 ASN C A 76 GLU N A 76 GLU CA A 76 GLU C 1.0 -74.0 -54.0 PHI 52 52 A 76 GLU N A 76 GLU CA A 76 GLU C A 77 GLU N 1.0 -57.0 -25.0 PSI 53 53 A 76 GLU C A 77 GLU N A 77 GLU CA A 77 GLU C 1.0 -82.0 -54.0 PHI 54 54 A 77 GLU N A 77 GLU CA A 77 GLU C A 78 ILE N 1.0 -55.0 -27.0 PSI 55 55 A 77 GLU C A 78 ILE N A 78 ILE CA A 78 ILE C 1.0 -75.0 -55.0 PHI 56 56 A 78 ILE N A 78 ILE CA A 78 ILE C A 79 ASN N 1.0 -58.0 -26.0 PSI 57 57 A 78 ILE C A 79 ASN N A 79 ASN CA A 79 ASN C 1.0 -77.0 -49.0 PHI 58 58 A 79 ASN N A 79 ASN CA A 79 ASN C A 80 GLU N 1.0 -62.0 -14.0 PSI 59 59 A 79 ASN C A 80 GLU N A 80 GLU CA A 80 GLU C 1.0 -76.0 -52.0 PHI 60 60 A 80 GLU N A 80 GLU CA A 80 GLU C A 81 GLU N 1.0 -49.0 -29.0 PSI 61 61 A 80 GLU C A 81 GLU N A 81 GLU CA A 81 GLU C 1.0 -78.0 -54.0 PHI 62 62 A 81 GLU N A 81 GLU CA A 81 GLU C A 82 LEU N 1.0 -52.0 -16.0 PSI 63 63 A 81 GLU C A 82 LEU N A 82 LEU CA A 82 LEU C 1.0 -112.0 -68.0 PHI 64 64 A 82 LEU N A 82 LEU CA A 82 LEU C A 83 GLY N 1.0 -29.0 19.0 PSI 65 65 A 82 LEU C A 83 GLY N A 83 GLY CA A 83 GLY C 1.0 64.0 104.0 PHI 66 66 A 83 GLY N A 83 GLY CA A 83 GLY C A 84 ILE N 1.0 -32.0 48.0 PSI 67 67 A 87 ASP C A 88 GLU N A 88 GLU CA A 88 GLU C 1.0 -87.0 -47.0 PHI 68 68 A 88 GLU N A 88 GLU CA A 88 GLU C A 89 ALA N 1.0 -61.0 -13.0 PSI 69 69 A 95 ASP C A 96 ALA N A 96 ALA CA A 96 ALA C 1.0 -95.0 -43.0 PHI 70 70 A 96 ALA N A 96 ALA CA A 96 ALA C A 97 ALA N 1.0 -85.0 15.0 PSI 71 71 A 96 ALA C A 97 ALA N A 97 ALA CA A 97 ALA C 1.0 -133.0 -25.0 PHI 72 72 A 97 ALA N A 97 ALA CA A 97 ALA C A 98 LYS N 1.0 -69.0 23.0 PSI stop_ save_