data_nef_c17319_2l6p save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 MET middle . . 3 A 3 ARG middle . . 4 A 4 ILE middle . . 5 A 5 PRO middle . false 6 A 6 SER middle . . 7 A 7 ALA middle . . 8 A 8 ILE middle . . 9 A 9 GLN middle . . 10 A 10 LEU middle . . 11 A 11 HIS middle . . 12 A 12 LYS middle . . 13 A 13 ALA middle . . 14 A 14 SER middle . . 15 A 15 LYS middle . . 16 A 16 THR middle . . 17 A 17 LEU middle . . 18 A 18 THR middle . . 19 A 19 LEU middle . . 20 A 20 ARG middle . . 21 A 21 TYR middle . . 22 A 22 GLY middle . false 23 A 23 GLU middle . . 24 A 24 ASP middle . . 25 A 25 SER middle . . 26 A 26 TYR middle . . 27 A 27 ASP middle . . 28 A 28 LEU middle . . 29 A 29 PRO middle . false 30 A 30 ALA middle . . 31 A 31 GLU middle . . 32 A 32 PHE middle . . 33 A 33 LEU middle . . 34 A 34 ARG middle . . 35 A 35 VAL middle . . 36 A 36 HIS middle . . 37 A 37 SER middle . . 38 A 38 PRO middle . false 39 A 39 SER middle . . 40 A 40 ALA middle . . 41 A 41 GLU middle . . 42 A 42 VAL middle . . 43 A 43 GLN middle . . 44 A 44 GLY middle . false 45 A 45 HIS middle . . 46 A 46 GLY middle . false 47 A 47 ASN middle . . 48 A 48 PRO middle . false 49 A 49 VAL middle . . 50 A 50 LEU middle . . 51 A 51 GLN middle . . 52 A 52 TYR middle . . 53 A 53 GLY middle . false 54 A 54 LYS middle . . 55 A 55 LEU middle . . 56 A 56 ASN middle . . 57 A 57 VAL middle . . 58 A 58 GLY middle . false 59 A 59 LEU middle . . 60 A 60 VAL middle . . 61 A 61 GLY middle . false 62 A 62 VAL middle . . 63 A 63 GLU middle . . 64 A 64 PRO middle . false 65 A 65 ALA middle . . 66 A 66 GLY middle . false 67 A 67 GLN middle . . 68 A 68 TYR middle . . 69 A 69 ALA middle . . 70 A 70 LEU middle . . 71 A 71 LYS middle . . 72 A 72 LEU middle . . 73 A 73 SER middle . . 74 A 74 PHE middle . . 75 A 75 ASP middle . . 76 A 76 ASP middle . . 77 A 77 GLY middle . false 78 A 78 HIS middle . . 79 A 79 ASP middle . . 80 A 80 SER middle . . 81 A 81 GLY middle . false 82 A 82 LEU middle . . 83 A 83 PHE middle . . 84 A 84 THR middle . . 85 A 85 TRP middle . . 86 A 86 ASP middle . . 87 A 87 TYR middle . . 88 A 88 LEU middle . . 89 A 89 TYR middle . . 90 A 90 GLU middle . . 91 A 91 LEU middle . . 92 A 92 ALA middle . . 93 A 93 THR middle . . 94 A 94 ARG middle . . 95 A 95 LYS middle . . 96 A 96 ASP middle . . 97 A 97 GLN middle . . 98 A 98 LEU middle . . 99 A 99 TRP middle . . 100 A 100 ALA middle . . 101 A 101 ASP middle . . 102 A 102 TYR middle . . 103 A 103 LEU middle . . 104 A 104 ALA middle . . 105 A 105 GLU middle . . 106 A 106 LEU middle . . 107 A 107 ALA middle . . 108 A 108 SER middle . . 109 A 109 ALA middle . . 110 A 110 GLY middle . false 111 A 111 LYS middle . . 112 A 112 SER middle . . 113 A 113 ARG middle . . 114 A 114 ASP middle . . 115 A 115 PRO middle . false 116 A 116 ASP middle . . 117 A 117 GLU middle . . 118 A 118 SER middle . . 119 A 119 VAL middle . . 120 A 120 VAL middle . . 121 A 121 LYS middle . . 122 A 122 LEU middle . . 123 A 123 MET middle . . 124 A 124 LEU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 MET HA H 1 4.401 0.024 A 2 MET HBx H 1 1.956 0.024 A 2 MET HBy H 1 1.956 0.024 A 2 MET HE% H 1 2.096 0.024 A 2 MET HGx H 1 2.581 0.024 A 2 MET HGy H 1 2.631 0.024 A 2 MET C C 13 175.690 0.15 A 2 MET CA C 13 55.803 0.15 A 2 MET CB C 13 34.003 0.15 A 2 MET CE C 13 17.483 0.15 A 2 MET CG C 13 32.333 0.15 A 3 ARG H H 1 8.581 0.024 A 3 ARG HA H 1 4.176 0.024 A 3 ARG HBx H 1 1.341 0.024 A 3 ARG HBy H 1 1.341 0.024 A 3 ARG HDy H 1 2.442 0.024 A 3 ARG HDx H 1 2.291 0.024 A 3 ARG HE H 1 6.759 0.024 A 3 ARG HGx H 1 1.007 0.024 A 3 ARG HGy H 1 1.007 0.024 A 3 ARG CA C 13 54.800 0.15 A 3 ARG CB C 13 29.924 0.15 A 3 ARG CD C 13 43.097 0.15 A 3 ARG CG C 13 26.584 0.15 A 3 ARG N N 15 124.124 0.12 A 3 ARG NE N 15 84.589 0.12 A 4 ILE H H 1 7.906 0.024 A 4 ILE HA H 1 3.652 0.024 A 4 ILE HB H 1 1.270 0.024 A 4 ILE HD1% H 1 0.434 0.024 A 4 ILE HG1y H 1 0.969 0.024 A 4 ILE HG1x H 1 0.071 0.024 A 4 ILE HG2% H 1 0.076 0.024 A 4 ILE CA C 13 58.241 0.15 A 4 ILE CB C 13 39.235 0.15 A 4 ILE CD1 C 13 12.463 0.15 A 4 ILE CG1 C 13 27.157 0.15 A 4 ILE CG2 C 13 15.580 0.15 A 4 ILE N N 15 126.819 0.12 A 5 PRO HA H 1 3.788 0.024 A 5 PRO HBx H 1 1.377 0.024 A 5 PRO HBy H 1 1.407 0.024 A 5 PRO HDx H 1 2.540 0.024 A 5 PRO HDy H 1 3.606 0.024 A 5 PRO HGy H 1 1.694 0.024 A 5 PRO HGx H 1 1.599 0.024 A 5 PRO C C 13 176.336 0.15 A 5 PRO CA C 13 63.454 0.15 A 5 PRO CB C 13 31.919 0.15 A 5 PRO CD C 13 51.758 0.15 A 5 PRO CG C 13 27.435 0.15 A 6 SER H H 1 9.063 0.024 A 6 SER HA H 1 4.131 0.024 A 6 SER HBx H 1 3.636 0.024 A 6 SER HBy H 1 3.827 0.024 A 6 SER C C 13 174.785 0.15 A 6 SER CA C 13 59.429 0.15 A 6 SER CB C 13 63.278 0.15 A 6 SER N N 15 118.662 0.12 A 7 ALA H H 1 7.432 0.024 A 7 ALA HA H 1 4.354 0.024 A 7 ALA HB% H 1 1.171 0.024 A 7 ALA C C 13 174.606 0.15 A 7 ALA CA C 13 52.439 0.15 A 7 ALA CB C 13 22.301 0.15 A 7 ALA N N 15 120.264 0.12 A 8 ILE H H 1 8.214 0.024 A 8 ILE HA H 1 4.536 0.024 A 8 ILE HB H 1 1.567 0.024 A 8 ILE HD1% H 1 0.844 0.024 A 8 ILE HG1y H 1 1.327 0.024 A 8 ILE HG1x H 1 0.780 0.024 A 8 ILE HG2% H 1 0.663 0.024 A 8 ILE C C 13 175.220 0.15 A 8 ILE CA C 13 60.663 0.15 A 8 ILE CB C 13 41.414 0.15 A 8 ILE CD1 C 13 15.085 0.15 A 8 ILE CG1 C 13 27.407 0.15 A 8 ILE CG2 C 13 18.057 0.15 A 8 ILE N N 15 120.308 0.12 A 9 GLN H H 1 8.886 0.024 A 9 GLN HA H 1 4.495 0.024 A 9 GLN HBy H 1 1.736 0.024 A 9 GLN HBx H 1 1.536 0.024 A 9 GLN HE2x H 1 6.701 0.024 A 9 GLN HE2y H 1 7.325 0.024 A 9 GLN HGx H 1 1.857 0.024 A 9 GLN HGy H 1 1.857 0.024 A 9 GLN C C 13 173.296 0.15 A 9 GLN CA C 13 54.428 0.15 A 9 GLN CB C 13 32.152 0.15 A 9 GLN CG C 13 33.391 0.15 A 9 GLN N N 15 124.882 0.12 A 9 GLN NE2 N 15 111.282 0.12 A 10 LEU H H 1 8.791 0.024 A 10 LEU HA H 1 4.403 0.024 A 10 LEU HBy H 1 1.774 0.024 A 10 LEU HBx H 1 1.007 0.024 A 10 LEU HDx% H 1 0.629 0.024 A 10 LEU HDy% H 1 0.600 0.024 A 10 LEU HG H 1 1.223 0.024 A 10 LEU C C 13 175.169 0.15 A 10 LEU CA C 13 54.452 0.15 A 10 LEU CB C 13 42.758 0.15 A 10 LEU CDy C 13 25.569 0.15 A 10 LEU CDx C 13 23.900 0.15 A 10 LEU CG C 13 27.739 0.15 A 10 LEU N N 15 127.952 0.12 A 11 HIS H H 1 8.852 0.024 A 11 HIS HA H 1 4.880 0.024 A 11 HIS HBy H 1 3.272 0.024 A 11 HIS HBx H 1 3.089 0.024 A 11 HIS HD2 H 1 6.934 0.024 A 11 HIS HE1 H 1 8.081 0.024 A 11 HIS C C 13 174.996 0.15 A 11 HIS CA C 13 53.934 0.15 A 11 HIS CB C 13 28.722 0.15 A 11 HIS CD2 C 13 120.672 0.15 A 11 HIS CE1 C 13 137.100 0.15 A 11 HIS N N 15 127.677 0.12 A 11 HIS ND1 N 15 201.737 0.12 A 12 LYS H H 1 8.775 0.024 A 12 LYS HA H 1 3.882 0.024 A 12 LYS HBy H 1 1.813 0.024 A 12 LYS HBx H 1 1.745 0.024 A 12 LYS HDx H 1 1.664 0.024 A 12 LYS HDy H 1 1.664 0.024 A 12 LYS HEx H 1 2.935 0.024 A 12 LYS HEy H 1 2.935 0.024 A 12 LYS HGy H 1 1.454 0.024 A 12 LYS HGx H 1 1.303 0.024 A 12 LYS CA C 13 60.615 0.15 A 12 LYS CB C 13 32.555 0.15 A 12 LYS CD C 13 29.695 0.15 A 12 LYS CE C 13 42.748 0.15 A 12 LYS CG C 13 26.240 0.15 A 12 LYS N N 15 124.566 0.12 A 13 ALA H H 1 8.869 0.024 A 13 ALA HA H 1 4.146 0.024 A 13 ALA HB% H 1 1.411 0.024 A 13 ALA C C 13 178.803 0.15 A 13 ALA CA C 13 55.090 0.15 A 13 ALA CB C 13 18.155 0.15 A 13 ALA N N 15 121.530 0.12 A 14 SER H H 1 7.374 0.024 A 14 SER HA H 1 4.436 0.024 A 14 SER HBy H 1 3.929 0.024 A 14 SER HBx H 1 3.700 0.024 A 14 SER CA C 13 57.540 0.15 A 14 SER CB C 13 63.271 0.15 A 14 SER N N 15 108.735 0.12 A 15 LYS H H 1 7.954 0.024 A 15 LYS HA H 1 4.220 0.024 A 15 LYS HBx H 1 1.900 0.024 A 15 LYS HBy H 1 2.218 0.024 A 15 LYS HDx H 1 1.627 0.024 A 15 LYS HDy H 1 1.795 0.024 A 15 LYS HEy H 1 2.937 0.024 A 15 LYS HGy H 1 1.517 0.024 A 15 LYS HGx H 1 1.341 0.024 A 15 LYS C C 13 175.226 0.15 A 15 LYS CA C 13 56.545 0.15 A 15 LYS CB C 13 30.562 0.15 A 15 LYS CD C 13 29.680 0.15 A 15 LYS CE C 13 42.839 0.15 A 15 LYS CG C 13 25.088 0.15 A 15 LYS N N 15 120.821 0.12 A 16 THR H H 1 7.875 0.024 A 16 THR HA H 1 4.715 0.024 A 16 THR HB H 1 3.621 0.024 A 16 THR HG2% H 1 0.835 0.024 A 16 THR C C 13 171.307 0.15 A 16 THR CA C 13 61.690 0.15 A 16 THR CB C 13 73.024 0.15 A 16 THR CG2 C 13 21.748 0.15 A 16 THR N N 15 111.730 0.12 A 17 LEU H H 1 8.665 0.024 A 17 LEU HA H 1 4.786 0.024 A 17 LEU HBx H 1 0.818 0.024 A 17 LEU HBy H 1 1.912 0.024 A 17 LEU HDx% H 1 0.590 0.024 A 17 LEU HDy% H 1 0.623 0.024 A 17 LEU HG H 1 1.226 0.024 A 17 LEU C C 13 174.395 0.15 A 17 LEU CA C 13 53.067 0.15 A 17 LEU CB C 13 45.916 0.15 A 17 LEU CDy C 13 26.393 0.15 A 17 LEU CDx C 13 24.029 0.15 A 17 LEU CG C 13 27.461 0.15 A 17 LEU N N 15 127.371 0.12 A 18 THR H H 1 9.306 0.024 A 18 THR HA H 1 5.470 0.024 A 18 THR HB H 1 3.851 0.024 A 18 THR HG2% H 1 1.053 0.024 A 18 THR C C 13 174.011 0.15 A 18 THR CA C 13 62.404 0.15 A 18 THR CB C 13 70.407 0.15 A 18 THR CG2 C 13 22.062 0.15 A 18 THR N N 15 126.281 0.12 A 19 LEU H H 1 8.965 0.024 A 19 LEU HA H 1 4.828 0.024 A 19 LEU HBx H 1 1.212 0.024 A 19 LEU HBy H 1 1.810 0.024 A 19 LEU HDx% H 1 1.013 0.024 A 19 LEU HDy% H 1 0.865 0.024 A 19 LEU HG H 1 1.579 0.024 A 19 LEU C C 13 174.697 0.15 A 19 LEU CA C 13 53.007 0.15 A 19 LEU CB C 13 46.035 0.15 A 19 LEU CDy C 13 27.530 0.15 A 19 LEU CDx C 13 24.999 0.15 A 19 LEU CG C 13 27.516 0.15 A 19 LEU N N 15 126.207 0.12 A 20 ARG H H 1 8.157 0.024 A 20 ARG HA H 1 5.179 0.024 A 20 ARG HBy H 1 1.582 0.024 A 20 ARG HBx H 1 1.388 0.024 A 20 ARG HDy H 1 3.013 0.024 A 20 ARG HDx H 1 2.920 0.024 A 20 ARG HE H 1 6.995 0.024 A 20 ARG HGy H 1 1.276 0.024 A 20 ARG HGx H 1 1.194 0.024 A 20 ARG C C 13 174.551 0.15 A 20 ARG CA C 13 54.328 0.15 A 20 ARG CB C 13 32.888 0.15 A 20 ARG CD C 13 43.512 0.15 A 20 ARG CG C 13 27.904 0.15 A 20 ARG N N 15 121.742 0.12 A 20 ARG NE N 15 83.498 0.12 A 21 TYR H H 1 9.002 0.024 A 21 TYR HA H 1 4.723 0.024 A 21 TYR HBx H 1 2.954 0.024 A 21 TYR HBy H 1 3.028 0.024 A 21 TYR HDx H 1 6.380 0.024 A 21 TYR HDy H 1 6.380 0.024 A 21 TYR HEx H 1 6.193 0.024 A 21 TYR HEy H 1 6.193 0.024 A 21 TYR C C 13 176.483 0.15 A 21 TYR CA C 13 56.613 0.15 A 21 TYR CB C 13 38.899 0.15 A 21 TYR CDx C 13 132.860 0.15 A 21 TYR CEx C 13 117.946 0.15 A 21 TYR N N 15 125.296 0.12 A 22 GLY H H 1 8.556 0.024 A 22 GLY HAy H 1 3.988 0.024 A 22 GLY HAx H 1 3.508 0.024 A 22 GLY C C 13 174.573 0.15 A 22 GLY CA C 13 47.463 0.15 A 22 GLY N N 15 113.533 0.12 A 23 GLU H H 1 8.972 0.024 A 23 GLU HA H 1 4.162 0.024 A 23 GLU HBy H 1 2.134 0.024 A 23 GLU HBx H 1 1.765 0.024 A 23 GLU HGy H 1 2.223 0.024 A 23 GLU HGx H 1 2.145 0.024 A 23 GLU C C 13 176.319 0.15 A 23 GLU CA C 13 56.576 0.15 A 23 GLU CB C 13 30.266 0.15 A 23 GLU CG C 13 36.472 0.15 A 23 GLU N N 15 126.701 0.12 A 24 ASP H H 1 7.788 0.024 A 24 ASP HA H 1 4.637 0.024 A 24 ASP HBy H 1 2.834 0.024 A 24 ASP HBx H 1 2.399 0.024 A 24 ASP CA C 13 54.296 0.15 A 24 ASP CB C 13 43.014 0.15 A 24 ASP N N 15 120.306 0.12 A 25 SER H H 1 8.185 0.024 A 25 SER HA H 1 5.069 0.024 A 25 SER HBy H 1 3.431 0.024 A 25 SER HBx H 1 3.322 0.024 A 25 SER C C 13 172.757 0.15 A 25 SER CA C 13 57.427 0.15 A 25 SER CB C 13 65.181 0.15 A 25 SER N N 15 116.968 0.12 A 26 TYR H H 1 8.914 0.024 A 26 TYR HA H 1 4.606 0.024 A 26 TYR HBy H 1 2.769 0.024 A 26 TYR HBx H 1 2.687 0.024 A 26 TYR HDx H 1 7.040 0.024 A 26 TYR HDy H 1 7.040 0.024 A 26 TYR HEx H 1 6.631 0.024 A 26 TYR HEy H 1 6.631 0.024 A 26 TYR CA C 13 57.031 0.15 A 26 TYR CB C 13 42.374 0.15 A 26 TYR CDx C 13 134.171 0.15 A 26 TYR CEx C 13 117.465 0.15 A 26 TYR N N 15 123.035 0.12 A 27 ASP H H 1 8.693 0.024 A 27 ASP HA H 1 5.006 0.024 A 27 ASP HBy H 1 2.435 0.024 A 27 ASP HBx H 1 2.165 0.024 A 27 ASP CA C 13 53.178 0.15 A 27 ASP CB C 13 42.200 0.15 A 27 ASP N N 15 123.090 0.12 A 28 LEU H H 1 9.365 0.024 A 28 LEU HA H 1 4.767 0.024 A 28 LEU HBx H 1 1.106 0.024 A 28 LEU HBy H 1 2.137 0.024 A 28 LEU HDx% H 1 0.666 0.024 A 28 LEU HDy% H 1 0.841 0.024 A 28 LEU HG H 1 1.606 0.024 A 28 LEU CA C 13 51.338 0.15 A 28 LEU CB C 13 43.025 0.15 A 28 LEU CDx C 13 25.182 0.15 A 28 LEU CDy C 13 26.500 0.15 A 28 LEU CG C 13 27.684 0.15 A 28 LEU N N 15 124.697 0.12 A 29 PRO HA H 1 4.638 0.024 A 29 PRO HBy H 1 2.585 0.024 A 29 PRO HBx H 1 1.680 0.024 A 29 PRO HDy H 1 3.954 0.024 A 29 PRO HDx H 1 3.074 0.024 A 29 PRO HGy H 1 1.816 0.024 A 29 PRO HGx H 1 1.771 0.024 A 29 PRO C C 13 177.520 0.15 A 29 PRO CA C 13 62.393 0.15 A 29 PRO CB C 13 33.536 0.15 A 29 PRO CD C 13 51.237 0.15 A 29 PRO CG C 13 27.812 0.15 A 30 ALA H H 1 9.020 0.024 A 30 ALA HA H 1 3.917 0.024 A 30 ALA HB% H 1 1.460 0.024 A 30 ALA C C 13 178.706 0.15 A 30 ALA CA C 13 56.237 0.15 A 30 ALA CB C 13 20.250 0.15 A 30 ALA N N 15 125.956 0.12 A 31 GLU H H 1 9.166 0.024 A 31 GLU HA H 1 3.554 0.024 A 31 GLU HBx H 1 1.809 0.024 A 31 GLU HBy H 1 2.121 0.024 A 31 GLU HGx H 1 1.971 0.024 A 31 GLU HGy H 1 2.112 0.024 A 31 GLU C C 13 177.039 0.15 A 31 GLU CA C 13 60.022 0.15 A 31 GLU CB C 13 30.309 0.15 A 31 GLU CG C 13 35.728 0.15 A 31 GLU N N 15 118.196 0.12 A 32 PHE H H 1 6.291 0.024 A 32 PHE HA H 1 3.954 0.024 A 32 PHE HBx H 1 2.918 0.024 A 32 PHE HBy H 1 3.163 0.024 A 32 PHE HDx H 1 7.075 0.024 A 32 PHE HDy H 1 7.075 0.024 A 32 PHE HEx H 1 7.108 0.024 A 32 PHE HEy H 1 7.108 0.024 A 32 PHE C C 13 177.590 0.15 A 32 PHE CA C 13 61.609 0.15 A 32 PHE CB C 13 38.732 0.15 A 32 PHE CDx C 13 130.735 0.15 A 32 PHE CEx C 13 132.030 0.15 A 32 PHE N N 15 115.356 0.12 A 33 LEU H H 1 7.962 0.024 A 33 LEU HA H 1 3.734 0.024 A 33 LEU HBy H 1 2.072 0.024 A 33 LEU HBx H 1 1.276 0.024 A 33 LEU HDx% H 1 0.708 0.024 A 33 LEU HDy% H 1 0.593 0.024 A 33 LEU HG H 1 1.623 0.024 A 33 LEU C C 13 177.326 0.15 A 33 LEU CA C 13 58.227 0.15 A 33 LEU CB C 13 42.775 0.15 A 33 LEU CDy C 13 27.451 0.15 A 33 LEU CDx C 13 23.103 0.15 A 33 LEU CG C 13 27.225 0.15 A 33 LEU N N 15 119.865 0.12 A 34 ARG H H 1 8.662 0.024 A 34 ARG HA H 1 3.175 0.024 A 34 ARG HBx H 1 1.041 0.024 A 34 ARG HBy H 1 1.627 0.024 A 34 ARG HDy H 1 2.109 0.024 A 34 ARG HDx H 1 1.744 0.024 A 34 ARG HE H 1 10.256 0.024 A 34 ARG HGx H 1 0.718 0.024 A 34 ARG HGy H 1 0.718 0.024 A 34 ARG C C 13 180.116 0.15 A 34 ARG CA C 13 57.471 0.15 A 34 ARG CB C 13 29.033 0.15 A 34 ARG CD C 13 40.335 0.15 A 34 ARG CG C 13 27.667 0.15 A 34 ARG N N 15 117.517 0.12 A 34 ARG NE N 15 88.640 0.12 A 35 VAL H H 1 7.880 0.024 A 35 VAL HA H 1 3.675 0.024 A 35 VAL HB H 1 1.910 0.024 A 35 VAL HGx% H 1 -0.023 0.024 A 35 VAL HGy% H 1 0.592 0.024 A 35 VAL C C 13 175.234 0.15 A 35 VAL CA C 13 63.075 0.15 A 35 VAL CB C 13 31.102 0.15 A 35 VAL CGx C 13 16.866 0.15 A 35 VAL CGy C 13 20.278 0.15 A 35 VAL N N 15 111.173 0.12 A 36 HIS H H 1 6.886 0.024 A 36 HIS HA H 1 4.470 0.024 A 36 HIS HBy H 1 3.576 0.024 A 36 HIS HBx H 1 2.295 0.024 A 36 HIS HD2 H 1 6.928 0.024 A 36 HIS C C 13 174.018 0.15 A 36 HIS CA C 13 57.478 0.15 A 36 HIS CB C 13 28.527 0.15 A 36 HIS CD2 C 13 126.195 0.15 A 36 HIS N N 15 116.692 0.12 A 37 SER H H 1 6.864 0.024 A 37 SER HA H 1 4.534 0.024 A 37 SER HBy H 1 3.986 0.024 A 37 SER HBx H 1 3.732 0.024 A 37 SER CA C 13 56.394 0.15 A 37 SER CB C 13 63.731 0.15 A 37 SER N N 15 117.430 0.12 A 38 PRO HA H 1 4.260 0.024 A 38 PRO HBy H 1 1.710 0.024 A 38 PRO HBx H 1 1.592 0.024 A 38 PRO HDy H 1 2.913 0.024 A 38 PRO HDx H 1 2.798 0.024 A 38 PRO HGy H 1 1.422 0.024 A 38 PRO HGx H 1 1.145 0.024 A 38 PRO C C 13 176.654 0.15 A 38 PRO CA C 13 62.851 0.15 A 38 PRO CB C 13 32.066 0.15 A 38 PRO CD C 13 50.212 0.15 A 38 PRO CG C 13 27.340 0.15 A 39 SER H H 1 8.158 0.024 A 39 SER HA H 1 4.354 0.024 A 39 SER HBx H 1 3.754 0.024 A 39 SER HBy H 1 3.814 0.024 A 39 SER C C 13 174.404 0.15 A 39 SER CA C 13 57.978 0.15 A 39 SER CB C 13 63.947 0.15 A 39 SER N N 15 116.237 0.12 A 40 ALA H H 1 8.451 0.024 A 40 ALA HA H 1 4.165 0.024 A 40 ALA HB% H 1 1.286 0.024 A 40 ALA C C 13 177.853 0.15 A 40 ALA CA C 13 52.993 0.15 A 40 ALA CB C 13 19.339 0.15 A 40 ALA N N 15 127.229 0.12 A 41 GLU H H 1 8.262 0.024 A 41 GLU HA H 1 4.140 0.024 A 41 GLU HBx H 1 1.829 0.024 A 41 GLU HBy H 1 1.931 0.024 A 41 GLU HGx H 1 2.149 0.024 A 41 GLU HGy H 1 2.171 0.024 A 41 GLU C C 13 176.518 0.15 A 41 GLU CA C 13 57.025 0.15 A 41 GLU CB C 13 30.384 0.15 A 41 GLU CG C 13 36.449 0.15 A 41 GLU N N 15 118.957 0.12 A 42 VAL H H 1 7.875 0.024 A 42 VAL HA H 1 4.008 0.024 A 42 VAL HB H 1 1.948 0.024 A 42 VAL HGx% H 1 0.787 0.024 A 42 VAL HGy% H 1 0.787 0.024 A 42 VAL C C 13 176.069 0.15 A 42 VAL CA C 13 62.436 0.15 A 42 VAL CB C 13 32.980 0.15 A 42 VAL CGy C 13 21.174 0.15 A 42 VAL N N 15 119.639 0.12 A 43 GLN H H 1 8.350 0.024 A 43 GLN HA H 1 4.181 0.024 A 43 GLN HBx H 1 2.011 0.024 A 43 GLN HBy H 1 2.011 0.024 A 43 GLN HE2x H 1 6.768 0.024 A 43 GLN HE2y H 1 7.429 0.024 A 43 GLN HGx H 1 2.262 0.024 A 43 GLN HGy H 1 2.262 0.024 A 43 GLN C C 13 176.638 0.15 A 43 GLN CA C 13 56.154 0.15 A 43 GLN CB C 13 29.194 0.15 A 43 GLN CG C 13 33.938 0.15 A 43 GLN N N 15 121.993 0.12 A 43 GLN NE2 N 15 112.373 0.12 A 44 GLY H H 1 8.263 0.024 A 44 GLY HAy H 1 3.862 0.024 A 44 GLY HAx H 1 3.721 0.024 A 44 GLY C C 13 174.115 0.15 A 44 GLY CA C 13 45.836 0.15 A 44 GLY N N 15 109.114 0.12 A 45 HIS H H 1 8.265 0.024 A 45 HIS HA H 1 4.572 0.024 A 45 HIS HBy H 1 3.214 0.024 A 45 HIS HBx H 1 3.050 0.024 A 45 HIS HD2 H 1 7.123 0.024 A 45 HIS HE1 H 1 8.336 0.024 A 45 HIS C C 13 174.815 0.15 A 45 HIS CA C 13 55.410 0.15 A 45 HIS CB C 13 29.163 0.15 A 45 HIS CD2 C 13 120.109 0.15 A 45 HIS CE1 C 13 136.920 0.15 A 45 HIS N N 15 118.219 0.12 A 46 GLY H H 1 8.207 0.024 A 46 GLY HAy H 1 3.932 0.024 A 46 GLY HAx H 1 3.784 0.024 A 46 GLY C C 13 173.223 0.15 A 46 GLY CA C 13 45.268 0.15 A 46 GLY N N 15 108.920 0.12 A 47 ASN H H 1 8.152 0.024 A 47 ASN HA H 1 4.936 0.024 A 47 ASN HBx H 1 2.554 0.024 A 47 ASN HBy H 1 2.723 0.024 A 47 ASN HD2y H 1 7.511 0.024 A 47 ASN HD2x H 1 6.838 0.024 A 47 ASN CA C 13 51.280 0.15 A 47 ASN CB C 13 38.949 0.15 A 47 ASN N N 15 119.471 0.12 A 47 ASN ND2 N 15 113.133 0.12 A 48 PRO HA H 1 4.365 0.024 A 48 PRO HBy H 1 2.161 0.024 A 48 PRO HBx H 1 1.816 0.024 A 48 PRO HDx H 1 3.618 0.024 A 48 PRO HDy H 1 3.711 0.024 A 48 PRO HGy H 1 1.958 0.024 A 48 PRO HGx H 1 1.906 0.024 A 48 PRO C C 13 172.644 0.15 A 48 PRO CA C 13 63.192 0.15 A 48 PRO CB C 13 32.432 0.15 A 48 PRO CD C 13 50.864 0.15 A 48 PRO CG C 13 27.583 0.15 A 49 VAL H H 1 8.206 0.024 A 49 VAL HA H 1 3.948 0.024 A 49 VAL HB H 1 1.879 0.024 A 49 VAL HGx% H 1 0.830 0.024 A 49 VAL HGy% H 1 0.830 0.024 A 49 VAL C C 13 175.968 0.15 A 49 VAL CA C 13 61.827 0.15 A 49 VAL CB C 13 33.218 0.15 A 49 VAL CGy C 13 21.113 0.15 A 49 VAL N N 15 121.464 0.12 A 50 LEU H H 1 8.203 0.024 A 50 LEU HA H 1 4.156 0.024 A 50 LEU HBy H 1 1.646 0.024 A 50 LEU HBx H 1 1.448 0.024 A 50 LEU HDx% H 1 0.624 0.024 A 50 LEU HDy% H 1 0.860 0.024 A 50 LEU HG H 1 1.415 0.024 A 50 LEU C C 13 176.295 0.15 A 50 LEU CA C 13 55.672 0.15 A 50 LEU CB C 13 42.839 0.15 A 50 LEU CDy C 13 26.718 0.15 A 50 LEU CDx C 13 23.914 0.15 A 50 LEU CG C 13 27.038 0.15 A 50 LEU N N 15 129.261 0.12 A 51 GLN H H 1 8.882 0.024 A 51 GLN HA H 1 4.361 0.024 A 51 GLN HBy H 1 1.741 0.024 A 51 GLN HBx H 1 1.647 0.024 A 51 GLN HE2y H 1 7.205 0.024 A 51 GLN HE2x H 1 6.829 0.024 A 51 GLN HGx H 1 1.995 0.024 A 51 GLN HGy H 1 2.379 0.024 A 51 GLN CA C 13 53.740 0.15 A 51 GLN CB C 13 30.508 0.15 A 51 GLN CG C 13 34.010 0.15 A 51 GLN N N 15 125.765 0.12 A 51 GLN NE2 N 15 114.674 0.12 A 52 TYR H H 1 8.239 0.024 A 52 TYR HA H 1 4.608 0.024 A 52 TYR HBy H 1 3.301 0.024 A 52 TYR HBx H 1 2.489 0.024 A 52 TYR HDx H 1 6.922 0.024 A 52 TYR HDy H 1 6.922 0.024 A 52 TYR HEx H 1 6.816 0.024 A 52 TYR HEy H 1 6.816 0.024 A 52 TYR CA C 13 56.072 0.15 A 52 TYR CB C 13 39.268 0.15 A 52 TYR CDx C 13 134.083 0.15 A 52 TYR CEx C 13 118.683 0.15 A 52 TYR N N 15 119.700 0.12 A 53 GLY H H 1 8.758 0.024 A 53 GLY HAx H 1 3.566 0.024 A 53 GLY HAy H 1 3.780 0.024 A 53 GLY CA C 13 47.612 0.15 A 53 GLY N N 15 106.671 0.12 A 54 LYS H H 1 8.421 0.024 A 54 LYS HA H 1 4.494 0.024 A 54 LYS HBy H 1 1.937 0.024 A 54 LYS HBx H 1 1.773 0.024 A 54 LYS HDx H 1 1.088 0.024 A 54 LYS HDy H 1 1.336 0.024 A 54 LYS HEx H 1 2.322 0.024 A 54 LYS HEy H 1 2.322 0.024 A 54 LYS HGx H 1 0.700 0.024 A 54 LYS HGy H 1 0.700 0.024 A 54 LYS CA C 13 53.322 0.15 A 54 LYS CB C 13 30.424 0.15 A 54 LYS CD C 13 27.835 0.15 A 54 LYS CE C 13 42.291 0.15 A 54 LYS CG C 13 23.930 0.15 A 54 LYS N N 15 116.736 0.12 A 55 LEU H H 1 8.156 0.024 A 55 LEU HA H 1 4.065 0.024 A 55 LEU HBy H 1 1.448 0.024 A 55 LEU HBx H 1 1.318 0.024 A 55 LEU HDx% H 1 0.818 0.024 A 55 LEU HDy% H 1 0.933 0.024 A 55 LEU HG H 1 1.431 0.024 A 55 LEU CA C 13 58.415 0.15 A 55 LEU CB C 13 45.066 0.15 A 55 LEU CDy C 13 26.748 0.15 A 55 LEU CDx C 13 23.782 0.15 A 55 LEU CG C 13 26.683 0.15 A 55 LEU N N 15 120.537 0.12 A 56 ASN H H 1 8.640 0.024 A 56 ASN HA H 1 4.784 0.024 A 56 ASN HBx H 1 2.509 0.024 A 56 ASN HBy H 1 2.972 0.024 A 56 ASN HD2y H 1 7.368 0.024 A 56 ASN HD2x H 1 7.115 0.024 A 56 ASN CA C 13 52.570 0.15 A 56 ASN CB C 13 39.585 0.15 A 56 ASN N N 15 111.780 0.12 A 56 ASN ND2 N 15 113.422 0.12 A 57 VAL H H 1 7.737 0.024 A 57 VAL HA H 1 4.000 0.024 A 57 VAL HB H 1 2.091 0.024 A 57 VAL HGx% H 1 0.823 0.024 A 57 VAL HGy% H 1 1.200 0.024 A 57 VAL C C 13 172.429 0.15 A 57 VAL CA C 13 63.267 0.15 A 57 VAL CB C 13 32.156 0.15 A 57 VAL CGx C 13 21.316 0.15 A 57 VAL CGy C 13 23.570 0.15 A 57 VAL N N 15 123.446 0.12 A 58 GLY H H 1 9.463 0.024 A 58 GLY HAy H 1 4.470 0.024 A 58 GLY HAx H 1 3.576 0.024 A 58 GLY C C 13 173.337 0.15 A 58 GLY CA C 13 44.068 0.15 A 58 GLY N N 15 113.942 0.12 A 59 LEU H H 1 7.701 0.024 A 59 LEU HA H 1 4.423 0.024 A 59 LEU HBy H 1 1.206 0.024 A 59 LEU HBx H 1 1.155 0.024 A 59 LEU HDx% H 1 0.359 0.024 A 59 LEU HDy% H 1 0.268 0.024 A 59 LEU HG H 1 1.148 0.024 A 59 LEU C C 13 175.849 0.15 A 59 LEU CA C 13 54.320 0.15 A 59 LEU CB C 13 45.093 0.15 A 59 LEU CDx C 13 24.950 0.15 A 59 LEU CDy C 13 26.579 0.15 A 59 LEU CG C 13 27.791 0.15 A 59 LEU N N 15 121.433 0.12 A 60 VAL H H 1 8.779 0.024 A 60 VAL HA H 1 4.091 0.024 A 60 VAL HB H 1 1.910 0.024 A 60 VAL HGx% H 1 0.774 0.024 A 60 VAL HGy% H 1 0.572 0.024 A 60 VAL C C 13 175.835 0.15 A 60 VAL CA C 13 62.153 0.15 A 60 VAL CB C 13 33.041 0.15 A 60 VAL CGy C 13 21.923 0.15 A 60 VAL CGx C 13 19.987 0.15 A 60 VAL N N 15 119.800 0.12 A 61 GLY H H 1 7.229 0.024 A 61 GLY HAy H 1 4.112 0.024 A 61 GLY HAx H 1 3.726 0.024 A 61 GLY C C 13 170.615 0.15 A 61 GLY CA C 13 45.875 0.15 A 61 GLY N N 15 106.458 0.12 A 62 VAL H H 1 8.143 0.024 A 62 VAL HA H 1 4.635 0.024 A 62 VAL HB H 1 1.802 0.024 A 62 VAL HGx% H 1 0.687 0.024 A 62 VAL HGy% H 1 0.687 0.024 A 62 VAL C C 13 174.004 0.15 A 62 VAL CA C 13 60.666 0.15 A 62 VAL CB C 13 34.936 0.15 A 62 VAL CGy C 13 22.031 0.15 A 62 VAL N N 15 119.079 0.12 A 63 GLU H H 1 8.481 0.024 A 63 GLU HA H 1 4.964 0.024 A 63 GLU HBx H 1 1.803 0.024 A 63 GLU HBy H 1 1.993 0.024 A 63 GLU HGx H 1 2.071 0.024 A 63 GLU HGy H 1 2.120 0.024 A 63 GLU CA C 13 53.003 0.15 A 63 GLU CB C 13 32.902 0.15 A 63 GLU CG C 13 35.751 0.15 A 63 GLU N N 15 123.839 0.12 A 64 PRO HA H 1 4.086 0.024 A 64 PRO HBx H 1 1.909 0.024 A 64 PRO HBy H 1 1.909 0.024 A 64 PRO HDx H 1 3.718 0.024 A 64 PRO HDy H 1 3.718 0.024 A 64 PRO HGx H 1 2.146 0.024 A 64 PRO HGy H 1 2.146 0.024 A 64 PRO C C 13 175.955 0.15 A 64 PRO CA C 13 62.242 0.15 A 64 PRO CB C 13 33.014 0.15 A 64 PRO CD C 13 50.880 0.15 A 64 PRO CG C 13 28.070 0.15 A 65 ALA H H 1 8.168 0.024 A 65 ALA HA H 1 4.537 0.024 A 65 ALA HB% H 1 0.927 0.024 A 65 ALA C C 13 175.858 0.15 A 65 ALA CA C 13 50.340 0.15 A 65 ALA CB C 13 19.636 0.15 A 65 ALA N N 15 128.959 0.12 A 66 GLY H H 1 8.205 0.024 A 66 GLY HAx H 1 3.710 0.024 A 66 GLY HAy H 1 4.015 0.024 A 66 GLY C C 13 174.365 0.15 A 66 GLY CA C 13 45.655 0.15 A 66 GLY N N 15 110.034 0.12 A 67 GLN H H 1 8.621 0.024 A 67 GLN HA H 1 4.296 0.024 A 67 GLN HBx H 1 1.474 0.024 A 67 GLN HBy H 1 1.693 0.024 A 67 GLN HE2y H 1 7.361 0.024 A 67 GLN HE2x H 1 6.779 0.024 A 67 GLN HGx H 1 2.026 0.024 A 67 GLN HGy H 1 2.026 0.024 A 67 GLN C C 13 177.710 0.15 A 67 GLN CA C 13 56.739 0.15 A 67 GLN CB C 13 29.571 0.15 A 67 GLN CG C 13 34.131 0.15 A 67 GLN N N 15 119.706 0.12 A 67 GLN NE2 N 15 112.015 0.12 A 68 TYR H H 1 8.082 0.024 A 68 TYR HA H 1 4.915 0.024 A 68 TYR HBy H 1 3.343 0.024 A 68 TYR HBx H 1 2.866 0.024 A 68 TYR HDx H 1 7.152 0.024 A 68 TYR HDy H 1 7.152 0.024 A 68 TYR HEx H 1 6.797 0.024 A 68 TYR HEy H 1 6.797 0.024 A 68 TYR C C 13 173.814 0.15 A 68 TYR CA C 13 57.906 0.15 A 68 TYR CB C 13 39.992 0.15 A 68 TYR CDx C 13 133.474 0.15 A 68 TYR CEx C 13 118.551 0.15 A 68 TYR N N 15 115.474 0.12 A 69 ALA H H 1 6.797 0.024 A 69 ALA HA H 1 3.998 0.024 A 69 ALA HB% H 1 0.903 0.024 A 69 ALA C C 13 174.605 0.15 A 69 ALA CA C 13 50.690 0.15 A 69 ALA CB C 13 23.797 0.15 A 69 ALA N N 15 118.739 0.12 A 70 LEU H H 1 8.044 0.024 A 70 LEU HA H 1 4.444 0.024 A 70 LEU HBy H 1 1.092 0.024 A 70 LEU HBx H 1 1.058 0.024 A 70 LEU HDx% H 1 0.662 0.024 A 70 LEU HDy% H 1 0.623 0.024 A 70 LEU HG H 1 1.106 0.024 A 70 LEU C C 13 174.425 0.15 A 70 LEU CA C 13 53.140 0.15 A 70 LEU CB C 13 46.144 0.15 A 70 LEU CDy C 13 24.852 0.15 A 70 LEU CDx C 13 24.159 0.15 A 70 LEU CG C 13 26.161 0.15 A 70 LEU N N 15 119.112 0.12 A 71 LYS H H 1 9.081 0.024 A 71 LYS HA H 1 4.986 0.024 A 71 LYS HBx H 1 1.364 0.024 A 71 LYS HBy H 1 1.699 0.024 A 71 LYS HDx H 1 1.422 0.024 A 71 LYS HDy H 1 1.516 0.024 A 71 LYS HEx H 1 2.730 0.024 A 71 LYS HEy H 1 2.730 0.024 A 71 LYS HGx H 1 0.914 0.024 A 71 LYS HGy H 1 1.100 0.024 A 71 LYS C C 13 175.740 0.15 A 71 LYS CA C 13 55.010 0.15 A 71 LYS CB C 13 34.371 0.15 A 71 LYS CD C 13 29.768 0.15 A 71 LYS CE C 13 41.954 0.15 A 71 LYS CG C 13 25.000 0.15 A 71 LYS N N 15 122.076 0.12 A 72 LEU H H 1 8.558 0.024 A 72 LEU HA H 1 4.654 0.024 A 72 LEU HBy H 1 1.458 0.024 A 72 LEU HBx H 1 0.756 0.024 A 72 LEU HDx% H 1 0.142 0.024 A 72 LEU HDy% H 1 0.319 0.024 A 72 LEU HG H 1 1.260 0.024 A 72 LEU C C 13 174.781 0.15 A 72 LEU CA C 13 53.909 0.15 A 72 LEU CB C 13 43.074 0.15 A 72 LEU CDx C 13 24.983 0.15 A 72 LEU CDy C 13 25.835 0.15 A 72 LEU CG C 13 29.190 0.15 A 72 LEU N N 15 129.976 0.12 A 73 SER H H 1 7.963 0.024 A 73 SER HA H 1 5.012 0.024 A 73 SER HBx H 1 3.339 0.024 A 73 SER HBy H 1 3.707 0.024 A 73 SER C C 13 173.350 0.15 A 73 SER CA C 13 56.999 0.15 A 73 SER CB C 13 64.545 0.15 A 73 SER N N 15 115.819 0.12 A 74 PHE H H 1 9.159 0.024 A 74 PHE HA H 1 5.480 0.024 A 74 PHE HBx H 1 3.146 0.024 A 74 PHE HBy H 1 3.598 0.024 A 74 PHE HDx H 1 7.360 0.024 A 74 PHE HDy H 1 7.360 0.024 A 74 PHE HEx H 1 6.828 0.024 A 74 PHE HEy H 1 6.828 0.024 A 74 PHE C C 13 177.193 0.15 A 74 PHE CA C 13 56.528 0.15 A 74 PHE CB C 13 42.339 0.15 A 74 PHE CDx C 13 131.579 0.15 A 74 PHE CEx C 13 128.800 0.15 A 74 PHE N N 15 123.561 0.12 A 75 ASP H H 1 8.672 0.024 A 75 ASP HA H 1 4.475 0.024 A 75 ASP HBx H 1 2.337 0.024 A 75 ASP HBy H 1 3.186 0.024 A 75 ASP C C 13 175.706 0.15 A 75 ASP CA C 13 54.630 0.15 A 75 ASP CB C 13 39.445 0.15 A 75 ASP N N 15 120.551 0.12 A 76 ASP H H 1 8.020 0.024 A 76 ASP HA H 1 4.655 0.024 A 76 ASP HBx H 1 2.558 0.024 A 76 ASP HBy H 1 2.973 0.024 A 76 ASP C C 13 177.632 0.15 A 76 ASP CA C 13 53.237 0.15 A 76 ASP CB C 13 40.244 0.15 A 76 ASP N N 15 117.211 0.12 A 77 GLY H H 1 7.963 0.024 A 77 GLY HAy H 1 4.245 0.024 A 77 GLY HAx H 1 3.688 0.024 A 77 GLY C C 13 173.803 0.15 A 77 GLY CA C 13 45.370 0.15 A 77 GLY N N 15 108.290 0.12 A 78 HIS H H 1 7.983 0.024 A 78 HIS HA H 1 4.631 0.024 A 78 HIS HBy H 1 3.311 0.024 A 78 HIS HBx H 1 2.823 0.024 A 78 HIS HD2 H 1 6.671 0.024 A 78 HIS HE1 H 1 7.689 0.024 A 78 HIS C C 13 174.202 0.15 A 78 HIS CA C 13 56.447 0.15 A 78 HIS CB C 13 30.385 0.15 A 78 HIS CD2 C 13 124.342 0.15 A 78 HIS CE1 C 13 139.215 0.15 A 78 HIS N N 15 121.047 0.12 A 79 ASP H H 1 7.995 0.024 A 79 ASP HA H 1 5.105 0.024 A 79 ASP HBx H 1 2.536 0.024 A 79 ASP HBy H 1 2.536 0.024 A 79 ASP CA C 13 53.341 0.15 A 79 ASP CB C 13 42.778 0.15 A 79 ASP N N 15 126.046 0.12 A 80 SER HA H 1 4.380 0.024 A 80 SER HBx H 1 3.806 0.024 A 80 SER HBy H 1 3.984 0.024 A 80 SER CA C 13 58.429 0.15 A 80 SER CB C 13 65.243 0.15 A 81 GLY H H 1 8.519 0.024 A 81 GLY HAy H 1 4.330 0.024 A 81 GLY HAx H 1 3.580 0.024 A 81 GLY CA C 13 45.589 0.15 A 81 GLY N N 15 111.790 0.12 A 83 PHE HA H 1 4.617 0.024 A 83 PHE HBx H 1 2.661 0.024 A 83 PHE HBy H 1 3.228 0.024 A 83 PHE HDx H 1 7.283 0.024 A 83 PHE HDy H 1 7.283 0.024 A 83 PHE HEx H 1 7.382 0.024 A 83 PHE HZ H 1 7.540 0.024 A 83 PHE CA C 13 56.814 0.15 A 83 PHE CB C 13 39.164 0.15 A 83 PHE CDx C 13 132.750 0.15 A 83 PHE CEx C 13 132.255 0.15 A 83 PHE CZ C 13 130.103 0.15 A 84 THR HA H 1 4.515 0.024 A 84 THR HB H 1 4.807 0.024 A 84 THR HG2% H 1 1.260 0.024 A 84 THR CA C 13 60.880 0.15 A 84 THR CB C 13 70.740 0.15 A 84 THR CG2 C 13 22.321 0.15 A 85 TRP H H 1 7.649 0.024 A 85 TRP HA H 1 5.039 0.024 A 85 TRP HBy H 1 3.654 0.024 A 85 TRP HBx H 1 3.172 0.024 A 85 TRP HD1 H 1 7.385 0.024 A 85 TRP HE1 H 1 9.826 0.024 A 85 TRP HE3 H 1 7.796 0.024 A 85 TRP HH2 H 1 6.875 0.024 A 85 TRP HZ2 H 1 7.283 0.024 A 85 TRP HZ3 H 1 6.615 0.024 A 85 TRP CA C 13 59.265 0.15 A 85 TRP CB C 13 30.155 0.15 A 85 TRP CD1 C 13 128.210 0.15 A 85 TRP CE3 C 13 121.409 0.15 A 85 TRP CH2 C 13 124.301 0.15 A 85 TRP CZ2 C 13 114.843 0.15 A 85 TRP CZ3 C 13 121.303 0.15 A 85 TRP N N 15 118.669 0.12 A 85 TRP NE1 N 15 128.084 0.12 A 86 ASP H H 1 8.823 0.024 A 86 ASP HA H 1 4.587 0.024 A 86 ASP HBy H 1 2.761 0.024 A 86 ASP HBx H 1 2.629 0.024 A 86 ASP CA C 13 57.580 0.15 A 86 ASP CB C 13 40.484 0.15 A 86 ASP N N 15 118.661 0.12 A 87 TYR H H 1 7.909 0.024 A 87 TYR HA H 1 4.573 0.024 A 87 TYR HBx H 1 3.023 0.024 A 87 TYR HBy H 1 3.192 0.024 A 87 TYR HDx H 1 7.079 0.024 A 87 TYR HDy H 1 7.079 0.024 A 87 TYR HEx H 1 6.694 0.024 A 87 TYR HEy H 1 6.694 0.024 A 87 TYR C C 13 177.708 0.15 A 87 TYR CA C 13 60.272 0.15 A 87 TYR CB C 13 39.507 0.15 A 87 TYR CDx C 13 132.855 0.15 A 87 TYR CEx C 13 117.864 0.15 A 87 TYR N N 15 123.444 0.12 A 88 LEU H H 1 8.977 0.024 A 88 LEU HA H 1 3.803 0.024 A 88 LEU HBy H 1 1.981 0.024 A 88 LEU HBx H 1 1.662 0.024 A 88 LEU HDx% H 1 0.777 0.024 A 88 LEU HDy% H 1 0.777 0.024 A 88 LEU HG H 1 1.762 0.024 A 88 LEU C C 13 177.346 0.15 A 88 LEU CA C 13 58.362 0.15 A 88 LEU CB C 13 42.522 0.15 A 88 LEU CDy C 13 26.146 0.15 A 88 LEU CDx C 13 24.192 0.15 A 88 LEU CG C 13 27.753 0.15 A 88 LEU N N 15 117.994 0.12 A 89 TYR H H 1 7.920 0.024 A 89 TYR HA H 1 3.950 0.024 A 89 TYR HBx H 1 2.950 0.024 A 89 TYR HBy H 1 2.950 0.024 A 89 TYR HDx H 1 6.945 0.024 A 89 TYR HDy H 1 6.945 0.024 A 89 TYR HEx H 1 6.343 0.024 A 89 TYR HEy H 1 6.343 0.024 A 89 TYR C C 13 178.725 0.15 A 89 TYR CA C 13 61.927 0.15 A 89 TYR CB C 13 38.604 0.15 A 89 TYR CDx C 13 133.625 0.15 A 89 TYR CEx C 13 117.686 0.15 A 89 TYR N N 15 117.017 0.12 A 90 GLU H H 1 7.634 0.024 A 90 GLU HA H 1 3.567 0.024 A 90 GLU HBy H 1 2.138 0.024 A 90 GLU HBx H 1 2.083 0.024 A 90 GLU C C 13 177.083 0.15 A 90 GLU CA C 13 59.806 0.15 A 90 GLU CB C 13 29.300 0.15 A 90 GLU N N 15 122.062 0.12 A 91 LEU H H 1 8.108 0.024 A 91 LEU HA H 1 3.571 0.024 A 91 LEU HBy H 1 1.835 0.024 A 91 LEU HBx H 1 1.084 0.024 A 91 LEU HDx% H 1 0.501 0.024 A 91 LEU HDy% H 1 0.249 0.024 A 91 LEU HG H 1 1.117 0.024 A 91 LEU C C 13 177.580 0.15 A 91 LEU CA C 13 57.523 0.15 A 91 LEU CB C 13 41.822 0.15 A 91 LEU CDy C 13 26.702 0.15 A 91 LEU CDx C 13 22.480 0.15 A 91 LEU CG C 13 26.051 0.15 A 91 LEU N N 15 116.670 0.12 A 92 ALA H H 1 8.025 0.024 A 92 ALA HA H 1 3.629 0.024 A 92 ALA HB% H 1 0.861 0.024 A 92 ALA C C 13 178.897 0.15 A 92 ALA CA C 13 55.072 0.15 A 92 ALA CB C 13 17.676 0.15 A 92 ALA N N 15 115.165 0.12 A 93 THR H H 1 7.354 0.024 A 93 THR HA H 1 3.568 0.024 A 93 THR HB H 1 3.818 0.024 A 93 THR HG2% H 1 0.248 0.024 A 93 THR C C 13 177.067 0.15 A 93 THR CA C 13 63.802 0.15 A 93 THR CB C 13 70.349 0.15 A 93 THR CG2 C 13 20.939 0.15 A 93 THR N N 15 103.679 0.12 A 94 ARG H H 1 7.718 0.024 A 94 ARG HA H 1 4.717 0.024 A 94 ARG HBy H 1 2.138 0.024 A 94 ARG HBx H 1 1.632 0.024 A 94 ARG HDy H 1 3.139 0.024 A 94 ARG HDx H 1 3.085 0.024 A 94 ARG HE H 1 7.138 0.024 A 94 ARG HGx H 1 1.418 0.024 A 94 ARG HGy H 1 1.674 0.024 A 94 ARG C C 13 175.694 0.15 A 94 ARG CA C 13 55.172 0.15 A 94 ARG CB C 13 29.061 0.15 A 94 ARG CD C 13 44.182 0.15 A 94 ARG CG C 13 27.884 0.15 A 94 ARG N N 15 120.193 0.12 A 94 ARG NE N 15 85.422 0.12 A 95 LYS H H 1 6.532 0.024 A 95 LYS HA H 1 3.771 0.024 A 95 LYS HBy H 1 1.698 0.024 A 95 LYS HBx H 1 1.416 0.024 A 95 LYS HDx H 1 1.198 0.024 A 95 LYS HDy H 1 1.267 0.024 A 95 LYS HEy H 1 2.728 0.024 A 95 LYS HEx H 1 2.616 0.024 A 95 LYS HGy H 1 0.571 0.024 A 95 LYS HGx H 1 0.272 0.024 A 95 LYS C C 13 177.144 0.15 A 95 LYS CA C 13 60.517 0.15 A 95 LYS CB C 13 32.450 0.15 A 95 LYS CD C 13 29.569 0.15 A 95 LYS CE C 13 41.862 0.15 A 95 LYS CG C 13 22.730 0.15 A 95 LYS N N 15 120.879 0.12 A 96 ASP H H 1 8.507 0.024 A 96 ASP HA H 1 4.412 0.024 A 96 ASP HBy H 1 2.661 0.024 A 96 ASP HBx H 1 2.516 0.024 A 96 ASP CA C 13 58.103 0.15 A 96 ASP CB C 13 40.086 0.15 A 96 ASP N N 15 116.590 0.12 A 97 GLN H H 1 8.110 0.024 A 97 GLN HA H 1 4.101 0.024 A 97 GLN HBy H 1 2.148 0.024 A 97 GLN HBx H 1 2.086 0.024 A 97 GLN HE2y H 1 7.784 0.024 A 97 GLN HE2x H 1 6.865 0.024 A 97 GLN HGx H 1 2.381 0.024 A 97 GLN HGy H 1 2.381 0.024 A 97 GLN C C 13 177.967 0.15 A 97 GLN CA C 13 58.801 0.15 A 97 GLN CB C 13 28.761 0.15 A 97 GLN CG C 13 33.984 0.15 A 97 GLN N N 15 122.484 0.12 A 97 GLN NE2 N 15 114.767 0.12 A 98 LEU H H 1 8.663 0.024 A 98 LEU HA H 1 4.237 0.024 A 98 LEU HBy H 1 1.879 0.024 A 98 LEU HBx H 1 1.532 0.024 A 98 LEU HDx% H 1 0.723 0.024 A 98 LEU HDy% H 1 0.929 0.024 A 98 LEU HG H 1 1.703 0.024 A 98 LEU C C 13 181.167 0.15 A 98 LEU CA C 13 57.884 0.15 A 98 LEU CB C 13 42.403 0.15 A 98 LEU CDy C 13 27.790 0.15 A 98 LEU CDx C 13 22.875 0.15 A 98 LEU CG C 13 27.558 0.15 A 98 LEU N N 15 119.665 0.12 A 99 TRP H H 1 9.386 0.024 A 99 TRP HA H 1 4.981 0.024 A 99 TRP HBx H 1 3.461 0.024 A 99 TRP HD1 H 1 7.346 0.024 A 99 TRP HE1 H 1 10.474 0.024 A 99 TRP HE3 H 1 7.598 0.024 A 99 TRP HH2 H 1 7.181 0.024 A 99 TRP HZ2 H 1 7.351 0.024 A 99 TRP HZ3 H 1 6.612 0.024 A 99 TRP C C 13 176.466 0.15 A 99 TRP CA C 13 59.635 0.15 A 99 TRP CB C 13 30.693 0.15 A 99 TRP CD1 C 13 128.250 0.15 A 99 TRP CE3 C 13 120.257 0.15 A 99 TRP CH2 C 13 123.494 0.15 A 99 TRP CZ2 C 13 115.406 0.15 A 99 TRP CZ3 C 13 121.943 0.15 A 99 TRP N N 15 121.753 0.12 A 99 TRP NE1 N 15 130.386 0.12 A 100 ALA H H 1 7.769 0.024 A 100 ALA HA H 1 3.923 0.024 A 100 ALA HB% H 1 1.544 0.024 A 100 ALA C C 13 181.424 0.15 A 100 ALA CA C 13 55.659 0.15 A 100 ALA CB C 13 17.880 0.15 A 100 ALA N N 15 120.302 0.12 A 101 ASP H H 1 8.409 0.024 A 101 ASP HA H 1 4.360 0.024 A 101 ASP HBy H 1 2.855 0.024 A 101 ASP HBx H 1 2.712 0.024 A 101 ASP C C 13 178.440 0.15 A 101 ASP CA C 13 57.435 0.15 A 101 ASP CB C 13 40.148 0.15 A 101 ASP N N 15 119.811 0.12 A 102 TYR H H 1 8.111 0.024 A 102 TYR HA H 1 4.289 0.024 A 102 TYR HBy H 1 3.202 0.024 A 102 TYR HBx H 1 2.959 0.024 A 102 TYR HDx H 1 6.875 0.024 A 102 TYR HDy H 1 6.875 0.024 A 102 TYR C C 13 176.620 0.15 A 102 TYR CA C 13 61.104 0.15 A 102 TYR CB C 13 37.673 0.15 A 102 TYR CDx C 13 134.123 0.15 A 102 TYR N N 15 123.522 0.12 A 103 LEU H H 1 8.084 0.024 A 103 LEU HA H 1 3.303 0.024 A 103 LEU HBy H 1 1.622 0.024 A 103 LEU HBx H 1 1.067 0.024 A 103 LEU HDx% H 1 0.607 0.024 A 103 LEU HDy% H 1 0.365 0.024 A 103 LEU HG H 1 0.947 0.024 A 103 LEU C C 13 180.897 0.15 A 103 LEU CA C 13 57.591 0.15 A 103 LEU CB C 13 41.045 0.15 A 103 LEU CDy C 13 25.672 0.15 A 103 LEU CDx C 13 22.288 0.15 A 103 LEU CG C 13 25.847 0.15 A 103 LEU N N 15 117.756 0.12 A 104 ALA H H 1 7.703 0.024 A 104 ALA HA H 1 4.063 0.024 A 104 ALA HB% H 1 1.434 0.024 A 104 ALA C C 13 180.511 0.15 A 104 ALA CA C 13 54.834 0.15 A 104 ALA CB C 13 18.067 0.15 A 104 ALA N N 15 121.778 0.12 A 105 GLU H H 1 8.064 0.024 A 105 GLU HA H 1 3.891 0.024 A 105 GLU HBx H 1 1.914 0.024 A 105 GLU HBy H 1 2.091 0.024 A 105 GLU HGy H 1 2.338 0.024 A 105 GLU HGx H 1 2.241 0.024 A 105 GLU C C 13 179.995 0.15 A 105 GLU CA C 13 59.159 0.15 A 105 GLU CB C 13 29.163 0.15 A 105 GLU CG C 13 36.133 0.15 A 105 GLU N N 15 122.293 0.12 A 106 LEU H H 1 8.284 0.024 A 106 LEU HA H 1 3.463 0.024 A 106 LEU HBx H 1 1.203 0.024 A 106 LEU HBy H 1 1.310 0.024 A 106 LEU HDx% H 1 0.480 0.024 A 106 LEU HDy% H 1 0.797 0.024 A 106 LEU HG H 1 0.449 0.024 A 106 LEU C C 13 179.062 0.15 A 106 LEU CA C 13 58.234 0.15 A 106 LEU CB C 13 41.787 0.15 A 106 LEU CDx C 13 23.932 0.15 A 106 LEU CDy C 13 25.526 0.15 A 106 LEU CG C 13 27.302 0.15 A 106 LEU N N 15 120.364 0.12 A 107 ALA H H 1 7.459 0.024 A 107 ALA HA H 1 4.057 0.024 A 107 ALA HB% H 1 1.379 0.024 A 107 ALA C C 13 181.698 0.15 A 107 ALA CA C 13 54.815 0.15 A 107 ALA CB C 13 17.872 0.15 A 107 ALA N N 15 119.446 0.12 A 108 SER H H 1 7.975 0.024 A 108 SER HA H 1 4.077 0.024 A 108 SER HBx H 1 3.844 0.024 A 108 SER HBy H 1 3.859 0.024 A 108 SER C C 13 175.542 0.15 A 108 SER CA C 13 61.178 0.15 A 108 SER CB C 13 62.936 0.15 A 108 SER N N 15 114.612 0.12 A 109 ALA H H 1 7.628 0.024 A 109 ALA HA H 1 4.231 0.024 A 109 ALA HB% H 1 1.215 0.024 A 109 ALA C C 13 177.677 0.15 A 109 ALA CA C 13 52.109 0.15 A 109 ALA CB C 13 19.818 0.15 A 109 ALA N N 15 120.621 0.12 A 110 GLY H H 1 7.712 0.024 A 110 GLY HAx H 1 3.788 0.024 A 110 GLY HAy H 1 3.788 0.024 A 110 GLY C C 13 174.719 0.15 A 110 GLY CA C 13 46.570 0.15 A 110 GLY N N 15 108.208 0.12 A 111 LYS H H 1 7.568 0.024 A 111 LYS HA H 1 4.399 0.024 A 111 LYS HBx H 1 1.142 0.024 A 111 LYS HDx H 1 0.423 0.024 A 111 LYS HDy H 1 0.956 0.024 A 111 LYS HEy H 1 2.536 0.024 A 111 LYS HEx H 1 2.455 0.024 A 111 LYS HGx H 1 0.632 0.024 A 111 LYS HGy H 1 0.782 0.024 A 111 LYS C C 13 174.236 0.15 A 111 LYS CA C 13 52.681 0.15 A 111 LYS CB C 13 35.617 0.15 A 111 LYS CD C 13 27.867 0.15 A 111 LYS CE C 13 42.403 0.15 A 111 LYS CG C 13 24.549 0.15 A 111 LYS N N 15 117.166 0.12 A 112 SER H H 1 8.054 0.024 A 112 SER HA H 1 4.742 0.024 A 112 SER HBy H 1 3.769 0.024 A 112 SER HBx H 1 3.628 0.024 A 112 SER C C 13 175.243 0.15 A 112 SER CA C 13 55.849 0.15 A 112 SER CB C 13 65.178 0.15 A 112 SER N N 15 112.008 0.12 A 113 ARG H H 1 8.885 0.024 A 113 ARG HA H 1 4.553 0.024 A 113 ARG HBy H 1 2.433 0.024 A 113 ARG HBx H 1 1.517 0.024 A 113 ARG HDy H 1 3.233 0.024 A 113 ARG HDx H 1 3.158 0.024 A 113 ARG HE H 1 9.549 0.024 A 113 ARG HGy H 1 1.940 0.024 A 113 ARG HGx H 1 1.760 0.024 A 113 ARG C C 13 176.728 0.15 A 113 ARG CA C 13 57.918 0.15 A 113 ARG CB C 13 32.834 0.15 A 113 ARG CD C 13 44.948 0.15 A 113 ARG CG C 13 26.225 0.15 A 113 ARG N N 15 124.650 0.12 A 113 ARG NE N 15 83.909 0.12 A 114 ASP H H 1 8.445 0.024 A 114 ASP HA H 1 4.575 0.024 A 114 ASP HBy H 1 2.776 0.024 A 114 ASP HBx H 1 2.431 0.024 A 114 ASP CA C 13 51.886 0.15 A 114 ASP CB C 13 41.586 0.15 A 114 ASP N N 15 118.329 0.12 A 115 PRO HA H 1 4.412 0.024 A 115 PRO HBx H 1 2.029 0.024 A 115 PRO HBy H 1 2.383 0.024 A 115 PRO HDy H 1 3.980 0.024 A 115 PRO HDx H 1 3.679 0.024 A 115 PRO HGx H 1 1.950 0.024 A 115 PRO HGy H 1 2.073 0.024 A 115 PRO C C 13 176.865 0.15 A 115 PRO CA C 13 63.753 0.15 A 115 PRO CB C 13 32.270 0.15 A 115 PRO CD C 13 50.915 0.15 A 115 PRO CG C 13 27.141 0.15 A 116 ASP H H 1 8.438 0.024 A 116 ASP HA H 1 4.583 0.024 A 116 ASP HBy H 1 2.711 0.024 A 116 ASP HBx H 1 2.556 0.024 A 116 ASP C C 13 176.487 0.15 A 116 ASP CA C 13 54.722 0.15 A 116 ASP CB C 13 41.175 0.15 A 116 ASP N N 15 120.224 0.12 A 117 GLU H H 1 7.915 0.024 A 117 GLU HA H 1 4.214 0.024 A 117 GLU HBx H 1 1.906 0.024 A 117 GLU HBy H 1 2.055 0.024 A 117 GLU HGy H 1 2.219 0.024 A 117 GLU HGx H 1 2.164 0.024 A 117 GLU C C 13 176.418 0.15 A 117 GLU CA C 13 56.696 0.15 A 117 GLU CB C 13 30.162 0.15 A 117 GLU CG C 13 36.450 0.15 A 117 GLU N N 15 121.155 0.12 A 118 SER H H 1 8.248 0.024 A 118 SER HA H 1 4.383 0.024 A 118 SER HBx H 1 3.816 0.024 A 118 SER HBy H 1 3.816 0.024 A 118 SER C C 13 174.313 0.15 A 118 SER CA C 13 58.641 0.15 A 118 SER CB C 13 63.780 0.15 A 118 SER N N 15 117.038 0.12 A 119 VAL H H 1 7.918 0.024 A 119 VAL HA H 1 4.071 0.024 A 119 VAL HB H 1 2.004 0.024 A 119 VAL HGx% H 1 0.856 0.024 A 119 VAL HGy% H 1 0.856 0.024 A 119 VAL C C 13 175.861 0.15 A 119 VAL CA C 13 62.335 0.15 A 119 VAL CB C 13 32.944 0.15 A 119 VAL CGy C 13 20.859 0.15 A 119 VAL N N 15 121.965 0.12 A 120 VAL H H 1 8.148 0.024 A 120 VAL HA H 1 4.005 0.024 A 120 VAL HB H 1 1.955 0.024 A 120 VAL C C 13 173.586 0.15 A 120 VAL CA C 13 62.597 0.15 A 120 VAL CB C 13 32.772 0.15 A 120 VAL N N 15 125.314 0.12 A 121 LYS H H 1 7.926 0.024 A 121 LYS HA H 1 4.095 0.024 A 121 LYS HBx H 1 1.620 0.024 A 121 LYS HBy H 1 1.620 0.024 A 121 LYS HDx H 1 1.202 0.024 A 121 LYS HDy H 1 1.202 0.024 A 121 LYS HEx H 1 2.923 0.024 A 121 LYS HEy H 1 2.923 0.024 A 121 LYS HGx H 1 1.335 0.024 A 121 LYS HGy H 1 1.335 0.024 A 121 LYS CA C 13 57.499 0.15 A 121 LYS CB C 13 34.015 0.15 A 121 LYS CE C 13 42.195 0.15 A 121 LYS CG C 13 29.879 0.15 A 121 LYS N N 15 131.216 0.12 A 123 MET H H 1 8.288 0.024 A 123 MET HA H 1 4.472 0.024 A 123 MET CA C 13 55.493 0.15 A 123 MET N N 15 122.360 0.12 A 124 LEU H H 1 7.750 0.024 A 124 LEU HA H 1 4.116 0.024 A 124 LEU CA C 13 56.638 0.15 A 124 LEU N N 15 129.287 0.12 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 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 120 VAL H A 121 LYS H 1.0 . 4.26 2 2 A 121 LYS H A 120 VAL HB 1.0 . 4.96 3 3 A 121 LYS H A 119 VAL HGx% 1.0 . 4.69 4 3 A 121 LYS H A 119 VAL HGy% 1.0 . 4.69 5 4 A 99 TRP HBx A 99 TRP HE1 1.0 . 5.16 6 5 A 72 LEU H A 74 PHE HD% 1.0 . 5.50 7 6 A 50 LEU H A 51 GLN H 1.0 . 4.63 8 7 A 50 LEU H A 52 TYR HD% 1.0 . 5.50 9 8 A 50 LEU H A 49 VAL HB 1.0 . 4.02 10 9 A 50 LEU H A 50 LEU HBy 1.0 . 3.23 11 10 A 50 LEU H A 50 LEU HBx 1.0 . 3.20 12 11 A 50 LEU H A 49 VAL HGx% 1.0 . 3.79 13 11 A 50 LEU H A 49 VAL HGy% 1.0 . 3.79 14 12 A 65 ALA H A 69 ALA H 1.0 . 4.48 15 13 A 65 ALA H A 71 LYS H 1.0 . 4.28 16 14 A 65 ALA H A 64 PRO HDx 1.0 . 5.38 17 14 A 65 ALA H A 64 PRO HDy 1.0 . 5.38 18 15 A 65 ALA H A 70 LEU HBy 1.0 . 4.83 19 16 A 68 TYR HBx A 85 TRP HE1 1.0 . 5.50 20 17 A 85 TRP HE1 A 68 TYR H 1.0 . 5.16 21 18 A 85 TRP HE1 A 68 TYR HA 1.0 . 3.39 22 19 A 85 TRP HE1 A 4 ILE HG1x 1.0 . 4.47 23 20 A 69 ALA H A 85 TRP HE1 1.0 . 4.56 24 21 A 85 TRP HE1 A 68 TYR HBy 1.0 . 5.12 25 22 A 10 LEU H A 18 THR HB 1.0 . 5.50 26 23 A 10 LEU H A 10 LEU HG 1.0 . 4.67 27 24 A 10 LEU H A 10 LEU HBy 1.0 . 3.25 28 25 A 10 LEU H A 10 LEU HBx 1.0 . 3.52 29 26 A 10 LEU H A 10 LEU HDx% 1.0 . 4.74 30 27 A 10 LEU H A 9 GLN HBx 1.0 . 4.34 31 28 A 11 HIS H A 18 THR H 1.0 . 5.06 32 29 A 11 HIS H A 10 LEU HA 1.0 . 3.05 33 30 A 11 HIS H A 11 HIS HBy 1.0 . 3.64 34 31 A 11 HIS H A 11 HIS HBx 1.0 . 4.00 35 32 A 10 LEU HG A 11 HIS H 1.0 . 4.43 36 33 A 11 HIS H A 16 THR HG2% 1.0 . 5.50 37 34 A 10 LEU HBy A 11 HIS H 1.0 . 4.62 38 35 A 10 LEU HBx A 11 HIS H 1.0 . 4.60 39 36 A 17 LEU H A 30 ALA H 1.0 . 5.31 40 37 A 17 LEU H A 16 THR HA 1.0 . 3.01 41 38 A 17 LEU H A 16 THR HB 1.0 . 4.48 42 39 A 17 LEU H A 28 LEU HBy 1.0 . 4.52 43 40 A 17 LEU H A 17 LEU HBy 1.0 . 3.56 44 41 A 17 LEU H A 17 LEU HBx 1.0 . 3.31 45 42 A 17 LEU H A 17 LEU HDy% 1.0 . 4.46 46 43 A 17 LEU H A 16 THR H 1.0 . 5.03 47 44 A 39 SER HBx A 40 ALA H 1.0 . 4.24 48 45 A 2 MET HA A 4 ILE H 1.0 . 5.50 49 46 A 4 ILE H A 4 ILE HB 1.0 . 3.12 50 47 A 4 ILE H A 4 ILE HG2% 1.0 . 3.89 51 48 A 22 GLY H A 23 GLU H 1.0 . 5.12 52 49 A 23 GLU H A 22 GLY HAx 1.0 . 2.96 53 50 A 23 GLU H A 23 GLU HBx 1.0 . 3.31 54 51 A 18 THR H A 9 GLN H 1.0 . 3.89 55 52 A 18 THR H A 17 LEU H 1.0 . 5.50 56 53 A 18 THR H A 10 LEU HA 1.0 . 4.32 57 54 A 18 THR HB A 18 THR H 1.0 . 3.28 58 55 A 18 THR H A 17 LEU HBx 1.0 . 4.17 59 56 A 18 THR H A 8 ILE HA 1.0 . 4.90 60 57 A 19 LEU H A 26 TYR HD% 1.0 . 5.50 61 58 A 19 LEU H A 19 LEU HG 1.0 . 4.23 62 59 A 19 LEU H A 19 LEU HBx 1.0 . 4.19 63 60 A 18 THR HB A 19 LEU H 1.0 . 4.62 64 61 A 19 LEU H A 19 LEU HDy% 1.0 . 4.62 65 62 A 19 LEU H A 20 ARG H 1.0 . 5.03 66 63 A 19 LEU H A 26 TYR HBx 1.0 . 5.36 67 64 A 78 HIS HBx A 79 ASP H 1.0 . 5.50 68 65 A 30 ALA H A 31 GLU H 1.0 . 3.83 69 66 A 30 ALA H A 15 LYS HBy 1.0 . 5.43 70 67 A 30 ALA H A 29 PRO HGy 1.0 . 4.66 71 68 A 30 ALA H A 29 PRO HBx 1.0 . 4.55 72 69 A 30 ALA H A 59 LEU HDx% 1.0 . 5.50 73 70 A 51 GLN H A 35 VAL HA 1.0 . 5.30 74 71 A 51 GLN H A 52 TYR H 1.0 . 4.58 75 72 A 51 GLN H A 51 GLN HBy 1.0 . 3.74 76 73 A 51 GLN H A 50 LEU HG 1.0 . 4.26 77 74 A 22 GLY H A 21 TYR H 1.0 . 4.71 78 75 A 21 TYR H A 24 ASP H 1.0 . 4.92 79 76 A 21 TYR H A 20 ARG HBx 1.0 . 4.66 80 77 A 120 VAL H A 119 VAL HGx% 1.0 . 4.04 81 77 A 120 VAL H A 119 VAL HGy% 1.0 . 4.04 82 78 A 21 TYR H A 89 TYR HD% 1.0 . 3.87 83 79 A 21 TYR H A 20 ARG HA 1.0 . 2.97 84 80 A 21 TYR H A 21 TYR HBy 1.0 . 3.83 85 81 A 19 LEU HBx A 21 TYR H 1.0 . 4.02 86 82 A 9 GLN H A 8 ILE HA 1.0 . 2.83 87 83 A 18 THR HB A 9 GLN H 1.0 . 3.77 88 84 A 112 SER HA A 113 ARG H 1.0 . 3.11 89 85 A 9 GLN H A 9 GLN HBy 1.0 . 3.32 90 86 A 9 GLN HBx A 9 GLN H 1.0 . 3.36 91 87 A 17 LEU H A 28 LEU H 1.0 . 3.96 92 88 A 28 LEU H A 29 PRO HDy 1.0 . 5.44 93 89 A 28 LEU H A 29 PRO HDx 1.0 . 5.50 94 90 A 28 LEU HBy A 28 LEU H 1.0 . 3.49 95 91 A 17 LEU HBy A 28 LEU H 1.0 . 4.73 96 92 A 28 LEU H A 28 LEU HDy% 1.0 . 3.96 97 93 A 113 ARG H A 112 SER HBx 1.0 . 4.36 98 94 A 113 ARG H A 113 ARG HBy 1.0 . 3.96 99 95 A 11 HIS HBy A 12 LYS H 1.0 . 5.05 100 96 A 11 HIS HBx A 12 LYS H 1.0 . 4.79 101 97 A 12 LYS H A 12 LYS HBx 1.0 . 3.46 102 98 A 12 LYS H A 12 LYS HGy 1.0 . 4.15 103 99 A 12 LYS H A 10 LEU HDy% 1.0 . 5.40 104 100 A 4 ILE H A 3 ARG H 1.0 . 4.05 105 101 A 3 ARG H A 85 TRP HBy 1.0 . 4.67 106 102 A 3 ARG H A 85 TRP HBx 1.0 . 4.98 107 103 A 3 ARG H A 3 ARG HBx 1.0 . 3.18 108 103 A 3 ARG H A 3 ARG HBy 1.0 . 3.18 109 104 A 3 ARG H A 3 ARG HGx 1.0 . 3.74 110 104 A 3 ARG H A 3 ARG HGy 1.0 . 3.74 111 105 A 4 ILE HG1x A 3 ARG H 1.0 . 5.50 112 106 A 71 LYS H A 63 GLU H 1.0 . 3.76 113 107 A 63 GLU H A 70 LEU HA 1.0 . 5.13 114 108 A 63 GLU H A 63 GLU HGy 1.0 . 4.01 115 109 A 63 GLU H A 63 GLU HBy 1.0 . 4.00 116 110 A 63 GLU H A 71 LYS HBx 1.0 . 4.94 117 111 A 63 GLU H A 62 VAL HGx% 1.0 . 3.88 118 111 A 63 GLU H A 62 VAL HGy% 1.0 . 3.88 119 112 A 63 GLU H A 72 LEU HDy% 1.0 . 5.42 120 113 A 63 GLU H A 64 PRO HDx 1.0 . 4.70 121 113 A 64 PRO HDy A 63 GLU H 1.0 . 4.70 122 114 A 74 PHE H A 79 ASP HBx 1.0 . 5.30 123 114 A 74 PHE H A 79 ASP HBy 1.0 . 5.30 124 115 A 74 PHE HD% A 74 PHE H 1.0 . 5.25 125 116 A 100 ALA HA A 102 TYR H 1.0 . 5.42 126 117 A 102 TYR H A 102 TYR HBx 1.0 . 3.34 127 118 A 74 PHE H A 60 VAL HGy% 1.0 . 5.50 128 119 A 102 TYR H A 102 TYR HD% 1.0 . 5.05 129 120 A 102 TYR H A 99 TRP H 1.0 . 5.50 130 121 A 102 TYR H A 101 ASP HBx 1.0 . 4.13 131 122 A 102 TYR H A 98 LEU HDy% 1.0 . 5.50 132 123 A 87 TYR H A 88 LEU HDx% 1.0 . 5.50 133 123 A 87 TYR H A 88 LEU HDy% 1.0 . 5.50 134 124 A 87 TYR H A 87 TYR HD% 1.0 . 4.40 135 125 A 87 TYR H A 87 TYR HBy 1.0 . 3.29 136 126 A 87 TYR H A 87 TYR HBx 1.0 . 3.37 137 127 A 87 TYR H A 86 ASP HBx 1.0 . 3.80 138 128 A 87 TYR H A 84 THR HG2% 1.0 . 5.50 139 129 A 54 LYS HA A 57 VAL H 1.0 . 4.69 140 130 A 57 VAL H A 56 ASN HBx 1.0 . 5.25 141 131 A 57 VAL H A 56 ASN H 1.0 . 3.67 142 132 A 57 VAL H A 54 LYS HBx 1.0 . 5.07 143 133 A 28 LEU H A 27 ASP H 1.0 . 4.71 144 134 A 27 ASP H A 26 TYR HBy 1.0 . 3.86 145 135 A 27 ASP H A 27 ASP HBy 1.0 . 3.24 146 136 A 27 ASP H A 27 ASP HBx 1.0 . 3.72 147 137 A 27 ASP H A 28 LEU HDx% 1.0 . 5.50 148 138 A 27 ASP H A 18 THR HA 1.0 . 5.49 149 139 A 27 ASP H A 28 LEU HG 1.0 . 5.50 150 140 A 25 SER H A 26 TYR H 1.0 . 4.82 151 141 A 26 TYR H A 26 TYR HE% 1.0 . 5.49 152 142 A 18 THR HA A 26 TYR H 1.0 . 5.50 153 143 A 26 TYR HBx A 26 TYR H 1.0 . 3.69 154 144 A 26 TYR H A 18 THR HG2% 1.0 . 4.51 155 145 A 27 ASP H A 26 TYR H 1.0 . 5.22 156 146 A 26 TYR H A 19 LEU HBy 1.0 . 4.91 157 147 A 26 TYR H A 92 ALA HB% 1.0 . 5.44 158 148 A 95 LYS H A 97 GLN H 1.0 . 5.50 159 149 A 98 LEU HDy% A 97 GLN H 1.0 . 5.50 160 150 A 97 GLN H A 98 LEU H 1.0 . 3.32 161 151 A 97 GLN H A 94 ARG HA 1.0 . 4.72 162 152 A 97 GLN H A 96 ASP HBy 1.0 . 4.09 163 153 A 97 GLN H A 96 ASP HBx 1.0 . 3.74 164 154 A 97 GLN H A 97 GLN HGx 1.0 . 4.07 165 154 A 97 GLN H A 97 GLN HGy 1.0 . 4.07 166 155 A 97 GLN H A 97 GLN HBy 1.0 . 3.07 167 156 A 104 ALA H A 105 GLU H 1.0 . 3.27 168 157 A 105 GLU H A 107 ALA H 1.0 . 4.48 169 158 A 105 GLU H A 102 TYR HA 1.0 . 4.08 170 159 A 105 GLU H A 105 GLU HBy 1.0 . 3.22 171 160 A 105 GLU H A 50 LEU HDy% 1.0 . 5.47 172 161 A 105 GLU H A 103 LEU HA 1.0 . 5.50 173 162 A 105 GLU H A 106 LEU HA 1.0 . 5.50 174 163 A 71 LYS H A 72 LEU HDx% 1.0 . 5.50 175 164 A 90 GLU H A 93 THR HG2% 1.0 . 5.50 176 165 A 87 TYR HD% A 90 GLU H 1.0 . 5.50 177 166 A 90 GLU H A 21 TYR HD% 1.0 . 4.47 178 167 A 90 GLU H A 21 TYR HE% 1.0 . 5.50 179 168 A 90 GLU H A 87 TYR HA 1.0 . 4.08 180 169 A 90 GLU H A 89 TYR HBx 1.0 . 3.61 181 169 A 90 GLU H A 89 TYR HBy 1.0 . 3.61 182 170 A 90 GLU H A 90 GLU HBy 1.0 . 3.06 183 171 A 90 GLU H A 91 LEU HG 1.0 . 5.01 184 172 A 42 VAL H A 43 GLN H 1.0 . 3.36 185 173 A 43 GLN H A 42 VAL HGx% 1.0 . 3.97 186 173 A 43 GLN H A 42 VAL HGy% 1.0 . 3.97 187 174 A 120 VAL H A 119 VAL H 1.0 . 4.36 188 175 A 119 VAL H A 119 VAL HGx% 1.0 . 3.96 189 175 A 119 VAL HGy% A 119 VAL H 1.0 . 3.96 190 176 A 20 ARG H A 7 ALA H 1.0 . 3.76 191 177 A 20 ARG H A 5 PRO HA 1.0 . 5.28 192 178 A 20 ARG H A 20 ARG HBy 1.0 . 3.66 193 179 A 20 ARG H A 20 ARG HBx 1.0 . 3.44 194 180 A 19 LEU HBx A 20 ARG H 1.0 . 3.65 195 181 A 20 ARG H A 21 TYR H 1.0 . 4.37 196 182 A 104 ALA H A 105 GLU HBy 1.0 . 5.40 197 183 A 99 TRP H A 98 LEU H 1.0 . 3.56 198 184 A 99 TRP H A 97 GLN H 1.0 . 4.58 199 185 A 99 TRP H A 99 TRP HD1 1.0 . 5.50 200 186 A 99 TRP H A 32 PHE HE% 1.0 . 4.06 201 186 A 99 TRP H A 32 PHE HD% 1.0 . 4.06 202 187 A 99 TRP H A 97 GLN HA 1.0 . 5.50 203 188 A 99 TRP HBx A 99 TRP H 1.0 . 3.14 204 189 A 99 TRP H A 98 LEU HBy 1.0 . 3.95 205 190 A 99 TRP H A 98 LEU HBx 1.0 . 4.04 206 191 A 99 TRP H A 98 LEU HDy% 1.0 . 5.50 207 192 A 99 TRP H A 95 LYS HGy 1.0 . 5.50 208 193 A 104 ALA H A 101 ASP H 1.0 . 5.50 209 194 A 104 ALA H A 106 LEU H 1.0 . 4.75 210 195 A 104 ALA H A 103 LEU H 1.0 . 2.98 211 196 A 100 ALA HA A 104 ALA H 1.0 . 4.82 212 197 A 15 LYS HBx A 59 LEU H 1.0 . 5.50 213 198 A 104 ALA H A 103 LEU HBy 1.0 . 3.64 214 199 A 49 VAL H A 51 GLN HE2y 1.0 . 5.50 215 200 A 49 VAL H A 48 PRO HDx 1.0 . 5.50 216 201 A 49 VAL H A 49 VAL HGx% 1.0 . 3.37 217 201 A 49 VAL HGy% A 49 VAL H 1.0 . 3.37 218 202 A 49 VAL H A 51 GLN HE2x 1.0 . 5.47 219 203 A 59 LEU H A 59 LEU HBx 1.0 . 3.67 220 204 A 59 LEU H A 58 GLY H 1.0 . 5.50 221 205 A 117 GLU H A 118 SER H 1.0 . 4.27 222 206 A 117 GLU H A 116 ASP HBx 1.0 . 4.65 223 207 A 117 GLU H A 117 GLU HBy 1.0 . 3.55 224 208 A 117 GLU H A 114 ASP HBx 1.0 . 5.05 225 209 A 117 GLU H A 115 PRO HA 1.0 . 4.79 226 210 A 117 GLU H A 115 PRO HDy 1.0 . 5.50 227 211 A 117 GLU H A 117 GLU HGy 1.0 . 4.09 228 212 A 117 GLU H A 116 ASP H 1.0 . 3.37 229 213 A 74 PHE H A 78 HIS H 1.0 . 4.79 230 214 A 78 HIS H A 78 HIS HBy 1.0 . 3.44 231 215 A 78 HIS HBx A 78 HIS H 1.0 . 3.44 232 216 A 78 HIS H A 78 HIS HD2 1.0 . 5.50 233 217 A 95 LYS H A 94 ARG HBy 1.0 . 5.40 234 218 A 95 LYS H A 32 PHE HD% 1.0 . 5.14 235 218 A 95 LYS H A 32 PHE HE% 1.0 . 5.14 236 219 A 14 SER H A 15 LYS H 1.0 . 3.29 237 220 A 15 LYS H A 15 LYS HGy 1.0 . 4.09 238 221 A 15 LYS H A 15 LYS HGx 1.0 . 3.78 239 222 A 95 LYS H A 93 THR H 1.0 . 4.89 240 223 A 95 LYS H A 93 THR HA 1.0 . 4.38 241 224 A 108 SER H A 109 ALA H 1.0 . 3.20 242 225 A 109 ALA H A 108 SER HBy 1.0 . 3.35 243 226 A 106 LEU HA A 109 ALA H 1.0 . 4.26 244 227 A 109 ALA H A 107 ALA HB% 1.0 . 4.84 245 228 A 109 ALA H A 50 LEU HDx% 1.0 . 5.25 246 229 A 58 GLY H A 75 ASP H 1.0 . 4.22 247 230 A 74 PHE H A 75 ASP H 1.0 . 5.50 248 231 A 75 ASP H A 74 PHE HBx 1.0 . 3.63 249 232 A 75 ASP H A 75 ASP HBx 1.0 . 4.02 250 233 A 60 VAL HGy% A 75 ASP H 1.0 . 4.55 251 234 A 75 ASP H A 57 VAL HA 1.0 . 5.50 252 235 A 55 LEU H A 113 ARG HA 1.0 . 4.42 253 236 A 55 LEU H A 55 LEU HBy 1.0 . 3.25 254 237 A 55 LEU H A 55 LEU HBx 1.0 . 3.45 255 238 A 113 ARG HBy A 55 LEU H 1.0 . 5.05 256 239 A 55 LEU H A 54 LYS HBy 1.0 . 5.05 257 240 A 107 ALA H A 109 ALA H 1.0 . 4.16 258 241 A 105 GLU H A 106 LEU H 1.0 . 3.42 259 242 A 106 LEU H A 105 GLU HBx 1.0 . 3.93 260 243 A 106 LEU H A 106 LEU HBy 1.0 . 3.31 261 244 A 106 LEU H A 106 LEU HDy% 1.0 . 3.73 262 245 A 106 LEU H A 50 LEU HDx% 1.0 . 4.98 263 246 A 9 GLN H A 8 ILE H 1.0 . 4.67 264 247 A 7 ALA H A 8 ILE H 1.0 . 4.64 265 248 A 8 ILE H A 9 GLN HGx 1.0 . 5.10 266 248 A 8 ILE H A 9 GLN HGy 1.0 . 5.10 267 249 A 8 ILE H A 8 ILE HG1y 1.0 . 3.91 268 250 A 8 ILE H A 7 ALA HB% 1.0 . 3.65 269 251 A 24 ASP H A 20 ARG HA 1.0 . 5.50 270 252 A 23 GLU H A 24 ASP H 1.0 . 2.92 271 253 A 24 ASP H A 24 ASP HBy 1.0 . 3.19 272 254 A 24 ASP H A 24 ASP HBx 1.0 . 3.69 273 255 A 24 ASP H A 23 GLU HGx 1.0 . 5.50 274 256 A 23 GLU HBx A 24 ASP H 1.0 . 4.12 275 257 A 24 ASP H A 20 ARG HGx 1.0 . 5.50 276 258 A 99 TRP H A 100 ALA H 1.0 . 3.45 277 259 A 97 GLN HA A 100 ALA H 1.0 . 3.97 278 260 A 99 TRP HBx A 100 ALA H 1.0 . 3.41 279 261 A 100 ALA H A 103 LEU HDx% 1.0 . 5.50 280 262 A 7 ALA H A 6 SER H 1.0 . 3.06 281 263 A 7 ALA H A 89 TYR HE% 1.0 . 5.50 282 264 A 7 ALA H A 5 PRO HA 1.0 . 3.79 283 265 A 7 ALA H A 6 SER HBx 1.0 . 3.95 284 266 A 7 ALA H A 20 ARG HBy 1.0 . 3.76 285 267 A 116 ASP HBx A 116 ASP H 1.0 . 3.27 286 268 A 116 ASP H A 115 PRO HBy 1.0 . 4.29 287 269 A 116 ASP H A 115 PRO HBx 1.0 . 3.89 288 270 A 116 ASP H A 115 PRO HGx 1.0 . 3.93 289 271 A 93 THR H A 94 ARG H 1.0 . 3.28 290 272 A 95 LYS H A 94 ARG H 1.0 . 3.22 291 273 A 94 ARG H A 93 THR HB 1.0 . 5.07 292 274 A 94 ARG HBy A 94 ARG H 1.0 . 3.96 293 275 A 94 ARG H A 94 ARG HGy 1.0 . 3.34 294 276 A 94 ARG H A 94 ARG HGx 1.0 . 4.06 295 277 A 92 ALA HB% A 94 ARG H 1.0 . 5.30 296 278 A 74 PHE HD% A 60 VAL H 1.0 . 5.50 297 279 A 60 VAL H A 60 VAL HB 1.0 . 3.94 298 280 A 59 LEU HBx A 60 VAL H 1.0 . 4.08 299 281 A 101 ASP H A 99 TRP HA 1.0 . 5.16 300 282 A 99 TRP H A 101 ASP H 1.0 . 5.16 301 283 A 102 TYR H A 101 ASP H 1.0 . 3.48 302 284 A 101 ASP H A 100 ALA H 1.0 . 3.36 303 285 A 101 ASP H A 98 LEU HA 1.0 . 3.93 304 286 A 97 GLN HA A 101 ASP H 1.0 . 4.84 305 287 A 101 ASP H A 101 ASP HBy 1.0 . 3.27 306 288 A 101 ASP HBx A 101 ASP H 1.0 . 3.59 307 289 A 98 LEU HDy% A 101 ASP H 1.0 . 5.50 308 290 A 33 LEU H A 34 ARG H 1.0 . 3.86 309 291 A 33 LEU H A 32 PHE H 1.0 . 3.76 310 292 A 33 LEU H A 33 LEU HBy 1.0 . 3.67 311 293 A 33 LEU H A 32 PHE HE% 1.0 . 4.57 312 293 A 33 LEU H A 32 PHE HD% 1.0 . 4.57 313 294 A 33 LEU H A 32 PHE HBy 1.0 . 4.01 314 295 A 33 LEU H A 32 PHE HBx 1.0 . 4.47 315 296 A 33 LEU H A 33 LEU HG 1.0 . 3.67 316 297 A 33 LEU H A 31 GLU HA 1.0 . 5.50 317 298 A 98 LEU H A 100 ALA H 1.0 . 4.89 318 299 A 98 LEU H A 98 LEU HBx 1.0 . 3.71 319 300 A 67 GLN H A 68 TYR HE% 1.0 . 5.04 320 301 A 67 GLN H A 66 GLY HAx 1.0 . 3.39 321 302 A 67 GLN H A 67 GLN HBx 1.0 . 3.64 322 303 A 68 TYR HBx A 67 GLN H 1.0 . 5.50 323 304 A 52 TYR H A 53 GLY H 1.0 . 4.95 324 305 A 52 TYR H A 51 GLN HA 1.0 . 2.85 325 306 A 52 TYR H A 51 GLN HGy 1.0 . 5.50 326 307 A 52 TYR H A 51 GLN HBx 1.0 . 4.34 327 308 A 52 TYR H A 50 LEU HDx% 1.0 . 5.50 328 309 A 52 TYR H A 106 LEU HDx% 1.0 . 5.50 329 310 A 39 SER HBx A 42 VAL H 1.0 . 5.03 330 311 A 42 VAL H A 40 ALA HB% 1.0 . 5.24 331 312 A 98 LEU H A 32 PHE HE% 1.0 . 4.76 332 312 A 98 LEU H A 32 PHE HD% 1.0 . 4.76 333 313 A 98 LEU H A 97 GLN HBy 1.0 . 3.94 334 314 A 98 LEU H A 98 LEU HBy 1.0 . 3.43 335 315 A 42 VAL H A 42 VAL HB 1.0 . 3.16 336 316 A 42 VAL H A 42 VAL HGx% 1.0 . 3.52 337 316 A 42 VAL H A 42 VAL HGy% 1.0 . 3.52 338 317 A 47 ASN H A 47 ASN HBy 1.0 . 3.81 339 318 A 47 ASN H A 47 ASN HBx 1.0 . 3.32 340 319 A 107 ALA H A 106 LEU H 1.0 . 3.47 341 320 A 107 ALA H A 105 GLU HBx 1.0 . 5.50 342 321 A 107 ALA H A 106 LEU HDy% 1.0 . 5.29 343 322 A 107 ALA H A 106 LEU HDx% 1.0 . 4.84 344 323 A 107 ALA H A 105 GLU HA 1.0 . 4.45 345 324 A 107 ALA H A 105 GLU HBy 1.0 . 5.50 346 325 A 63 GLU H A 62 VAL H 1.0 . 4.86 347 326 A 62 VAL H A 61 GLY HAx 1.0 . 2.93 348 327 A 62 VAL H A 62 VAL HGx% 1.0 . 3.75 349 327 A 62 VAL HGy% A 62 VAL H 1.0 . 3.75 350 328 A 70 LEU H A 70 LEU HBy 1.0 . 4.00 351 329 A 71 LYS H A 70 LEU H 1.0 . 5.50 352 330 A 69 ALA H A 70 LEU H 1.0 . 5.50 353 331 A 40 ALA H A 41 GLU H 1.0 . 3.44 354 332 A 42 VAL H A 41 GLU H 1.0 . 3.63 355 333 A 41 GLU H A 41 GLU HA 1.0 . 2.88 356 334 A 41 GLU H A 42 VAL HA 1.0 . 5.16 357 335 A 39 SER HBx A 41 GLU H 1.0 . 4.24 358 336 A 41 GLU H A 41 GLU HGy 1.0 . 3.78 359 337 A 41 GLU H A 41 GLU HBx 1.0 . 3.18 360 338 A 41 GLU H A 42 VAL HGx% 1.0 . 5.12 361 338 A 42 VAL HGy% A 41 GLU H 1.0 . 5.12 362 339 A 69 ALA H A 67 GLN H 1.0 . 4.97 363 340 A 69 ALA H A 68 TYR HD% 1.0 . 5.50 364 341 A 20 ARG H A 6 SER H 1.0 . 4.83 365 342 A 5 PRO HA A 6 SER H 1.0 . 2.97 366 343 A 6 SER H A 6 SER HBx 1.0 . 3.76 367 344 A 6 SER H A 5 PRO HBx 1.0 . 3.75 368 345 A 86 ASP H A 88 LEU H 1.0 . 4.34 369 346 A 87 TYR H A 86 ASP H 1.0 . 3.34 370 347 A 86 ASP H A 85 TRP H 1.0 . 3.68 371 348 A 85 TRP HBy A 86 ASP H 1.0 . 4.00 372 349 A 85 TRP HBx A 86 ASP H 1.0 . 3.51 373 350 A 86 ASP HBx A 86 ASP H 1.0 . 3.25 374 351 A 85 TRP H A 85 TRP HD1 1.0 . 5.12 375 352 A 85 TRP H A 84 THR HB 1.0 . 3.92 376 353 A 85 TRP HBx A 85 TRP H 1.0 . 3.84 377 354 A 85 TRP H A 88 LEU HDx% 1.0 . 5.50 378 354 A 88 LEU HDy% A 85 TRP H 1.0 . 5.50 379 355 A 69 ALA H A 85 TRP H 1.0 . 5.50 380 356 A 69 ALA H A 68 TYR HBy 1.0 . 4.99 381 357 A 69 ALA H A 70 LEU HDy% 1.0 . 5.50 382 358 A 6 SER H A 89 TYR HE% 1.0 . 5.50 383 359 A 106 LEU HDx% A 114 ASP H 1.0 . 5.50 384 360 A 113 ARG H A 114 ASP H 1.0 . 3.27 385 361 A 112 SER HBx A 114 ASP H 1.0 . 3.70 386 362 A 114 ASP H A 114 ASP HBy 1.0 . 3.29 387 363 A 113 ARG HBy A 114 ASP H 1.0 . 4.33 388 364 A 114 ASP H A 117 GLU HBx 1.0 . 5.39 389 365 A 114 ASP H A 113 ARG HGx 1.0 . 5.50 390 366 A 114 ASP H A 113 ARG HBx 1.0 . 4.48 391 367 A 114 ASP H A 55 LEU HDx% 1.0 . 5.03 392 368 A 31 GLU H A 32 PHE H 1.0 . 4.08 393 369 A 31 GLU H A 31 GLU HBy 1.0 . 3.59 394 370 A 31 GLU H A 31 GLU HBx 1.0 . 3.68 395 371 A 31 GLU H A 57 VAL HGx% 1.0 . 5.00 396 372 A 45 HIS H A 45 HIS HBx 1.0 . 4.19 397 373 A 45 HIS H A 43 GLN HBx 1.0 . 5.50 398 373 A 45 HIS H A 43 GLN HBy 1.0 . 5.50 399 374 A 87 TYR H A 88 LEU H 1.0 . 3.20 400 375 A 90 GLU H A 88 LEU H 1.0 . 4.97 401 376 A 87 TYR HD% A 88 LEU H 1.0 . 4.72 402 377 A 88 LEU H A 85 TRP HA 1.0 . 4.41 403 378 A 87 TYR HBy A 88 LEU H 1.0 . 4.05 404 379 A 87 TYR HBx A 88 LEU H 1.0 . 4.26 405 380 A 88 LEU H A 88 LEU HBy 1.0 . 3.44 406 381 A 88 LEU H A 88 LEU HG 1.0 . 3.72 407 382 A 88 LEU H A 88 LEU HDx% 1.0 . 4.25 408 382 A 88 LEU HDy% A 88 LEU H 1.0 . 4.25 409 383 A 102 TYR HD% A 103 LEU H 1.0 . 5.50 410 384 A 103 LEU H A 103 LEU HBy 1.0 . 3.52 411 385 A 103 LEU H A 104 ALA HB% 1.0 . 5.43 412 386 A 103 LEU H A 103 LEU HDy% 1.0 . 4.34 413 387 A 103 LEU H A 99 TRP HA 1.0 . 4.80 414 388 A 102 TYR HBx A 103 LEU H 1.0 . 3.78 415 389 A 35 VAL HGx% A 37 SER H 1.0 . 5.50 416 390 A 34 ARG H A 74 PHE HE% 1.0 . 4.63 417 391 A 74 PHE HD% A 34 ARG H 1.0 . 4.21 418 392 A 34 ARG H A 33 LEU HBy 1.0 . 3.77 419 393 A 34 ARG H A 34 ARG HBy 1.0 . 3.49 420 394 A 34 ARG H A 33 LEU HBx 1.0 . 4.47 421 395 A 34 ARG H A 34 ARG HBx 1.0 . 3.68 422 396 A 37 SER H A 38 PRO HDy 1.0 . 5.41 423 397 A 37 SER H A 38 PRO HDx 1.0 . 5.50 424 398 A 37 SER H A 36 HIS HBx 1.0 . 5.19 425 399 A 37 SER H A 37 SER HBy 1.0 . 3.50 426 400 A 37 SER H A 37 SER HBx 1.0 . 3.46 427 401 A 37 SER H A 34 ARG HA 1.0 . 5.19 428 402 A 37 SER H A 35 VAL HGy% 1.0 . 5.50 429 403 A 37 SER H A 35 VAL H 1.0 . 5.18 430 404 A 37 SER H A 83 PHE HZ 1.0 . 5.33 431 405 A 37 SER H A 83 PHE HEx 1.0 . 5.50 432 406 A 76 ASP H A 76 ASP HBy 1.0 . 4.16 433 407 A 74 PHE H A 76 ASP H 1.0 . 5.44 434 408 A 76 ASP H A 74 PHE HBy 1.0 . 3.93 435 409 A 74 PHE HBx A 76 ASP H 1.0 . 3.79 436 410 A 76 ASP H A 76 ASP HBx 1.0 . 3.79 437 411 A 57 VAL HGx% A 76 ASP H 1.0 . 5.50 438 412 A 58 GLY H A 76 ASP H 1.0 . 5.49 439 413 A 75 ASP H A 76 ASP H 1.0 . 3.65 440 414 A 75 ASP HBx A 76 ASP H 1.0 . 5.23 441 415 A 60 VAL HGy% A 76 ASP H 1.0 . 5.50 442 416 A 111 LYS H A 112 SER H 1.0 . 4.55 443 417 A 111 LYS H A 110 GLY H 1.0 . 3.20 444 418 A 111 LYS H A 109 ALA HA 1.0 . 5.33 445 419 A 111 LYS H A 107 ALA HA 1.0 . 4.59 446 420 A 106 LEU HA A 111 LYS H 1.0 . 4.27 447 421 A 111 LYS H A 111 LYS HBx 1.0 . 3.26 448 422 A 111 LYS H A 111 LYS HDy 1.0 . 5.11 449 423 A 111 LYS H A 111 LYS HGy 1.0 . 3.96 450 424 A 111 LYS H A 111 LYS HGx 1.0 . 4.30 451 425 A 118 SER H A 117 GLU HGy 1.0 . 4.65 452 426 A 118 SER H A 117 GLU HBx 1.0 . 4.49 453 427 A 119 VAL H A 118 SER H 1.0 . 3.38 454 428 A 118 SER H A 117 GLU HBy 1.0 . 4.53 455 429 A 118 SER H A 119 VAL HGx% 1.0 . 5.50 456 429 A 119 VAL HGy% A 118 SER H 1.0 . 5.50 457 430 A 24 ASP H A 25 SER H 1.0 . 4.98 458 431 A 25 SER H A 24 ASP HBy 1.0 . 4.27 459 432 A 25 SER H A 24 ASP HBx 1.0 . 3.79 460 433 A 21 TYR HE% A 89 TYR H 1.0 . 5.50 461 434 A 88 LEU H A 89 TYR H 1.0 . 3.62 462 435 A 89 TYR H A 85 TRP HE3 1.0 . 5.12 463 436 A 90 GLU H A 89 TYR H 1.0 . 3.44 464 437 A 85 TRP HA A 89 TYR H 1.0 . 5.50 465 438 A 89 TYR H A 89 TYR HBx 1.0 . 3.31 466 438 A 89 TYR HBy A 89 TYR H 1.0 . 3.31 467 439 A 88 LEU HBy A 89 TYR H 1.0 . 4.20 468 440 A 89 TYR H A 88 LEU HBx 1.0 . 4.17 469 441 A 89 TYR H A 88 LEU HDx% 1.0 . 5.50 470 441 A 88 LEU HDy% A 89 TYR H 1.0 . 5.50 471 442 A 83 PHE HZ A 36 HIS H 1.0 . 5.50 472 443 A 52 TYR HD% A 54 LYS H 1.0 . 5.50 473 444 A 53 GLY H A 54 LYS H 1.0 . 3.88 474 445 A 55 LEU H A 54 LYS H 1.0 . 3.73 475 446 A 113 ARG HA A 54 LYS H 1.0 . 3.71 476 447 A 54 LYS HBy A 54 LYS H 1.0 . 3.70 477 448 A 54 LYS HBx A 54 LYS H 1.0 . 4.18 478 449 A 88 LEU H A 91 LEU H 1.0 . 5.50 479 450 A 90 GLU H A 91 LEU H 1.0 . 3.42 480 451 A 87 TYR HD% A 91 LEU H 1.0 . 4.83 481 452 A 91 LEU H A 89 TYR HA 1.0 . 5.50 482 453 A 90 GLU HBy A 91 LEU H 1.0 . 3.52 483 454 A 91 LEU H A 91 LEU HBy 1.0 . 3.55 484 455 A 91 LEU HG A 91 LEU H 1.0 . 3.26 485 456 A 34 ARG H A 36 HIS H 1.0 . 5.30 486 457 A 37 SER HBy A 36 HIS H 1.0 . 4.96 487 458 A 34 ARG HA A 36 HIS H 1.0 . 5.14 488 459 A 36 HIS HBx A 36 HIS H 1.0 . 3.56 489 460 A 98 LEU H A 96 ASP H 1.0 . 4.72 490 461 A 97 GLN H A 96 ASP H 1.0 . 3.35 491 462 A 95 LYS H A 96 ASP H 1.0 . 3.80 492 463 A 94 ARG HA A 96 ASP H 1.0 . 4.66 493 464 A 96 ASP HBy A 96 ASP H 1.0 . 3.51 494 465 A 96 ASP HBx A 96 ASP H 1.0 . 3.24 495 466 A 97 GLN HBy A 96 ASP H 1.0 . 5.45 496 467 A 96 ASP H A 95 LYS HBy 1.0 . 3.93 497 468 A 96 ASP H A 95 LYS HBx 1.0 . 3.34 498 469 A 95 LYS HGy A 96 ASP H 1.0 . 4.38 499 470 A 96 ASP H A 95 LYS HGx 1.0 . 4.57 500 471 A 40 ALA H A 39 SER H 1.0 . 4.55 501 472 A 39 SER HBx A 39 SER H 1.0 . 3.27 502 473 A 38 PRO HDy A 39 SER H 1.0 . 5.46 503 474 A 39 SER H A 38 PRO HBy 1.0 . 4.53 504 475 A 39 SER H A 38 PRO HBx 1.0 . 4.50 505 476 A 39 SER H A 42 VAL HGx% 1.0 . 5.50 506 476 A 42 VAL HGy% A 39 SER H 1.0 . 5.50 507 477 A 60 VAL H A 73 SER H 1.0 . 4.89 508 478 A 72 LEU H A 73 SER H 1.0 . 5.07 509 479 A 73 SER H A 72 LEU HA 1.0 . 3.08 510 480 A 61 GLY HAx A 73 SER H 1.0 . 5.50 511 481 A 73 SER H A 72 LEU HBx 1.0 . 4.18 512 482 A 72 LEU HDx% A 73 SER H 1.0 . 5.50 513 483 A 74 PHE H A 73 SER H 1.0 . 5.27 514 484 A 68 TYR H A 67 GLN HGx 1.0 . 4.82 515 484 A 68 TYR H A 67 GLN HGy 1.0 . 4.82 516 485 A 68 TYR H A 67 GLN H 1.0 . 3.34 517 486 A 69 ALA H A 68 TYR H 1.0 . 3.02 518 487 A 68 TYR H A 66 GLY HAx 1.0 . 4.13 519 488 A 68 TYR H A 66 GLY HAy 1.0 . 4.98 520 489 A 68 TYR HBx A 68 TYR H 1.0 . 3.89 521 490 A 68 TYR H A 67 GLN HBy 1.0 . 4.39 522 491 A 68 TYR H A 67 GLN HBx 1.0 . 4.16 523 492 A 68 TYR H A 69 ALA HB% 1.0 . 4.62 524 493 A 94 ARG HA A 94 ARG HE 1.0 . 3.83 525 494 A 94 ARG HE A 97 GLN HBx 1.0 . 4.74 526 495 A 94 ARG HE A 98 LEU HDx% 1.0 . 5.50 527 496 A 34 ARG H A 32 PHE H 1.0 . 5.23 528 497 A 32 PHE H A 32 PHE HE% 1.0 . 4.87 529 497 A 32 PHE H A 32 PHE HD% 1.0 . 4.87 530 498 A 32 PHE H A 32 PHE HBy 1.0 . 3.75 531 499 A 32 PHE H A 31 GLU HGy 1.0 . 4.50 532 500 A 32 PHE H A 29 PRO HGy 1.0 . 4.04 533 501 A 30 ALA H A 32 PHE H 1.0 . 5.50 534 502 A 94 ARG H A 92 ALA H 1.0 . 4.77 535 503 A 93 THR H A 92 ALA H 1.0 . 3.53 536 504 A 21 TYR HD% A 92 ALA H 1.0 . 5.38 537 505 A 89 TYR HA A 92 ALA H 1.0 . 4.10 538 506 A 92 ALA H A 88 LEU HA 1.0 . 5.04 539 507 A 90 GLU HBy A 92 ALA H 1.0 . 5.50 540 508 A 91 LEU HBy A 92 ALA H 1.0 . 3.57 541 509 A 92 ALA H A 91 LEU HBx 1.0 . 4.07 542 510 A 92 ALA H A 91 LEU HDx% 1.0 . 5.36 543 511 A 93 THR HG2% A 92 ALA H 1.0 . 4.81 544 512 A 101 ASP H A 97 GLN HE2y 1.0 . 5.39 545 513 A 98 LEU HA A 97 GLN HE2y 1.0 . 5.50 546 514 A 97 GLN HBy A 97 GLN HE2y 1.0 . 5.50 547 515 A 97 GLN HE2y A 100 ALA HB% 1.0 . 5.03 548 516 A 100 ALA HB% A 97 GLN HE2x 1.0 . 5.50 549 517 A 106 LEU HA A 108 SER H 1.0 . 5.45 550 518 A 108 SER H A 50 LEU HDx% 1.0 . 5.50 551 519 A 98 LEU HDy% A 97 GLN HE2y 1.0 . 5.50 552 520 A 51 GLN H A 51 GLN HE2y 1.0 . 4.94 553 521 A 49 VAL HB A 51 GLN HE2y 1.0 . 4.65 554 522 A 51 GLN HE2y A 49 VAL HGx% 1.0 . 4.23 555 522 A 49 VAL HGy% A 51 GLN HE2y 1.0 . 4.23 556 523 A 50 LEU H A 51 GLN HE2y 1.0 . 5.18 557 524 A 51 GLN HE2x A 51 GLN HA 1.0 . 5.37 558 525 A 51 GLN HE2x A 49 VAL HGx% 1.0 . 4.32 559 525 A 49 VAL HGy% A 51 GLN HE2x 1.0 . 4.32 560 526 A 106 LEU H A 108 SER H 1.0 . 5.24 561 527 A 107 ALA H A 108 SER H 1.0 . 3.34 562 528 A 108 SER H A 108 SER HBx 1.0 . 2.84 563 529 A 98 LEU HDy% A 97 GLN HE2x 1.0 . 4.91 564 530 A 21 TYR HD% A 3 ARG HE 1.0 . 5.50 565 531 A 58 GLY H A 74 PHE HA 1.0 . 5.50 566 532 A 58 GLY H A 57 VAL HGx% 1.0 . 5.00 567 533 A 57 VAL H A 58 GLY H 1.0 . 4.66 568 534 A 58 GLY H A 15 LYS HEy 1.0 . 5.50 569 535 A 58 GLY H A 30 ALA HB% 1.0 . 5.50 570 536 A 22 GLY H A 24 ASP H 1.0 . 5.50 571 537 A 22 GLY H A 89 TYR HD% 1.0 . 5.16 572 538 A 22 GLY H A 21 TYR HA 1.0 . 3.01 573 539 A 22 GLY H A 21 TYR HBx 1.0 . 4.53 574 540 A 22 GLY H A 20 ARG HGy 1.0 . 5.50 575 541 A 56 ASN HD2y A 115 PRO HDx 1.0 . 5.50 576 542 A 55 LEU HBy A 56 ASN HD2y 1.0 . 5.50 577 543 A 56 ASN H A 56 ASN HD2y 1.0 . 5.39 578 544 A 56 ASN H A 56 ASN HD2x 1.0 . 5.50 579 545 A 115 PRO HDy A 56 ASN HD2x 1.0 . 5.40 580 546 A 115 PRO HGx A 56 ASN HD2x 1.0 . 5.28 581 547 A 55 LEU HBy A 56 ASN HD2x 1.0 . 5.21 582 548 A 55 LEU HDx% A 56 ASN HD2x 1.0 . 4.98 583 549 A 56 ASN HBx A 56 ASN HD2y 1.0 . 3.83 584 550 A 56 ASN HD2y A 115 PRO HGy 1.0 . 4.89 585 551 A 115 PRO HGx A 56 ASN HD2y 1.0 . 5.26 586 552 A 22 GLY H A 20 ARG HE 1.0 . 5.50 587 553 A 47 ASN HD2y A 49 VAL HGx% 1.0 . 5.50 588 553 A 49 VAL HGy% A 47 ASN HD2y 1.0 . 5.50 589 554 A 47 ASN HD2y A 47 ASN HA 1.0 . 5.16 590 555 A 47 ASN HBx A 47 ASN HD2y 1.0 . 3.68 591 556 A 47 ASN H A 47 ASN HD2y 1.0 . 4.78 592 557 A 43 GLN HE2y A 42 VAL HGx% 1.0 . 4.70 593 557 A 42 VAL HGy% A 43 GLN HE2y 1.0 . 4.70 594 558 A 43 GLN HE2x A 42 VAL HGx% 1.0 . 5.50 595 558 A 42 VAL HGy% A 43 GLN HE2x 1.0 . 5.50 596 559 A 66 GLY HAy A 67 GLN HE2y 1.0 . 5.50 597 560 A 113 ARG H A 112 SER H 1.0 . 5.05 598 561 A 53 GLY H A 112 SER H 1.0 . 5.27 599 562 A 117 GLU H A 112 SER H 1.0 . 5.50 600 563 A 112 SER H A 52 TYR HBy 1.0 . 4.68 601 564 A 112 SER H A 52 TYR HBx 1.0 . 5.28 602 565 A 112 SER H A 111 LYS HBx 1.0 . 3.22 603 566 A 112 SER H A 111 LYS HDy 1.0 . 4.67 604 567 A 112 SER H A 111 LYS HGy 1.0 . 4.92 605 568 A 112 SER H A 111 LYS HGx 1.0 . 4.92 606 569 A 67 GLN HE2y A 67 GLN HA 1.0 . 5.50 607 570 A 67 GLN HE2y A 67 GLN HGx 1.0 . 3.86 608 570 A 67 GLN HGy A 67 GLN HE2y 1.0 . 3.86 609 571 A 11 HIS H A 16 THR H 1.0 . 4.28 610 572 A 16 THR H A 15 LYS HA 1.0 . 3.48 611 573 A 11 HIS HBy A 16 THR H 1.0 . 3.93 612 574 A 11 HIS HBx A 16 THR H 1.0 . 4.33 613 575 A 16 THR HG2% A 16 THR H 1.0 . 4.82 614 576 A 16 THR H A 14 SER H 1.0 . 5.05 615 577 A 16 THR H A 14 SER HBy 1.0 . 5.28 616 578 A 9 GLN HE2y A 11 HIS HE1 1.0 . 5.46 617 579 A 9 GLN HE2y A 9 GLN HGx 1.0 . 3.58 618 579 A 9 GLN HGy A 9 GLN HE2y 1.0 . 3.58 619 580 A 9 GLN HBx A 9 GLN HE2y 1.0 . 5.50 620 581 A 7 ALA HB% A 9 GLN HE2y 1.0 . 5.34 621 582 A 11 HIS HE1 A 9 GLN HE2x 1.0 . 5.50 622 583 A 9 GLN HBx A 9 GLN HE2x 1.0 . 5.50 623 584 A 34 ARG H A 35 VAL H 1.0 . 3.73 624 585 A 35 VAL H A 36 HIS H 1.0 . 3.37 625 586 A 35 VAL H A 32 PHE HA 1.0 . 5.18 626 587 A 35 VAL H A 35 VAL HB 1.0 . 4.07 627 588 A 34 ARG HBy A 35 VAL H 1.0 . 3.87 628 589 A 34 ARG HBx A 35 VAL H 1.0 . 4.57 629 590 A 18 THR HG2% A 9 GLN HE2y 1.0 . 5.50 630 591 A 35 VAL H A 34 ARG HDy 1.0 . 5.34 631 592 A 67 GLN H A 66 GLY H 1.0 . 4.60 632 593 A 68 TYR H A 66 GLY H 1.0 . 4.99 633 594 A 69 ALA H A 66 GLY H 1.0 . 5.50 634 595 A 66 GLY H A 65 ALA HB% 1.0 . 4.14 635 596 A 42 VAL H A 44 GLY H 1.0 . 5.50 636 597 A 43 GLN HE2y A 44 GLY H 1.0 . 5.50 637 598 A 42 VAL HA A 44 GLY H 1.0 . 5.28 638 599 A 44 GLY H A 43 GLN HGx 1.0 . 5.09 639 599 A 44 GLY H A 43 GLN HGy 1.0 . 5.09 640 600 A 44 GLY H A 43 GLN HBx 1.0 . 4.15 641 600 A 43 GLN HBy A 44 GLY H 1.0 . 4.15 642 601 A 44 GLY H A 42 VAL HGx% 1.0 . 5.32 643 601 A 42 VAL HGy% A 44 GLY H 1.0 . 5.32 644 602 A 45 HIS HA A 46 GLY H 1.0 . 3.44 645 603 A 46 GLY H A 45 HIS HBy 1.0 . 4.69 646 604 A 45 HIS HBx A 46 GLY H 1.0 . 4.80 647 605 A 46 GLY H A 42 VAL HGx% 1.0 . 5.50 648 605 A 42 VAL HGy% A 46 GLY H 1.0 . 5.50 649 606 A 11 HIS HBy A 14 SER H 1.0 . 5.50 650 607 A 14 SER H A 11 HIS HA 1.0 . 5.50 651 608 A 11 HIS HBx A 14 SER H 1.0 . 5.06 652 609 A 14 SER H A 13 ALA H 1.0 . 5.50 653 610 A 74 PHE HBx A 77 GLY H 1.0 . 5.25 654 611 A 76 ASP HBx A 77 GLY H 1.0 . 5.31 655 612 A 77 GLY H A 57 VAL HGy% 1.0 . 5.50 656 613 A 75 ASP H A 77 GLY H 1.0 . 5.01 657 614 A 77 GLY H A 75 ASP HA 1.0 . 3.89 658 615 A 76 ASP HBy A 77 GLY H 1.0 . 5.50 659 616 A 74 PHE H A 77 GLY H 1.0 . 5.50 660 617 A 108 SER H A 110 GLY H 1.0 . 4.57 661 618 A 110 GLY H A 107 ALA HA 1.0 . 4.32 662 619 A 110 GLY H A 110 GLY HAx 1.0 . 2.93 663 619 A 110 GLY H A 110 GLY HAy 1.0 . 2.93 664 620 A 106 LEU HA A 110 GLY H 1.0 . 5.20 665 621 A 107 ALA HB% A 110 GLY H 1.0 . 5.29 666 622 A 110 GLY H A 109 ALA HB% 1.0 . 4.02 667 623 A 110 GLY H A 111 LYS HGy 1.0 . 5.50 668 624 A 106 LEU HDx% A 110 GLY H 1.0 . 5.50 669 625 A 53 GLY H A 52 TYR HA 1.0 . 3.37 670 626 A 53 GLY H A 52 TYR HBy 1.0 . 3.52 671 627 A 53 GLY H A 52 TYR HBx 1.0 . 3.90 672 628 A 53 GLY H A 113 ARG HGx 1.0 . 5.50 673 629 A 53 GLY H A 111 LYS HBx 1.0 . 5.50 674 630 A 53 GLY H A 113 ARG HGy 1.0 . 5.50 675 631 A 60 VAL H A 61 GLY H 1.0 . 2.99 676 632 A 62 VAL H A 61 GLY H 1.0 . 4.50 677 633 A 73 SER H A 61 GLY H 1.0 . 3.74 678 634 A 74 PHE HA A 61 GLY H 1.0 . 4.90 679 635 A 61 GLY H A 59 LEU HA 1.0 . 4.09 680 636 A 59 LEU HBx A 61 GLY H 1.0 . 4.28 681 637 A 59 LEU HDx% A 61 GLY H 1.0 . 5.50 682 638 A 21 TYR HD% A 93 THR H 1.0 . 5.50 683 639 A 93 THR H A 93 THR HB 1.0 . 4.17 684 640 A 93 THR H A 94 ARG HGy 1.0 . 4.92 685 641 A 93 THR H A 94 ARG HGx 1.0 . 5.50 686 642 A 93 THR H A 19 LEU HDx% 1.0 . 5.50 687 643 A 113 ARG HA A 53 GLY HAx 1.0 . 4.53 688 644 A 115 PRO HA A 53 GLY HAx 1.0 . 4.02 689 645 A 22 GLY HAx A 24 ASP H 1.0 . 4.31 690 646 A 22 GLY HAx A 21 TYR HA 1.0 . 4.39 691 647 A 22 GLY HAx A 23 GLU HBx 1.0 . 4.81 692 648 A 52 TYR HD% A 53 GLY HAx 1.0 . 4.59 693 649 A 115 PRO HBy A 53 GLY HAx 1.0 . 4.78 694 650 A 113 ARG HA A 53 GLY HAy 1.0 . 4.41 695 651 A 115 PRO HA A 53 GLY HAy 1.0 . 4.13 696 652 A 23 GLU H A 22 GLY HAy 1.0 . 3.39 697 653 A 21 TYR HA A 22 GLY HAy 1.0 . 4.43 698 654 A 24 ASP H A 22 GLY HAy 1.0 . 4.70 699 655 A 72 LEU HDy% A 70 LEU HBy 1.0 . 5.27 700 655 A 72 LEU HDy% A 70 LEU HBx 1.0 . 5.27 701 656 A 71 LYS H A 70 LEU HBy 1.0 . 4.12 702 656 A 71 LYS H A 70 LEU HBx 1.0 . 4.12 703 657 A 83 PHE HBy A 70 LEU HBy 1.0 . 4.53 704 657 A 70 LEU HBx A 83 PHE HBy 1.0 . 4.53 705 658 A 70 LEU H A 70 LEU HBy 1.0 . 3.92 706 658 A 70 LEU H A 70 LEU HBx 1.0 . 3.92 707 659 A 19 LEU H A 19 LEU HBy 1.0 . 3.90 708 660 A 19 LEU HDy% A 19 LEU HBy 1.0 . 4.10 709 661 A 20 ARG H A 19 LEU HBy 1.0 . 4.88 710 662 A 61 GLY HAx A 62 VAL HA 1.0 . 4.57 711 663 A 44 GLY HAx A 42 VAL HGx% 1.0 . 5.02 712 663 A 42 VAL HGy% A 44 GLY HAx 1.0 . 5.02 713 664 A 61 GLY HAy A 73 SER HBx 1.0 . 4.20 714 665 A 60 VAL HB A 61 GLY HAy 1.0 . 4.84 715 666 A 44 GLY HAy A 42 VAL HGx% 1.0 . 4.91 716 666 A 42 VAL HGy% A 44 GLY HAy 1.0 . 4.91 717 667 A 10 LEU HDx% A 61 GLY HAy 1.0 . 4.26 718 668 A 62 VAL H A 61 GLY HAy 1.0 . 3.01 719 669 A 17 LEU HBy A 72 LEU HDy% 1.0 . 4.75 720 670 A 17 LEU HBx A 33 LEU HDx% 1.0 . 3.65 721 671 A 66 GLY HAx A 65 ALA HA 1.0 . 4.78 722 672 A 66 GLY HAx A 67 GLN HBx 1.0 . 5.08 723 673 A 66 GLY HAx A 65 ALA HB% 1.0 . 5.50 724 674 A 71 LYS HGx A 81 GLY HAy 1.0 . 4.67 725 675 A 81 GLY HAy A 71 LYS HA 1.0 . 5.06 726 676 A 47 ASN H A 46 GLY HAx 1.0 . 3.36 727 677 A 46 GLY HAx A 42 VAL HGx% 1.0 . 5.22 728 677 A 42 VAL HGy% A 46 GLY HAx 1.0 . 5.22 729 678 A 46 GLY HAy A 42 VAL HGx% 1.0 . 5.50 730 678 A 42 VAL HGy% A 46 GLY HAy 1.0 . 5.50 731 679 A 113 ARG HBy A 55 LEU HBx 1.0 . 5.19 732 680 A 59 LEU H A 59 LEU HBy 1.0 . 3.55 733 681 A 61 GLY H A 59 LEU HBy 1.0 . 4.93 734 682 A 113 ARG H A 113 ARG HDy 1.0 . 5.20 735 683 A 103 LEU HDy% A 113 ARG HDy 1.0 . 4.17 736 684 A 103 LEU HDy% A 113 ARG HDx 1.0 . 4.55 737 685 A 55 LEU HBy A 55 LEU HDx% 1.0 . 4.16 738 686 A 56 ASN H A 55 LEU HBy 1.0 . 4.89 739 687 A 55 LEU HBx A 55 LEU HDx% 1.0 . 3.97 740 688 A 56 ASN H A 55 LEU HBx 1.0 . 5.05 741 689 A 60 VAL H A 59 LEU HBy 1.0 . 4.53 742 690 A 30 ALA HB% A 59 LEU HBy 1.0 . 3.98 743 691 A 10 LEU HDy% A 59 LEU HBy 1.0 . 3.73 744 692 A 59 LEU HDx% A 59 LEU HBy 1.0 . 3.80 745 693 A 59 LEU HBy A 59 LEU HDy% 1.0 . 3.78 746 694 A 10 LEU HDy% A 59 LEU HBx 1.0 . 3.68 747 695 A 59 LEU HDx% A 59 LEU HBx 1.0 . 3.71 748 696 A 59 LEU HBx A 74 PHE HA 1.0 . 5.04 749 697 A 113 ARG H A 113 ARG HDx 1.0 . 5.21 750 698 A 113 ARG HDx A 55 LEU HDy% 1.0 . 5.50 751 699 A 94 ARG HA A 94 ARG HDy 1.0 . 4.19 752 700 A 94 ARG HBy A 94 ARG HDy 1.0 . 3.64 753 701 A 94 ARG HA A 94 ARG HDx 1.0 . 4.27 754 702 A 57 VAL HA A 58 GLY HAx 1.0 . 4.50 755 703 A 98 LEU HDy% A 94 ARG HDy 1.0 . 5.22 756 704 A 93 THR HG2% A 94 ARG HDy 1.0 . 5.50 757 705 A 94 ARG HDx A 97 GLN HGx 1.0 . 5.50 758 705 A 97 GLN HGy A 94 ARG HDx 1.0 . 5.50 759 706 A 94 ARG HBy A 94 ARG HDx 1.0 . 3.65 760 707 A 98 LEU HDy% A 94 ARG HDx 1.0 . 5.44 761 708 A 98 LEU HDx% A 94 ARG HDx 1.0 . 4.92 762 709 A 59 LEU H A 58 GLY HAx 1.0 . 3.38 763 710 A 59 LEU H A 58 GLY HAy 1.0 . 3.36 764 711 A 58 GLY HAy A 15 LYS HDy 1.0 . 4.61 765 712 A 20 ARG HA A 20 ARG HDy 1.0 . 4.97 766 713 A 20 ARG HBy A 20 ARG HDy 1.0 . 4.07 767 714 A 20 ARG HBx A 20 ARG HDy 1.0 . 3.81 768 715 A 89 TYR HD% A 3 ARG HDx 1.0 . 5.50 769 716 A 3 ARG H A 3 ARG HDy 1.0 . 5.05 770 717 A 3 ARG HDy A 3 ARG HA 1.0 . 3.99 771 718 A 3 ARG HDy A 3 ARG HBx 1.0 . 3.65 772 718 A 3 ARG HBy A 3 ARG HDy 1.0 . 3.65 773 719 A 3 ARG H A 3 ARG HDx 1.0 . 5.32 774 720 A 3 ARG HDx A 3 ARG HA 1.0 . 3.98 775 721 A 3 ARG HDx A 3 ARG HBx 1.0 . 3.63 776 721 A 3 ARG HBy A 3 ARG HDx 1.0 . 3.63 777 722 A 28 LEU HBy A 17 LEU HBy 1.0 . 4.09 778 723 A 28 LEU HBy A 33 LEU HDx% 1.0 . 3.99 779 724 A 28 LEU HBy A 27 ASP HA 1.0 . 5.29 780 725 A 73 SER H A 72 LEU HBy 1.0 . 4.79 781 726 A 72 LEU H A 72 LEU HBy 1.0 . 4.02 782 727 A 83 PHE HEx A 72 LEU HBy 1.0 . 3.99 783 728 A 28 LEU HDy% A 28 LEU HBx 1.0 . 4.17 784 729 A 28 LEU HDx% A 28 LEU HBx 1.0 . 4.00 785 730 A 74 PHE HE% A 72 LEU HBx 1.0 . 4.02 786 731 A 72 LEU HDx% A 72 LEU HBx 1.0 . 4.14 787 732 A 74 PHE HD% A 72 LEU HBx 1.0 . 4.11 788 733 A 72 LEU HDy% A 72 LEU HBx 1.0 . 3.91 789 734 A 15 LYS HEy A 58 GLY HAx 1.0 . 4.09 790 735 A 15 LYS HEy A 58 GLY HAy 1.0 . 4.13 791 736 A 23 GLU H A 24 ASP HBy 1.0 . 4.41 792 737 A 23 GLU H A 24 ASP HBx 1.0 . 4.96 793 738 A 50 LEU HBx A 49 VAL HA 1.0 . 4.90 794 739 A 50 LEU HBx A 50 LEU HDx% 1.0 . 3.72 795 740 A 51 GLN H A 50 LEU HBx 1.0 . 4.96 796 741 A 29 PRO HDy A 28 LEU HBx 1.0 . 5.17 797 742 A 15 LYS HGy A 15 LYS HEy 1.0 . 3.29 798 743 A 15 LYS HBy A 15 LYS HEy 1.0 . 3.91 799 744 A 79 ASP H A 79 ASP HBx 1.0 . 4.16 800 744 A 79 ASP H A 79 ASP HBy 1.0 . 4.16 801 745 A 74 PHE HD% A 33 LEU HBy 1.0 . 5.24 802 746 A 33 LEU HBy A 33 LEU HDx% 1.0 . 4.22 803 747 A 51 GLN H A 50 LEU HBy 1.0 . 5.36 804 748 A 72 LEU HDy% A 33 LEU HBx 1.0 . 5.11 805 749 A 33 LEU HBx A 83 PHE HEx 1.0 . 4.74 806 750 A 10 LEU HBx A 10 LEU HDx% 1.0 . 3.33 807 751 A 33 LEU HBy A 30 ALA HA 1.0 . 4.27 808 752 A 72 LEU HDx% A 33 LEU HBx 1.0 . 5.27 809 753 A 26 TYR HBx A 27 ASP H 1.0 . 5.29 810 754 A 111 LYS HA A 111 LYS HEx 1.0 . 5.16 811 755 A 52 TYR HD% A 111 LYS HEx 1.0 . 5.05 812 756 A 88 LEU H A 88 LEU HBx 1.0 . 3.87 813 757 A 85 TRP HA A 88 LEU HBx 1.0 . 4.80 814 758 A 88 LEU HBx A 19 LEU HDx% 1.0 . 4.43 815 759 A 88 LEU HBx A 88 LEU HDx% 1.0 . 3.57 816 759 A 88 LEU HDy% A 88 LEU HBx 1.0 . 3.57 817 760 A 98 LEU HBx A 95 LYS HA 1.0 . 5.03 818 761 A 98 LEU HBx A 98 LEU HDx% 1.0 . 4.24 819 762 A 75 ASP H A 74 PHE HBy 1.0 . 4.37 820 763 A 74 PHE HBy A 57 VAL HGy% 1.0 . 4.60 821 764 A 26 TYR HBy A 28 LEU HDx% 1.0 . 4.48 822 765 A 52 TYR HE% A 111 LYS HEy 1.0 . 4.35 823 766 A 111 LYS HA A 111 LYS HEy 1.0 . 4.83 824 767 A 111 LYS HGy A 111 LYS HEy 1.0 . 3.91 825 768 A 111 LYS HGx A 111 LYS HEy 1.0 . 3.70 826 769 A 111 LYS HEx A 52 TYR HE% 1.0 . 4.41 827 770 A 109 ALA HB% A 111 LYS HEx 1.0 . 4.58 828 771 A 111 LYS HGx A 111 LYS HEx 1.0 . 3.68 829 772 A 111 LYS HGy A 111 LYS HEx 1.0 . 3.64 830 773 A 54 LYS HA A 54 LYS HEx 1.0 . 5.33 831 773 A 54 LYS HA A 54 LYS HEy 1.0 . 5.33 832 774 A 28 LEU H A 27 ASP HBx 1.0 . 4.29 833 775 A 27 ASP HBx A 18 THR HA 1.0 . 4.95 834 776 A 121 LYS HA A 121 LYS HEx 1.0 . 4.06 835 776 A 121 LYS HA A 121 LYS HEy 1.0 . 4.06 836 777 A 28 LEU H A 27 ASP HBy 1.0 . 4.55 837 778 A 16 THR HG2% A 27 ASP HBx 1.0 . 3.79 838 779 A 71 LYS HGy A 71 LYS HEx 1.0 . 4.12 839 779 A 71 LYS HGy A 71 LYS HEy 1.0 . 4.12 840 780 A 71 LYS HGx A 71 LYS HEx 1.0 . 3.84 841 780 A 71 LYS HGx A 71 LYS HEy 1.0 . 3.84 842 781 A 27 ASP H A 95 LYS HEy 1.0 . 5.44 843 782 A 95 LYS HEy A 96 ASP HA 1.0 . 5.50 844 783 A 29 PRO HDy A 95 LYS HEx 1.0 . 5.23 845 784 A 95 LYS HBx A 95 LYS HEx 1.0 . 3.90 846 785 A 95 LYS HGy A 95 LYS HEx 1.0 . 3.85 847 786 A 91 LEU HBy A 32 PHE HE% 1.0 . 4.94 848 787 A 29 PRO HDy A 95 LYS HEy 1.0 . 5.29 849 788 A 91 LEU HBy A 88 LEU HA 1.0 . 4.12 850 789 A 107 ALA H A 106 LEU HBy 1.0 . 3.84 851 790 A 106 LEU H A 106 LEU HBx 1.0 . 3.62 852 791 A 107 ALA H A 106 LEU HBx 1.0 . 3.79 853 792 A 88 LEU HA A 91 LEU HBx 1.0 . 5.11 854 793 A 91 LEU HBx A 91 LEU HDx% 1.0 . 4.21 855 794 A 115 PRO HDy A 114 ASP HBy 1.0 . 4.54 856 795 A 114 ASP HBy A 115 PRO HDx 1.0 . 4.91 857 796 A 114 ASP HBy A 117 GLU HBx 1.0 . 4.10 858 797 A 114 ASP HBx A 116 ASP H 1.0 . 3.30 859 798 A 114 ASP HBx A 117 GLU HBx 1.0 . 4.26 860 799 A 114 ASP HBx A 55 LEU HBy 1.0 . 5.02 861 800 A 112 SER HBx A 114 ASP HBx 1.0 . 4.65 862 801 A 9 GLN H A 8 ILE HB 1.0 . 4.41 863 802 A 8 ILE H A 8 ILE HB 1.0 . 3.36 864 803 A 8 ILE HB A 7 ALA HA 1.0 . 5.09 865 804 A 116 ASP H A 116 ASP HBy 1.0 . 3.35 866 805 A 103 LEU H A 103 LEU HBx 1.0 . 3.86 867 806 A 103 LEU HDx% A 103 LEU HBx 1.0 . 3.87 868 807 A 100 ALA HA A 103 LEU HBy 1.0 . 4.26 869 808 A 104 ALA H A 103 LEU HBx 1.0 . 4.30 870 809 A 86 ASP H A 86 ASP HBy 1.0 . 3.57 871 810 A 87 TYR H A 86 ASP HBy 1.0 . 3.95 872 811 A 37 SER HBy A 34 ARG HDy 1.0 . 5.23 873 812 A 68 TYR HBy A 69 ALA HB% 1.0 . 5.04 874 813 A 68 TYR HBx A 69 ALA HB% 1.0 . 4.54 875 814 A 101 ASP HBx A 98 LEU HA 1.0 . 3.82 876 815 A 68 TYR HBy A 85 TRP HD1 1.0 . 4.84 877 816 A 68 TYR HBy A 84 THR HG2% 1.0 . 5.06 878 817 A 68 TYR H A 68 TYR HBy 1.0 . 3.82 879 818 A 69 ALA H A 68 TYR HBx 1.0 . 4.58 880 819 A 101 ASP HBx A 104 ALA HB% 1.0 . 5.50 881 820 A 56 ASN H A 56 ASN HBy 1.0 . 4.07 882 821 A 57 VAL H A 56 ASN HBy 1.0 . 4.88 883 822 A 56 ASN HD2y A 56 ASN HBy 1.0 . 3.74 884 823 A 111 LYS HGx A 52 TYR HBy 1.0 . 5.50 885 824 A 60 VAL HGy% A 75 ASP HBy 1.0 . 4.09 886 825 A 50 LEU HG A 52 TYR HBx 1.0 . 4.96 887 826 A 111 LYS HBx A 52 TYR HBy 1.0 . 4.16 888 827 A 111 LYS HGy A 52 TYR HBy 1.0 . 5.50 889 828 A 111 LYS HBx A 52 TYR HBx 1.0 . 4.06 890 829 A 50 LEU HDx% A 52 TYR HBx 1.0 . 5.05 891 830 A 4 ILE HB A 5 PRO HDx 1.0 . 4.87 892 831 A 70 LEU H A 83 PHE HBy 1.0 . 5.21 893 832 A 88 LEU HG A 83 PHE HBy 1.0 . 4.81 894 833 A 88 LEU HG A 83 PHE HBx 1.0 . 4.09 895 834 A 89 TYR HD% A 21 TYR HBy 1.0 . 3.86 896 835 A 21 TYR H A 21 TYR HBx 1.0 . 4.19 897 836 A 47 ASN HBy A 47 ASN HD2y 1.0 . 3.99 898 837 A 47 ASN HBy A 49 VAL HGx% 1.0 . 5.37 899 837 A 49 VAL HGy% A 47 ASN HBy 1.0 . 5.37 900 838 A 48 PRO HDx A 47 ASN HBx 1.0 . 4.00 901 839 A 29 PRO HBx A 32 PHE HBy 1.0 . 4.40 902 840 A 32 PHE H A 32 PHE HBx 1.0 . 3.69 903 841 A 29 PRO HDy A 32 PHE HBy 1.0 . 3.90 904 842 A 102 TYR H A 102 TYR HBy 1.0 . 3.43 905 843 A 99 TRP HA A 102 TYR HBy 1.0 . 4.27 906 844 A 23 GLU H A 23 GLU HGy 1.0 . 3.77 907 845 A 23 GLU H A 23 GLU HGx 1.0 . 3.79 908 846 A 23 GLU HBx A 23 GLU HGy 1.0 . 2.92 909 847 A 117 GLU HBx A 117 GLU HGx 1.0 . 2.97 910 847 A 117 GLU HBx A 117 GLU HGy 1.0 . 2.97 911 848 A 117 GLU H A 117 GLU HGx 1.0 . 4.25 912 848 A 117 GLU H A 117 GLU HGy 1.0 . 4.25 913 849 A 41 GLU HBy A 41 GLU HGy 1.0 . 2.71 914 849 A 41 GLU HBy A 41 GLU HGx 1.0 . 2.71 915 850 A 41 GLU HA A 41 GLU HGy 1.0 . 3.26 916 850 A 41 GLU HA A 41 GLU HGx 1.0 . 3.26 917 851 A 23 GLU HBx A 23 GLU HGx 1.0 . 2.91 918 852 A 41 GLU HGx A 42 VAL HGx% 1.0 . 4.82 919 852 A 41 GLU HGy A 42 VAL HGx% 1.0 . 4.82 920 852 A 42 VAL HGy% A 41 GLU HGy 1.0 . 4.82 921 852 A 42 VAL HGy% A 41 GLU HGx 1.0 . 4.82 922 853 A 41 GLU H A 41 GLU HGy 1.0 . 3.89 923 853 A 41 GLU H A 41 GLU HGx 1.0 . 3.89 924 854 A 102 TYR HA A 105 GLU HGy 1.0 . 4.60 925 855 A 105 GLU HA A 105 GLU HGy 1.0 . 3.52 926 856 A 105 GLU HBy A 105 GLU HGy 1.0 . 2.88 927 857 A 104 ALA HB% A 105 GLU HGy 1.0 . 4.89 928 858 A 50 LEU HDy% A 105 GLU HGy 1.0 . 4.37 929 859 A 106 LEU H A 105 GLU HGy 1.0 . 4.96 930 860 A 105 GLU H A 105 GLU HGy 1.0 . 3.53 931 861 A 105 GLU H A 105 GLU HGx 1.0 . 3.40 932 862 A 50 LEU HDy% A 105 GLU HGx 1.0 . 4.33 933 863 A 63 GLU HGy A 64 PRO HDx 1.0 . 4.39 934 863 A 64 PRO HDy A 63 GLU HGy 1.0 . 4.39 935 864 A 62 VAL H A 63 GLU HGx 1.0 . 5.50 936 865 A 63 GLU HGx A 63 GLU HA 1.0 . 4.15 937 866 A 63 GLU H A 63 GLU HGx 1.0 . 4.08 938 867 A 63 GLU HGx A 64 PRO HDx 1.0 . 4.46 939 867 A 64 PRO HDy A 63 GLU HGx 1.0 . 4.46 940 868 A 31 GLU H A 31 GLU HGx 1.0 . 5.11 941 869 A 106 LEU HA A 111 LYS HBx 1.0 . 4.40 942 870 A 106 LEU HDx% A 111 LYS HBx 1.0 . 3.76 943 871 A 11 HIS H A 16 THR HB 1.0 . 5.05 944 872 A 11 HIS HBy A 16 THR HB 1.0 . 3.97 945 873 A 16 THR HB A 27 ASP HBx 1.0 . 4.89 946 874 A 16 THR HB A 16 THR H 1.0 . 3.64 947 875 A 11 HIS HBx A 16 THR HB 1.0 . 4.48 948 876 A 63 GLU H A 62 VAL HB 1.0 . 4.09 949 877 A 62 VAL H A 62 VAL HB 1.0 . 3.45 950 878 A 61 GLY HAx A 62 VAL HB 1.0 . 4.87 951 879 A 70 LEU HA A 71 LYS HBy 1.0 . 4.99 952 880 A 71 LYS HBx A 64 PRO HA 1.0 . 4.99 953 881 A 71 LYS H A 71 LYS HBy 1.0 . 3.60 954 882 A 63 GLU H A 71 LYS HBy 1.0 . 4.31 955 883 A 71 LYS HBy A 70 LEU HDy% 1.0 . 4.77 956 884 A 71 LYS HBy A 71 LYS HEx 1.0 . 5.08 957 884 A 71 LYS HEy A 71 LYS HBy 1.0 . 5.08 958 885 A 71 LYS H A 71 LYS HBx 1.0 . 3.74 959 886 A 71 LYS HBx A 70 LEU HDy% 1.0 . 4.42 960 887 A 67 GLN H A 67 GLN HGx 1.0 . 3.67 961 887 A 67 GLN H A 67 GLN HGy 1.0 . 3.67 962 888 A 67 GLN HE2x A 67 GLN HGx 1.0 . 3.90 963 888 A 67 GLN HGy A 67 GLN HE2x 1.0 . 3.90 964 889 A 67 GLN HA A 67 GLN HGx 1.0 . 3.20 965 889 A 67 GLN HGy A 67 GLN HA 1.0 . 3.20 966 890 A 66 GLY HAx A 67 GLN HGx 1.0 . 4.64 967 890 A 66 GLY HAx A 67 GLN HGy 1.0 . 4.64 968 891 A 67 GLN HBy A 67 GLN HGx 1.0 . 2.87 969 891 A 67 GLN HGy A 67 GLN HBy 1.0 . 2.87 970 892 A 67 GLN HBx A 67 GLN HGx 1.0 . 2.97 971 892 A 67 GLN HBx A 67 GLN HGy 1.0 . 2.97 972 893 A 71 LYS HBy A 71 LYS HDy 1.0 . 3.64 973 894 A 98 LEU H A 97 GLN HGx 1.0 . 4.18 974 894 A 98 LEU H A 97 GLN HGy 1.0 . 4.18 975 895 A 97 GLN HE2y A 97 GLN HGx 1.0 . 3.43 976 895 A 97 GLN HGy A 97 GLN HE2y 1.0 . 3.43 977 896 A 97 GLN HE2x A 97 GLN HGx 1.0 . 3.86 978 896 A 97 GLN HGy A 97 GLN HE2x 1.0 . 3.86 979 897 A 97 GLN HA A 97 GLN HGx 1.0 . 3.24 980 897 A 97 GLN HGy A 97 GLN HA 1.0 . 3.24 981 898 A 97 GLN HBy A 97 GLN HGx 1.0 . 2.59 982 898 A 97 GLN HGy A 97 GLN HBy 1.0 . 2.59 983 899 A 98 LEU HDy% A 97 GLN HGx 1.0 . 4.81 984 899 A 98 LEU HDy% A 97 GLN HGy 1.0 . 4.81 985 900 A 51 GLN H A 51 GLN HGy 1.0 . 3.82 986 901 A 51 GLN HE2y A 51 GLN HGy 1.0 . 3.70 987 902 A 35 VAL HA A 51 GLN HGy 1.0 . 4.60 988 903 A 51 GLN HGy A 49 VAL HGx% 1.0 . 4.56 989 903 A 49 VAL HGy% A 51 GLN HGy 1.0 . 4.56 990 904 A 43 GLN HE2y A 43 GLN HGx 1.0 . 3.55 991 904 A 43 GLN HE2y A 43 GLN HGy 1.0 . 3.55 992 905 A 51 GLN H A 51 GLN HGx 1.0 . 4.15 993 906 A 35 VAL HA A 51 GLN HGx 1.0 . 4.03 994 907 A 3 ARG H A 2 MET HBx 1.0 . 3.57 995 907 A 3 ARG H A 2 MET HBy 1.0 . 3.57 996 908 A 4 ILE H A 2 MET HBx 1.0 . 5.17 997 908 A 4 ILE H A 2 MET HBy 1.0 . 5.17 998 909 A 85 TRP HBx A 2 MET HBx 1.0 . 4.24 999 909 A 85 TRP HBx A 2 MET HBy 1.0 . 4.24 1000 910 A 4 ILE HG1y A 2 MET HBx 1.0 . 4.29 1001 910 A 2 MET HBy A 4 ILE HG1y 1.0 . 4.29 1002 911 A 4 ILE HG1x A 2 MET HBx 1.0 . 4.34 1003 911 A 4 ILE HG1x A 2 MET HBy 1.0 . 4.34 1004 912 A 43 GLN H A 43 GLN HGx 1.0 . 3.28 1005 912 A 43 GLN H A 43 GLN HGy 1.0 . 3.28 1006 913 A 43 GLN HBx A 43 GLN HGx 1.0 . 2.68 1007 913 A 43 GLN HBy A 43 GLN HGx 1.0 . 2.68 1008 913 A 43 GLN HGy A 43 GLN HBx 1.0 . 2.68 1009 913 A 43 GLN HBy A 43 GLN HGy 1.0 . 2.68 1010 914 A 42 VAL HGy% A 43 GLN HGx 1.0 . 4.03 1011 914 A 42 VAL HGx% A 43 GLN HGx 1.0 . 4.03 1012 914 A 43 GLN HGy A 42 VAL HGx% 1.0 . 4.03 1013 914 A 42 VAL HGy% A 43 GLN HGy 1.0 . 4.03 1014 915 A 31 GLU H A 29 PRO HBy 1.0 . 4.53 1015 916 A 30 ALA H A 29 PRO HBy 1.0 . 3.96 1016 917 A 32 PHE H A 29 PRO HBy 1.0 . 4.47 1017 918 A 16 THR HG2% A 29 PRO HBy 1.0 . 5.12 1018 919 A 7 ALA HB% A 9 GLN HGx 1.0 . 4.20 1019 919 A 9 GLN HGy A 7 ALA HB% 1.0 . 4.20 1020 920 A 9 GLN H A 9 GLN HGx 1.0 . 3.86 1021 920 A 9 GLN H A 9 GLN HGy 1.0 . 3.86 1022 921 A 9 GLN HA A 9 GLN HGx 1.0 . 3.41 1023 921 A 9 GLN HGy A 9 GLN HA 1.0 . 3.41 1024 922 A 18 THR HB A 9 GLN HGx 1.0 . 4.31 1025 922 A 18 THR HB A 9 GLN HGy 1.0 . 4.31 1026 923 A 9 GLN HBx A 9 GLN HGx 1.0 . 2.99 1027 923 A 9 GLN HBx A 9 GLN HGy 1.0 . 2.99 1028 924 A 29 PRO HBx A 32 PHE HBx 1.0 . 4.93 1029 925 A 31 GLU H A 29 PRO HBx 1.0 . 4.67 1030 926 A 29 PRO HBx A 32 PHE H 1.0 . 3.78 1031 927 A 49 VAL HB A 49 VAL H 1.0 . 2.96 1032 928 A 49 VAL HB A 51 GLN HE2x 1.0 . 4.39 1033 929 A 49 VAL HB A 48 PRO HA 1.0 . 4.89 1034 930 A 113 ARG HBy A 113 ARG HE 1.0 . 4.49 1035 931 A 119 VAL H A 119 VAL HB 1.0 . 3.41 1036 932 A 63 GLU HBy A 71 LYS HBx 1.0 . 4.91 1037 933 A 43 GLN H A 42 VAL HB 1.0 . 3.49 1038 934 A 60 VAL HB A 61 GLY H 1.0 . 3.49 1039 935 A 60 VAL HB A 73 SER HBx 1.0 . 4.14 1040 936 A 63 GLU H A 63 GLU HBx 1.0 . 3.87 1041 937 A 113 ARG HBx A 113 ARG HE 1.0 . 4.80 1042 938 A 112 SER HA A 113 ARG HBy 1.0 . 4.53 1043 939 A 63 GLU HBx A 64 PRO HDx 1.0 . 3.49 1044 939 A 64 PRO HDy A 63 GLU HBx 1.0 . 3.49 1045 940 A 21 TYR H A 20 ARG HBy 1.0 . 4.37 1046 941 A 20 ARG HBy A 19 LEU HA 1.0 . 5.23 1047 942 A 113 ARG HBx A 106 LEU HG 1.0 . 5.20 1048 943 A 20 ARG HBx A 20 ARG HDx 1.0 . 4.23 1049 944 A 20 ARG HBx A 20 ARG HE 1.0 . 5.34 1050 945 A 113 ARG HBy A 55 LEU HDx% 1.0 . 5.50 1051 946 A 71 LYS H A 63 GLU HBy 1.0 . 5.08 1052 947 A 63 GLU HBy A 64 PRO HDx 1.0 . 3.40 1053 947 A 64 PRO HDy A 63 GLU HBy 1.0 . 3.40 1054 948 A 120 VAL H A 120 VAL HB 1.0 . 3.49 1055 949 A 12 LYS H A 12 LYS HBy 1.0 . 3.82 1056 950 A 12 LYS HBy A 13 ALA HA 1.0 . 4.76 1057 951 A 12 LYS HBy A 12 LYS HEx 1.0 . 5.20 1058 951 A 12 LYS HBy A 12 LYS HEy 1.0 . 5.20 1059 952 A 12 LYS HBx A 12 LYS HEx 1.0 . 5.22 1060 952 A 12 LYS HBx A 12 LYS HEy 1.0 . 5.22 1061 953 A 95 LYS HBx A 32 PHE HE% 1.0 . 5.01 1062 954 A 95 LYS HBx A 95 LYS HEy 1.0 . 4.46 1063 955 A 3 ARG H A 2 MET HGy 1.0 . 4.63 1064 956 A 4 ILE HG1y A 2 MET HGy 1.0 . 5.04 1065 957 A 2 MET HGy A 4 ILE HD1% 1.0 . 5.38 1066 958 A 2 MET HGy A 2 MET HE% 1.0 . 4.58 1067 959 A 4 ILE HG1x A 2 MET HGx 1.0 . 5.13 1068 960 A 3 ARG H A 2 MET HGx 1.0 . 4.57 1069 961 A 2 MET HA A 2 MET HGx 1.0 . 3.82 1070 962 A 4 ILE HG1y A 2 MET HGx 1.0 . 5.02 1071 963 A 49 VAL H A 48 PRO HBy 1.0 . 3.81 1072 964 A 95 LYS HBy A 32 PHE HE% 1.0 . 4.68 1073 965 A 95 LYS H A 95 LYS HBy 1.0 . 3.31 1074 966 A 95 LYS HBy A 92 ALA HA 1.0 . 4.28 1075 967 A 95 LYS HBy A 95 LYS HEx 1.0 . 4.82 1076 968 A 94 ARG H A 95 LYS HBy 1.0 . 5.20 1077 969 A 95 LYS H A 95 LYS HBx 1.0 . 3.36 1078 970 A 115 PRO HBy A 114 ASP HA 1.0 . 4.87 1079 971 A 56 ASN H A 57 VAL HB 1.0 . 4.74 1080 972 A 115 PRO HBx A 116 ASP HA 1.0 . 4.88 1081 973 A 18 THR HB A 9 GLN HBy 1.0 . 3.37 1082 974 A 31 GLU HA A 57 VAL HB 1.0 . 4.85 1083 975 A 58 GLY H A 57 VAL HB 1.0 . 4.32 1084 976 A 57 VAL H A 57 VAL HB 1.0 . 3.16 1085 977 A 18 THR H A 9 GLN HBy 1.0 . 4.46 1086 978 A 9 GLN HBx A 18 THR H 1.0 . 4.53 1087 979 A 18 THR HB A 9 GLN HBx 1.0 . 3.68 1088 980 A 5 PRO HBx A 19 LEU HA 1.0 . 4.93 1089 981 A 20 ARG H A 5 PRO HBx 1.0 . 4.17 1090 982 A 7 ALA H A 5 PRO HBx 1.0 . 3.72 1091 983 A 89 TYR HE% A 5 PRO HBy 1.0 . 4.97 1092 984 A 36 HIS H A 35 VAL HB 1.0 . 4.57 1093 985 A 51 GLN H A 35 VAL HB 1.0 . 5.09 1094 986 A 99 TRP HBx A 95 LYS HGy 1.0 . 5.04 1095 987 A 15 LYS HBx A 15 LYS HEy 1.0 . 5.07 1096 988 A 15 LYS HBy A 15 LYS HDx 1.0 . 3.93 1097 989 A 15 LYS HBx A 15 LYS HDx 1.0 . 3.89 1098 990 A 30 ALA H A 15 LYS HBx 1.0 . 5.04 1099 991 A 117 GLU HBy A 114 ASP HBy 1.0 . 4.35 1100 992 A 117 GLU H A 117 GLU HBx 1.0 . 3.22 1101 993 A 54 LYS HBx A 57 VAL HGx% 1.0 . 4.83 1102 994 A 51 GLN H A 51 GLN HBx 1.0 . 4.14 1103 995 A 35 VAL HA A 51 GLN HBx 1.0 . 4.38 1104 996 A 51 GLN HBx A 35 VAL HGy% 1.0 . 4.90 1105 997 A 15 LYS HBy A 15 LYS HDy 1.0 . 3.50 1106 998 A 23 GLU H A 23 GLU HBy 1.0 . 3.77 1107 999 A 24 ASP H A 23 GLU HBy 1.0 . 4.56 1108 1000 A 31 GLU HBy A 57 VAL HGx% 1.0 . 5.19 1109 1001 A 32 PHE H A 31 GLU HBy 1.0 . 4.75 1110 1002 A 117 GLU HBy A 117 GLU HGx 1.0 . 2.63 1111 1002 A 117 GLU HBy A 117 GLU HGy 1.0 . 2.63 1112 1003 A 42 VAL H A 41 GLU HBx 1.0 . 4.09 1113 1004 A 31 GLU HBx A 57 VAL HGx% 1.0 . 4.70 1114 1005 A 32 PHE H A 31 GLU HBx 1.0 . 4.21 1115 1006 A 85 TRP HBy A 2 MET HBx 1.0 . 4.60 1116 1006 A 85 TRP HBy A 2 MET HBy 1.0 . 4.60 1117 1007 A 4 ILE HG1x A 85 TRP HBy 1.0 . 4.99 1118 1008 A 4 ILE HG1x A 85 TRP HBx 1.0 . 5.14 1119 1009 A 21 TYR HE% A 3 ARG HBx 1.0 . 5.24 1120 1009 A 3 ARG HBy A 21 TYR HE% 1.0 . 5.24 1121 1010 A 71 LYS H A 71 LYS HDx 1.0 . 5.15 1122 1011 A 3 ARG HBy A 89 TYR HBx 1.0 . 4.48 1123 1011 A 3 ARG HBx A 89 TYR HBx 1.0 . 4.48 1124 1011 A 89 TYR HBy A 3 ARG HBx 1.0 . 4.48 1125 1011 A 3 ARG HBy A 89 TYR HBy 1.0 . 4.48 1126 1012 A 85 TRP HBy A 3 ARG HBx 1.0 . 4.81 1127 1012 A 85 TRP HBy A 3 ARG HBy 1.0 . 4.81 1128 1013 A 59 LEU H A 15 LYS HDy 1.0 . 5.26 1129 1014 A 58 GLY HAx A 15 LYS HDy 1.0 . 4.18 1130 1015 A 15 LYS H A 15 LYS HDy 1.0 . 5.50 1131 1016 A 67 GLN H A 67 GLN HBy 1.0 . 4.02 1132 1017 A 12 LYS H A 12 LYS HDx 1.0 . 4.76 1133 1017 A 12 LYS H A 12 LYS HDy 1.0 . 4.76 1134 1018 A 60 VAL HA A 12 LYS HDx 1.0 . 4.46 1135 1018 A 12 LYS HDy A 60 VAL HA 1.0 . 4.46 1136 1019 A 12 LYS HA A 12 LYS HDx 1.0 . 4.49 1137 1019 A 12 LYS HDy A 12 LYS HA 1.0 . 4.49 1138 1020 A 58 GLY HAx A 15 LYS HDx 1.0 . 4.50 1139 1021 A 71 LYS HA A 71 LYS HDy 1.0 . 5.11 1140 1022 A 71 LYS H A 71 LYS HDy 1.0 . 5.27 1141 1023 A 28 LEU HDy% A 95 LYS HDx 1.0 . 5.18 1142 1024 A 15 LYS HA A 15 LYS HDx 1.0 . 5.21 1143 1025 A 29 PRO HDx A 95 LYS HDy 1.0 . 4.98 1144 1026 A 95 LYS HDy A 32 PHE HD% 1.0 . 5.18 1145 1027 A 29 PRO HDy A 95 LYS HDy 1.0 . 4.97 1146 1028 A 95 LYS HA A 95 LYS HDy 1.0 . 5.49 1147 1029 A 96 ASP H A 95 LYS HDx 1.0 . 5.17 1148 1030 A 95 LYS HDx A 32 PHE HD% 1.0 . 5.06 1149 1031 A 29 PRO HDy A 95 LYS HDx 1.0 . 4.85 1150 1032 A 29 PRO HDx A 95 LYS HDx 1.0 . 4.81 1151 1033 A 95 LYS HA A 95 LYS HDx 1.0 . 5.29 1152 1034 A 45 HIS HBy A 42 VAL HGx% 1.0 . 5.37 1153 1034 A 42 VAL HGy% A 45 HIS HBy 1.0 . 5.37 1154 1035 A 90 GLU HBy A 89 TYR HBx 1.0 . 5.39 1155 1035 A 89 TYR HBy A 90 GLU HBy 1.0 . 5.39 1156 1036 A 87 TYR HA A 90 GLU HBy 1.0 . 3.93 1157 1037 A 90 GLU H A 90 GLU HBx 1.0 . 3.43 1158 1038 A 87 TYR HD% A 90 GLU HBx 1.0 . 4.81 1159 1039 A 87 TYR HA A 90 GLU HBx 1.0 . 4.21 1160 1040 A 45 HIS HBx A 42 VAL HGx% 1.0 . 5.16 1161 1040 A 42 VAL HGy% A 45 HIS HBx 1.0 . 5.16 1162 1041 A 94 ARG HBy A 98 LEU HDx% 1.0 . 4.29 1163 1042 A 105 GLU HBy A 106 LEU H 1.0 . 3.73 1164 1043 A 96 ASP HBx A 97 GLN HBx 1.0 . 5.12 1165 1044 A 105 GLU HBy A 50 LEU HDy% 1.0 . 4.13 1166 1045 A 43 GLN H A 43 GLN HBx 1.0 . 3.55 1167 1045 A 43 GLN H A 43 GLN HBy 1.0 . 3.55 1168 1046 A 105 GLU H A 105 GLU HBx 1.0 . 3.35 1169 1047 A 50 LEU HDx% A 105 GLU HBx 1.0 . 4.38 1170 1048 A 94 ARG H A 94 ARG HBx 1.0 . 3.81 1171 1049 A 94 ARG HBx A 91 LEU HA 1.0 . 4.10 1172 1050 A 74 PHE HD% A 34 ARG HBy 1.0 . 4.99 1173 1051 A 95 LYS H A 94 ARG HBx 1.0 . 5.13 1174 1052 A 94 ARG HDy A 94 ARG HBx 1.0 . 3.98 1175 1053 A 94 ARG HBx A 91 LEU HDy% 1.0 . 5.50 1176 1054 A 73 SER H A 72 LEU HG 1.0 . 4.93 1177 1055 A 72 LEU H A 72 LEU HG 1.0 . 4.32 1178 1056 A 72 LEU HG A 83 PHE HD% 1.0 . 4.64 1179 1057 A 98 LEU HDy% A 97 GLN HBy 1.0 . 5.50 1180 1058 A 97 GLN H A 97 GLN HBx 1.0 . 2.95 1181 1059 A 105 GLU HBx A 104 ALA HB% 1.0 . 5.50 1182 1060 A 74 PHE HD% A 34 ARG HBx 1.0 . 4.83 1183 1061 A 97 GLN HBx A 97 GLN HGx 1.0 . 2.93 1184 1061 A 97 GLN HGy A 97 GLN HBx 1.0 . 2.93 1185 1062 A 98 LEU H A 97 GLN HBx 1.0 . 3.66 1186 1063 A 36 HIS H A 36 HIS HBy 1.0 . 3.83 1187 1064 A 11 HIS HBy A 16 THR HA 1.0 . 4.31 1188 1065 A 91 LEU HDy% A 36 HIS HBy 1.0 . 4.12 1189 1066 A 64 PRO HGy A 70 LEU HDy% 1.0 . 5.42 1190 1066 A 64 PRO HGx A 70 LEU HDy% 1.0 . 5.42 1191 1067 A 63 GLU HA A 64 PRO HGx 1.0 . 4.36 1192 1067 A 63 GLU HA A 64 PRO HGy 1.0 . 4.36 1193 1068 A 21 TYR H A 20 ARG HGy 1.0 . 5.23 1194 1069 A 20 ARG H A 20 ARG HGy 1.0 . 5.32 1195 1070 A 21 TYR H A 20 ARG HGx 1.0 . 4.44 1196 1071 A 20 ARG H A 20 ARG HGx 1.0 . 4.93 1197 1072 A 94 ARG H A 98 LEU HDx% 1.0 . 4.70 1198 1073 A 98 LEU HDx% A 91 LEU HA 1.0 . 3.22 1199 1074 A 88 LEU HG A 89 TYR H 1.0 . 5.33 1200 1075 A 87 TYR HBy A 88 LEU HG 1.0 . 4.20 1201 1076 A 32 PHE HBx A 29 PRO HGx 1.0 . 5.22 1202 1076 A 32 PHE HBx A 29 PRO HGy 1.0 . 5.22 1203 1077 A 94 ARG HA A 94 ARG HGy 1.0 . 3.98 1204 1078 A 28 LEU H A 28 LEU HG 1.0 . 3.68 1205 1079 A 28 LEU HG A 27 ASP HA 1.0 . 4.63 1206 1080 A 28 LEU HG A 28 LEU HA 1.0 . 3.93 1207 1081 A 94 ARG HA A 94 ARG HGx 1.0 . 3.70 1208 1082 A 10 LEU HG A 12 LYS HA 1.0 . 4.45 1209 1083 A 97 GLN H A 98 LEU HDx% 1.0 . 5.50 1210 1084 A 98 LEU HDx% A 32 PHE HE% 1.0 . 3.62 1211 1085 A 95 LYS H A 98 LEU HDx% 1.0 . 5.16 1212 1086 A 98 LEU HA A 98 LEU HDx% 1.0 . 4.13 1213 1087 A 98 LEU HDx% A 94 ARG HDy 1.0 . 4.69 1214 1088 A 94 ARG HA A 98 LEU HDx% 1.0 . 4.54 1215 1089 A 98 LEU HDx% A 95 LYS HA 1.0 . 3.90 1216 1090 A 98 LEU HBy A 98 LEU HDx% 1.0 . 3.29 1217 1091 A 112 SER H A 111 LYS HDx 1.0 . 4.90 1218 1092 A 52 TYR HD% A 111 LYS HDx 1.0 . 5.16 1219 1093 A 49 VAL H A 48 PRO HGy 1.0 . 4.64 1220 1093 A 49 VAL H A 48 PRO HGx 1.0 . 4.64 1221 1094 A 47 ASN HA A 48 PRO HGy 1.0 . 4.73 1222 1094 A 47 ASN HA A 48 PRO HGx 1.0 . 4.73 1223 1095 A 99 TRP H A 98 LEU HG 1.0 . 5.09 1224 1096 A 32 PHE HE% A 98 LEU HG 1.0 . 5.45 1225 1097 A 91 LEU HDy% A 98 LEU HG 1.0 . 5.37 1226 1098 A 34 ARG H A 33 LEU HG 1.0 . 4.93 1227 1099 A 59 LEU HA A 59 LEU HG 1.0 . 4.11 1228 1100 A 59 LEU H A 59 LEU HG 1.0 . 4.38 1229 1101 A 30 ALA HA A 59 LEU HG 1.0 . 4.88 1230 1102 A 99 TRP H A 98 LEU HDx% 1.0 . 4.84 1231 1103 A 98 LEU H A 98 LEU HDx% 1.0 . 3.72 1232 1104 A 112 SER HBx A 117 GLU HBx 1.0 . 4.04 1233 1105 A 48 PRO HGx A 49 VAL HGx% 1.0 . 5.21 1234 1105 A 48 PRO HGy A 49 VAL HGx% 1.0 . 5.21 1235 1105 A 49 VAL HGy% A 48 PRO HGy 1.0 . 5.21 1236 1105 A 49 VAL HGy% A 48 PRO HGx 1.0 . 5.21 1237 1106 A 4 ILE HG2% A 5 PRO HGy 1.0 . 5.37 1238 1107 A 94 ARG HGx A 91 LEU HA 1.0 . 4.84 1239 1108 A 19 LEU HG A 17 LEU HG 1.0 . 3.96 1240 1109 A 19 LEU H A 19 LEU HDx% 1.0 . 4.14 1241 1110 A 89 TYR HE% A 19 LEU HDx% 1.0 . 4.17 1242 1111 A 19 LEU HDx% A 19 LEU HA 1.0 . 4.39 1243 1112 A 88 LEU HA A 19 LEU HDx% 1.0 . 4.92 1244 1113 A 19 LEU HDx% A 92 ALA HA 1.0 . 4.95 1245 1114 A 88 LEU HBy A 19 LEU HDx% 1.0 . 4.51 1246 1115 A 19 LEU HBy A 19 LEU HDx% 1.0 . 3.28 1247 1116 A 19 LEU HBx A 19 LEU HDx% 1.0 . 3.04 1248 1117 A 8 ILE H A 8 ILE HG1x 1.0 . 4.69 1249 1118 A 28 LEU H A 33 LEU HDx% 1.0 . 4.96 1250 1119 A 74 PHE HD% A 34 ARG HGx 1.0 . 4.53 1251 1119 A 74 PHE HD% A 34 ARG HGy 1.0 . 4.53 1252 1120 A 74 PHE HE% A 33 LEU HDx% 1.0 . 5.44 1253 1121 A 33 LEU HDx% A 30 ALA HA 1.0 . 3.55 1254 1122 A 33 LEU HDx% A 33 LEU HA 1.0 . 4.02 1255 1123 A 17 LEU HBy A 33 LEU HDx% 1.0 . 3.45 1256 1124 A 33 LEU HBx A 33 LEU HDx% 1.0 . 3.35 1257 1125 A 72 LEU HDy% A 33 LEU HDx% 1.0 . 3.48 1258 1126 A 72 LEU HDx% A 33 LEU HDx% 1.0 . 3.88 1259 1127 A 80 SER HBy A 81 GLY H 1.0 . 4.66 1260 1128 A 83 PHE HEx A 80 SER HBy 1.0 . 5.13 1261 1129 A 81 GLY H A 80 SER HBx 1.0 . 4.51 1262 1130 A 113 ARG H A 112 SER HBy 1.0 . 4.48 1263 1131 A 114 ASP H A 112 SER HBy 1.0 . 4.03 1264 1132 A 112 SER H A 112 SER HBy 1.0 . 3.93 1265 1133 A 112 SER HA A 112 SER HBy 1.0 . 2.91 1266 1134 A 114 ASP HBy A 112 SER HBy 1.0 . 5.06 1267 1135 A 117 GLU HBy A 112 SER HBy 1.0 . 4.98 1268 1136 A 117 GLU HBx A 112 SER HBy 1.0 . 4.43 1269 1137 A 112 SER HBx A 112 SER H 1.0 . 3.34 1270 1138 A 112 SER HBx A 114 ASP HBy 1.0 . 4.82 1271 1139 A 112 SER HBx A 111 LYS HBx 1.0 . 5.47 1272 1140 A 26 TYR H A 25 SER HBy 1.0 . 3.92 1273 1141 A 25 SER H A 25 SER HBy 1.0 . 3.51 1274 1142 A 26 TYR H A 25 SER HBx 1.0 . 3.84 1275 1143 A 25 SER H A 25 SER HBx 1.0 . 3.48 1276 1144 A 18 THR HG2% A 25 SER HBx 1.0 . 4.03 1277 1145 A 5 PRO HGy A 85 TRP HZ3 1.0 . 5.17 1278 1146 A 89 TYR HE% A 5 PRO HGy 1.0 . 4.63 1279 1147 A 19 LEU HDy% A 5 PRO HGy 1.0 . 3.70 1280 1148 A 85 TRP HZ3 A 5 PRO HGx 1.0 . 4.28 1281 1149 A 89 TYR HE% A 5 PRO HGx 1.0 . 5.01 1282 1150 A 17 LEU H A 17 LEU HG 1.0 . 5.29 1283 1151 A 18 THR H A 17 LEU HG 1.0 . 4.30 1284 1152 A 18 THR HA A 17 LEU HG 1.0 . 5.31 1285 1153 A 19 LEU HDy% A 17 LEU HG 1.0 . 3.88 1286 1154 A 38 PRO HGx A 87 TYR HE% 1.0 . 5.00 1287 1155 A 8 ILE HA A 8 ILE HG1x 1.0 . 4.00 1288 1156 A 33 LEU H A 33 LEU HDx% 1.0 . 3.79 1289 1157 A 33 LEU HDx% A 28 LEU HBx 1.0 . 3.31 1290 1158 A 113 ARG H A 106 LEU HG 1.0 . 3.77 1291 1159 A 112 SER HA A 106 LEU HG 1.0 . 3.25 1292 1160 A 113 ARG HA A 106 LEU HG 1.0 . 3.89 1293 1161 A 106 LEU HA A 106 LEU HG 1.0 . 3.54 1294 1162 A 52 TYR HBx A 106 LEU HG 1.0 . 3.77 1295 1163 A 113 ARG HGy A 106 LEU HG 1.0 . 3.69 1296 1164 A 113 ARG HGx A 106 LEU HG 1.0 . 3.50 1297 1165 A 106 LEU HBx A 106 LEU HG 1.0 . 2.93 1298 1166 A 112 SER HBx A 117 GLU HBy 1.0 . 4.38 1299 1167 A 116 ASP H A 115 PRO HGy 1.0 . 4.55 1300 1168 A 56 ASN HD2x A 115 PRO HGy 1.0 . 5.05 1301 1169 A 115 PRO HGy A 114 ASP HA 1.0 . 4.54 1302 1170 A 4 ILE H A 4 ILE HG1y 1.0 . 3.53 1303 1171 A 4 ILE HG1y A 4 ILE HA 1.0 . 3.88 1304 1172 A 4 ILE HG1x A 5 PRO HDx 1.0 . 4.99 1305 1173 A 4 ILE HG1x A 4 ILE H 1.0 . 4.00 1306 1174 A 4 ILE HG1x A 4 ILE HA 1.0 . 3.72 1307 1175 A 115 PRO HGx A 114 ASP HA 1.0 . 4.53 1308 1176 A 50 LEU HG A 106 LEU HDx% 1.0 . 4.66 1309 1177 A 74 PHE H A 73 SER HBx 1.0 . 4.59 1310 1178 A 61 GLY HAx A 73 SER HBx 1.0 . 4.56 1311 1179 A 55 LEU HA A 55 LEU HG 1.0 . 4.14 1312 1180 A 50 LEU HBy A 50 LEU HDx% 1.0 . 3.20 1313 1181 A 51 GLN H A 50 LEU HDx% 1.0 . 4.83 1314 1182 A 50 LEU H A 50 LEU HDx% 1.0 . 4.41 1315 1183 A 50 LEU HDx% A 50 LEU HA 1.0 . 4.17 1316 1184 A 91 LEU HDx% A 36 HIS HA 1.0 . 5.50 1317 1185 A 87 TYR HD% A 91 LEU HDx% 1.0 . 3.82 1318 1186 A 87 TYR HA A 91 LEU HDx% 1.0 . 5.25 1319 1187 A 88 LEU HA A 91 LEU HDx% 1.0 . 3.57 1320 1188 A 91 LEU HDx% A 36 HIS HBy 1.0 . 3.75 1321 1189 A 36 HIS HBx A 91 LEU HDx% 1.0 . 4.26 1322 1190 A 91 LEU HBy A 91 LEU HDx% 1.0 . 3.44 1323 1191 A 91 LEU HDx% A 88 LEU HDx% 1.0 . 3.61 1324 1191 A 88 LEU HDy% A 91 LEU HDx% 1.0 . 3.61 1325 1192 A 74 PHE H A 73 SER HBy 1.0 . 4.38 1326 1193 A 60 VAL H A 73 SER HBy 1.0 . 4.87 1327 1194 A 73 SER H A 73 SER HBy 1.0 . 3.70 1328 1195 A 61 GLY H A 73 SER HBy 1.0 . 3.91 1329 1196 A 60 VAL HB A 73 SER HBy 1.0 . 4.19 1330 1197 A 73 SER HBy A 79 ASP HBx 1.0 . 4.42 1331 1197 A 79 ASP HBy A 73 SER HBy 1.0 . 4.42 1332 1198 A 73 SER H A 73 SER HBx 1.0 . 3.47 1333 1199 A 73 SER HBx A 60 VAL HGx% 1.0 . 5.11 1334 1200 A 60 VAL H A 73 SER HBx 1.0 . 4.91 1335 1201 A 61 GLY H A 73 SER HBx 1.0 . 3.67 1336 1202 A 89 TYR HD% A 3 ARG HGx 1.0 . 5.06 1337 1202 A 89 TYR HD% A 3 ARG HGy 1.0 . 5.06 1338 1203 A 21 TYR HD% A 3 ARG HGx 1.0 . 5.20 1339 1203 A 3 ARG HGy A 21 TYR HD% 1.0 . 5.20 1340 1204 A 28 LEU HDy% A 27 ASP H 1.0 . 4.91 1341 1205 A 28 LEU HDy% A 28 LEU HA 1.0 . 4.14 1342 1206 A 28 LEU HDy% A 92 ALA HA 1.0 . 3.66 1343 1207 A 28 LEU HDy% A 95 LYS HEy 1.0 . 4.66 1344 1208 A 28 LEU HBy A 28 LEU HDy% 1.0 . 3.41 1345 1209 A 55 LEU H A 55 LEU HDx% 1.0 . 4.37 1346 1210 A 55 LEU HDx% A 56 ASN HD2y 1.0 . 4.85 1347 1211 A 55 LEU HDx% A 114 ASP HA 1.0 . 3.62 1348 1212 A 55 LEU HDx% A 55 LEU HA 1.0 . 3.95 1349 1213 A 106 LEU HA A 50 LEU HDx% 1.0 . 3.48 1350 1214 A 50 LEU HDx% A 52 TYR HBy 1.0 . 5.24 1351 1215 A 91 LEU H A 91 LEU HDx% 1.0 . 3.97 1352 1216 A 60 VAL H A 59 LEU HDy% 1.0 . 4.06 1353 1217 A 73 SER H A 59 LEU HDy% 1.0 . 4.16 1354 1218 A 74 PHE HD% A 59 LEU HDy% 1.0 . 3.99 1355 1219 A 61 GLY H A 59 LEU HDy% 1.0 . 4.22 1356 1220 A 74 PHE HE% A 59 LEU HDy% 1.0 . 4.76 1357 1221 A 74 PHE HA A 59 LEU HDy% 1.0 . 4.41 1358 1222 A 59 LEU HDy% A 30 ALA HA 1.0 . 4.24 1359 1223 A 17 LEU HBy A 59 LEU HDy% 1.0 . 4.34 1360 1224 A 30 ALA HB% A 59 LEU HDy% 1.0 . 4.08 1361 1225 A 59 LEU HBx A 59 LEU HDy% 1.0 . 2.85 1362 1226 A 18 THR H A 17 LEU HDx% 1.0 . 4.90 1363 1227 A 17 LEU H A 17 LEU HDx% 1.0 . 4.68 1364 1228 A 17 LEU HDx% A 17 LEU HA 1.0 . 4.28 1365 1229 A 28 LEU HBy A 17 LEU HDx% 1.0 . 4.70 1366 1230 A 17 LEU HBy A 17 LEU HDx% 1.0 . 3.32 1367 1231 A 17 LEU HBx A 17 LEU HDx% 1.0 . 2.78 1368 1232 A 72 LEU HDy% A 17 LEU HDx% 1.0 . 3.62 1369 1233 A 39 SER HBy A 78 HIS HE1 1.0 . 4.39 1370 1234 A 113 ARG H A 113 ARG HGy 1.0 . 5.00 1371 1235 A 112 SER HA A 113 ARG HGy 1.0 . 4.45 1372 1236 A 113 ARG H A 113 ARG HGx 1.0 . 4.41 1373 1237 A 12 LYS HGy A 12 LYS HEx 1.0 . 4.12 1374 1237 A 12 LYS HGy A 12 LYS HEy 1.0 . 4.12 1375 1238 A 12 LYS HGy A 10 LEU HDy% 1.0 . 4.35 1376 1239 A 19 LEU HDx% A 17 LEU HDx% 1.0 . 4.03 1377 1240 A 72 LEU HDx% A 17 LEU HDx% 1.0 . 4.14 1378 1241 A 39 SER H A 39 SER HBy 1.0 . 3.46 1379 1242 A 39 SER HBy A 42 VAL HGx% 1.0 . 4.37 1380 1242 A 42 VAL HGy% A 39 SER HBy 1.0 . 4.37 1381 1243 A 39 SER HBx A 78 HIS HE1 1.0 . 4.47 1382 1244 A 38 PRO HDx A 37 SER HBx 1.0 . 5.45 1383 1245 A 39 SER HBx A 42 VAL HGx% 1.0 . 4.29 1384 1245 A 39 SER HBx A 42 VAL HGy% 1.0 . 4.29 1385 1246 A 12 LYS H A 12 LYS HGx 1.0 . 4.67 1386 1247 A 12 LYS HGx A 12 LYS HEx 1.0 . 4.06 1387 1247 A 12 LYS HEy A 12 LYS HGx 1.0 . 4.06 1388 1248 A 85 TRP HA A 88 LEU HDx% 1.0 . 3.88 1389 1248 A 88 LEU HDy% A 85 TRP HA 1.0 . 3.88 1390 1249 A 83 PHE HBy A 88 LEU HDx% 1.0 . 4.04 1391 1249 A 88 LEU HDy% A 83 PHE HBy 1.0 . 4.04 1392 1250 A 83 PHE HBx A 88 LEU HDx% 1.0 . 3.91 1393 1250 A 88 LEU HDy% A 83 PHE HBx 1.0 . 3.91 1394 1251 A 88 LEU HBy A 88 LEU HDx% 1.0 . 3.51 1395 1251 A 88 LEU HDy% A 88 LEU HBy 1.0 . 3.51 1396 1252 A 19 LEU HDx% A 88 LEU HDx% 1.0 . 3.62 1397 1252 A 88 LEU HDy% A 19 LEU HDx% 1.0 . 3.62 1398 1253 A 85 TRP HBy A 88 LEU HDx% 1.0 . 5.14 1399 1253 A 85 TRP HBy A 88 LEU HDy% 1.0 . 5.14 1400 1254 A 118 SER H A 118 SER HBx 1.0 . 3.12 1401 1254 A 118 SER H A 118 SER HBy 1.0 . 3.12 1402 1255 A 119 VAL H A 118 SER HBx 1.0 . 4.07 1403 1255 A 119 VAL H A 118 SER HBy 1.0 . 4.07 1404 1256 A 118 SER HA A 118 SER HBx 1.0 . 2.71 1405 1256 A 118 SER HBy A 118 SER HA 1.0 . 2.71 1406 1257 A 118 SER HBx A 119 VAL HGx% 1.0 . 4.44 1407 1257 A 118 SER HBy A 119 VAL HGx% 1.0 . 4.44 1408 1257 A 119 VAL HGy% A 118 SER HBx 1.0 . 4.44 1409 1257 A 119 VAL HGy% A 118 SER HBy 1.0 . 4.44 1410 1258 A 93 THR HA A 93 THR HB 1.0 . 2.92 1411 1259 A 92 ALA HB% A 93 THR HA 1.0 . 4.60 1412 1260 A 93 THR HG2% A 93 THR HA 1.0 . 3.15 1413 1261 A 91 LEU HG A 91 LEU HA 1.0 . 4.20 1414 1262 A 71 LYS H A 70 LEU HG 1.0 . 4.76 1415 1263 A 85 TRP HZ3 A 70 LEU HG 1.0 . 5.35 1416 1264 A 70 LEU HA A 70 LEU HG 1.0 . 4.19 1417 1265 A 70 LEU HG A 85 TRP HH2 1.0 . 5.30 1418 1266 A 38 PRO HDy A 37 SER HBx 1.0 . 5.45 1419 1267 A 94 ARG HA A 93 THR HA 1.0 . 4.82 1420 1268 A 99 TRP HE1 A 103 LEU HG 1.0 . 5.48 1421 1269 A 72 LEU HDy% A 73 SER H 1.0 . 4.18 1422 1270 A 72 LEU HDy% A 72 LEU HA 1.0 . 3.15 1423 1271 A 72 LEU HDy% A 33 LEU HBy 1.0 . 4.81 1424 1272 A 72 LEU HDy% A 62 VAL HB 1.0 . 4.15 1425 1273 A 72 LEU HDy% A 72 LEU HBy 1.0 . 3.79 1426 1274 A 72 LEU HDy% A 62 VAL HGx% 1.0 . 2.92 1427 1274 A 62 VAL HGy% A 72 LEU HDy% 1.0 . 2.92 1428 1275 A 115 PRO HA A 116 ASP H 1.0 . 3.49 1429 1276 A 38 PRO HDy A 37 SER HBy 1.0 . 4.97 1430 1277 A 103 LEU H A 103 LEU HDx% 1.0 . 3.50 1431 1278 A 104 ALA H A 103 LEU HDx% 1.0 . 4.47 1432 1279 A 100 ALA HA A 103 LEU HDx% 1.0 . 3.47 1433 1280 A 103 LEU HA A 103 LEU HDx% 1.0 . 4.02 1434 1281 A 103 LEU HBy A 103 LEU HDx% 1.0 . 3.12 1435 1282 A 4 ILE HG2% A 5 PRO HA 1.0 . 5.35 1436 1283 A 106 LEU HBy A 106 LEU HDy% 1.0 . 4.05 1437 1284 A 10 LEU HDx% A 61 GLY H 1.0 . 4.65 1438 1285 A 10 LEU HDx% A 10 LEU HA 1.0 . 4.17 1439 1286 A 10 LEU HDx% A 61 GLY HAx 1.0 . 3.50 1440 1287 A 10 LEU HDx% A 12 LYS HEx 1.0 . 3.93 1441 1287 A 10 LEU HDx% A 12 LYS HEy 1.0 . 3.93 1442 1288 A 10 LEU HBy A 10 LEU HDx% 1.0 . 2.97 1443 1289 A 10 LEU HDx% A 12 LYS HGy 1.0 . 3.87 1444 1290 A 10 LEU HDx% A 59 LEU HDy% 1.0 . 4.29 1445 1291 A 99 TRP HE1 A 103 LEU HDx% 1.0 . 3.49 1446 1292 A 49 VAL H A 48 PRO HA 1.0 . 2.52 1447 1293 A 48 PRO HA A 49 VAL HGx% 1.0 . 3.80 1448 1293 A 49 VAL HGy% A 48 PRO HA 1.0 . 3.80 1449 1294 A 58 GLY H A 57 VAL HA 1.0 . 2.71 1450 1295 A 57 VAL HA A 58 GLY HAy 1.0 . 4.34 1451 1296 A 56 ASN H A 57 VAL HA 1.0 . 5.02 1452 1297 A 11 HIS HBy A 14 SER HBy 1.0 . 4.88 1453 1298 A 16 THR HG2% A 14 SER HBy 1.0 . 5.06 1454 1299 A 7 ALA H A 6 SER HBy 1.0 . 4.18 1455 1300 A 15 LYS H A 14 SER HBy 1.0 . 5.12 1456 1301 A 107 ALA HB% A 108 SER HBx 1.0 . 4.40 1457 1302 A 35 VAL HA A 51 GLN HBy 1.0 . 3.95 1458 1303 A 39 SER H A 38 PRO HA 1.0 . 3.04 1459 1304 A 15 LYS HGy A 58 GLY HAx 1.0 . 4.79 1460 1305 A 15 LYS HGy A 58 GLY HAy 1.0 . 4.95 1461 1306 A 15 LYS HGx A 58 GLY HAx 1.0 . 4.92 1462 1307 A 15 LYS HGx A 15 LYS HA 1.0 . 4.06 1463 1308 A 15 LYS HGx A 15 LYS HEy 1.0 . 4.00 1464 1309 A 72 LEU H A 71 LYS HGy 1.0 . 4.84 1465 1310 A 19 LEU HDy% A 8 ILE HG1y 1.0 . 3.93 1466 1311 A 28 LEU H A 28 LEU HDx% 1.0 . 4.17 1467 1312 A 28 LEU HDx% A 92 ALA H 1.0 . 4.09 1468 1313 A 28 LEU HDx% A 32 PHE HD% 1.0 . 3.27 1469 1314 A 29 PRO HDy A 28 LEU HDx% 1.0 . 4.19 1470 1315 A 28 LEU HDx% A 92 ALA HA 1.0 . 3.07 1471 1316 A 28 LEU HBy A 28 LEU HDx% 1.0 . 3.77 1472 1317 A 28 LEU HDx% A 91 LEU HBy 1.0 . 4.45 1473 1318 A 71 LYS H A 71 LYS HGx 1.0 . 5.19 1474 1319 A 72 LEU H A 71 LYS HGx 1.0 . 4.70 1475 1320 A 9 GLN H A 19 LEU HDy% 1.0 . 4.17 1476 1321 A 19 LEU HDy% A 20 ARG H 1.0 . 3.98 1477 1322 A 19 LEU HDy% A 19 LEU HA 1.0 . 3.10 1478 1323 A 8 ILE HA A 19 LEU HDy% 1.0 . 3.51 1479 1324 A 19 LEU HBx A 19 LEU HDy% 1.0 . 3.26 1480 1325 A 59 LEU HDx% A 60 VAL H 1.0 . 4.03 1481 1326 A 59 LEU HDx% A 75 ASP H 1.0 . 4.45 1482 1327 A 59 LEU HDx% A 59 LEU H 1.0 . 4.60 1483 1328 A 74 PHE HD% A 59 LEU HDx% 1.0 . 4.31 1484 1329 A 59 LEU HDx% A 74 PHE HE% 1.0 . 5.23 1485 1330 A 59 LEU HDx% A 74 PHE HA 1.0 . 4.63 1486 1331 A 59 LEU HDx% A 59 LEU HA 1.0 . 3.62 1487 1332 A 59 LEU HDx% A 30 ALA HA 1.0 . 3.89 1488 1333 A 59 LEU HDx% A 30 ALA HB% 1.0 . 3.70 1489 1334 A 72 LEU H A 72 LEU HDx% 1.0 . 4.28 1490 1335 A 72 LEU HDx% A 83 PHE HEx 1.0 . 3.83 1491 1336 A 72 LEU HDx% A 72 LEU HA 1.0 . 3.74 1492 1337 A 72 LEU HDx% A 83 PHE HBy 1.0 . 4.21 1493 1338 A 72 LEU HDx% A 83 PHE HBx 1.0 . 4.75 1494 1339 A 72 LEU HDx% A 72 LEU HBy 1.0 . 3.64 1495 1340 A 72 LEU HDx% A 70 LEU HBy 1.0 . 3.42 1496 1340 A 72 LEU HDx% A 70 LEU HBx 1.0 . 3.42 1497 1341 A 120 VAL HA A 121 LYS HGx 1.0 . 4.96 1498 1341 A 120 VAL HA A 121 LYS HGy 1.0 . 4.96 1499 1342 A 71 LYS H A 70 LEU HDx% 1.0 . 4.25 1500 1343 A 63 GLU H A 70 LEU HDx% 1.0 . 4.78 1501 1344 A 85 TRP HZ3 A 70 LEU HDx% 1.0 . 3.93 1502 1345 A 70 LEU HDx% A 70 LEU HBy 1.0 . 2.71 1503 1345 A 70 LEU HBx A 70 LEU HDx% 1.0 . 2.71 1504 1346 A 42 VAL HA A 46 GLY H 1.0 . 3.83 1505 1347 A 42 VAL HA A 42 VAL HGx% 1.0 . 2.95 1506 1347 A 42 VAL HGy% A 42 VAL HA 1.0 . 2.95 1507 1348 A 121 LYS H A 120 VAL HA 1.0 . 2.99 1508 1349 A 42 VAL HA A 46 GLY HAy 1.0 . 3.86 1509 1350 A 85 TRP HH2 A 70 LEU HDx% 1.0 . 3.91 1510 1351 A 28 LEU H A 18 THR HA 1.0 . 3.69 1511 1352 A 19 LEU H A 18 THR HA 1.0 . 2.91 1512 1353 A 18 THR HA A 27 ASP HA 1.0 . 3.32 1513 1354 A 18 THR HA A 19 LEU HBy 1.0 . 4.87 1514 1355 A 19 LEU HG A 18 THR HA 1.0 . 4.70 1515 1356 A 30 ALA H A 29 PRO HA 1.0 . 3.02 1516 1357 A 120 VAL H A 119 VAL HA 1.0 . 2.83 1517 1358 A 119 VAL HA A 119 VAL HGx% 1.0 . 3.26 1518 1358 A 119 VAL HGy% A 119 VAL HA 1.0 . 3.26 1519 1359 A 16 THR HG2% A 29 PRO HA 1.0 . 3.68 1520 1360 A 70 LEU H A 70 LEU HDy% 1.0 . 4.62 1521 1361 A 85 TRP HZ3 A 70 LEU HDy% 1.0 . 4.28 1522 1362 A 49 VAL HA A 49 VAL HGx% 1.0 . 2.92 1523 1362 A 49 VAL HGy% A 49 VAL HA 1.0 . 2.92 1524 1363 A 93 THR HG2% A 89 TYR HA 1.0 . 5.44 1525 1364 A 50 LEU HDy% A 106 LEU HDx% 1.0 . 3.64 1526 1365 A 71 LYS H A 70 LEU HDy% 1.0 . 3.98 1527 1366 A 65 ALA H A 70 LEU HDy% 1.0 . 3.88 1528 1367 A 85 TRP HZ2 A 70 LEU HDy% 1.0 . 4.58 1529 1368 A 85 TRP HH2 A 70 LEU HDy% 1.0 . 3.58 1530 1369 A 70 LEU HA A 70 LEU HDy% 1.0 . 2.71 1531 1370 A 18 THR H A 17 LEU HDy% 1.0 . 3.46 1532 1371 A 17 LEU HDy% A 17 LEU HA 1.0 . 3.07 1533 1372 A 17 LEU HBy A 17 LEU HDy% 1.0 . 3.53 1534 1373 A 50 LEU H A 49 VAL HA 1.0 . 2.53 1535 1374 A 88 LEU HBx A 89 TYR HA 1.0 . 4.29 1536 1375 A 35 VAL HGy% A 32 PHE HA 1.0 . 5.29 1537 1376 A 70 LEU H A 69 ALA HB% 1.0 . 3.14 1538 1377 A 85 TRP H A 69 ALA HB% 1.0 . 4.29 1539 1378 A 69 ALA H A 69 ALA HB% 1.0 . 3.29 1540 1379 A 69 ALA HB% A 84 THR HA 1.0 . 3.18 1541 1380 A 51 GLN H A 50 LEU HDy% 1.0 . 3.41 1542 1381 A 50 LEU H A 50 LEU HDy% 1.0 . 4.41 1543 1382 A 50 LEU HDy% A 50 LEU HA 1.0 . 3.04 1544 1383 A 50 LEU HDy% A 106 LEU HA 1.0 . 4.14 1545 1384 A 50 LEU HDy% A 105 GLU HBx 1.0 . 3.63 1546 1385 A 17 LEU HDy% A 19 LEU HG 1.0 . 4.18 1547 1386 A 17 LEU HDy% A 72 LEU HDy% 1.0 . 3.32 1548 1387 A 11 HIS H A 10 LEU HDy% 1.0 . 3.18 1549 1388 A 10 LEU HBy A 10 LEU HDy% 1.0 . 3.40 1550 1389 A 50 LEU HDx% A 106 LEU HDx% 1.0 . 2.88 1551 1390 A 113 ARG H A 106 LEU HDx% 1.0 . 4.40 1552 1391 A 53 GLY H A 106 LEU HDx% 1.0 . 4.87 1553 1392 A 106 LEU H A 106 LEU HDx% 1.0 . 4.02 1554 1393 A 106 LEU HDx% A 112 SER H 1.0 . 4.33 1555 1394 A 106 LEU HDx% A 111 LYS H 1.0 . 4.61 1556 1395 A 112 SER HA A 106 LEU HDx% 1.0 . 3.52 1557 1396 A 106 LEU HDx% A 52 TYR HA 1.0 . 3.97 1558 1397 A 106 LEU HDx% A 111 LYS HA 1.0 . 4.77 1559 1398 A 106 LEU HA A 106 LEU HDx% 1.0 . 3.10 1560 1399 A 106 LEU HDx% A 52 TYR HBy 1.0 . 3.60 1561 1400 A 106 LEU HDx% A 52 TYR HBx 1.0 . 3.56 1562 1401 A 106 LEU HDx% A 113 ARG HGy 1.0 . 4.64 1563 1402 A 106 LEU HDx% A 113 ARG HGx 1.0 . 4.52 1564 1403 A 106 LEU HDx% A 106 LEU HBx 1.0 . 3.19 1565 1404 A 55 LEU HDy% A 113 ARG HE 1.0 . 3.97 1566 1405 A 55 LEU H A 55 LEU HDy% 1.0 . 4.46 1567 1406 A 56 ASN HD2y A 55 LEU HDy% 1.0 . 5.24 1568 1407 A 55 LEU HDy% A 55 LEU HA 1.0 . 2.94 1569 1408 A 113 ARG HBy A 55 LEU HDy% 1.0 . 3.71 1570 1409 A 113 ARG HGy A 55 LEU HDy% 1.0 . 5.31 1571 1410 A 58 GLY H A 57 VAL HGy% 1.0 . 3.16 1572 1411 A 31 GLU H A 57 VAL HGy% 1.0 . 5.09 1573 1412 A 75 ASP H A 57 VAL HGy% 1.0 . 3.69 1574 1413 A 76 ASP H A 57 VAL HGy% 1.0 . 3.77 1575 1414 A 57 VAL H A 57 VAL HGy% 1.0 . 3.91 1576 1415 A 74 PHE HD% A 57 VAL HGy% 1.0 . 4.54 1577 1416 A 57 VAL HGy% A 58 GLY HAx 1.0 . 4.10 1578 1417 A 57 VAL HA A 57 VAL HGy% 1.0 . 3.07 1579 1418 A 57 VAL HGy% A 58 GLY HAy 1.0 . 4.29 1580 1419 A 74 PHE HBx A 57 VAL HGy% 1.0 . 3.38 1581 1420 A 76 ASP HBy A 57 VAL HGy% 1.0 . 4.13 1582 1421 A 76 ASP HBx A 57 VAL HGy% 1.0 . 3.66 1583 1422 A 102 TYR HA A 105 GLU HBx 1.0 . 4.01 1584 1423 A 108 SER HBx A 108 SER HA 1.0 . 2.55 1585 1424 A 107 ALA HB% A 108 SER HA 1.0 . 4.41 1586 1425 A 109 ALA HB% A 108 SER HA 1.0 . 5.25 1587 1426 A 85 TRP H A 84 THR HA 1.0 . 3.22 1588 1427 A 102 TYR HA A 106 LEU H 1.0 . 4.38 1589 1428 A 102 TYR HA A 104 ALA HB% 1.0 . 5.33 1590 1429 A 104 ALA H A 102 TYR HA 1.0 . 5.05 1591 1430 A 102 TYR HA A 105 GLU HBy 1.0 . 3.74 1592 1431 A 34 ARG H A 33 LEU HDy% 1.0 . 4.97 1593 1432 A 72 LEU HDx% A 33 LEU HDy% 1.0 . 4.03 1594 1433 A 70 LEU H A 84 THR HA 1.0 . 4.21 1595 1434 A 33 LEU H A 33 LEU HDy% 1.0 . 4.16 1596 1435 A 83 PHE HEx A 33 LEU HDy% 1.0 . 4.55 1597 1436 A 32 PHE HD% A 33 LEU HDy% 1.0 . 4.02 1598 1437 A 74 PHE HE% A 33 LEU HDy% 1.0 . 5.25 1599 1438 A 33 LEU HA A 33 LEU HDy% 1.0 . 3.08 1600 1439 A 33 LEU HBy A 33 LEU HDy% 1.0 . 3.76 1601 1440 A 98 LEU HDy% A 98 LEU H 1.0 . 3.79 1602 1441 A 98 LEU HDy% A 32 PHE HE% 1.0 . 4.48 1603 1442 A 98 LEU HDy% A 98 LEU HA 1.0 . 2.83 1604 1443 A 98 LEU HDy% A 101 ASP HBy 1.0 . 4.41 1605 1444 A 98 LEU HDy% A 98 LEU HBy 1.0 . 3.79 1606 1445 A 98 LEU HDy% A 98 LEU HBx 1.0 . 3.29 1607 1446 A 98 LEU HDy% A 91 LEU HDy% 1.0 . 4.51 1608 1447 A 101 ASP HBx A 98 LEU HDy% 1.0 . 5.18 1609 1448 A 95 LYS HGx A 96 ASP HA 1.0 . 5.26 1610 1449 A 63 GLU H A 62 VAL HA 1.0 . 2.90 1611 1450 A 15 LYS H A 12 LYS HA 1.0 . 4.12 1612 1451 A 12 LYS HA A 12 LYS HEx 1.0 . 5.33 1613 1451 A 12 LYS HEy A 12 LYS HA 1.0 . 5.33 1614 1452 A 12 LYS HGy A 12 LYS HA 1.0 . 3.86 1615 1453 A 12 LYS HA A 12 LYS HGx 1.0 . 3.49 1616 1454 A 10 LEU HDy% A 12 LYS HA 1.0 . 3.93 1617 1455 A 97 GLN H A 95 LYS HA 1.0 . 5.11 1618 1456 A 99 TRP H A 95 LYS HA 1.0 . 4.67 1619 1457 A 98 LEU H A 95 LYS HA 1.0 . 4.44 1620 1458 A 95 LYS HA A 32 PHE HE% 1.0 . 3.22 1621 1459 A 98 LEU HBy A 95 LYS HA 1.0 . 3.84 1622 1460 A 95 LYS HGy A 95 LYS HA 1.0 . 3.93 1623 1461 A 95 LYS HGx A 95 LYS HA 1.0 . 3.66 1624 1462 A 95 LYS H A 95 LYS HGy 1.0 . 4.63 1625 1463 A 95 LYS H A 95 LYS HGx 1.0 . 4.63 1626 1464 A 72 LEU HDy% A 62 VAL HA 1.0 . 4.28 1627 1465 A 62 VAL HA A 62 VAL HGx% 1.0 . 3.75 1628 1465 A 62 VAL HGy% A 62 VAL HA 1.0 . 3.75 1629 1466 A 87 TYR HA A 88 LEU HA 1.0 . 4.63 1630 1467 A 94 ARG H A 95 LYS HA 1.0 . 4.80 1631 1468 A 94 ARG HA A 95 LYS HA 1.0 . 4.90 1632 1469 A 95 LYS HA A 91 LEU HA 1.0 . 4.48 1633 1470 A 87 TYR HA A 87 TYR HE% 1.0 . 4.44 1634 1471 A 87 TYR HA A 91 LEU H 1.0 . 4.94 1635 1472 A 91 LEU H A 91 LEU HDy% 1.0 . 3.82 1636 1473 A 32 PHE HE% A 91 LEU HDy% 1.0 . 3.48 1637 1474 A 91 LEU HA A 91 LEU HDy% 1.0 . 2.87 1638 1475 A 36 HIS HBx A 91 LEU HDy% 1.0 . 3.91 1639 1476 A 90 GLU HBy A 91 LEU HDy% 1.0 . 5.19 1640 1477 A 91 LEU HBy A 91 LEU HDy% 1.0 . 3.88 1641 1478 A 98 LEU HDx% A 91 LEU HDy% 1.0 . 3.25 1642 1479 A 84 THR HG2% A 86 ASP H 1.0 . 4.70 1643 1480 A 84 THR HG2% A 85 TRP H 1.0 . 4.06 1644 1481 A 84 THR HG2% A 84 THR HA 1.0 . 3.14 1645 1482 A 85 TRP HBx A 84 THR HG2% 1.0 . 4.76 1646 1483 A 68 TYR HBx A 84 THR HG2% 1.0 . 4.94 1647 1484 A 84 THR HG2% A 69 ALA HB% 1.0 . 3.40 1648 1485 A 9 GLN H A 7 ALA HB% 1.0 . 5.28 1649 1486 A 7 ALA HB% A 6 SER H 1.0 . 4.85 1650 1487 A 7 ALA H A 7 ALA HB% 1.0 . 3.41 1651 1488 A 7 ALA HB% A 9 GLN HE2x 1.0 . 5.13 1652 1489 A 8 ILE HA A 7 ALA HB% 1.0 . 4.34 1653 1490 A 7 ALA HB% A 6 SER HBy 1.0 . 4.80 1654 1491 A 7 ALA HB% A 6 SER HBx 1.0 . 4.81 1655 1492 A 7 ALA HB% A 20 ARG HDy 1.0 . 4.00 1656 1493 A 7 ALA HB% A 20 ARG HDx 1.0 . 4.07 1657 1494 A 9 GLN HBy A 7 ALA HB% 1.0 . 4.65 1658 1495 A 20 ARG HBy A 7 ALA HB% 1.0 . 3.25 1659 1496 A 20 ARG HBx A 7 ALA HB% 1.0 . 3.15 1660 1497 A 19 LEU HDy% A 7 ALA HB% 1.0 . 4.17 1661 1498 A 99 TRP HE1 A 103 LEU HDy% 1.0 . 4.08 1662 1499 A 103 LEU HDy% A 113 ARG HE 1.0 . 5.25 1663 1500 A 104 ALA H A 103 LEU HDy% 1.0 . 4.93 1664 1501 A 100 ALA HA A 103 LEU HDy% 1.0 . 4.75 1665 1502 A 103 LEU HA A 103 LEU HDy% 1.0 . 2.83 1666 1503 A 103 LEU HBy A 103 LEU HDy% 1.0 . 3.66 1667 1504 A 103 LEU HDy% A 103 LEU HBx 1.0 . 3.30 1668 1505 A 31 GLU HA A 34 ARG HBy 1.0 . 3.77 1669 1506 A 34 ARG H A 31 GLU HA 1.0 . 4.20 1670 1507 A 31 GLU HA A 57 VAL HGy% 1.0 . 5.18 1671 1508 A 31 GLU HA A 34 ARG HBx 1.0 . 4.41 1672 1509 A 20 ARG H A 18 THR HG2% 1.0 . 4.90 1673 1510 A 9 GLN HBx A 18 THR HG2% 1.0 . 4.41 1674 1511 A 93 THR H A 90 GLU HA 1.0 . 4.19 1675 1512 A 18 THR H A 18 THR HG2% 1.0 . 4.05 1676 1513 A 19 LEU H A 18 THR HG2% 1.0 . 3.23 1677 1514 A 18 THR HA A 18 THR HG2% 1.0 . 3.24 1678 1515 A 18 THR HG2% A 27 ASP HA 1.0 . 4.21 1679 1516 A 18 THR HG2% A 19 LEU HA 1.0 . 4.96 1680 1517 A 18 THR HG2% A 25 SER HBy 1.0 . 3.94 1681 1518 A 18 THR HG2% A 9 GLN HGx 1.0 . 4.86 1682 1518 A 18 THR HG2% A 9 GLN HGy 1.0 . 4.86 1683 1519 A 9 GLN HBy A 18 THR HG2% 1.0 . 4.45 1684 1520 A 60 VAL H A 60 VAL HGx% 1.0 . 3.76 1685 1521 A 75 ASP H A 60 VAL HGx% 1.0 . 4.14 1686 1522 A 75 ASP HA A 60 VAL HGx% 1.0 . 3.83 1687 1523 A 60 VAL HA A 60 VAL HGx% 1.0 . 3.14 1688 1524 A 75 ASP HBy A 60 VAL HGx% 1.0 . 3.69 1689 1525 A 102 TYR HBx A 99 TRP HA 1.0 . 3.90 1690 1526 A 102 TYR H A 99 TRP HA 1.0 . 3.93 1691 1527 A 21 TYR HD% A 90 GLU HA 1.0 . 4.70 1692 1528 A 61 GLY H A 60 VAL HGx% 1.0 . 4.19 1693 1529 A 73 SER HBy A 60 VAL HGx% 1.0 . 5.12 1694 1530 A 75 ASP HBx A 60 VAL HGx% 1.0 . 3.41 1695 1531 A 16 THR HG2% A 27 ASP HA 1.0 . 3.97 1696 1532 A 16 THR HG2% A 28 LEU H 1.0 . 3.64 1697 1533 A 16 THR HG2% A 17 LEU H 1.0 . 3.32 1698 1534 A 16 THR HG2% A 16 THR HA 1.0 . 2.91 1699 1535 A 16 THR HG2% A 27 ASP HBy 1.0 . 4.22 1700 1536 A 85 TRP HA A 88 LEU HBy 1.0 . 4.12 1701 1537 A 5 PRO HBx A 6 SER HA 1.0 . 4.89 1702 1538 A 7 ALA HB% A 6 SER HA 1.0 . 5.47 1703 1539 A 4 ILE HG2% A 6 SER HA 1.0 . 5.18 1704 1540 A 85 TRP HA A 85 TRP HE3 1.0 . 3.36 1705 1541 A 105 GLU HA A 105 GLU HGx 1.0 . 3.55 1706 1542 A 105 GLU HA A 109 ALA HB% 1.0 . 4.98 1707 1543 A 50 LEU HDx% A 105 GLU HA 1.0 . 5.39 1708 1544 A 54 LYS HA A 57 VAL HGx% 1.0 . 4.40 1709 1545 A 31 GLU HA A 57 VAL HGx% 1.0 . 3.08 1710 1546 A 109 ALA H A 105 GLU HA 1.0 . 5.12 1711 1547 A 57 VAL H A 57 VAL HGx% 1.0 . 3.24 1712 1548 A 97 GLN HA A 97 GLN HE2y 1.0 . 3.85 1713 1549 A 97 GLN HA A 97 GLN HE2x 1.0 . 5.35 1714 1550 A 97 GLN HBy A 97 GLN HA 1.0 . 3.01 1715 1551 A 93 THR HG2% A 94 ARG H 1.0 . 4.33 1716 1552 A 93 THR HG2% A 93 THR H 1.0 . 3.20 1717 1553 A 26 TYR HE% A 93 THR HG2% 1.0 . 4.09 1718 1554 A 93 THR HG2% A 90 GLU HA 1.0 . 2.92 1719 1555 A 93 THR HG2% A 94 ARG HGy 1.0 . 5.20 1720 1556 A 92 ALA HB% A 93 THR HG2% 1.0 . 3.88 1721 1557 A 119 VAL H A 118 SER HA 1.0 . 2.93 1722 1558 A 81 GLY HAy A 80 SER HA 1.0 . 4.70 1723 1559 A 57 VAL H A 55 LEU HA 1.0 . 4.80 1724 1560 A 91 LEU H A 88 LEU HA 1.0 . 4.11 1725 1561 A 91 LEU HG A 88 LEU HA 1.0 . 4.36 1726 1562 A 88 LEU HA A 88 LEU HDx% 1.0 . 3.34 1727 1562 A 88 LEU HDy% A 88 LEU HA 1.0 . 3.34 1728 1563 A 87 TYR HD% A 88 LEU HA 1.0 . 5.10 1729 1564 A 99 TRP HBx A 96 ASP HA 1.0 . 3.51 1730 1565 A 95 LYS HGy A 96 ASP HA 1.0 . 4.40 1731 1566 A 32 PHE HD% A 33 LEU HA 1.0 . 4.40 1732 1567 A 36 HIS H A 33 LEU HA 1.0 . 4.36 1733 1568 A 36 HIS HBx A 33 LEU HA 1.0 . 4.40 1734 1569 A 33 LEU HG A 33 LEU HA 1.0 . 3.90 1735 1570 A 85 TRP HE3 A 4 ILE HA 1.0 . 5.04 1736 1571 A 89 TYR HE% A 4 ILE HA 1.0 . 5.01 1737 1572 A 5 PRO HDx A 4 ILE HA 1.0 . 3.45 1738 1573 A 106 LEU HA A 105 GLU HBx 1.0 . 4.85 1739 1574 A 106 LEU HA A 109 ALA HB% 1.0 . 3.24 1740 1575 A 106 LEU HA A 106 LEU HDy% 1.0 . 3.94 1741 1576 A 99 TRP H A 96 ASP HA 1.0 . 4.30 1742 1577 A 100 ALA H A 96 ASP HA 1.0 . 4.49 1743 1578 A 81 GLY H A 80 SER HA 1.0 . 3.05 1744 1579 A 39 SER HBy A 39 SER HA 1.0 . 2.91 1745 1580 A 31 GLU H A 30 ALA HB% 1.0 . 3.64 1746 1581 A 30 ALA H A 30 ALA HB% 1.0 . 3.13 1747 1582 A 17 LEU H A 30 ALA HB% 1.0 . 4.83 1748 1583 A 59 LEU H A 30 ALA HB% 1.0 . 3.86 1749 1584 A 74 PHE HD% A 30 ALA HB% 1.0 . 4.28 1750 1585 A 16 THR HA A 30 ALA HB% 1.0 . 4.60 1751 1586 A 30 ALA HB% A 58 GLY HAx 1.0 . 3.84 1752 1587 A 30 ALA HB% A 58 GLY HAy 1.0 . 4.02 1753 1588 A 15 LYS HBy A 30 ALA HB% 1.0 . 4.13 1754 1589 A 15 LYS HBx A 30 ALA HB% 1.0 . 3.58 1755 1590 A 30 ALA HB% A 59 LEU HG 1.0 . 3.30 1756 1591 A 57 VAL HGx% A 30 ALA HB% 1.0 . 3.84 1757 1592 A 32 PHE H A 30 ALA HB% 1.0 . 5.39 1758 1593 A 30 ALA HB% A 29 PRO HBy 1.0 . 5.44 1759 1594 A 35 VAL HGy% A 35 VAL H 1.0 . 3.35 1760 1595 A 35 VAL HGy% A 36 HIS H 1.0 . 4.38 1761 1596 A 35 VAL HGy% A 99 TRP HZ3 1.0 . 5.18 1762 1597 A 35 VAL HA A 35 VAL HGy% 1.0 . 3.49 1763 1598 A 51 GLN HBy A 35 VAL HGy% 1.0 . 3.58 1764 1599 A 113 ARG HA A 113 ARG HGx 1.0 . 4.23 1765 1600 A 113 ARG HA A 53 GLY H 1.0 . 3.48 1766 1601 A 40 ALA H A 39 SER HA 1.0 . 2.88 1767 1602 A 102 TYR H A 98 LEU HA 1.0 . 4.83 1768 1603 A 98 LEU HA A 32 PHE HE% 1.0 . 5.03 1769 1604 A 98 LEU HA A 101 ASP HBy 1.0 . 3.51 1770 1605 A 98 LEU HA A 97 GLN HGx 1.0 . 5.09 1771 1605 A 97 GLN HGy A 98 LEU HA 1.0 . 5.09 1772 1606 A 98 LEU HA A 98 LEU HG 1.0 . 3.71 1773 1607 A 60 VAL HGy% A 73 SER H 1.0 . 4.35 1774 1608 A 60 VAL HGy% A 73 SER HBy 1.0 . 3.43 1775 1609 A 60 VAL HGy% A 59 LEU HBy 1.0 . 5.45 1776 1610 A 35 VAL HGy% A 34 ARG HGx 1.0 . 2.84 1777 1610 A 35 VAL HGy% A 34 ARG HGy 1.0 . 2.84 1778 1611 A 60 VAL HGy% A 60 VAL H 1.0 . 2.96 1779 1612 A 60 VAL HGy% A 61 GLY H 1.0 . 3.49 1780 1613 A 60 VAL HGy% A 74 PHE HA 1.0 . 3.65 1781 1614 A 60 VAL HGy% A 75 ASP HA 1.0 . 3.13 1782 1615 A 60 VAL HGy% A 60 VAL HA 1.0 . 3.10 1783 1616 A 60 VAL HGy% A 73 SER HBx 1.0 . 3.62 1784 1617 A 60 VAL HGy% A 75 ASP HBx 1.0 . 3.25 1785 1618 A 59 LEU HDx% A 60 VAL HGy% 1.0 . 4.08 1786 1619 A 86 ASP HA A 89 TYR HBx 1.0 . 4.43 1787 1619 A 89 TYR HBy A 86 ASP HA 1.0 . 4.43 1788 1620 A 121 LYS HA A 119 VAL HGx% 1.0 . 5.35 1789 1620 A 119 VAL HGy% A 121 LYS HA 1.0 . 5.35 1790 1621 A 91 LEU HDx% A 91 LEU HA 1.0 . 4.88 1791 1622 A 107 ALA H A 103 LEU HA 1.0 . 4.71 1792 1623 A 100 ALA HA A 103 LEU HA 1.0 . 5.50 1793 1624 A 103 LEU HA A 106 LEU HBx 1.0 . 4.37 1794 1625 A 103 LEU HA A 106 LEU HDy% 1.0 . 4.80 1795 1626 A 103 LEU HA A 106 LEU H 1.0 . 4.13 1796 1627 A 103 LEU HA A 104 ALA HA 1.0 . 4.99 1797 1628 A 103 LEU HA A 106 LEU HBy 1.0 . 3.79 1798 1629 A 103 LEU HA A 103 LEU HG 1.0 . 3.91 1799 1630 A 106 LEU H A 109 ALA HB% 1.0 . 5.50 1800 1631 A 50 LEU HBx A 109 ALA HB% 1.0 . 3.77 1801 1632 A 108 SER H A 109 ALA HB% 1.0 . 4.64 1802 1633 A 109 ALA H A 109 ALA HB% 1.0 . 2.84 1803 1634 A 108 SER HBy A 109 ALA HB% 1.0 . 4.27 1804 1635 A 111 LYS HGy A 109 ALA HB% 1.0 . 3.37 1805 1636 A 50 LEU HDx% A 109 ALA HB% 1.0 . 3.10 1806 1637 A 106 LEU HDx% A 109 ALA HB% 1.0 . 4.19 1807 1638 A 26 TYR H A 25 SER HA 1.0 . 2.94 1808 1639 A 90 GLU HBx A 86 ASP HA 1.0 . 4.69 1809 1640 A 90 GLU H A 86 ASP HA 1.0 . 4.56 1810 1641 A 13 ALA HB% A 14 SER HA 1.0 . 4.91 1811 1642 A 104 ALA H A 101 ASP HA 1.0 . 3.74 1812 1643 A 32 PHE HE% A 91 LEU HA 1.0 . 3.88 1813 1644 A 74 PHE HD% A 34 ARG HA 1.0 . 4.29 1814 1645 A 37 SER HBy A 34 ARG HA 1.0 . 4.47 1815 1646 A 34 ARG HA A 34 ARG HDy 1.0 . 3.62 1816 1647 A 34 ARG HA A 34 ARG HDx 1.0 . 4.00 1817 1648 A 66 GLY HAy A 65 ALA HB% 1.0 . 5.30 1818 1649 A 71 LYS H A 65 ALA HB% 1.0 . 3.85 1819 1650 A 65 ALA H A 65 ALA HB% 1.0 . 3.04 1820 1651 A 65 ALA HB% A 71 LYS HA 1.0 . 4.63 1821 1652 A 65 ALA HB% A 71 LYS HEx 1.0 . 5.12 1822 1652 A 65 ALA HB% A 71 LYS HEy 1.0 . 5.12 1823 1653 A 65 ALA HB% A 71 LYS HBy 1.0 . 3.87 1824 1654 A 71 LYS HBx A 65 ALA HB% 1.0 . 3.24 1825 1655 A 18 THR HG2% A 25 SER HA 1.0 . 5.32 1826 1656 A 91 LEU HDy% A 36 HIS HA 1.0 . 5.50 1827 1657 A 83 PHE HA A 88 LEU HDx% 1.0 . 4.29 1828 1657 A 88 LEU HDy% A 83 PHE HA 1.0 . 4.29 1829 1658 A 28 LEU HDy% A 26 TYR HA 1.0 . 4.58 1830 1659 A 40 ALA HB% A 41 GLU HA 1.0 . 4.01 1831 1660 A 40 ALA H A 40 ALA HB% 1.0 . 3.06 1832 1661 A 40 ALA HB% A 41 GLU H 1.0 . 3.44 1833 1662 A 40 ALA HB% A 39 SER HA 1.0 . 4.09 1834 1663 A 39 SER HBx A 40 ALA HB% 1.0 . 4.82 1835 1664 A 40 ALA HB% A 41 GLU HGy 1.0 . 4.68 1836 1664 A 40 ALA HB% A 41 GLU HGx 1.0 . 4.68 1837 1665 A 74 PHE H A 73 SER HA 1.0 . 3.10 1838 1666 A 73 SER HA A 79 ASP HBx 1.0 . 4.01 1839 1666 A 79 ASP HBy A 73 SER HA 1.0 . 4.01 1840 1667 A 38 PRO HDx A 83 PHE HA 1.0 . 4.38 1841 1668 A 27 ASP H A 26 TYR HA 1.0 . 2.86 1842 1669 A 42 VAL H A 41 GLU HA 1.0 . 2.87 1843 1670 A 41 GLU HA A 41 GLU HBy 1.0 . 3.02 1844 1671 A 41 GLU HA A 42 VAL HGx% 1.0 . 4.53 1845 1671 A 42 VAL HGy% A 41 GLU HA 1.0 . 4.53 1846 1672 A 85 TRP HE1 A 67 GLN HA 1.0 . 5.07 1847 1673 A 16 THR HA A 15 LYS HA 1.0 . 4.50 1848 1674 A 15 LYS HGy A 15 LYS HA 1.0 . 3.64 1849 1675 A 118 SER H A 117 GLU HA 1.0 . 3.07 1850 1676 A 15 LYS H A 15 LYS HA 1.0 . 2.82 1851 1677 A 15 LYS HA A 12 LYS HA 1.0 . 4.05 1852 1678 A 117 GLU HA A 117 GLU HGx 1.0 . 3.22 1853 1678 A 117 GLU HGy A 117 GLU HA 1.0 . 3.22 1854 1679 A 15 LYS HBx A 15 LYS HA 1.0 . 2.91 1855 1680 A 74 PHE HA A 60 VAL HGx% 1.0 . 5.50 1856 1681 A 60 VAL H A 74 PHE HA 1.0 . 3.43 1857 1682 A 75 ASP H A 74 PHE HA 1.0 . 3.14 1858 1683 A 74 PHE HA A 59 LEU HA 1.0 . 3.29 1859 1684 A 74 PHE HA A 57 VAL HGy% 1.0 . 4.46 1860 1685 A 20 ARG HDy A 23 GLU HA 1.0 . 4.66 1861 1686 A 20 ARG HGx A 23 GLU HA 1.0 . 5.31 1862 1687 A 23 GLU HBy A 23 GLU HA 1.0 . 2.74 1863 1688 A 76 ASP H A 74 PHE HA 1.0 . 4.40 1864 1689 A 79 ASP H A 78 HIS HA 1.0 . 3.32 1865 1690 A 34 ARG HA A 37 SER HA 1.0 . 5.50 1866 1691 A 87 TYR HE% A 37 SER HA 1.0 . 4.62 1867 1692 A 38 PRO HDy A 37 SER HA 1.0 . 3.40 1868 1693 A 43 GLN HA A 43 GLN HGx 1.0 . 3.32 1869 1693 A 43 GLN HGy A 43 GLN HA 1.0 . 3.32 1870 1694 A 22 GLY HAx A 23 GLU HA 1.0 . 4.50 1871 1695 A 34 ARG H A 30 ALA HA 1.0 . 4.61 1872 1696 A 33 LEU H A 30 ALA HA 1.0 . 4.41 1873 1697 A 32 PHE H A 30 ALA HA 1.0 . 5.14 1874 1698 A 16 THR HA A 30 ALA HA 1.0 . 4.85 1875 1699 A 44 GLY H A 43 GLN HA 1.0 . 3.07 1876 1700 A 44 GLY HAx A 43 GLN HA 1.0 . 4.81 1877 1701 A 13 ALA H A 13 ALA HB% 1.0 . 4.11 1878 1702 A 14 SER H A 13 ALA HB% 1.0 . 3.85 1879 1703 A 2 MET HA A 3 ARG H 1.0 . 2.65 1880 1704 A 2 MET HA A 2 MET HGy 1.0 . 3.39 1881 1705 A 2 MET HA A 2 MET HBx 1.0 . 3.01 1882 1705 A 2 MET HA A 2 MET HBy 1.0 . 3.01 1883 1706 A 2 MET HA A 3 ARG HBx 1.0 . 4.30 1884 1706 A 2 MET HA A 3 ARG HBy 1.0 . 4.30 1885 1707 A 2 MET HA A 85 TRP HBx 1.0 . 5.04 1886 1708 A 2 MET HA A 2 MET HE% 1.0 . 4.95 1887 1709 A 2 MET HA A 3 ARG HGx 1.0 . 4.51 1888 1709 A 2 MET HA A 3 ARG HGy 1.0 . 4.51 1889 1710 A 105 GLU H A 104 ALA HB% 1.0 . 3.17 1890 1711 A 104 ALA H A 104 ALA HB% 1.0 . 2.80 1891 1712 A 104 ALA HB% A 101 ASP HA 1.0 . 3.17 1892 1713 A 105 GLU HA A 104 ALA HB% 1.0 . 3.93 1893 1714 A 104 ALA HB% A 103 LEU HBx 1.0 . 4.49 1894 1715 A 18 THR H A 8 ILE HG2% 1.0 . 4.92 1895 1716 A 9 GLN H A 8 ILE HG2% 1.0 . 3.56 1896 1717 A 8 ILE H A 8 ILE HG2% 1.0 . 4.03 1897 1718 A 8 ILE HA A 8 ILE HG2% 1.0 . 3.22 1898 1719 A 8 ILE HG1y A 8 ILE HG2% 1.0 . 3.80 1899 1720 A 51 GLN H A 50 LEU HA 1.0 . 2.85 1900 1721 A 51 GLN HGy A 50 LEU HA 1.0 . 5.00 1901 1722 A 100 ALA HA A 103 LEU H 1.0 . 3.89 1902 1723 A 100 ALA HA A 103 LEU HBx 1.0 . 4.38 1903 1724 A 100 ALA HA A 103 LEU HG 1.0 . 4.60 1904 1725 A 99 TRP H A 100 ALA HB% 1.0 . 4.64 1905 1726 A 101 ASP H A 100 ALA HB% 1.0 . 3.21 1906 1727 A 102 TYR H A 100 ALA HB% 1.0 . 4.28 1907 1728 A 100 ALA H A 100 ALA HB% 1.0 . 2.80 1908 1729 A 100 ALA HB% A 101 ASP HA 1.0 . 4.33 1909 1730 A 98 LEU HA A 100 ALA HB% 1.0 . 5.20 1910 1731 A 97 GLN HA A 100 ALA HB% 1.0 . 3.18 1911 1732 A 99 TRP HBx A 100 ALA HB% 1.0 . 4.71 1912 1733 A 106 LEU H A 107 ALA HB% 1.0 . 4.54 1913 1734 A 108 SER H A 107 ALA HB% 1.0 . 3.10 1914 1735 A 107 ALA H A 107 ALA HB% 1.0 . 2.76 1915 1736 A 92 ALA HB% A 92 ALA H 1.0 . 2.99 1916 1737 A 92 ALA HB% A 93 THR H 1.0 . 3.51 1917 1738 A 92 ALA HB% A 89 TYR HE% 1.0 . 3.80 1918 1739 A 92 ALA HB% A 89 TYR HA 1.0 . 3.61 1919 1740 A 26 TYR HBy A 92 ALA HB% 1.0 . 3.68 1920 1741 A 19 LEU HBy A 92 ALA HB% 1.0 . 4.41 1921 1742 A 28 LEU HG A 92 ALA HB% 1.0 . 4.82 1922 1743 A 49 VAL HA A 50 LEU HA 1.0 . 4.60 1923 1744 A 2 MET HE% A 2 MET HGx 1.0 . 3.57 1924 1745 A 2 MET HE% A 2 MET HBx 1.0 . 2.48 1925 1745 A 2 MET HBy A 2 MET HE% 1.0 . 2.48 1926 1746 A 4 ILE HD1% A 2 MET HE% 1.0 . 4.07 1927 1747 A 92 ALA HB% A 88 LEU HA 1.0 . 5.14 1928 1748 A 115 PRO HGx A 116 ASP HA 1.0 . 4.91 1929 1749 A 26 TYR HBy A 92 ALA HA 1.0 . 4.64 1930 1750 A 26 TYR HD% A 92 ALA HA 1.0 . 4.66 1931 1751 A 95 LYS H A 92 ALA HA 1.0 . 4.57 1932 1752 A 93 THR HG2% A 92 ALA HA 1.0 . 5.07 1933 1753 A 117 GLU H A 116 ASP HA 1.0 . 3.11 1934 1754 A 3 ARG HA A 2 MET HBx 1.0 . 4.84 1935 1754 A 3 ARG HA A 2 MET HBy 1.0 . 4.84 1936 1755 A 4 ILE H A 3 ARG HA 1.0 . 2.66 1937 1756 A 3 ARG HA A 3 ARG HGx 1.0 . 3.43 1938 1756 A 3 ARG HGy A 3 ARG HA 1.0 . 3.43 1939 1757 A 89 TYR HD% A 3 ARG HA 1.0 . 5.03 1940 1758 A 3 ARG HA A 4 ILE HA 1.0 . 4.57 1941 1759 A 3 ARG HA A 3 ARG HBx 1.0 . 2.97 1942 1759 A 3 ARG HBy A 3 ARG HA 1.0 . 2.97 1943 1760 A 3 ARG HA A 4 ILE HD1% 1.0 . 5.50 1944 1761 A 106 LEU H A 104 ALA HA 1.0 . 4.72 1945 1762 A 103 LEU HBx A 104 ALA HA 1.0 . 5.12 1946 1763 A 75 ASP HA A 75 ASP HBy 1.0 . 2.95 1947 1764 A 75 ASP HBx A 75 ASP HA 1.0 . 3.01 1948 1765 A 106 LEU HDx% A 107 ALA HA 1.0 . 5.50 1949 1766 A 34 ARG H A 35 VAL HGx% 1.0 . 5.42 1950 1767 A 35 VAL HGx% A 35 VAL H 1.0 . 3.37 1951 1768 A 35 VAL HGx% A 36 HIS H 1.0 . 3.61 1952 1769 A 35 VAL HGx% A 36 HIS HA 1.0 . 5.40 1953 1770 A 35 VAL HGx% A 32 PHE HA 1.0 . 3.57 1954 1771 A 35 VAL HA A 35 VAL HGx% 1.0 . 4.04 1955 1772 A 32 PHE HBx A 35 VAL HGx% 1.0 . 5.02 1956 1773 A 10 LEU H A 9 GLN HA 1.0 . 2.74 1957 1774 A 10 LEU HA A 10 LEU HDy% 1.0 . 4.25 1958 1775 A 20 ARG HA A 20 ARG HGx 1.0 . 3.91 1959 1776 A 25 SER H A 24 ASP HA 1.0 . 2.90 1960 1777 A 60 VAL H A 59 LEU HA 1.0 . 2.81 1961 1778 A 75 ASP HBx A 59 LEU HA 1.0 . 5.37 1962 1779 A 59 LEU HA A 59 LEU HDy% 1.0 . 3.95 1963 1780 A 12 LYS H A 11 HIS HA 1.0 . 3.19 1964 1781 A 72 LEU HA A 72 LEU HG 1.0 . 3.72 1965 1782 A 51 GLN HA A 49 VAL HGx% 1.0 . 5.39 1966 1782 A 49 VAL HGy% A 51 GLN HA 1.0 . 5.39 1967 1783 A 51 GLN HE2y A 51 GLN HA 1.0 . 4.65 1968 1784 A 51 GLN HA A 51 GLN HGy 1.0 . 4.17 1969 1785 A 85 TRP HE1 A 4 ILE HG2% 1.0 . 4.84 1970 1786 A 4 ILE HG2% A 85 TRP HZ3 1.0 . 5.25 1971 1787 A 4 ILE HG2% A 4 ILE HA 1.0 . 3.12 1972 1788 A 4 ILE HG2% A 5 PRO HDx 1.0 . 3.30 1973 1789 A 4 ILE HG2% A 4 ILE HG1y 1.0 . 3.90 1974 1790 A 19 LEU H A 27 ASP HA 1.0 . 4.04 1975 1791 A 28 LEU HDy% A 27 ASP HA 1.0 . 4.17 1976 1792 A 77 GLY H A 76 ASP HA 1.0 . 3.52 1977 1793 A 54 LYS HA A 57 VAL HB 1.0 . 4.12 1978 1794 A 54 LYS HA A 54 LYS HDy 1.0 . 3.61 1979 1795 A 54 LYS HA A 54 LYS HDx 1.0 . 4.12 1980 1796 A 28 LEU H A 27 ASP HA 1.0 . 2.95 1981 1797 A 11 HIS H A 17 LEU HA 1.0 . 3.69 1982 1798 A 65 ALA H A 70 LEU HA 1.0 . 3.58 1983 1799 A 71 LYS H A 70 LEU HA 1.0 . 3.00 1984 1800 A 63 GLU HGy A 63 GLU HA 1.0 . 3.63 1985 1801 A 63 GLU HA A 62 VAL HGx% 1.0 . 4.48 1986 1801 A 62 VAL HGy% A 63 GLU HA 1.0 . 4.48 1987 1802 A 20 ARG H A 19 LEU HA 1.0 . 2.95 1988 1803 A 18 THR H A 17 LEU HA 1.0 . 3.05 1989 1804 A 10 LEU HA A 17 LEU HA 1.0 . 3.48 1990 1805 A 41 GLU H A 40 ALA HA 1.0 . 3.03 1991 1806 A 42 VAL H A 40 ALA HA 1.0 . 5.10 1992 1807 A 85 TRP HZ2 A 8 ILE HD1% 1.0 . 5.27 1993 1808 A 5 PRO HDx A 8 ILE HD1% 1.0 . 4.47 1994 1809 A 17 LEU HG A 17 LEU HA 1.0 . 3.71 1995 1810 A 8 ILE H A 8 ILE HD1% 1.0 . 4.34 1996 1811 A 8 ILE HA A 8 ILE HD1% 1.0 . 4.33 1997 1812 A 85 TRP HZ3 A 8 ILE HD1% 1.0 . 3.94 1998 1813 A 8 ILE HB A 8 ILE HD1% 1.0 . 3.14 1999 1814 A 8 ILE HG2% A 8 ILE HD1% 1.0 . 2.86 2000 1815 A 111 LYS HDy A 111 LYS HA 1.0 . 3.31 2001 1816 A 112 SER H A 111 LYS HA 1.0 . 3.05 2002 1817 A 112 SER HBx A 111 LYS HA 1.0 . 4.72 2003 1818 A 111 LYS HGy A 111 LYS HA 1.0 . 3.93 2004 1819 A 111 LYS HA A 111 LYS HDx 1.0 . 3.82 2005 1820 A 4 ILE HG2% A 8 ILE HD1% 1.0 . 4.80 2006 1821 A 56 ASN HD2y A 56 ASN HA 1.0 . 4.41 2007 1822 A 112 SER HA A 111 LYS HA 1.0 . 4.68 2008 1823 A 8 ILE H A 7 ALA HA 1.0 . 2.70 2009 1824 A 7 ALA HA A 6 SER HA 1.0 . 5.06 2010 1825 A 8 ILE HG1y A 7 ALA HA 1.0 . 4.64 2011 1826 A 56 ASN HD2x A 114 ASP HA 1.0 . 4.96 2012 1827 A 50 LEU HDx% A 109 ALA HA 1.0 . 5.11 2013 1828 A 108 SER HBy A 109 ALA HA 1.0 . 4.55 2014 1829 A 55 LEU H A 114 ASP HA 1.0 . 4.26 2015 1830 A 55 LEU HBy A 114 ASP HA 1.0 . 3.66 2016 1831 A 115 PRO HDy A 114 ASP HA 1.0 . 3.22 2017 1832 A 115 PRO HDx A 114 ASP HA 1.0 . 3.32 2018 1833 A 55 LEU HBx A 114 ASP HA 1.0 . 3.80 2019 1834 A 85 TRP HE3 A 5 PRO HDy 1.0 . 4.58 2020 1835 A 85 TRP HZ3 A 5 PRO HDy 1.0 . 5.01 2021 1836 A 89 TYR HE% A 5 PRO HDy 1.0 . 4.62 2022 1837 A 4 ILE HG2% A 5 PRO HDy 1.0 . 4.27 2023 1838 A 29 PRO HDy A 28 LEU HA 1.0 . 3.28 2024 1839 A 47 ASN HA A 48 PRO HDy 1.0 . 2.75 2025 1840 A 95 LYS HEy A 28 LEU HA 1.0 . 3.49 2026 1841 A 29 PRO HDx A 32 PHE HD% 1.0 . 4.84 2027 1842 A 29 PRO HDx A 28 LEU HA 1.0 . 3.48 2028 1843 A 29 PRO HDx A 32 PHE H 1.0 . 5.20 2029 1844 A 115 PRO HDy A 116 ASP H 1.0 . 4.09 2030 1845 A 115 PRO HDy A 55 LEU HBy 1.0 . 5.50 2031 1846 A 114 ASP HBx A 115 PRO HDy 1.0 . 4.79 2032 1847 A 55 LEU H A 115 PRO HDx 1.0 . 4.45 2033 1848 A 116 ASP H A 115 PRO HDx 1.0 . 4.52 2034 1849 A 55 LEU HBy A 115 PRO HDx 1.0 . 4.99 2035 1850 A 55 LEU HBx A 115 PRO HDx 1.0 . 4.43 2036 1851 A 55 LEU HDx% A 115 PRO HDx 1.0 . 4.96 2037 1852 A 70 LEU H A 69 ALA HA 1.0 . 3.14 2038 1853 A 85 TRP H A 69 ALA HA 1.0 . 3.77 2039 1854 A 84 THR HA A 69 ALA HA 1.0 . 2.87 2040 1855 A 63 GLU HA A 64 PRO HDx 1.0 . 2.71 2041 1855 A 64 PRO HDy A 63 GLU HA 1.0 . 2.71 2042 1856 A 47 ASN HBy A 48 PRO HDy 1.0 . 4.08 2043 1857 A 47 ASN HBx A 48 PRO HDy 1.0 . 4.70 2044 1858 A 48 PRO HDx A 47 ASN HA 1.0 . 2.94 2045 1859 A 48 PRO HDx A 47 ASN HBy 1.0 . 3.70 2046 1860 A 48 PRO HDx A 49 VAL HGx% 1.0 . 5.45 2047 1860 A 49 VAL HGy% A 48 PRO HDx 1.0 . 5.45 2048 1861 A 66 GLY H A 65 ALA HA 1.0 . 2.75 2049 1862 A 66 GLY HAy A 65 ALA HA 1.0 . 4.60 2050 1863 A 38 PRO HDx A 37 SER HA 1.0 . 3.57 2051 1864 A 85 TRP HE1 A 4 ILE HD1% 1.0 . 4.16 2052 1865 A 4 ILE H A 4 ILE HD1% 1.0 . 4.19 2053 1866 A 85 TRP HD1 A 4 ILE HD1% 1.0 . 4.20 2054 1867 A 4 ILE HD1% A 4 ILE HA 1.0 . 3.82 2055 1868 A 85 TRP HBx A 4 ILE HD1% 1.0 . 5.12 2056 1869 A 4 ILE HD1% A 2 MET HGx 1.0 . 4.85 2057 1870 A 4 ILE HD1% A 2 MET HBx 1.0 . 3.88 2058 1870 A 2 MET HBy A 4 ILE HD1% 1.0 . 3.88 2059 1871 A 4 ILE HB A 4 ILE HD1% 1.0 . 3.33 2060 1872 A 4 ILE HG2% A 4 ILE HD1% 1.0 . 2.85 2061 1873 A 38 PRO HDy A 83 PHE HEx 1.0 . 5.35 2062 1874 A 38 PRO HDx A 87 TYR HE% 1.0 . 4.61 2063 1875 A 78 HIS HE1 A 39 SER HA 1.0 . 5.20 2064 1876 A 11 HIS HBy A 11 HIS HE1 1.0 . 5.28 2065 1877 A 11 HIS HE1 A 9 GLN HGx 1.0 . 4.80 2066 1877 A 9 GLN HGy A 11 HIS HE1 1.0 . 4.80 2067 1878 A 9 GLN HBx A 11 HIS HE1 1.0 . 4.46 2068 1879 A 26 TYR HD% A 26 TYR H 1.0 . 3.27 2069 1880 A 26 TYR HD% A 27 ASP H 1.0 . 4.38 2070 1881 A 26 TYR HD% A 25 SER HA 1.0 . 3.95 2071 1882 A 26 TYR HD% A 26 TYR HA 1.0 . 3.38 2072 1883 A 26 TYR HD% A 93 THR HA 1.0 . 4.37 2073 1884 A 26 TYR HD% A 19 LEU HBy 1.0 . 4.61 2074 1885 A 26 TYR HD% A 92 ALA HB% 1.0 . 3.29 2075 1886 A 26 TYR HD% A 28 LEU HDx% 1.0 . 5.28 2076 1887 A 26 TYR HD% A 93 THR HG2% 1.0 . 4.70 2077 1888 A 52 TYR HD% A 53 GLY H 1.0 . 3.57 2078 1889 A 52 TYR HD% A 52 TYR H 1.0 . 3.42 2079 1890 A 52 TYR HD% A 112 SER H 1.0 . 4.11 2080 1891 A 52 TYR HD% A 51 GLN HA 1.0 . 3.78 2081 1892 A 52 TYR HD% A 111 LYS HBx 1.0 . 3.84 2082 1893 A 52 TYR HD% A 50 LEU HDx% 1.0 . 3.58 2083 1894 A 52 TYR HD% A 106 LEU HDx% 1.0 . 3.67 2084 1895 A 102 TYR HD% A 98 LEU HBy 1.0 . 4.60 2085 1896 A 102 TYR HD% A 98 LEU HBx 1.0 . 5.01 2086 1897 A 102 TYR HD% A 99 TRP HE3 1.0 . 3.86 2087 1898 A 102 TYR HD% A 35 VAL HGx% 1.0 . 3.80 2088 1899 A 26 TYR HD% A 18 THR HG2% 1.0 . 5.19 2089 1900 A 52 TYR HD% A 53 GLY HAy 1.0 . 4.97 2090 1901 A 52 TYR HD% A 52 TYR HA 1.0 . 3.91 2091 1902 A 52 TYR HD% A 50 LEU HG 1.0 . 3.61 2092 1903 A 102 TYR HD% A 99 TRP HA 1.0 . 4.34 2093 1904 A 89 TYR HD% A 4 ILE HA 1.0 . 5.13 2094 1905 A 89 TYR HD% A 3 ARG HBx 1.0 . 3.81 2095 1905 A 89 TYR HD% A 3 ARG HBy 1.0 . 3.81 2096 1906 A 67 GLN H A 68 TYR HD% 1.0 . 4.51 2097 1907 A 66 GLY HAx A 68 TYR HD% 1.0 . 4.85 2098 1908 A 68 TYR HD% A 67 GLN HBy 1.0 . 4.65 2099 1909 A 67 GLN HBx A 68 TYR HD% 1.0 . 4.16 2100 1910 A 84 THR HG2% A 68 TYR HD% 1.0 . 3.94 2101 1911 A 68 TYR HD% A 69 ALA HB% 1.0 . 3.57 2102 1912 A 4 ILE H A 89 TYR HD% 1.0 . 5.11 2103 1913 A 89 TYR HD% A 21 TYR HA 1.0 . 3.39 2104 1914 A 89 TYR HD% A 19 LEU HDx% 1.0 . 4.10 2105 1915 A 89 TYR HD% A 92 ALA HB% 1.0 . 4.19 2106 1916 A 68 TYR H A 68 TYR HD% 1.0 . 3.26 2107 1917 A 68 TYR HD% A 67 GLN HA 1.0 . 5.16 2108 1918 A 72 LEU H A 83 PHE HD% 1.0 . 4.91 2109 1919 A 87 TYR HD% A 88 LEU HDx% 1.0 . 4.79 2110 1919 A 88 LEU HDy% A 87 TYR HD% 1.0 . 4.79 2111 1920 A 87 TYR HD% A 87 TYR HA 1.0 . 2.73 2112 1921 A 87 TYR HD% A 83 PHE HBx 1.0 . 4.86 2113 1922 A 87 TYR HD% A 90 GLU HBy 1.0 . 3.92 2114 1923 A 87 TYR HD% A 91 LEU HG 1.0 . 3.88 2115 1924 A 87 TYR HD% A 91 LEU HDy% 1.0 . 4.31 2116 1925 A 93 THR HG2% A 21 TYR HD% 1.0 . 3.83 2117 1926 A 89 TYR HD% A 21 TYR HD% 1.0 . 4.47 2118 1927 A 21 TYR HD% A 21 TYR HA 1.0 . 3.45 2119 1928 A 21 TYR HD% A 89 TYR HA 1.0 . 3.07 2120 1929 A 21 TYR HD% A 89 TYR HBx 1.0 . 3.06 2121 1929 A 21 TYR HD% A 89 TYR HBy 1.0 . 3.06 2122 1930 A 21 TYR HD% A 3 ARG HDy 1.0 . 4.66 2123 1931 A 21 TYR HD% A 3 ARG HDx 1.0 . 4.11 2124 1932 A 92 ALA HB% A 21 TYR HD% 1.0 . 3.95 2125 1933 A 83 PHE HD% A 87 TYR HE% 1.0 . 4.48 2126 1934 A 83 PHE HD% A 83 PHE HA 1.0 . 4.05 2127 1935 A 83 PHE HD% A 80 SER HBx 1.0 . 4.41 2128 1936 A 88 LEU HG A 83 PHE HD% 1.0 . 4.51 2129 1937 A 72 LEU HBy A 83 PHE HD% 1.0 . 4.77 2130 1938 A 83 PHE HD% A 88 LEU HDx% 1.0 . 3.42 2131 1938 A 88 LEU HDy% A 83 PHE HD% 1.0 . 3.42 2132 1939 A 72 LEU HDx% A 83 PHE HD% 1.0 . 4.13 2133 1940 A 83 PHE HEx A 83 PHE HBy 1.0 . 4.55 2134 1941 A 83 PHE HEx A 37 SER HA 1.0 . 4.14 2135 1942 A 83 PHE HEx A 80 SER HBx 1.0 . 4.09 2136 1943 A 83 PHE HEx A 72 LEU HBx 1.0 . 4.10 2137 1944 A 83 PHE HEx A 80 SER HA 1.0 . 5.01 2138 1945 A 37 SER HBy A 83 PHE HEx 1.0 . 4.25 2139 1946 A 38 PRO HDx A 83 PHE HEx 1.0 . 4.60 2140 1947 A 98 LEU H A 32 PHE HE% 1.0 . 4.62 2141 1948 A 32 PHE HE% A 99 TRP HE3 1.0 . 4.27 2142 1949 A 28 LEU HDx% A 32 PHE HE% 1.0 . 3.64 2143 1950 A 99 TRP H A 32 PHE HE% 1.0 . 4.29 2144 1951 A 99 TRP HA A 32 PHE HE% 1.0 . 4.54 2145 1952 A 98 LEU HBy A 32 PHE HE% 1.0 . 3.54 2146 1953 A 98 LEU HBx A 32 PHE HE% 1.0 . 4.07 2147 1954 A 91 LEU HBx A 32 PHE HE% 1.0 . 3.40 2148 1955 A 91 LEU HDx% A 32 PHE HE% 1.0 . 4.25 2149 1956 A 74 PHE HD% A 73 SER H 1.0 . 5.09 2150 1957 A 74 PHE HD% A 30 ALA HA 1.0 . 4.78 2151 1958 A 74 PHE HD% A 72 LEU HBy 1.0 . 4.48 2152 1959 A 74 PHE HD% A 72 LEU HDy% 1.0 . 3.92 2153 1960 A 74 PHE HD% A 72 LEU HDx% 1.0 . 5.06 2154 1961 A 99 TRP H A 32 PHE HD% 1.0 . 4.94 2155 1962 A 34 ARG H A 32 PHE HD% 1.0 . 5.50 2156 1963 A 33 LEU H A 32 PHE HD% 1.0 . 4.13 2157 1964 A 32 PHE H A 32 PHE HD% 1.0 . 4.18 2158 1965 A 99 TRP HA A 32 PHE HD% 1.0 . 3.95 2159 1966 A 32 PHE HA A 32 PHE HD% 1.0 . 3.50 2160 1967 A 33 LEU HG A 32 PHE HD% 1.0 . 3.45 2161 1968 A 28 LEU HBy A 32 PHE HD% 1.0 . 4.85 2162 1969 A 28 LEU HBx A 32 PHE HD% 1.0 . 3.51 2163 1970 A 95 LYS HGx A 32 PHE HD% 1.0 . 3.80 2164 1971 A 98 LEU HBy A 32 PHE HD% 1.0 . 4.15 2165 1972 A 33 LEU HBx A 83 PHE HZ 1.0 . 4.52 2166 1973 A 37 SER HBy A 83 PHE HZ 1.0 . 4.08 2167 1974 A 37 SER HBx A 83 PHE HZ 1.0 . 4.35 2168 1975 A 83 PHE HZ A 72 LEU HBy 1.0 . 5.21 2169 1976 A 83 PHE HZ A 33 LEU HDy% 1.0 . 5.21 2170 1977 A 83 PHE HZ A 87 TYR HE% 1.0 . 4.70 2171 1978 A 83 PHE HZ A 37 SER HA 1.0 . 3.54 2172 1979 A 38 PRO HDy A 83 PHE HZ 1.0 . 4.53 2173 1980 A 38 PRO HDx A 83 PHE HZ 1.0 . 4.70 2174 1981 A 72 LEU HDx% A 83 PHE HZ 1.0 . 4.65 2175 1982 A 74 PHE HE% A 33 LEU HA 1.0 . 5.12 2176 1983 A 74 PHE HE% A 34 ARG HA 1.0 . 3.89 2177 1984 A 33 LEU HBy A 74 PHE HE% 1.0 . 3.70 2178 1985 A 74 PHE HE% A 72 LEU HBy 1.0 . 4.52 2179 1986 A 74 PHE HE% A 33 LEU HBx 1.0 . 3.69 2180 1987 A 72 LEU HDy% A 74 PHE HE% 1.0 . 3.62 2181 1988 A 72 LEU HDx% A 74 PHE HE% 1.0 . 3.80 2182 1989 A 85 TRP HBy A 85 TRP HD1 1.0 . 3.87 2183 1990 A 85 TRP HBx A 85 TRP HD1 1.0 . 3.38 2184 1991 A 85 TRP HD1 A 4 ILE HG1y 1.0 . 4.54 2185 1992 A 99 TRP HD1 A 100 ALA H 1.0 . 4.40 2186 1993 A 99 TRP HD1 A 96 ASP HA 1.0 . 4.51 2187 1994 A 100 ALA HA A 99 TRP HD1 1.0 . 4.50 2188 1995 A 99 TRP HBx A 99 TRP HD1 1.0 . 3.04 2189 1996 A 99 TRP HD1 A 100 ALA HB% 1.0 . 5.02 2190 1997 A 99 TRP HD1 A 103 LEU HDx% 1.0 . 3.28 2191 1998 A 68 TYR HA A 85 TRP HD1 1.0 . 3.06 2192 1999 A 68 TYR HBx A 85 TRP HD1 1.0 . 5.17 2193 2000 A 85 TRP HD1 A 2 MET HGx 1.0 . 5.05 2194 2001 A 85 TRP HD1 A 2 MET HBx 1.0 . 4.32 2195 2001 A 85 TRP HD1 A 2 MET HBy 1.0 . 4.32 2196 2002 A 4 ILE HG1x A 85 TRP HD1 1.0 . 3.85 2197 2003 A 69 ALA H A 85 TRP HD1 1.0 . 5.05 2198 2004 A 91 LEU HDy% A 36 HIS HD2 1.0 . 3.77 2199 2005 A 36 HIS HBy A 36 HIS HD2 1.0 . 3.74 2200 2006 A 98 LEU HBy A 36 HIS HD2 1.0 . 5.12 2201 2007 A 98 LEU HBx A 36 HIS HD2 1.0 . 5.02 2202 2008 A 98 LEU HDy% A 36 HIS HD2 1.0 . 3.96 2203 2009 A 98 LEU HDx% A 36 HIS HD2 1.0 . 4.36 2204 2010 A 70 LEU HA A 85 TRP HH2 1.0 . 4.74 2205 2011 A 85 TRP HH2 A 8 ILE HD1% 1.0 . 3.29 2206 2012 A 85 TRP HH2 A 70 LEU HDy% 1.0 . 2.97 2207 2012 A 85 TRP HH2 A 70 LEU HDx% 1.0 . 2.97 2208 2013 A 4 ILE HG2% A 85 TRP HH2 1.0 . 4.41 2209 2014 A 5 PRO HGx A 85 TRP HH2 1.0 . 5.02 2210 2015 A 4 ILE HA A 85 TRP HH2 1.0 . 5.40 2211 2016 A 31 GLU HBx A 99 TRP HH2 1.0 . 5.07 2212 2017 A 35 VAL HGx% A 99 TRP HH2 1.0 . 4.49 2213 2018 A 113 ARG HE A 99 TRP HH2 1.0 . 3.97 2214 2019 A 113 ARG HDy A 99 TRP HH2 1.0 . 4.48 2215 2020 A 103 LEU HDx% A 99 TRP HH2 1.0 . 5.07 2216 2021 A 31 GLU HGy A 99 TRP HH2 1.0 . 4.19 2217 2022 A 31 GLU HGx A 99 TRP HH2 1.0 . 3.80 2218 2023 A 103 LEU HDy% A 99 TRP HH2 1.0 . 5.05 2219 2024 A 32 PHE HBx A 99 TRP HZ3 1.0 . 4.73 2220 2025 A 32 PHE HA A 99 TRP HZ3 1.0 . 3.49 2221 2026 A 31 GLU HGx A 99 TRP HZ3 1.0 . 4.15 2222 2027 A 35 VAL HGx% A 99 TRP HZ3 1.0 . 3.38 2223 2028 A 4 ILE HG2% A 85 TRP HE3 1.0 . 5.02 2224 2029 A 88 LEU HBy A 85 TRP HE3 1.0 . 5.11 2225 2030 A 85 TRP HBy A 85 TRP HE3 1.0 . 3.80 2226 2031 A 85 TRP HE3 A 5 PRO HDx 1.0 . 4.55 2227 2032 A 85 TRP HE3 A 70 LEU HBy 1.0 . 5.29 2228 2033 A 85 TRP HE3 A 88 LEU HDx% 1.0 . 3.57 2229 2033 A 88 LEU HDy% A 85 TRP HE3 1.0 . 3.57 2230 2034 A 85 TRP HE3 A 70 LEU HDy% 1.0 . 4.21 2231 2034 A 85 TRP HE3 A 70 LEU HDx% 1.0 . 4.21 2232 2035 A 85 TRP HZ3 A 4 ILE HA 1.0 . 4.22 2233 2036 A 5 PRO HDx A 85 TRP HZ3 1.0 . 4.32 2234 2037 A 85 TRP HZ3 A 70 LEU HBy 1.0 . 4.80 2235 2038 A 85 TRP HZ3 A 88 LEU HDx% 1.0 . 3.55 2236 2038 A 88 LEU HDy% A 85 TRP HZ3 1.0 . 3.55 2237 2039 A 85 TRP HZ3 A 70 LEU HDy% 1.0 . 3.58 2238 2039 A 85 TRP HZ3 A 70 LEU HDx% 1.0 . 3.58 2239 2040 A 18 THR H A 11 HIS HD2 1.0 . 4.18 2240 2041 A 11 HIS H A 11 HIS HD2 1.0 . 3.68 2241 2042 A 16 THR H A 11 HIS HD2 1.0 . 5.00 2242 2043 A 18 THR HA A 11 HIS HD2 1.0 . 5.14 2243 2044 A 10 LEU HA A 11 HIS HD2 1.0 . 5.17 2244 2045 A 18 THR HB A 11 HIS HD2 1.0 . 4.12 2245 2046 A 16 THR HB A 11 HIS HD2 1.0 . 3.80 2246 2047 A 11 HIS HBy A 11 HIS HD2 1.0 . 3.60 2247 2048 A 16 THR HG2% A 11 HIS HD2 1.0 . 4.08 2248 2049 A 11 HIS HA A 11 HIS HD2 1.0 . 4.33 2249 2050 A 9 GLN HBx A 11 HIS HD2 1.0 . 5.08 2250 2051 A 102 TYR H A 99 TRP HE3 1.0 . 5.13 2251 2052 A 99 TRP HA A 99 TRP HE3 1.0 . 3.13 2252 2053 A 32 PHE HA A 99 TRP HE3 1.0 . 4.05 2253 2054 A 32 PHE HD% A 99 TRP HE3 1.0 . 3.03 2254 2055 A 102 TYR HBy A 99 TRP HE3 1.0 . 5.20 2255 2056 A 102 TYR HBx A 99 TRP HE3 1.0 . 4.22 2256 2057 A 35 VAL HGx% A 99 TRP HE3 1.0 . 4.62 2257 2058 A 99 TRP H A 99 TRP HE3 1.0 . 4.70 2258 2059 A 45 HIS HBx A 45 HIS HD2 1.0 . 3.79 2259 2060 A 45 HIS HD2 A 42 VAL HGx% 1.0 . 4.28 2260 2060 A 42 VAL HGy% A 45 HIS HD2 1.0 . 4.28 2261 2061 A 44 GLY HAx A 45 HIS HD2 1.0 . 4.83 2262 2062 A 45 HIS HA A 45 HIS HD2 1.0 . 4.27 2263 2063 A 53 GLY H A 52 TYR HE% 1.0 . 4.98 2264 2064 A 52 TYR H A 52 TYR HE% 1.0 . 4.27 2265 2065 A 111 LYS HGx A 52 TYR HE% 1.0 . 4.14 2266 2066 A 52 TYR HE% A 111 LYS HDx 1.0 . 3.96 2267 2067 A 68 TYR H A 68 TYR HE% 1.0 . 4.46 2268 2068 A 68 TYR HE% A 66 GLY HAx 1.0 . 4.72 2269 2069 A 68 TYR HE% A 67 GLN HBx 1.0 . 3.98 2270 2070 A 68 TYR HE% A 69 ALA HB% 1.0 . 4.02 2271 2071 A 87 TYR HE% A 38 PRO HA 1.0 . 5.27 2272 2072 A 21 TYR HE% A 90 GLU HA 1.0 . 5.26 2273 2073 A 21 TYR HE% A 3 ARG HDx 1.0 . 4.22 2274 2074 A 38 PRO HDy A 87 TYR HE% 1.0 . 3.26 2275 2075 A 38 PRO HBy A 87 TYR HE% 1.0 . 4.46 2276 2076 A 87 TYR HE% A 38 PRO HGy 1.0 . 4.60 2277 2077 A 91 LEU HG A 87 TYR HE% 1.0 . 3.52 2278 2078 A 91 LEU HDx% A 87 TYR HE% 1.0 . 3.21 2279 2079 A 91 LEU HDy% A 87 TYR HE% 1.0 . 3.45 2280 2080 A 89 TYR HD% A 21 TYR HE% 1.0 . 4.44 2281 2081 A 21 TYR HE% A 89 TYR HBx 1.0 . 3.70 2282 2081 A 21 TYR HE% A 89 TYR HBy 1.0 . 3.70 2283 2082 A 21 TYR HE% A 3 ARG HDy 1.0 . 4.18 2284 2083 A 21 TYR HE% A 3 ARG HGx 1.0 . 4.17 2285 2083 A 3 ARG HGy A 21 TYR HE% 1.0 . 4.17 2286 2084 A 93 THR HG2% A 21 TYR HE% 1.0 . 3.21 2287 2085 A 21 TYR H A 26 TYR HE% 1.0 . 4.47 2288 2086 A 89 TYR HE% A 89 TYR HA 1.0 . 4.84 2289 2087 A 4 ILE H A 89 TYR HE% 1.0 . 4.54 2290 2088 A 19 LEU HBy A 89 TYR HE% 1.0 . 3.66 2291 2089 A 4 ILE HG2% A 89 TYR HE% 1.0 . 4.84 2292 2090 A 19 LEU H A 89 TYR HE% 1.0 . 5.28 2293 2091 A 89 TYR HE% A 21 TYR HA 1.0 . 2.90 2294 2092 A 5 PRO HA A 89 TYR HE% 1.0 . 3.96 2295 2093 A 89 TYR HE% A 5 PRO HDx 1.0 . 4.79 2296 2094 A 19 LEU HBx A 89 TYR HE% 1.0 . 3.56 2297 2095 A 24 ASP H A 26 TYR HE% 1.0 . 5.17 2298 2096 A 25 SER H A 26 TYR HE% 1.0 . 5.10 2299 2097 A 26 TYR HE% A 21 TYR HD% 1.0 . 3.93 2300 2098 A 26 TYR HE% A 25 SER HA 1.0 . 5.29 2301 2099 A 26 TYR HE% A 93 THR HA 1.0 . 3.54 2302 2100 A 21 TYR HBy A 26 TYR HE% 1.0 . 3.68 2303 2101 A 26 TYR HE% A 24 ASP HBy 1.0 . 3.52 2304 2102 A 26 TYR HE% A 24 ASP HBx 1.0 . 3.54 2305 2103 A 26 TYR HE% A 92 ALA HB% 1.0 . 3.95 2306 2104 A 113 ARG HE A 99 TRP HZ2 1.0 . 4.46 2307 2105 A 113 ARG HDy A 99 TRP HZ2 1.0 . 4.02 2308 2106 A 31 GLU HGx A 99 TRP HZ2 1.0 . 4.65 2309 2107 A 103 LEU HDx% A 99 TRP HZ2 1.0 . 4.12 2310 2108 A 103 LEU HDy% A 99 TRP HZ2 1.0 . 3.53 2311 2109 A 31 GLU HGy A 99 TRP HZ2 1.0 . 5.25 2312 2110 A 103 LEU HG A 99 TRP HZ2 1.0 . 5.50 2313 2111 A 70 LEU HA A 85 TRP HZ2 1.0 . 4.72 2314 2112 A 85 TRP HZ2 A 70 LEU HDy% 1.0 . 3.71 2315 2112 A 85 TRP HZ2 A 70 LEU HDx% 1.0 . 3.71 2316 2113 A 4 ILE HG2% A 85 TRP HZ2 1.0 . 4.41 stop_ save_