data_nef_c25294_2mw1 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MW1 stop_ 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 CYS middle . . 3 A 3 GLU middle . . 4 A 4 LEU middle . . 5 A 5 SER middle . . 6 A 6 ASP middle . . 7 A 7 PRO middle . false 8 A 8 ASP middle . . 9 A 9 GLY middle . false 10 A 10 LEU middle . . 11 A 11 ALA middle . . 12 A 12 ASP middle . . 13 A 13 PRO middle . false 14 A 14 MET middle . . 15 A 15 LYS middle . . 16 A 16 TRP middle . . 17 A 17 SER middle . . 18 A 18 LYS middle . . 19 A 19 VAL middle . . 20 A 20 PRO middle . false 21 A 21 SER middle . . 22 A 22 GLY middle . false 23 A 23 LEU middle . . 24 A 24 LYS middle . . 25 A 25 ASN middle . . 26 A 26 GLY middle . false 27 A 27 GLU middle . . 28 A 28 LEU middle . . 29 A 29 LYS middle . . 30 A 30 VAL middle . . 31 A 31 GLU middle . . 32 A 32 ALA middle . . 33 A 33 GLU middle . . 34 A 34 GLY middle . false 35 A 35 GLY middle . false 36 A 36 SER middle . . 37 A 37 SER middle . . 38 A 38 LEU middle . . 39 A 39 PHE middle . . 40 A 40 ALA middle . . 41 A 41 CYS middle . . 42 A 42 LYS middle . . 43 A 43 ASN middle . . 44 A 44 TYR middle . . 45 A 45 LYS middle . . 46 A 46 SER middle . . 47 A 47 PHE middle . . 48 A 48 TRP middle . . 49 A 49 ILE middle . . 50 A 50 SER middle . . 51 A 51 SER middle . . 52 A 52 VAL middle . . 53 A 53 LYS middle . . 54 A 54 GLU middle . . 55 A 55 GLU middle . . 56 A 56 GLY middle . false 57 A 57 LYS middle . . 58 A 58 PHE middle . . 59 A 59 LYS middle . . 60 A 60 GLU middle . . 61 A 61 ASN middle . . 62 A 62 THR middle . . 63 A 63 SER middle . . 64 A 64 TYR middle . . 65 A 65 LYS middle . . 66 A 66 GLU middle . . 67 A 67 PHE middle . . 68 A 68 ASP middle . . 69 A 69 GLY middle . false 70 A 70 GLY middle . false 71 A 71 TRP middle . . 72 A 72 TYR middle . . 73 A 73 LEU middle . . 74 A 74 VAL middle . . 75 A 75 LYS middle . . 76 A 76 ILE middle . . 77 A 77 GLU middle . . 78 A 78 ASP middle . . 79 A 79 ASN middle . . 80 A 80 GLU middle . . 81 A 81 LEU middle . . 82 A 82 LYS middle . . 83 A 83 VAL middle . . 84 A 84 ILE middle . . 85 A 85 ILE middle . . 86 A 86 ASN middle . . 87 A 87 ARG middle . . 88 A 88 ASN middle . . 89 A 89 GLU middle . . 90 A 90 THR middle . . 91 A 91 ASN middle . . 92 A 92 ALA middle . . 93 A 93 SER middle . . 94 A 94 ARG middle . . 95 A 95 SER middle . . 96 A 96 PHE middle . . 97 A 97 THR middle . . 98 A 98 VAL middle . . 99 A 99 CYS middle . . 100 A 100 VAL middle . . 101 A 101 GLU middle . . 102 A 102 ALA middle . . 103 A 103 GLY middle . false 104 A 104 ASN middle . . 105 A 105 ALA middle . . 106 A 106 PHE middle . . 107 A 107 ASP middle . . 108 A 108 GLU middle . . 109 A 109 PHE middle . . 110 A 110 LYS middle . . 111 A 111 PHE middle . . 112 A 112 VAL middle . . 113 A 113 GLN middle . . 114 A 114 ASP middle . . 115 A 115 ALA middle . . 116 A 116 ALA middle . . 117 A 117 LYS middle . . 118 A 118 GLN 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 5 SER H H 1 8.148 0.025 A 5 SER HA H 1 4.349 0.025 A 5 SER HBx H 1 3.749 0.025 A 5 SER HBy H 1 3.749 0.025 A 5 SER CA C 13 55.478 0.148 A 5 SER CB C 13 61.191 0.148 A 5 SER N N 15 116.267 0.125 A 6 ASP H H 1 8.246 0.025 A 6 ASP HA H 1 4.827 0.025 A 6 ASP HBx H 1 2.475 0.025 A 6 ASP HBy H 1 2.660 0.025 A 6 ASP CA C 13 49.671 0.148 A 6 ASP CB C 13 38.656 0.148 A 6 ASP N N 15 123.039 0.125 A 7 PRO HA H 1 4.317 0.025 A 7 PRO HBx H 1 1.902 0.025 A 7 PRO HBy H 1 2.215 0.025 A 7 PRO HDx H 1 3.728 0.025 A 7 PRO HDy H 1 3.728 0.025 A 7 PRO HGx H 1 1.940 0.025 A 7 PRO HGy H 1 1.940 0.025 A 7 PRO CA C 13 61.147 0.148 A 7 PRO CB C 13 29.478 0.148 A 7 PRO CD C 13 48.017 0.148 A 7 PRO CG C 13 24.716 0.148 A 8 ASP H H 1 8.314 0.025 A 8 ASP HA H 1 4.565 0.025 A 8 ASP HBy H 1 2.665 0.025 A 8 ASP HBx H 1 2.570 0.025 A 8 ASP CA C 13 51.860 0.148 A 8 ASP CB C 13 38.725 0.148 A 8 ASP N N 15 119.159 0.125 A 9 GLY H H 1 8.043 0.025 A 9 GLY HAy H 1 3.912 0.025 A 9 GLY CA C 13 43.136 0.148 A 9 GLY N N 15 108.837 0.125 A 10 LEU H H 1 8.047 0.025 A 10 LEU HA H 1 4.267 0.025 A 10 LEU HBy H 1 1.578 0.025 A 10 LEU HBx H 1 1.510 0.025 A 10 LEU HDx% H 1 0.848 0.025 A 10 LEU HDy% H 1 0.789 0.025 A 10 LEU HG H 1 1.534 0.025 A 10 LEU CA C 13 52.391 0.148 A 10 LEU CB C 13 39.863 0.148 A 10 LEU CDy C 13 22.403 0.148 A 10 LEU CDx C 13 20.888 0.148 A 10 LEU CG C 13 24.385 0.148 A 10 LEU N N 15 121.571 0.125 A 11 ALA H H 1 8.330 0.025 A 11 ALA HA H 1 4.336 0.025 A 11 ALA HB% H 1 1.265 0.025 A 11 ALA CA C 13 48.984 0.148 A 11 ALA CB C 13 17.182 0.148 A 11 ALA N N 15 125.169 0.125 A 12 ASP H H 1 8.187 0.025 A 12 ASP HA H 1 4.736 0.025 A 12 ASP HBx H 1 2.402 0.025 A 12 ASP HBy H 1 2.506 0.025 A 12 ASP CA C 13 49.702 0.148 A 12 ASP CB C 13 37.831 0.148 A 12 ASP N N 15 122.672 0.125 A 13 PRO HA H 1 4.304 0.025 A 13 PRO HBx H 1 1.654 0.025 A 13 PRO HBy H 1 2.255 0.025 A 13 PRO HDy H 1 3.857 0.025 A 13 PRO HDx H 1 3.619 0.025 A 13 PRO HGy H 1 1.944 0.025 A 13 PRO HGx H 1 1.883 0.025 A 13 PRO CA C 13 59.600 0.148 A 13 PRO CB C 13 29.516 0.148 A 13 PRO CD C 13 47.977 0.148 A 13 PRO CG C 13 24.801 0.148 A 14 MET H H 1 8.720 0.025 A 14 MET HA H 1 3.780 0.025 A 14 MET HBx H 1 1.714 0.025 A 14 MET HBy H 1 1.782 0.025 A 14 MET HE% H 1 1.129 0.025 A 14 MET HGy H 1 2.172 0.025 A 14 MET HGx H 1 1.249 0.025 A 14 MET CA C 13 55.822 0.148 A 14 MET CB C 13 30.909 0.148 A 14 MET CE C 13 16.001 0.148 A 14 MET CG C 13 30.787 0.148 A 14 MET N N 15 120.151 0.125 A 15 LYS H H 1 8.565 0.025 A 15 LYS HA H 1 4.457 0.025 A 15 LYS HBy H 1 1.565 0.025 A 15 LYS HBx H 1 1.177 0.025 A 15 LYS HDx H 1 1.425 0.025 A 15 LYS HDy H 1 1.425 0.025 A 15 LYS HEx H 1 2.814 0.025 A 15 LYS HEy H 1 2.814 0.025 A 15 LYS HGx H 1 1.212 0.025 A 15 LYS HGy H 1 1.212 0.025 A 15 LYS CA C 13 51.407 0.148 A 15 LYS CB C 13 32.453 0.148 A 15 LYS CD C 13 26.660 0.148 A 15 LYS CE C 13 39.562 0.148 A 15 LYS CG C 13 22.161 0.148 A 15 LYS N N 15 123.897 0.125 A 16 TRP H H 1 9.036 0.025 A 16 TRP HA H 1 5.075 0.025 A 16 TRP HBx H 1 2.889 0.025 A 16 TRP HBy H 1 3.244 0.025 A 16 TRP HD1 H 1 7.225 0.025 A 16 TRP HE1 H 1 10.857 0.025 A 16 TRP HE3 H 1 7.361 0.025 A 16 TRP HH2 H 1 5.893 0.025 A 16 TRP HZ2 H 1 7.057 0.025 A 16 TRP HZ3 H 1 6.640 0.025 A 16 TRP CA C 13 53.652 0.148 A 16 TRP CB C 13 28.000 0.148 A 16 TRP CD1 C 13 125.694 0.148 A 16 TRP CE3 C 13 116.724 0.148 A 16 TRP CH2 C 13 120.053 0.148 A 16 TRP CZ2 C 13 111.053 0.148 A 16 TRP CZ3 C 13 118.286 0.148 A 16 TRP N N 15 125.776 0.125 A 16 TRP NE1 N 15 131.684 0.125 A 17 SER H H 1 9.093 0.025 A 17 SER HA H 1 4.403 0.025 A 17 SER HBy H 1 3.928 0.025 A 17 SER HBx H 1 3.633 0.025 A 17 SER CA C 13 56.167 0.148 A 17 SER CB C 13 60.833 0.148 A 17 SER N N 15 120.772 0.125 A 18 LYS H H 1 7.652 0.025 A 18 LYS HA H 1 4.718 0.025 A 18 LYS HBx H 1 1.670 0.025 A 18 LYS HBy H 1 1.670 0.025 A 18 LYS HDx H 1 1.515 0.025 A 18 LYS HDy H 1 1.515 0.025 A 18 LYS HEx H 1 2.840 0.025 A 18 LYS HEy H 1 2.840 0.025 A 18 LYS HGx H 1 1.290 0.025 A 18 LYS HGy H 1 1.344 0.025 A 18 LYS CA C 13 53.735 0.148 A 18 LYS CB C 13 32.917 0.148 A 18 LYS CD C 13 26.793 0.148 A 18 LYS CE C 13 39.704 0.148 A 18 LYS CG C 13 22.051 0.148 A 18 LYS N N 15 121.096 0.125 A 19 VAL H H 1 8.032 0.025 A 19 VAL HA H 1 4.423 0.025 A 19 VAL HB H 1 1.740 0.025 A 19 VAL HGx% H 1 0.861 0.025 A 19 VAL HGy% H 1 0.675 0.025 A 19 VAL CA C 13 55.230 0.148 A 19 VAL CB C 13 31.026 0.148 A 19 VAL CGy C 13 20.332 0.148 A 19 VAL CGx C 13 15.475 0.148 A 19 VAL N N 15 116.358 0.125 A 20 PRO HA H 1 4.303 0.025 A 20 PRO HBy H 1 2.218 0.025 A 20 PRO HBx H 1 1.530 0.025 A 20 PRO HDy H 1 2.281 0.025 A 20 PRO HDx H 1 2.084 0.025 A 20 PRO HGx H 1 1.319 0.025 A 20 PRO HGy H 1 1.319 0.025 A 20 PRO CA C 13 59.770 0.148 A 20 PRO CB C 13 29.553 0.148 A 20 PRO CD C 13 47.054 0.148 A 20 PRO CG C 13 26.311 0.148 A 21 SER H H 1 8.660 0.025 A 21 SER HA H 1 4.084 0.025 A 21 SER HBx H 1 3.830 0.025 A 21 SER HBy H 1 3.830 0.025 A 21 SER CA C 13 57.657 0.148 A 21 SER CB C 13 60.173 0.148 A 21 SER N N 15 118.882 0.125 A 22 GLY H H 1 8.496 0.025 A 22 GLY HAy H 1 3.808 0.025 A 22 GLY CA C 13 42.404 0.148 A 22 GLY N N 15 109.523 0.125 A 23 LEU H H 1 7.188 0.025 A 23 LEU HA H 1 4.034 0.025 A 23 LEU HBy H 1 1.752 0.025 A 23 LEU HBx H 1 1.022 0.025 A 23 LEU HDx% H 1 0.650 0.025 A 23 LEU HDy% H 1 0.830 0.025 A 23 LEU HG H 1 1.372 0.025 A 23 LEU CA C 13 53.603 0.148 A 23 LEU CB C 13 40.071 0.148 A 23 LEU CDx C 13 21.673 0.148 A 23 LEU CDy C 13 24.312 0.148 A 23 LEU CG C 13 24.282 0.148 A 23 LEU N N 15 123.003 0.125 A 24 LYS H H 1 8.725 0.025 A 24 LYS HA H 1 4.510 0.025 A 24 LYS HBy H 1 1.748 0.025 A 24 LYS HBx H 1 1.652 0.025 A 24 LYS CA C 13 53.237 0.148 A 24 LYS CB C 13 32.161 0.148 A 24 LYS N N 15 129.004 0.125 A 25 ASN H H 1 9.528 0.025 A 25 ASN HA H 1 4.324 0.025 A 25 ASN HBy H 1 2.961 0.025 A 25 ASN HBx H 1 2.726 0.025 A 25 ASN HD2x H 1 6.835 0.025 A 25 ASN HD2y H 1 7.631 0.025 A 25 ASN CA C 13 51.620 0.148 A 25 ASN CB C 13 34.985 0.148 A 25 ASN N N 15 126.336 0.125 A 25 ASN ND2 N 15 113.017 0.125 A 26 GLY H H 1 8.601 0.025 A 26 GLY HAy H 1 4.080 0.025 A 26 GLY CA C 13 43.549 0.148 A 26 GLY N N 15 103.076 0.125 A 27 GLU H H 1 7.760 0.025 A 27 GLU HA H 1 5.202 0.025 A 27 GLU HBy H 1 1.867 0.025 A 27 GLU HBx H 1 1.758 0.025 A 27 GLU HGx H 1 1.775 0.025 A 27 GLU HGy H 1 1.864 0.025 A 27 GLU CA C 13 51.233 0.148 A 27 GLU CB C 13 30.761 0.148 A 27 GLU CG C 13 34.523 0.148 A 27 GLU N N 15 120.878 0.125 A 28 LEU H H 1 8.899 0.025 A 28 LEU HA H 1 4.555 0.025 A 28 LEU HBy H 1 1.574 0.025 A 28 LEU HBx H 1 0.633 0.025 A 28 LEU HDx% H 1 0.650 0.025 A 28 LEU HDy% H 1 0.565 0.025 A 28 LEU CA C 13 50.324 0.148 A 28 LEU CB C 13 43.517 0.148 A 28 LEU CDx C 13 21.259 0.148 A 28 LEU CDy C 13 21.739 0.148 A 28 LEU CG C 13 24.127 0.148 A 28 LEU N N 15 128.583 0.125 A 29 LYS H H 1 8.270 0.025 A 29 LYS HA H 1 4.901 0.025 A 29 LYS HBx H 1 1.657 0.025 A 29 LYS HBy H 1 1.733 0.025 A 29 LYS HDx H 1 1.606 0.025 A 29 LYS HDy H 1 1.606 0.025 A 29 LYS HEx H 1 2.914 0.025 A 29 LYS HEy H 1 2.914 0.025 A 29 LYS HGy H 1 1.454 0.025 A 29 LYS HGx H 1 1.215 0.025 A 29 LYS CA C 13 52.839 0.148 A 29 LYS CB C 13 29.523 0.148 A 29 LYS CD C 13 26.450 0.148 A 29 LYS CE C 13 39.278 0.148 A 29 LYS CG C 13 22.032 0.148 A 29 LYS N N 15 127.554 0.125 A 30 VAL H H 1 9.016 0.025 A 30 VAL HA H 1 4.184 0.025 A 30 VAL HB H 1 1.633 0.025 A 30 VAL HGx% H 1 1.163 0.025 A 30 VAL HGy% H 1 0.950 0.025 A 30 VAL CA C 13 58.308 0.148 A 30 VAL CB C 13 32.270 0.148 A 30 VAL CGx C 13 17.417 0.148 A 30 VAL CGy C 13 18.386 0.148 A 30 VAL N N 15 127.915 0.125 A 31 GLU H H 1 8.741 0.025 A 31 GLU HA H 1 4.361 0.025 A 31 GLU HBx H 1 2.047 0.025 A 31 GLU HBy H 1 2.474 0.025 A 31 GLU HGy H 1 2.456 0.025 A 31 GLU HGx H 1 2.407 0.025 A 31 GLU CA C 13 54.100 0.148 A 31 GLU CB C 13 27.703 0.148 A 31 GLU CG C 13 34.464 0.148 A 31 GLU N N 15 125.151 0.125 A 32 ALA H H 1 9.555 0.025 A 32 ALA HA H 1 4.016 0.025 A 32 ALA HB% H 1 1.379 0.025 A 32 ALA CA C 13 53.127 0.148 A 32 ALA CB C 13 15.266 0.148 A 32 ALA N N 15 126.271 0.125 A 33 GLU H H 1 8.358 0.025 A 33 GLU HA H 1 3.965 0.025 A 33 GLU HBy H 1 2.054 0.025 A 33 GLU HBx H 1 1.992 0.025 A 33 GLU HGy H 1 2.354 0.025 A 33 GLU HGx H 1 2.291 0.025 A 33 GLU CA C 13 55.985 0.148 A 33 GLU CB C 13 26.929 0.148 A 33 GLU CG C 13 33.787 0.148 A 33 GLU N N 15 113.076 0.125 A 34 GLY H H 1 7.619 0.025 A 34 GLY HAy H 1 3.180 0.025 A 34 GLY CA C 13 40.707 0.148 A 34 GLY N N 15 104.905 0.125 A 35 GLY H H 1 8.592 0.025 A 35 GLY HAy H 1 4.003 0.025 A 35 GLY CA C 13 42.988 0.148 A 35 GLY N N 15 105.946 0.125 A 36 SER H H 1 8.560 0.025 A 36 SER HA H 1 5.539 0.025 A 36 SER HBx H 1 3.732 0.025 A 36 SER HBy H 1 3.732 0.025 A 36 SER CA C 13 54.323 0.148 A 36 SER CB C 13 62.808 0.148 A 36 SER N N 15 116.044 0.125 A 37 SER H H 1 9.251 0.025 A 37 SER HA H 1 4.712 0.025 A 37 SER HBy H 1 3.571 0.025 A 37 SER HBx H 1 3.505 0.025 A 37 SER CA C 13 55.548 0.148 A 37 SER CB C 13 63.943 0.148 A 37 SER N N 15 119.501 0.125 A 38 LEU H H 1 7.902 0.025 A 38 LEU HA H 1 5.253 0.025 A 38 LEU HBx H 1 1.375 0.025 A 38 LEU HBy H 1 1.443 0.025 A 38 LEU HDx% H 1 0.753 0.025 A 38 LEU HDy% H 1 0.832 0.025 A 38 LEU HG H 1 1.363 0.025 A 38 LEU CA C 13 51.782 0.148 A 38 LEU CB C 13 42.834 0.148 A 38 LEU CDx C 13 22.485 0.148 A 38 LEU CDy C 13 22.645 0.148 A 38 LEU CG C 13 25.430 0.148 A 38 LEU N N 15 125.962 0.125 A 39 PHE H H 1 9.290 0.025 A 39 PHE HA H 1 5.139 0.025 A 39 PHE HBy H 1 2.891 0.025 A 39 PHE HBx H 1 2.501 0.025 A 39 PHE HDx H 1 6.392 0.025 A 39 PHE HDy H 1 6.392 0.025 A 39 PHE HEx H 1 6.354 0.025 A 39 PHE HEy H 1 6.354 0.025 A 39 PHE HZ H 1 6.418 0.025 A 39 PHE CA C 13 52.131 0.148 A 39 PHE CB C 13 38.952 0.148 A 39 PHE CDx C 13 128.910 0.148 A 39 PHE CDy C 13 128.910 0.148 A 39 PHE CEx C 13 126.665 0.148 A 39 PHE CEy C 13 126.665 0.148 A 39 PHE N N 15 124.707 0.125 A 40 ALA H H 1 9.328 0.025 A 40 ALA HA H 1 5.635 0.025 A 40 ALA HB% H 1 1.416 0.025 A 40 ALA CA C 13 48.301 0.148 A 40 ALA CB C 13 19.446 0.148 A 40 ALA N N 15 124.994 0.125 A 41 CYS H H 1 9.370 0.025 A 41 CYS HA H 1 4.146 0.025 A 41 CYS HBy H 1 2.713 0.025 A 41 CYS HBx H 1 2.265 0.025 A 41 CYS CA C 13 56.465 0.148 A 41 CYS CB C 13 25.973 0.148 A 41 CYS N N 15 125.757 0.125 A 42 LYS H H 1 9.261 0.025 A 42 LYS HA H 1 4.260 0.025 A 42 LYS HBx H 1 1.367 0.025 A 42 LYS HBy H 1 1.659 0.025 A 42 LYS HEx H 1 2.815 0.025 A 42 LYS HEy H 1 2.815 0.025 A 42 LYS HGx H 1 1.200 0.025 A 42 LYS HGy H 1 1.200 0.025 A 42 LYS CA C 13 54.851 0.148 A 42 LYS CB C 13 32.107 0.148 A 42 LYS CG C 13 21.876 0.148 A 42 LYS N N 15 129.019 0.125 A 43 ASN H H 1 8.500 0.025 A 43 ASN HA H 1 4.525 0.025 A 43 ASN HBy H 1 2.634 0.025 A 43 ASN HBx H 1 2.344 0.025 A 43 ASN HD2y H 1 7.422 0.025 A 43 ASN HD2x H 1 7.350 0.025 A 43 ASN CA C 13 50.235 0.148 A 43 ASN CB C 13 34.861 0.148 A 43 ASN N N 15 113.240 0.125 A 43 ASN ND2 N 15 113.266 0.125 A 44 TYR H H 1 7.331 0.025 A 44 TYR HA H 1 4.557 0.025 A 44 TYR HBx H 1 2.663 0.025 A 44 TYR HBy H 1 2.886 0.025 A 44 TYR HDx H 1 6.849 0.025 A 44 TYR HDy H 1 6.849 0.025 A 44 TYR HEx H 1 6.404 0.025 A 44 TYR HEy H 1 6.404 0.025 A 44 TYR CA C 13 55.718 0.148 A 44 TYR CB C 13 37.372 0.148 A 44 TYR CDy C 13 130.260 0.148 A 44 TYR CDx C 13 130.255 0.148 A 44 TYR CEy C 13 114.520 0.148 A 44 TYR CEx C 13 114.518 0.148 A 44 TYR N N 15 119.335 0.125 A 45 LYS H H 1 8.586 0.025 A 45 LYS HA H 1 4.036 0.025 A 45 LYS HBy H 1 1.786 0.025 A 45 LYS HBx H 1 1.718 0.025 A 45 LYS HDx H 1 1.591 0.025 A 45 LYS HDy H 1 1.591 0.025 A 45 LYS HEx H 1 2.916 0.025 A 45 LYS HEy H 1 2.916 0.025 A 45 LYS HGx H 1 1.373 0.025 A 45 LYS HGy H 1 1.409 0.025 A 45 LYS CA C 13 54.538 0.148 A 45 LYS CB C 13 30.233 0.148 A 45 LYS CD C 13 26.678 0.148 A 45 LYS CE C 13 39.560 0.148 A 45 LYS CG C 13 22.279 0.148 A 45 LYS N N 15 120.676 0.125 A 46 SER H H 1 7.473 0.025 A 46 SER HA H 1 4.388 0.025 A 46 SER HBx H 1 3.585 0.025 A 46 SER HBy H 1 3.682 0.025 A 46 SER CA C 13 53.664 0.148 A 46 SER CB C 13 61.810 0.148 A 46 SER N N 15 108.797 0.125 A 47 PHE H H 1 7.571 0.025 A 47 PHE HA H 1 4.642 0.025 A 47 PHE HBx H 1 2.726 0.025 A 47 PHE HBy H 1 2.875 0.025 A 47 PHE HDx H 1 6.717 0.025 A 47 PHE HDy H 1 6.717 0.025 A 47 PHE HEx H 1 7.149 0.025 A 47 PHE HEy H 1 7.149 0.025 A 47 PHE HZ H 1 7.257 0.025 A 47 PHE CA C 13 53.617 0.148 A 47 PHE CB C 13 37.101 0.148 A 47 PHE CDy C 13 129.050 0.148 A 47 PHE CDx C 13 129.046 0.148 A 47 PHE CEy C 13 127.970 0.148 A 47 PHE CEx C 13 127.969 0.148 A 47 PHE CZ C 13 125.910 0.148 A 47 PHE N N 15 117.325 0.125 A 48 TRP H H 1 8.794 0.025 A 48 TRP HA H 1 5.235 0.025 A 48 TRP HBy H 1 3.250 0.025 A 48 TRP HBx H 1 3.155 0.025 A 48 TRP HD1 H 1 6.925 0.025 A 48 TRP HE1 H 1 10.094 0.025 A 48 TRP HE3 H 1 7.282 0.025 A 48 TRP HH2 H 1 6.983 0.025 A 48 TRP HZ2 H 1 7.259 0.025 A 48 TRP HZ3 H 1 6.918 0.025 A 48 TRP CA C 13 53.492 0.148 A 48 TRP CB C 13 29.895 0.148 A 48 TRP CD1 C 13 123.758 0.148 A 48 TRP CE3 C 13 118.278 0.148 A 48 TRP CH2 C 13 120.576 0.148 A 48 TRP CZ2 C 13 111.168 0.148 A 48 TRP CZ3 C 13 118.316 0.148 A 48 TRP N N 15 117.090 0.125 A 48 TRP NE1 N 15 130.281 0.125 A 49 ILE H H 1 9.120 0.025 A 49 ILE HA H 1 4.031 0.025 A 49 ILE HB H 1 1.920 0.025 A 49 ILE HD1% H 1 0.922 0.025 A 49 ILE HG1y H 1 1.803 0.025 A 49 ILE HG1x H 1 0.569 0.025 A 49 ILE HG2% H 1 0.704 0.025 A 49 ILE CA C 13 60.473 0.148 A 49 ILE CB C 13 36.436 0.148 A 49 ILE CD1 C 13 13.627 0.148 A 49 ILE CG1 C 13 25.888 0.148 A 49 ILE CG2 C 13 15.145 0.148 A 49 ILE N N 15 119.682 0.125 A 50 SER H H 1 9.360 0.025 A 50 SER HA H 1 4.708 0.025 A 50 SER HBy H 1 3.001 0.025 A 50 SER HBx H 1 2.851 0.025 A 50 SER CA C 13 56.110 0.148 A 50 SER CB C 13 63.816 0.148 A 50 SER N N 15 124.071 0.125 A 51 SER H H 1 7.821 0.025 A 51 SER HA H 1 4.557 0.025 A 51 SER HBy H 1 3.940 0.025 A 51 SER HBx H 1 3.746 0.025 A 51 SER CA C 13 55.564 0.148 A 51 SER CB C 13 62.821 0.148 A 51 SER N N 15 111.253 0.125 A 52 VAL H H 1 8.677 0.025 A 52 VAL HA H 1 4.731 0.025 A 52 VAL HB H 1 1.079 0.025 A 52 VAL HGx% H 1 0.749 0.025 A 52 VAL HGy% H 1 0.487 0.025 A 52 VAL CA C 13 59.126 0.148 A 52 VAL CB C 13 32.500 0.148 A 52 VAL CGy C 13 19.563 0.148 A 52 VAL CGx C 13 18.596 0.148 A 52 VAL N N 15 121.147 0.125 A 53 LYS H H 1 8.875 0.025 A 53 LYS HA H 1 5.007 0.025 A 53 LYS HBx H 1 1.347 0.025 A 53 LYS HBy H 1 1.347 0.025 A 53 LYS HDx H 1 1.106 0.025 A 53 LYS HDy H 1 1.106 0.025 A 53 LYS HEy H 1 2.294 0.025 A 53 LYS HEx H 1 2.217 0.025 A 53 LYS HGx H 1 0.725 0.025 A 53 LYS HGy H 1 0.725 0.025 A 53 LYS CA C 13 51.723 0.148 A 53 LYS CB C 13 33.772 0.148 A 53 LYS CD C 13 26.837 0.148 A 53 LYS CE C 13 38.964 0.148 A 53 LYS CG C 13 22.234 0.148 A 53 LYS N N 15 126.128 0.125 A 54 GLU H H 1 8.752 0.025 A 54 GLU HA H 1 4.758 0.025 A 54 GLU HBx H 1 2.042 0.025 A 54 GLU HBy H 1 2.086 0.025 A 54 GLU CA C 13 53.259 0.148 A 54 GLU CB C 13 31.059 0.148 A 54 GLU CG C 13 33.727 0.148 A 54 GLU N N 15 124.160 0.125 A 55 GLU H H 1 9.537 0.025 A 55 GLU HA H 1 3.908 0.025 A 55 GLU HBx H 1 2.089 0.025 A 55 GLU HBy H 1 2.270 0.025 A 55 GLU HGx H 1 2.363 0.025 A 55 GLU HGy H 1 2.457 0.025 A 55 GLU CA C 13 54.546 0.148 A 55 GLU CB C 13 25.294 0.148 A 55 GLU CG C 13 34.054 0.148 A 55 GLU N N 15 127.218 0.125 A 56 GLY H H 1 8.543 0.025 A 56 GLY HAy H 1 3.440 0.025 A 56 GLY CA C 13 42.881 0.148 A 56 GLY N N 15 104.894 0.125 A 57 LYS H H 1 7.719 0.025 A 57 LYS HA H 1 4.564 0.025 A 57 LYS HBy H 1 1.830 0.025 A 57 LYS HBx H 1 1.743 0.025 A 57 LYS HDx H 1 1.684 0.025 A 57 LYS HDy H 1 1.684 0.025 A 57 LYS HEx H 1 3.014 0.025 A 57 LYS HEy H 1 3.014 0.025 A 57 LYS HGx H 1 1.389 0.025 A 57 LYS HGy H 1 1.389 0.025 A 57 LYS CA C 13 51.959 0.148 A 57 LYS CB C 13 32.188 0.148 A 57 LYS CD C 13 26.517 0.148 A 57 LYS CE C 13 39.711 0.148 A 57 LYS CG C 13 22.029 0.148 A 57 LYS N N 15 120.444 0.125 A 58 PHE H H 1 8.661 0.025 A 58 PHE HA H 1 4.771 0.025 A 58 PHE HBy H 1 3.082 0.025 A 58 PHE HBx H 1 2.887 0.025 A 58 PHE HDx H 1 7.290 0.025 A 58 PHE HDy H 1 7.290 0.025 A 58 PHE HEx H 1 7.255 0.025 A 58 PHE HEy H 1 7.255 0.025 A 58 PHE CA C 13 56.165 0.148 A 58 PHE CB C 13 36.902 0.148 A 58 PHE CDy C 13 128.733 0.148 A 58 PHE CDx C 13 128.730 0.148 A 58 PHE CEx C 13 126.905 0.148 A 58 PHE N N 15 121.824 0.125 A 59 LYS H H 1 8.680 0.025 A 59 LYS HA H 1 4.451 0.025 A 59 LYS HBy H 1 1.734 0.025 A 59 LYS HBx H 1 1.408 0.025 A 59 LYS HDy H 1 1.790 0.025 A 59 LYS HDx H 1 1.717 0.025 A 59 LYS HEx H 1 3.012 0.025 A 59 LYS HEy H 1 3.216 0.025 A 59 LYS HGx H 1 1.343 0.025 A 59 LYS HGy H 1 1.386 0.025 A 59 LYS CA C 13 50.985 0.148 A 59 LYS CB C 13 29.791 0.148 A 59 LYS CD C 13 25.036 0.148 A 59 LYS CE C 13 39.844 0.148 A 59 LYS CG C 13 21.367 0.148 A 59 LYS N N 15 123.205 0.125 A 60 GLU H H 1 8.743 0.025 A 60 GLU HA H 1 4.260 0.025 A 60 GLU HBx H 1 1.914 0.025 A 60 GLU HBy H 1 1.999 0.025 A 60 GLU HGx H 1 2.215 0.025 A 60 GLU HGy H 1 2.267 0.025 A 60 GLU CA C 13 53.906 0.148 A 60 GLU CB C 13 27.663 0.148 A 60 GLU CG C 13 33.712 0.148 A 60 GLU N N 15 122.647 0.125 A 61 ASN H H 1 8.631 0.025 A 61 ASN HA H 1 4.845 0.025 A 61 ASN HBy H 1 2.805 0.025 A 61 ASN HBx H 1 2.634 0.025 A 61 ASN HD2x H 1 6.691 0.025 A 61 ASN HD2y H 1 7.450 0.025 A 61 ASN CA C 13 50.752 0.148 A 61 ASN CB C 13 36.023 0.148 A 61 ASN N N 15 119.907 0.125 A 61 ASN ND2 N 15 112.888 0.125 A 62 THR H H 1 8.244 0.025 A 62 THR HA H 1 4.308 0.025 A 62 THR HB H 1 4.166 0.025 A 62 THR HG2% H 1 0.953 0.025 A 62 THR CA C 13 59.310 0.148 A 62 THR CB C 13 66.813 0.148 A 62 THR CG2 C 13 19.242 0.148 A 62 THR N N 15 113.271 0.125 A 63 SER H H 1 7.986 0.025 A 63 SER HA H 1 4.650 0.025 A 63 SER HBy H 1 4.069 0.025 A 63 SER HBx H 1 3.975 0.025 A 63 SER CA C 13 54.094 0.148 A 63 SER CB C 13 61.617 0.148 A 63 SER N N 15 116.521 0.125 A 64 TYR H H 1 8.292 0.025 A 64 TYR HA H 1 4.838 0.025 A 64 TYR HBy H 1 3.307 0.025 A 64 TYR HBx H 1 2.959 0.025 A 64 TYR HDx H 1 7.114 0.025 A 64 TYR HDy H 1 7.114 0.025 A 64 TYR HEx H 1 6.635 0.025 A 64 TYR HEy H 1 6.635 0.025 A 64 TYR CA C 13 56.403 0.148 A 64 TYR CB C 13 36.569 0.148 A 64 TYR CDy C 13 129.619 0.148 A 64 TYR CEy C 13 115.229 0.148 A 64 TYR N N 15 120.183 0.125 A 65 LYS H H 1 8.412 0.025 A 65 LYS HA H 1 4.721 0.025 A 65 LYS HBx H 1 1.812 0.025 A 65 LYS HBy H 1 2.197 0.025 A 65 LYS HDx H 1 1.598 0.025 A 65 LYS HDy H 1 1.675 0.025 A 65 LYS HEx H 1 2.826 0.025 A 65 LYS HEy H 1 2.826 0.025 A 65 LYS HGy H 1 1.422 0.025 A 65 LYS HGx H 1 1.274 0.025 A 65 LYS CA C 13 52.706 0.148 A 65 LYS CB C 13 31.820 0.148 A 65 LYS CD C 13 26.872 0.148 A 65 LYS CE C 13 39.666 0.148 A 65 LYS CG C 13 22.224 0.148 A 65 LYS N N 15 115.195 0.125 A 66 GLU H H 1 7.383 0.025 A 66 GLU HA H 1 5.213 0.025 A 66 GLU HBx H 1 1.982 0.025 A 66 GLU HBy H 1 1.982 0.025 A 66 GLU HGy H 1 2.065 0.025 A 66 GLU HGx H 1 2.004 0.025 A 66 GLU CA C 13 52.613 0.148 A 66 GLU CB C 13 30.793 0.148 A 66 GLU CG C 13 33.396 0.148 A 66 GLU N N 15 117.231 0.125 A 67 PHE H H 1 9.085 0.025 A 67 PHE HA H 1 4.430 0.025 A 67 PHE HBy H 1 2.970 0.025 A 67 PHE HBx H 1 2.439 0.025 A 67 PHE HDx H 1 6.967 0.025 A 67 PHE HDy H 1 6.967 0.025 A 67 PHE HEx H 1 7.187 0.025 A 67 PHE HEy H 1 7.187 0.025 A 67 PHE CA C 13 56.269 0.148 A 67 PHE CB C 13 40.275 0.148 A 67 PHE CDy C 13 128.292 0.148 A 67 PHE CDx C 13 128.290 0.148 A 67 PHE CEx C 13 128.287 0.148 A 67 PHE CEy C 13 128.290 0.148 A 67 PHE N N 15 121.532 0.125 A 68 ASP H H 1 7.769 0.025 A 68 ASP HA H 1 4.428 0.025 A 68 ASP HBy H 1 2.463 0.025 A 68 ASP HBx H 1 2.076 0.025 A 68 ASP CA C 13 49.556 0.148 A 68 ASP CB C 13 38.424 0.148 A 68 ASP N N 15 128.157 0.125 A 69 GLY H H 1 7.759 0.025 A 69 GLY HAy H 1 1.501 0.025 A 69 GLY CA C 13 40.899 0.148 A 69 GLY N N 15 114.151 0.125 A 70 GLY H H 1 8.682 0.025 A 70 GLY HAy H 1 4.390 0.025 A 70 GLY CA C 13 43.994 0.148 A 70 GLY N N 15 113.714 0.125 A 71 TRP H H 1 7.427 0.025 A 71 TRP HA H 1 4.808 0.025 A 71 TRP HBy H 1 3.870 0.025 A 71 TRP HBx H 1 3.023 0.025 A 71 TRP HD1 H 1 7.469 0.025 A 71 TRP HE1 H 1 10.742 0.025 A 71 TRP HE3 H 1 7.789 0.025 A 71 TRP HH2 H 1 6.819 0.025 A 71 TRP HZ2 H 1 7.383 0.025 A 71 TRP HZ3 H 1 6.903 0.025 A 71 TRP CA C 13 52.777 0.148 A 71 TRP CB C 13 25.645 0.148 A 71 TRP CD1 C 13 124.703 0.148 A 71 TRP CE3 C 13 120.101 0.148 A 71 TRP CH2 C 13 121.998 0.148 A 71 TRP CZ2 C 13 111.089 0.148 A 71 TRP CZ3 C 13 118.322 0.148 A 71 TRP N N 15 117.823 0.125 A 71 TRP NE1 N 15 132.896 0.125 A 72 TYR H H 1 6.174 0.025 A 72 TYR HA H 1 5.125 0.025 A 72 TYR HBy H 1 1.982 0.025 A 72 TYR HBx H 1 1.742 0.025 A 72 TYR HDx H 1 6.118 0.025 A 72 TYR HDy H 1 6.118 0.025 A 72 TYR HEx H 1 6.118 0.025 A 72 TYR HEy H 1 6.118 0.025 A 72 TYR CA C 13 51.435 0.148 A 72 TYR CB C 13 38.620 0.148 A 72 TYR CDx C 13 126.369 0.148 A 72 TYR CDy C 13 126.369 0.148 A 72 TYR CEx C 13 124.486 0.148 A 72 TYR CEy C 13 124.490 0.148 A 72 TYR N N 15 114.204 0.125 A 73 LEU H H 1 8.811 0.025 A 73 LEU HA H 1 4.767 0.025 A 73 LEU HBy H 1 1.484 0.025 A 73 LEU HBx H 1 1.339 0.025 A 73 LEU HDx% H 1 0.706 0.025 A 73 LEU CA C 13 51.332 0.148 A 73 LEU CB C 13 43.403 0.148 A 73 LEU CDx C 13 23.020 0.148 A 73 LEU N N 15 121.469 0.125 A 74 VAL H H 1 8.905 0.025 A 74 VAL HA H 1 4.783 0.025 A 74 VAL HB H 1 2.065 0.025 A 74 VAL HGx% H 1 0.872 0.025 A 74 VAL HGy% H 1 0.695 0.025 A 74 VAL CA C 13 57.812 0.148 A 74 VAL CB C 13 31.820 0.148 A 74 VAL CGx C 13 20.294 0.148 A 74 VAL CGy C 13 21.000 0.148 A 74 VAL N N 15 124.558 0.125 A 75 LYS H H 1 9.227 0.025 A 75 LYS HA H 1 5.110 0.025 A 75 LYS HBx H 1 1.599 0.025 A 75 LYS HBy H 1 1.763 0.025 A 75 LYS HDx H 1 1.514 0.025 A 75 LYS HDy H 1 1.514 0.025 A 75 LYS HEx H 1 2.830 0.025 A 75 LYS HEy H 1 2.830 0.025 A 75 LYS HGx H 1 1.306 0.025 A 75 LYS HGy H 1 1.306 0.025 A 75 LYS CA C 13 52.804 0.148 A 75 LYS CB C 13 34.575 0.148 A 75 LYS CD C 13 27.094 0.148 A 75 LYS CE C 13 39.741 0.148 A 75 LYS CG C 13 22.626 0.148 A 75 LYS N N 15 125.824 0.125 A 76 ILE H H 1 8.701 0.025 A 76 ILE HA H 1 5.078 0.025 A 76 ILE HB H 1 1.550 0.025 A 76 ILE HD1% H 1 0.920 0.025 A 76 ILE HG1y H 1 1.507 0.025 A 76 ILE HG1x H 1 0.895 0.025 A 76 ILE HG2% H 1 0.324 0.025 A 76 ILE CA C 13 57.367 0.148 A 76 ILE CB C 13 37.593 0.148 A 76 ILE CD1 C 13 13.622 0.148 A 76 ILE CG1 C 13 26.562 0.148 A 76 ILE CG2 C 13 14.059 0.148 A 76 ILE N N 15 124.647 0.125 A 77 GLU H H 1 8.714 0.025 A 77 GLU HA H 1 4.444 0.025 A 77 GLU HBx H 1 1.806 0.025 A 77 GLU HBy H 1 1.923 0.025 A 77 GLU HGy H 1 2.146 0.025 A 77 GLU HGx H 1 2.058 0.025 A 77 GLU CA C 13 52.471 0.148 A 77 GLU CB C 13 29.914 0.148 A 77 GLU CG C 13 33.811 0.148 A 77 GLU N N 15 128.081 0.125 A 78 ASP H H 1 9.145 0.025 A 78 ASP HA H 1 4.100 0.025 A 78 ASP HBx H 1 2.907 0.025 A 78 ASP HBy H 1 2.907 0.025 A 78 ASP CA C 13 54.063 0.148 A 78 ASP CB C 13 36.738 0.148 A 78 ASP N N 15 126.158 0.125 A 79 ASN H H 1 8.427 0.025 A 79 ASN HA H 1 4.646 0.025 A 79 ASN HBy H 1 3.446 0.025 A 79 ASN HBx H 1 2.717 0.025 A 79 ASN HD2x H 1 7.098 0.025 A 79 ASN HD2y H 1 7.826 0.025 A 79 ASN CA C 13 51.209 0.148 A 79 ASN CB C 13 35.350 0.148 A 79 ASN N N 15 118.653 0.125 A 79 ASN ND2 N 15 113.576 0.125 A 80 GLU H H 1 8.381 0.025 A 80 GLU HA H 1 5.509 0.025 A 80 GLU HBx H 1 1.813 0.025 A 80 GLU HBy H 1 2.239 0.025 A 80 GLU HGx H 1 2.004 0.025 A 80 GLU HGy H 1 2.436 0.025 A 80 GLU CA C 13 52.860 0.148 A 80 GLU CB C 13 29.673 0.148 A 80 GLU CG C 13 34.409 0.148 A 80 GLU N N 15 120.378 0.125 A 81 LEU H H 1 9.430 0.025 A 81 LEU HA H 1 4.966 0.025 A 81 LEU HBy H 1 2.099 0.025 A 81 LEU HBx H 1 1.553 0.025 A 81 LEU HDx% H 1 0.743 0.025 A 81 LEU HDy% H 1 0.143 0.025 A 81 LEU HG H 1 1.284 0.025 A 81 LEU CA C 13 51.014 0.148 A 81 LEU CB C 13 42.550 0.148 A 81 LEU CDx C 13 22.049 0.148 A 81 LEU CDy C 13 23.211 0.148 A 81 LEU CG C 13 25.056 0.148 A 81 LEU N N 15 125.771 0.125 A 82 LYS H H 1 9.512 0.025 A 82 LYS HA H 1 5.245 0.025 A 82 LYS HBx H 1 1.732 0.025 A 82 LYS HBy H 1 1.732 0.025 A 82 LYS HDx H 1 1.554 0.025 A 82 LYS HDy H 1 1.554 0.025 A 82 LYS HEx H 1 2.836 0.025 A 82 LYS HEy H 1 2.836 0.025 A 82 LYS HGy H 1 1.344 0.025 A 82 LYS HGx H 1 1.306 0.025 A 82 LYS CA C 13 52.332 0.148 A 82 LYS CB C 13 32.179 0.148 A 82 LYS CD C 13 26.867 0.148 A 82 LYS CE C 13 39.835 0.148 A 82 LYS CG C 13 23.168 0.148 A 82 LYS N N 15 128.076 0.125 A 83 VAL H H 1 8.627 0.025 A 83 VAL HA H 1 4.908 0.025 A 83 VAL HB H 1 1.730 0.025 A 83 VAL HGx% H 1 0.724 0.025 A 83 VAL HGy% H 1 0.230 0.025 A 83 VAL CA C 13 58.380 0.148 A 83 VAL CB C 13 32.168 0.148 A 83 VAL CGx C 13 18.038 0.148 A 83 VAL CGy C 13 18.318 0.148 A 83 VAL N N 15 124.216 0.125 A 84 ILE H H 1 9.049 0.025 A 84 ILE HA H 1 4.530 0.025 A 84 ILE HB H 1 1.671 0.025 A 84 ILE HD1% H 1 0.774 0.025 A 84 ILE HG1x H 1 1.095 0.025 A 84 ILE HG1y H 1 1.425 0.025 A 84 ILE HG2% H 1 0.770 0.025 A 84 ILE CA C 13 58.406 0.148 A 84 ILE CB C 13 38.166 0.148 A 84 ILE CD1 C 13 11.600 0.148 A 84 ILE CG1 C 13 25.218 0.148 A 84 ILE CG2 C 13 15.472 0.148 A 84 ILE N N 15 129.084 0.125 A 85 ILE H H 1 8.822 0.025 A 85 ILE HA H 1 4.585 0.025 A 85 ILE HB H 1 1.690 0.025 A 85 ILE HD1% H 1 0.893 0.025 A 85 ILE HG1x H 1 0.986 0.025 A 85 ILE HG1y H 1 0.986 0.025 A 85 ILE HG2% H 1 1.441 0.025 A 85 ILE CA C 13 58.460 0.148 A 85 ILE CB C 13 38.498 0.148 A 85 ILE CD1 C 13 12.505 0.148 A 85 ILE CG1 C 13 26.625 0.148 A 85 ILE CG2 C 13 16.537 0.148 A 85 ILE N N 15 127.360 0.125 A 86 ASN H H 1 8.961 0.025 A 86 ASN HA H 1 4.766 0.025 A 86 ASN HBx H 1 3.005 0.025 A 86 ASN HBy H 1 3.053 0.025 A 86 ASN HD2x H 1 6.730 0.025 A 86 ASN HD2y H 1 7.438 0.025 A 86 ASN CA C 13 50.182 0.148 A 86 ASN CB C 13 36.891 0.148 A 86 ASN N N 15 128.337 0.125 A 86 ASN ND2 N 15 110.023 0.125 A 87 ARG H H 1 8.373 0.025 A 87 ARG HA H 1 3.991 0.025 A 87 ARG HBy H 1 1.818 0.025 A 87 ARG HBx H 1 1.611 0.025 A 87 ARG HDy H 1 3.180 0.025 A 87 ARG HDx H 1 3.109 0.025 A 87 ARG HGy H 1 1.602 0.025 A 87 ARG HGx H 1 1.163 0.025 A 87 ARG CA C 13 54.198 0.148 A 87 ARG CB C 13 28.403 0.148 A 87 ARG CD C 13 40.886 0.148 A 87 ARG CG C 13 24.983 0.148 A 87 ARG N N 15 119.368 0.125 A 88 ASN H H 1 9.452 0.025 A 88 ASN HA H 1 4.725 0.025 A 88 ASN HBy H 1 2.998 0.025 A 88 ASN HBx H 1 2.384 0.025 A 88 ASN HD2x H 1 7.095 0.025 A 88 ASN HD2y H 1 7.283 0.025 A 88 ASN CA C 13 49.103 0.148 A 88 ASN CB C 13 34.757 0.148 A 88 ASN N N 15 125.082 0.125 A 88 ASN ND2 N 15 110.402 0.125 A 89 GLU H H 1 9.178 0.025 A 89 GLU HA H 1 4.358 0.025 A 89 GLU HBy H 1 2.174 0.025 A 89 GLU HBx H 1 1.766 0.025 A 89 GLU HGy H 1 2.089 0.025 A 89 GLU HGx H 1 1.999 0.025 A 89 GLU CA C 13 53.013 0.148 A 89 GLU CB C 13 27.084 0.148 A 89 GLU CG C 13 34.362 0.148 A 89 GLU N N 15 125.309 0.125 A 90 THR H H 1 7.837 0.025 A 90 THR HA H 1 4.534 0.025 A 90 THR HB H 1 4.270 0.025 A 90 THR HG2% H 1 1.147 0.025 A 90 THR CA C 13 58.161 0.148 A 90 THR CB C 13 68.409 0.148 A 90 THR CG2 C 13 18.538 0.148 A 90 THR N N 15 112.516 0.125 A 91 ASN H H 1 8.287 0.025 A 91 ASN HA H 1 4.707 0.025 A 91 ASN HBx H 1 2.765 0.025 A 91 ASN HBy H 1 2.830 0.025 A 91 ASN HD2x H 1 6.718 0.025 A 91 ASN HD2y H 1 7.391 0.025 A 91 ASN CA C 13 49.796 0.148 A 91 ASN CB C 13 35.474 0.148 A 91 ASN N N 15 116.717 0.125 A 91 ASN ND2 N 15 110.295 0.125 A 92 ALA H H 1 7.691 0.025 A 92 ALA HA H 1 4.636 0.025 A 92 ALA HB% H 1 1.240 0.025 A 92 ALA CA C 13 48.049 0.148 A 92 ALA CB C 13 19.716 0.148 A 92 ALA N N 15 122.025 0.125 A 93 SER H H 1 8.258 0.025 A 93 SER HA H 1 4.536 0.025 A 93 SER HBy H 1 3.821 0.025 A 93 SER HBx H 1 3.684 0.025 A 93 SER CA C 13 54.865 0.148 A 93 SER CB C 13 61.292 0.148 A 93 SER N N 15 115.895 0.125 A 94 ARG H H 1 8.334 0.025 A 94 ARG HA H 1 4.914 0.025 A 94 ARG HBx H 1 1.413 0.025 A 94 ARG HBy H 1 1.413 0.025 A 94 ARG HDx H 1 2.064 0.025 A 94 ARG HDy H 1 2.064 0.025 A 94 ARG HGx H 1 0.683 0.025 A 94 ARG HGy H 1 1.100 0.025 A 94 ARG CA C 13 52.096 0.148 A 94 ARG CB C 13 29.512 0.148 A 94 ARG CD C 13 40.728 0.148 A 94 ARG CG C 13 22.117 0.148 A 94 ARG N N 15 119.529 0.125 A 95 SER H H 1 8.947 0.025 A 95 SER HA H 1 5.926 0.025 A 95 SER HBy H 1 3.808 0.025 A 95 SER HBx H 1 3.748 0.025 A 95 SER CA C 13 54.219 0.148 A 95 SER CB C 13 65.271 0.148 A 95 SER N N 15 114.542 0.125 A 96 PHE H H 1 8.239 0.025 A 96 PHE HA H 1 5.338 0.025 A 96 PHE HBy H 1 2.765 0.025 A 96 PHE HBx H 1 2.646 0.025 A 96 PHE HDx H 1 6.290 0.025 A 96 PHE HDy H 1 6.290 0.025 A 96 PHE CA C 13 54.480 0.148 A 96 PHE CB C 13 38.868 0.148 A 96 PHE CDx C 13 128.720 0.148 A 96 PHE CDy C 13 128.721 0.148 A 96 PHE N N 15 117.183 0.125 A 97 THR H H 1 9.264 0.025 A 97 THR HA H 1 5.250 0.025 A 97 THR HB H 1 3.729 0.025 A 97 THR HG2% H 1 0.920 0.025 A 97 THR CA C 13 58.178 0.148 A 97 THR CB C 13 69.068 0.148 A 97 THR CG2 C 13 19.114 0.148 A 97 THR N N 15 115.263 0.125 A 98 VAL H H 1 9.316 0.025 A 98 VAL HA H 1 4.857 0.025 A 98 VAL HB H 1 2.127 0.025 A 98 VAL HGx% H 1 1.072 0.025 A 98 VAL HGy% H 1 1.167 0.025 A 98 VAL CA C 13 57.409 0.148 A 98 VAL CB C 13 32.929 0.148 A 98 VAL CGx C 13 18.301 0.148 A 98 VAL CGy C 13 20.178 0.148 A 98 VAL N N 15 125.442 0.125 A 99 CYS H H 1 8.883 0.025 A 99 CYS HA H 1 5.346 0.025 A 99 CYS HBy H 1 3.001 0.025 A 99 CYS HBx H 1 2.852 0.025 A 99 CYS CA C 13 53.951 0.148 A 99 CYS CB C 13 25.942 0.148 A 99 CYS N N 15 127.111 0.125 A 100 VAL H H 1 8.995 0.025 A 100 VAL HA H 1 5.383 0.025 A 100 VAL HB H 1 2.093 0.025 A 100 VAL HGx% H 1 0.884 0.025 A 100 VAL HGy% H 1 0.660 0.025 A 100 VAL CA C 13 55.713 0.148 A 100 VAL CB C 13 32.643 0.148 A 100 VAL CGy C 13 20.089 0.148 A 100 VAL CGx C 13 15.447 0.148 A 100 VAL N N 15 120.146 0.125 A 101 GLU H H 1 8.714 0.025 A 101 GLU HA H 1 4.752 0.025 A 101 GLU HBy H 1 1.523 0.025 A 101 GLU HBx H 1 1.259 0.025 A 101 GLU CA C 13 51.435 0.148 A 101 GLU CB C 13 31.721 0.148 A 101 GLU N N 15 118.807 0.125 A 102 ALA H H 1 7.893 0.025 A 102 ALA HA H 1 3.857 0.025 A 102 ALA HB% H 1 0.492 0.025 A 102 ALA CA C 13 47.878 0.148 A 102 ALA CB C 13 18.025 0.148 A 102 ALA N N 15 124.088 0.125 A 103 GLY H H 1 7.713 0.025 A 103 GLY HAy H 1 3.611 0.025 A 103 GLY CA C 13 44.643 0.148 A 103 GLY N N 15 111.186 0.125 A 104 ASN H H 1 8.604 0.025 A 104 ASN HA H 1 4.672 0.025 A 104 ASN HBy H 1 2.937 0.025 A 104 ASN HBx H 1 2.631 0.025 A 104 ASN HD2x H 1 6.918 0.025 A 104 ASN HD2y H 1 7.556 0.025 A 104 ASN CA C 13 50.696 0.148 A 104 ASN CB C 13 36.407 0.148 A 104 ASN N N 15 123.092 0.125 A 104 ASN ND2 N 15 112.693 0.125 A 105 ALA H H 1 7.725 0.025 A 105 ALA HA H 1 4.431 0.025 A 105 ALA HB% H 1 1.086 0.025 A 105 ALA CA C 13 48.668 0.148 A 105 ALA CB C 13 18.936 0.148 A 105 ALA N N 15 122.653 0.125 A 106 PHE H H 1 7.830 0.025 A 106 PHE HA H 1 5.417 0.025 A 106 PHE HBx H 1 2.879 0.025 A 106 PHE HBy H 1 2.879 0.025 A 106 PHE HDx H 1 6.970 0.025 A 106 PHE HDy H 1 6.970 0.025 A 106 PHE HEx H 1 7.156 0.025 A 106 PHE HEy H 1 7.156 0.025 A 106 PHE CA C 13 53.558 0.148 A 106 PHE CB C 13 40.484 0.148 A 106 PHE CDy C 13 129.272 0.148 A 106 PHE CDx C 13 129.270 0.148 A 106 PHE CEx C 13 126.706 0.148 A 106 PHE CEy C 13 126.710 0.148 A 106 PHE N N 15 116.011 0.125 A 107 ASP H H 1 8.972 0.025 A 107 ASP HA H 1 4.594 0.025 A 107 ASP HBy H 1 2.626 0.025 A 107 ASP HBx H 1 2.135 0.025 A 107 ASP CA C 13 50.524 0.148 A 107 ASP CB C 13 43.091 0.148 A 107 ASP N N 15 121.992 0.125 A 108 GLU H H 1 8.149 0.025 A 108 GLU HA H 1 5.009 0.025 A 108 GLU HBx H 1 1.673 0.025 A 108 GLU HBy H 1 1.673 0.025 A 108 GLU HGy H 1 1.908 0.025 A 108 GLU HGx H 1 1.766 0.025 A 108 GLU CA C 13 51.988 0.148 A 108 GLU CB C 13 31.317 0.148 A 108 GLU CG C 13 34.127 0.148 A 108 GLU N N 15 119.354 0.125 A 109 PHE H H 1 8.456 0.025 A 109 PHE HA H 1 4.958 0.025 A 109 PHE HBy H 1 2.223 0.025 A 109 PHE HBx H 1 2.069 0.025 A 109 PHE HDx H 1 6.297 0.025 A 109 PHE HDy H 1 6.297 0.025 A 109 PHE HEx H 1 6.200 0.025 A 109 PHE HEy H 1 6.200 0.025 A 109 PHE HZ H 1 5.321 0.025 A 109 PHE CA C 13 52.787 0.148 A 109 PHE CB C 13 40.443 0.148 A 109 PHE CDy C 13 127.504 0.148 A 109 PHE CDx C 13 127.500 0.148 A 109 PHE CEy C 13 127.362 0.148 A 109 PHE CEx C 13 127.360 0.148 A 109 PHE CZ C 13 125.684 0.148 A 109 PHE N N 15 122.098 0.125 A 110 LYS H H 1 8.416 0.025 A 110 LYS HA H 1 4.692 0.025 A 110 LYS HBx H 1 1.452 0.025 A 110 LYS HBy H 1 1.452 0.025 A 110 LYS HDx H 1 1.374 0.025 A 110 LYS HDy H 1 1.374 0.025 A 110 LYS HEy H 1 2.650 0.025 A 110 LYS HEx H 1 2.584 0.025 A 110 LYS HGx H 1 0.848 0.025 A 110 LYS HGy H 1 1.109 0.025 A 110 LYS CA C 13 51.891 0.148 A 110 LYS CB C 13 33.012 0.148 A 110 LYS CD C 13 26.976 0.148 A 110 LYS CE C 13 39.487 0.148 A 110 LYS CG C 13 22.543 0.148 A 110 LYS N N 15 124.500 0.125 A 111 PHE H H 1 8.586 0.025 A 111 PHE HA H 1 4.754 0.025 A 111 PHE HBy H 1 2.148 0.025 A 111 PHE HBx H 1 1.723 0.025 A 111 PHE HDx H 1 6.489 0.025 A 111 PHE HDy H 1 6.489 0.025 A 111 PHE HEx H 1 6.928 0.025 A 111 PHE HEy H 1 6.928 0.025 A 111 PHE CA C 13 58.184 0.148 A 111 PHE CB C 13 38.380 0.148 A 111 PHE CDx C 13 130.408 0.148 A 111 PHE CDy C 13 130.410 0.148 A 111 PHE CEy C 13 126.443 0.148 A 111 PHE CEx C 13 126.440 0.148 A 111 PHE N N 15 125.010 0.125 A 112 VAL H H 1 8.609 0.025 A 112 VAL HA H 1 4.440 0.025 A 112 VAL HB H 1 1.866 0.025 A 112 VAL HGx% H 1 0.768 0.025 A 112 VAL HGy% H 1 0.714 0.025 A 112 VAL CA C 13 58.256 0.148 A 112 VAL CB C 13 31.093 0.148 A 112 VAL CGy C 13 18.048 0.148 A 112 VAL CGx C 13 17.946 0.148 A 112 VAL N N 15 122.957 0.125 A 113 GLN H H 1 9.934 0.025 A 113 GLN HA H 1 5.319 0.025 A 113 GLN HBy H 1 2.163 0.025 A 113 GLN HBx H 1 1.398 0.025 A 113 GLN HE2y H 1 7.644 0.025 A 113 GLN HE2x H 1 7.141 0.025 A 113 GLN HGx H 1 2.173 0.025 A 113 GLN HGy H 1 2.687 0.025 A 113 GLN CA C 13 51.119 0.148 A 113 GLN CB C 13 28.164 0.148 A 113 GLN CG C 13 31.568 0.148 A 113 GLN N N 15 130.864 0.125 A 113 GLN NE2 N 15 112.021 0.125 A 114 ASP H H 1 8.107 0.025 A 114 ASP HA H 1 4.327 0.025 A 114 ASP HBy H 1 2.828 0.025 A 114 ASP HBx H 1 2.451 0.025 A 114 ASP CA C 13 51.773 0.148 A 114 ASP CB C 13 39.855 0.148 A 114 ASP N N 15 126.272 0.125 A 115 ALA H H 1 7.955 0.025 A 115 ALA HA H 1 3.699 0.025 A 115 ALA HB% H 1 0.969 0.025 A 115 ALA CA C 13 48.901 0.148 A 115 ALA CB C 13 17.751 0.148 A 115 ALA N N 15 120.134 0.125 A 116 ALA H H 1 8.005 0.025 A 116 ALA HA H 1 3.953 0.025 A 116 ALA HB% H 1 1.122 0.025 A 116 ALA CA C 13 49.988 0.148 A 116 ALA CB C 13 16.200 0.148 A 116 ALA N N 15 121.377 0.125 A 117 LYS H H 1 8.226 0.025 A 117 LYS HA H 1 4.139 0.025 A 117 LYS HBx H 1 1.655 0.025 A 117 LYS HBy H 1 1.748 0.025 A 117 LYS HDx H 1 1.624 0.025 A 117 LYS HDy H 1 1.624 0.025 A 117 LYS HEx H 1 2.951 0.025 A 117 LYS HEy H 1 2.951 0.025 A 117 LYS HGx H 1 1.376 0.025 A 117 LYS HGy H 1 1.376 0.025 A 117 LYS CA C 13 53.646 0.148 A 117 LYS CB C 13 30.579 0.148 A 117 LYS CD C 13 26.566 0.148 A 117 LYS CE C 13 39.649 0.148 A 117 LYS CG C 13 22.155 0.148 A 117 LYS N N 15 121.536 0.125 A 118 GLN H H 1 7.965 0.025 A 118 GLN HA H 1 4.060 0.025 A 118 GLN HBx H 1 1.808 0.025 A 118 GLN HBy H 1 2.017 0.025 A 118 GLN HE2y H 1 7.392 0.025 A 118 GLN HE2x H 1 6.744 0.025 A 118 GLN HGx H 1 2.189 0.025 A 118 GLN HGy H 1 2.189 0.025 A 118 GLN CA C 13 54.441 0.148 A 118 GLN CB C 13 27.998 0.148 A 118 GLN CG C 13 31.743 0.148 A 118 GLN N N 15 127.105 0.125 A 118 GLN NE2 N 15 112.522 0.125 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 71 TRP HE1 A 94 ARG HBx 1.0 . 5.46 2 1 A 71 TRP HE1 A 94 ARG HBy 1.0 . 5.46 3 2 A 71 TRP HE1 A 96 PHE HD% 1.0 . 5.50 4 3 A 71 TRP HE1 A 54 GLU HA 1.0 . 5.50 5 4 A 71 TRP HE1 A 71 TRP HBx 1.0 . 4.97 6 5 A 71 TRP HE1 A 54 GLU HBx 1.0 . 5.50 7 6 A 14 MET HA A 16 TRP HE1 1.0 . 5.50 8 7 A 16 TRP HE1 A 109 PHE HE% 1.0 . 5.09 9 8 A 16 TRP HE1 A 109 PHE HZ 1.0 . 4.29 10 9 A 16 TRP HE1 A 15 LYS HA 1.0 . 5.50 11 10 A 16 TRP HE1 A 107 ASP HBy 1.0 . 4.65 12 11 A 16 TRP HE1 A 107 ASP HBx 1.0 . 4.57 13 12 A 16 TRP HE1 A 14 MET HBy 1.0 . 4.33 14 13 A 16 TRP HE1 A 14 MET HGx 1.0 . 4.75 15 14 A 16 TRP HE1 A 14 MET H 1.0 . 5.50 16 15 A 16 TRP HE1 A 100 VAL HGy% 1.0 . 5.50 17 16 A 30 VAL H A 113 GLN H 1.0 . 5.34 18 17 A 113 GLN H A 113 GLN HBy 1.0 . 3.84 19 18 A 113 GLN H A 113 GLN HBx 1.0 . 4.02 20 19 A 96 PHE HD% A 113 GLN H 1.0 . 5.50 21 20 A 113 GLN H A 113 GLN HGy 1.0 . 5.44 22 21 A 48 TRP HE1 A 64 TYR HD% 1.0 . 5.41 23 22 A 48 TRP HE1 A 50 SER HA 1.0 . 4.97 24 23 A 48 TRP HE1 A 50 SER HBx 1.0 . 5.50 25 24 A 48 TRP HE1 A 101 GLU HBx 1.0 . 4.93 26 25 A 41 CYS HBy A 42 LYS H 1.0 . 5.50 27 26 A 42 LYS H A 17 SER H 1.0 . 4.19 28 27 A 42 LYS H A 18 LYS H 1.0 . 5.50 29 28 A 42 LYS H A 16 TRP HBy 1.0 . 5.50 30 29 A 42 LYS H A 41 CYS HBx 1.0 . 5.38 31 30 A 73 LEU H A 84 ILE H 1.0 . 3.83 32 31 A 24 LYS H A 25 ASN H 1.0 . 5.26 33 32 A 24 LYS H A 24 LYS HBy 1.0 . 3.43 34 33 A 24 LYS H A 23 LEU HG 1.0 . 3.89 35 34 A 24 LYS H A 23 LEU HBx 1.0 . 4.48 36 35 A 28 LEU H A 111 PHE HD% 1.0 . 5.50 37 36 A 28 LEU H A 111 PHE HA 1.0 . 4.06 38 37 A 28 LEU H A 27 GLU HGx 1.0 . 3.90 39 38 A 28 LEU H A 28 LEU HBy 1.0 . 3.78 40 39 A 28 LEU H A 28 LEU HBx 1.0 . 3.75 41 40 A 86 ASN H A 86 ASN HBx 1.0 . 3.42 42 40 A 86 ASN H A 86 ASN HBy 1.0 . 3.42 43 41 A 86 ASN H A 72 TYR HBy 1.0 . 5.50 44 42 A 86 ASN H A 84 ILE HG2% 1.0 . 5.50 45 43 A 86 ASN H A 86 ASN HD2y 1.0 . 5.46 46 44 A 86 ASN H A 85 ILE HB 1.0 . 4.63 47 45 A 81 LEU HDy% A 82 LYS H 1.0 . 5.50 48 46 A 82 LYS H A 39 PHE HD% 1.0 . 5.50 49 47 A 82 LYS H A 82 LYS HEx 1.0 . 5.50 50 47 A 82 LYS H A 82 LYS HEy 1.0 . 5.50 51 48 A 82 LYS H A 77 GLU H 1.0 . 5.50 52 49 A 67 PHE HBy A 68 ASP H 1.0 . 4.60 53 50 A 68 ASP H A 68 ASP HBx 1.0 . 3.59 54 51 A 68 ASP H A 73 LEU HDx% 1.0 . 5.10 55 52 A 82 LYS H A 75 LYS H 1.0 . 4.08 56 53 A 82 LYS H A 81 LEU HBy 1.0 . 5.32 57 54 A 82 LYS H A 82 LYS HDx 1.0 . 4.20 58 54 A 82 LYS H A 82 LYS HDy 1.0 . 4.20 59 55 A 82 LYS H A 82 LYS HGx 1.0 . 4.05 60 56 A 77 GLU H A 78 ASP H 1.0 . 4.59 61 57 A 77 GLU H A 80 GLU H 1.0 . 4.17 62 58 A 77 GLU H A 76 ILE HB 1.0 . 4.62 63 59 A 77 GLU H A 76 ILE HG1x 1.0 . 5.10 64 60 A 77 GLU H A 81 LEU HDx% 1.0 . 5.50 65 61 A 30 VAL H A 30 VAL HB 1.0 . 3.45 66 62 A 30 VAL H A 30 VAL HGy% 1.0 . 4.12 67 63 A 34 GLY HAx A 85 ILE H 1.0 . 5.50 68 64 A 30 VAL H A 29 LYS H 1.0 . 4.84 69 65 A 28 LEU H A 29 LYS H 1.0 . 4.96 70 66 A 29 LYS H A 29 LYS HBx 1.0 . 3.15 71 67 A 28 LEU HBx A 29 LYS H 1.0 . 3.76 72 68 A 85 ILE H A 34 GLY HAy 1.0 . 5.50 73 69 A 85 ILE H A 35 GLY HAx 1.0 . 5.50 74 70 A 85 ILE H A 36 SER HBx 1.0 . 5.14 75 70 A 85 ILE H A 36 SER HBy 1.0 . 5.14 76 71 A 85 ILE H A 72 TYR HA 1.0 . 5.50 77 72 A 54 GLU HA A 55 GLU H 1.0 . 3.46 78 73 A 55 GLU H A 57 LYS HEx 1.0 . 5.04 79 73 A 55 GLU H A 57 LYS HEy 1.0 . 5.04 80 74 A 55 GLU H A 55 GLU HBx 1.0 . 4.12 81 75 A 85 ILE H A 37 SER H 1.0 . 5.32 82 76 A 55 GLU H A 57 LYS HGx 1.0 . 5.48 83 76 A 55 GLU H A 57 LYS HGy 1.0 . 5.48 84 77 A 99 CYS H A 108 GLU HA 1.0 . 5.50 85 78 A 99 CYS H A 108 GLU HBx 1.0 . 5.50 86 78 A 99 CYS H A 108 GLU HBy 1.0 . 5.50 87 79 A 99 CYS H A 98 VAL HGx% 1.0 . 4.52 88 80 A 99 CYS H A 98 VAL H 1.0 . 4.78 89 81 A 118 GLN H A 118 GLN HBx 1.0 . 3.30 90 82 A 118 GLN H A 117 LYS HGx 1.0 . 4.25 91 82 A 118 GLN H A 117 LYS HGy 1.0 . 4.25 92 83 A 118 GLN H A 116 ALA HB% 1.0 . 4.85 93 84 A 99 CYS H A 97 THR HB 1.0 . 5.50 94 85 A 32 ALA H A 34 GLY H 1.0 . 5.20 95 86 A 32 ALA H A 31 GLU HBy 1.0 . 3.25 96 87 A 32 ALA H A 31 GLU H 1.0 . 4.81 97 88 A 113 GLN H A 114 ASP H 1.0 . 4.98 98 89 A 32 ALA H A 114 ASP H 1.0 . 5.27 99 90 A 113 GLN HGy A 114 ASP H 1.0 . 4.28 100 91 A 113 GLN HBx A 114 ASP H 1.0 . 4.47 101 92 A 30 VAL H A 114 ASP H 1.0 . 4.28 102 93 A 114 ASP H A 113 GLN HE2x 1.0 . 5.50 103 94 A 114 ASP H A 113 GLN HGx 1.0 . 3.91 104 95 A 30 VAL HGy% A 114 ASP H 1.0 . 5.50 105 96 A 78 ASP H A 79 ASN H 1.0 . 5.02 106 97 A 78 ASP H A 77 GLU HBy 1.0 . 4.38 107 98 A 78 ASP H A 77 GLU HBx 1.0 . 4.50 108 99 A 53 LYS H A 96 PHE HA 1.0 . 5.50 109 100 A 53 LYS H A 97 THR H 1.0 . 3.90 110 101 A 53 LYS H A 52 VAL HA 1.0 . 3.15 111 102 A 97 THR HB A 53 LYS H 1.0 . 4.34 112 103 A 53 LYS H A 54 GLU HBy 1.0 . 5.50 113 104 A 53 LYS H A 52 VAL HB 1.0 . 4.57 114 105 A 53 LYS H A 97 THR HG2% 1.0 . 5.37 115 106 A 53 LYS H A 52 VAL HGy% 1.0 . 4.83 116 107 A 53 LYS H A 96 PHE HBy 1.0 . 5.50 117 108 A 38 LEU H A 39 PHE HE% 1.0 . 5.35 118 109 A 38 LEU H A 20 PRO HDx 1.0 . 5.27 119 110 A 38 LEU H A 39 PHE H 1.0 . 4.67 120 111 A 38 LEU H A 37 SER HA 1.0 . 2.98 121 112 A 38 LEU H A 37 SER HBy 1.0 . 3.81 122 113 A 38 LEU H A 20 PRO HBy 1.0 . 4.82 123 114 A 38 LEU H A 38 LEU HBx 1.0 . 3.24 124 115 A 38 LEU H A 38 LEU HDx% 1.0 . 4.96 125 116 A 16 TRP H A 41 CYS HA 1.0 . 5.50 126 117 A 38 LEU H A 83 VAL H 1.0 . 5.50 127 118 A 38 LEU H A 20 PRO HA 1.0 . 5.30 128 119 A 39 PHE HBy A 81 LEU H 1.0 . 4.40 129 120 A 81 LEU HBy A 81 LEU H 1.0 . 3.91 130 121 A 39 PHE HD% A 81 LEU H 1.0 . 5.31 131 122 A 16 TRP HZ3 A 41 CYS H 1.0 . 4.94 132 123 A 41 CYS H A 40 ALA HB% 1.0 . 4.34 133 124 A 41 CYS H A 79 ASN HD2y 1.0 . 4.94 134 125 A 75 LYS H A 74 VAL H 1.0 . 5.17 135 126 A 75 LYS H A 74 VAL HA 1.0 . 3.15 136 127 A 75 LYS H A 74 VAL HB 1.0 . 4.79 137 128 A 75 LYS H A 75 LYS HBy 1.0 . 3.69 138 129 A 75 LYS H A 81 LEU HDx% 1.0 . 4.18 139 130 A 75 LYS H A 76 ILE H 1.0 . 5.11 140 131 A 16 TRP HE1 A 16 TRP H 1.0 . 5.50 141 132 A 16 TRP H A 16 TRP HBx 1.0 . 3.55 142 133 A 16 TRP H A 15 LYS HGx 1.0 . 4.03 143 133 A 16 TRP H A 15 LYS HGy 1.0 . 4.03 144 134 A 16 TRP H A 19 VAL HGy% 1.0 . 5.50 145 135 A 16 TRP H A 19 VAL HGx% 1.0 . 5.03 146 136 A 81 LEU H A 76 ILE HA 1.0 . 5.50 147 137 A 98 VAL H A 110 LYS HA 1.0 . 4.60 148 138 A 98 VAL H A 109 PHE HD% 1.0 . 5.19 149 139 A 98 VAL H A 97 THR HB 1.0 . 4.60 150 140 A 98 VAL H A 98 VAL HB 1.0 . 3.93 151 141 A 98 VAL HGx% A 98 VAL H 1.0 . 4.98 152 142 A 88 ASN H A 89 GLU H 1.0 . 5.27 153 143 A 89 GLU H A 88 ASN HA 1.0 . 3.15 154 144 A 89 GLU H A 88 ASN HBy 1.0 . 5.23 155 145 A 89 GLU H A 88 ASN HD2x 1.0 . 5.50 156 146 A 89 GLU H A 88 ASN HBx 1.0 . 5.04 157 147 A 88 ASN H A 33 GLU H 1.0 . 4.74 158 148 A 88 ASN H A 113 GLN HE2y 1.0 . 4.07 159 149 A 88 ASN H A 88 ASN HBy 1.0 . 3.80 160 150 A 88 ASN H A 88 ASN HBx 1.0 . 4.00 161 151 A 113 GLN HGx A 88 ASN H 1.0 . 5.50 162 152 A 30 VAL H A 31 GLU H 1.0 . 4.99 163 153 A 31 GLU H A 35 GLY H 1.0 . 5.50 164 154 A 31 GLU H A 31 GLU HGy 1.0 . 3.26 165 155 A 31 GLU H A 31 GLU HBx 1.0 . 3.37 166 156 A 30 VAL HB A 31 GLU H 1.0 . 4.84 167 157 A 30 VAL HGy% A 31 GLU H 1.0 . 4.61 168 158 A 11 ALA H A 12 ASP HA 1.0 . 4.90 169 159 A 11 ALA H A 10 LEU HG 1.0 . 4.06 170 160 A 113 GLN HE2x A 88 ASN H 1.0 . 4.46 171 161 A 88 ASN H A 87 ARG HBx 1.0 . 4.10 172 162 A 88 ASN H A 32 ALA HB% 1.0 . 4.78 173 163 A 16 TRP HBy A 40 ALA H 1.0 . 5.35 174 164 A 40 ALA H A 39 PHE HBx 1.0 . 4.41 175 165 A 16 TRP HZ3 A 40 ALA H 1.0 . 5.50 176 166 A 39 PHE HBy A 40 ALA H 1.0 . 4.56 177 167 A 110 LYS HA A 111 PHE H 1.0 . 3.29 178 168 A 111 PHE H A 111 PHE HBx 1.0 . 4.06 179 169 A 98 VAL H A 111 PHE H 1.0 . 5.28 180 170 A 28 LEU H A 111 PHE H 1.0 . 5.50 181 171 A 111 PHE H A 95 SER HBy 1.0 . 5.50 182 172 A 39 PHE H A 83 VAL H 1.0 . 5.50 183 173 A 81 LEU HBy A 39 PHE H 1.0 . 4.72 184 174 A 74 VAL H A 66 GLU HA 1.0 . 5.34 185 175 A 76 ILE H A 65 LYS HA 1.0 . 4.64 186 176 A 76 ILE H A 65 LYS HBy 1.0 . 4.71 187 177 A 76 ILE HB A 76 ILE H 1.0 . 3.22 188 178 A 81 LEU HDx% A 76 ILE H 1.0 . 5.43 189 179 A 76 ILE H A 76 ILE HG2% 1.0 . 4.70 190 180 A 98 VAL H A 110 LYS H 1.0 . 5.50 191 181 A 74 VAL H A 67 PHE H 1.0 . 3.84 192 182 A 68 ASP H A 74 VAL H 1.0 . 5.03 193 183 A 74 VAL H A 73 LEU HA 1.0 . 3.12 194 184 A 74 VAL H A 73 LEU HBy 1.0 . 4.82 195 185 A 74 VAL H A 75 LYS HGx 1.0 . 4.26 196 185 A 74 VAL H A 75 LYS HGy 1.0 . 4.26 197 186 A 73 LEU HDx% A 74 VAL H 1.0 . 4.04 198 187 A 110 LYS H A 109 PHE HBy 1.0 . 4.40 199 188 A 110 LYS H A 109 PHE HBx 1.0 . 4.80 200 189 A 110 LYS H A 110 LYS HGy 1.0 . 5.47 201 190 A 28 LEU H A 110 LYS H 1.0 . 4.91 202 191 A 109 PHE HD% A 110 LYS H 1.0 . 4.59 203 192 A 110 LYS H A 110 LYS HBx 1.0 . 3.45 204 192 A 110 LYS H A 110 LYS HBy 1.0 . 3.45 205 193 A 110 LYS H A 28 LEU HDy% 1.0 . 5.50 206 194 A 111 PHE HD% A 110 LYS H 1.0 . 5.50 207 195 A 82 LYS H A 83 VAL H 1.0 . 4.60 208 196 A 37 SER H A 83 VAL H 1.0 . 3.66 209 197 A 39 PHE HE% A 83 VAL H 1.0 . 5.32 210 198 A 83 VAL H A 36 SER HA 1.0 . 5.06 211 199 A 83 VAL H A 82 LYS HBx 1.0 . 3.33 212 199 A 83 VAL H A 82 LYS HBy 1.0 . 3.33 213 200 A 83 VAL H A 83 VAL HGx% 1.0 . 4.00 214 201 A 84 ILE H A 83 VAL H 1.0 . 4.66 215 202 A 50 SER H A 100 VAL HGx% 1.0 . 5.22 216 203 A 55 GLU H A 54 GLU H 1.0 . 5.17 217 204 A 54 GLU H A 57 LYS HEx 1.0 . 5.12 218 204 A 57 LYS HEy A 54 GLU H 1.0 . 5.12 219 205 A 54 GLU H A 53 LYS HBx 1.0 . 3.59 220 205 A 54 GLU H A 53 LYS HBy 1.0 . 3.59 221 206 A 54 GLU H A 53 LYS HDx 1.0 . 5.50 222 206 A 54 GLU H A 53 LYS HDy 1.0 . 5.50 223 207 A 54 GLU H A 53 LYS HGx 1.0 . 4.06 224 207 A 54 GLU H A 53 LYS HGy 1.0 . 4.06 225 208 A 102 ALA H A 107 ASP H 1.0 . 5.50 226 209 A 102 ALA H A 105 ALA H 1.0 . 3.86 227 210 A 102 ALA H A 106 PHE HA 1.0 . 4.15 228 211 A 102 ALA H A 101 GLU HA 1.0 . 3.29 229 212 A 102 ALA H A 105 ALA HB% 1.0 . 4.65 230 213 A 102 ALA H A 103 GLY HAx 1.0 . 5.50 231 214 A 50 SER H A 100 VAL HB 1.0 . 5.48 232 215 A 50 SER H A 49 ILE HB 1.0 . 5.50 233 216 A 42 LYS H A 15 LYS H 1.0 . 5.50 234 217 A 101 GLU HBx A 102 ALA H 1.0 . 4.74 235 218 A 16 TRP H A 15 LYS H 1.0 . 5.50 236 219 A 15 LYS H A 43 ASN HD2y 1.0 . 4.10 237 220 A 15 LYS H A 44 TYR HE% 1.0 . 4.55 238 221 A 15 LYS H A 14 MET HBx 1.0 . 4.72 239 222 A 15 LYS H A 15 LYS HGx 1.0 . 3.57 240 222 A 15 LYS HGy A 15 LYS H 1.0 . 3.57 241 223 A 15 LYS H A 43 ASN HBy 1.0 . 5.50 242 224 A 58 PHE HD% A 59 LYS H 1.0 . 4.70 243 225 A 59 LYS H A 58 PHE HBx 1.0 . 4.50 244 226 A 59 LYS H A 53 LYS HA 1.0 . 3.95 245 227 A 59 LYS H A 58 PHE HBy 1.0 . 4.13 246 228 A 59 LYS H A 59 LYS HBy 1.0 . 3.88 247 229 A 59 LYS H A 59 LYS HGy 1.0 . 3.35 248 230 A 59 LYS H A 52 VAL HGx% 1.0 . 4.93 249 231 A 52 VAL HGy% A 59 LYS H 1.0 . 5.50 250 232 A 103 GLY HAy A 104 ASN H 1.0 . 3.52 251 233 A 30 VAL H A 112 VAL H 1.0 . 4.48 252 234 A 111 PHE HA A 112 VAL H 1.0 . 2.99 253 235 A 102 ALA H A 104 ASN H 1.0 . 5.50 254 236 A 6 ASP H A 5 SER HBx 1.0 . 3.85 255 236 A 5 SER HBy A 6 ASP H 1.0 . 3.85 256 237 A 6 ASP H A 6 ASP HBy 1.0 . 3.87 257 238 A 6 ASP H A 6 ASP HBx 1.0 . 3.63 258 239 A 24 LYS H A 23 LEU H 1.0 . 4.45 259 240 A 23 LEU H A 22 GLY H 1.0 . 3.49 260 241 A 29 LYS H A 23 LEU H 1.0 . 5.50 261 242 A 39 PHE HE% A 23 LEU H 1.0 . 5.50 262 243 A 20 PRO HBy A 23 LEU H 1.0 . 4.94 263 244 A 23 LEU H A 23 LEU HBy 1.0 . 3.10 264 245 A 23 LEU H A 20 PRO HBx 1.0 . 4.15 265 246 A 23 LEU HBx A 23 LEU H 1.0 . 3.15 266 247 A 28 LEU H A 112 VAL H 1.0 . 4.64 267 248 A 113 GLN H A 112 VAL H 1.0 . 4.83 268 249 A 111 PHE HD% A 112 VAL H 1.0 . 5.10 269 250 A 112 VAL H A 111 PHE HBy 1.0 . 4.89 270 251 A 23 LEU H A 28 LEU HA 1.0 . 5.50 271 252 A 60 GLU H A 60 GLU HBx 1.0 . 3.32 272 253 A 59 LYS HBy A 60 GLU H 1.0 . 3.59 273 254 A 60 GLU H A 59 LYS HGy 1.0 . 4.09 274 255 A 44 TYR HE% A 12 ASP H 1.0 . 5.50 275 256 A 12 ASP H A 12 ASP HBx 1.0 . 3.27 276 257 A 10 LEU HG A 12 ASP H 1.0 . 5.23 277 258 A 105 ALA HB% A 12 ASP H 1.0 . 5.29 278 259 A 105 ALA H A 106 PHE HD% 1.0 . 5.50 279 260 A 105 ALA H A 103 GLY HAy 1.0 . 4.61 280 261 A 105 ALA H A 102 ALA HB% 1.0 . 5.27 281 262 A 105 ALA H A 104 ASN H 1.0 . 3.41 282 263 A 105 ALA H A 103 GLY HAx 1.0 . 5.50 283 264 A 105 ALA H A 104 ASN HBy 1.0 . 4.73 284 265 A 98 VAL H A 109 PHE H 1.0 . 4.03 285 266 A 109 PHE H A 100 VAL H 1.0 . 5.12 286 267 A 109 PHE H A 111 PHE HE% 1.0 . 5.50 287 268 A 109 PHE H A 99 CYS HA 1.0 . 4.04 288 269 A 109 PHE HBx A 109 PHE H 1.0 . 3.96 289 270 A 109 PHE H A 108 GLU HBx 1.0 . 3.95 290 270 A 108 GLU HBy A 109 PHE H 1.0 . 3.95 291 271 A 110 LYS HA A 109 PHE H 1.0 . 5.50 292 272 A 107 ASP H A 106 PHE HD% 1.0 . 4.93 293 273 A 107 ASP H A 101 GLU HA 1.0 . 4.39 294 274 A 100 VAL HGy% A 107 ASP H 1.0 . 4.21 295 275 A 107 ASP H A 106 PHE H 1.0 . 4.85 296 276 A 100 VAL HGy% A 109 PHE H 1.0 . 5.50 297 277 A 109 PHE H A 108 GLU H 1.0 . 4.94 298 278 A 91 ASN H A 92 ALA H 1.0 . 3.25 299 279 A 92 ALA H A 116 ALA H 1.0 . 4.02 300 280 A 92 ALA H A 88 ASN HD2y 1.0 . 5.20 301 281 A 88 ASN HD2x A 92 ALA H 1.0 . 4.58 302 282 A 92 ALA H A 90 THR HB 1.0 . 3.65 303 283 A 92 ALA H A 115 ALA HA 1.0 . 4.15 304 284 A 100 VAL HGx% A 107 ASP H 1.0 . 5.50 305 285 A 57 LYS H A 58 PHE H 1.0 . 4.51 306 286 A 58 PHE H A 57 LYS HGx 1.0 . 4.36 307 286 A 57 LYS HGy A 58 PHE H 1.0 . 4.36 308 287 A 10 LEU HG A 10 LEU H 1.0 . 3.10 309 288 A 10 LEU H A 11 ALA HB% 1.0 . 5.50 310 289 A 10 LEU H A 8 ASP HA 1.0 . 5.50 311 290 A 67 PHE H A 67 PHE HD% 1.0 . 5.28 312 291 A 67 PHE H A 75 LYS HGx 1.0 . 5.48 313 291 A 67 PHE H A 75 LYS HGy 1.0 . 5.48 314 292 A 68 ASP H A 67 PHE H 1.0 . 5.00 315 293 A 74 VAL HA A 67 PHE H 1.0 . 4.93 316 294 A 73 LEU HDx% A 67 PHE H 1.0 . 4.84 317 295 A 73 LEU H A 69 GLY H 1.0 . 5.50 318 296 A 73 LEU H A 83 VAL HA 1.0 . 4.75 319 297 A 73 LEU H A 85 ILE HA 1.0 . 4.23 320 298 A 73 LEU H A 83 VAL HGy% 1.0 . 5.38 321 299 A 118 GLN H A 117 LYS H 1.0 . 3.79 322 300 A 117 LYS H A 117 LYS HBx 1.0 . 3.13 323 301 A 117 LYS H A 115 ALA HB% 1.0 . 4.90 324 302 A 10 LEU H A 9 GLY HAy 1.0 . 3.43 325 303 A 117 LYS H A 118 GLN HGx 1.0 . 5.50 326 303 A 117 LYS H A 118 GLN HGy 1.0 . 5.50 327 304 A 88 ASN HBx A 116 ALA H 1.0 . 5.50 328 305 A 116 ALA H A 117 LYS H 1.0 . 4.64 329 306 A 116 ALA H A 90 THR H 1.0 . 4.64 330 307 A 116 ALA H A 88 ASN HD2y 1.0 . 4.33 331 308 A 88 ASN HD2x A 116 ALA H 1.0 . 4.34 332 309 A 116 ALA H A 91 ASN HA 1.0 . 3.84 333 310 A 116 ALA H A 115 ALA HB% 1.0 . 3.54 334 311 A 88 ASN HBy A 116 ALA H 1.0 . 5.50 335 312 A 51 SER HA A 52 VAL H 1.0 . 3.27 336 313 A 52 VAL H A 51 SER HBy 1.0 . 4.12 337 314 A 52 VAL H A 53 LYS HBx 1.0 . 5.35 338 314 A 53 LYS HBy A 52 VAL H 1.0 . 5.35 339 315 A 18 LYS H A 40 ALA H 1.0 . 3.59 340 316 A 17 SER H A 18 LYS H 1.0 . 3.09 341 317 A 18 LYS H A 16 TRP HA 1.0 . 4.01 342 318 A 18 LYS H A 19 VAL HGx% 1.0 . 4.86 343 319 A 58 PHE HD% A 52 VAL H 1.0 . 5.50 344 320 A 18 LYS H A 41 CYS HA 1.0 . 5.44 345 321 A 18 LYS H A 19 VAL HGy% 1.0 . 5.50 346 322 A 18 LYS H A 16 TRP HBy 1.0 . 4.49 347 323 A 18 LYS H A 16 TRP HBx 1.0 . 4.70 348 324 A 28 LEU H A 27 GLU H 1.0 . 4.50 349 325 A 24 LYS H A 27 GLU H 1.0 . 3.50 350 326 A 27 GLU H A 26 GLY H 1.0 . 3.39 351 327 A 27 GLU H A 24 LYS HA 1.0 . 4.98 352 328 A 27 GLU H A 25 ASN HA 1.0 . 4.86 353 329 A 27 GLU H A 25 ASN HBx 1.0 . 5.25 354 330 A 27 GLU H A 27 GLU HBy 1.0 . 3.19 355 331 A 23 LEU HG A 27 GLU H 1.0 . 4.38 356 332 A 25 ASN H A 27 GLU H 1.0 . 5.42 357 333 A 110 LYS H A 27 GLU H 1.0 . 5.19 358 334 A 27 GLU H A 25 ASN HBy 1.0 . 5.32 359 335 A 17 SER H A 16 TRP HE3 1.0 . 5.31 360 336 A 17 SER H A 17 SER HBx 1.0 . 4.09 361 337 A 17 SER H A 16 TRP HBy 1.0 . 4.37 362 338 A 17 SER H A 42 LYS HBy 1.0 . 4.18 363 339 A 17 SER H A 40 ALA HB% 1.0 . 4.68 364 340 A 17 SER H A 18 LYS HA 1.0 . 5.20 365 341 A 17 SER H A 16 TRP HBx 1.0 . 4.73 366 342 A 17 SER H A 19 VAL HGx% 1.0 . 5.50 367 343 A 44 TYR HD% A 45 LYS H 1.0 . 5.50 368 344 A 45 LYS H A 44 TYR HA 1.0 . 3.27 369 345 A 45 LYS H A 44 TYR HBy 1.0 . 4.53 370 346 A 45 LYS H A 45 LYS HBx 1.0 . 3.53 371 347 A 45 LYS H A 45 LYS HGx 1.0 . 4.11 372 348 A 45 LYS H A 44 TYR HBx 1.0 . 5.14 373 349 A 80 GLU H A 79 ASN HBy 1.0 . 5.50 374 350 A 78 ASP H A 80 GLU H 1.0 . 5.50 375 351 A 80 GLU H A 78 ASP HA 1.0 . 5.50 376 352 A 80 GLU H A 78 ASP HBx 1.0 . 4.06 377 352 A 80 GLU H A 78 ASP HBy 1.0 . 4.06 378 353 A 80 GLU H A 80 GLU HBy 1.0 . 3.54 379 354 A 80 GLU H A 81 LEU H 1.0 . 5.01 380 355 A 80 GLU H A 76 ILE HA 1.0 . 5.41 381 356 A 80 GLU H A 80 GLU HGy 1.0 . 4.18 382 357 A 80 GLU H A 76 ILE HG2% 1.0 . 5.11 383 358 A 54 GLU H A 57 LYS H 1.0 . 3.71 384 359 A 57 LYS H A 58 PHE HA 1.0 . 5.50 385 360 A 55 GLU HBx A 57 LYS H 1.0 . 4.86 386 361 A 57 LYS H A 57 LYS HBx 1.0 . 3.81 387 362 A 57 LYS H A 57 LYS HGx 1.0 . 3.76 388 362 A 57 LYS HGy A 57 LYS H 1.0 . 3.76 389 363 A 55 GLU H A 57 LYS H 1.0 . 5.02 390 364 A 57 LYS H A 56 GLY H 1.0 . 3.62 391 365 A 53 LYS HA A 57 LYS H 1.0 . 5.15 392 366 A 80 GLU H A 77 GLU HA 1.0 . 5.50 393 367 A 49 ILE H A 64 TYR H 1.0 . 5.47 394 368 A 64 TYR H A 65 LYS HBx 1.0 . 5.50 395 369 A 106 PHE HD% A 100 VAL H 1.0 . 5.50 396 370 A 100 VAL H A 108 GLU HGy 1.0 . 5.50 397 371 A 100 VAL H A 99 CYS HBy 1.0 . 4.72 398 372 A 100 VAL H A 99 CYS HBx 1.0 . 4.41 399 373 A 100 VAL HGx% A 100 VAL H 1.0 . 4.76 400 374 A 14 MET H A 13 PRO HA 1.0 . 3.16 401 375 A 14 MET H A 14 MET HGy 1.0 . 3.66 402 376 A 64 TYR H A 65 LYS HGx 1.0 . 5.50 403 377 A 64 TYR H A 63 SER H 1.0 . 4.73 404 378 A 64 TYR H A 66 GLU H 1.0 . 4.68 405 379 A 64 TYR HD% A 64 TYR H 1.0 . 4.34 406 380 A 64 TYR H A 63 SER HA 1.0 . 3.37 407 381 A 64 TYR H A 63 SER HBx 1.0 . 4.04 408 382 A 64 TYR H A 64 TYR HBy 1.0 . 4.02 409 383 A 64 TYR H A 64 TYR HBx 1.0 . 3.67 410 384 A 32 ALA HB% A 115 ALA H 1.0 . 5.50 411 385 A 88 ASN HD2y A 115 ALA H 1.0 . 5.50 412 386 A 115 ALA H A 93 SER HA 1.0 . 4.24 413 387 A 61 ASN H A 61 ASN HD2y 1.0 . 5.50 414 388 A 61 ASN H A 61 ASN HBx 1.0 . 3.81 415 389 A 61 ASN H A 62 THR HG2% 1.0 . 5.50 416 390 A 49 ILE H A 61 ASN HD2y 1.0 . 5.50 417 391 A 76 ILE HB A 49 ILE H 1.0 . 5.50 418 392 A 49 ILE H A 48 TRP HBy 1.0 . 3.78 419 393 A 49 ILE H A 64 TYR HBx 1.0 . 5.17 420 394 A 49 ILE H A 49 ILE HG1x 1.0 . 3.93 421 395 A 37 SER H A 38 LEU H 1.0 . 4.92 422 396 A 37 SER H A 38 LEU HA 1.0 . 4.94 423 397 A 37 SER H A 84 ILE HA 1.0 . 4.14 424 398 A 37 SER H A 36 SER HBx 1.0 . 3.64 425 398 A 36 SER HBy A 37 SER H 1.0 . 3.64 426 399 A 37 SER H A 82 LYS HBx 1.0 . 4.22 427 399 A 37 SER H A 82 LYS HBy 1.0 . 4.22 428 400 A 113 GLN H A 94 ARG H 1.0 . 3.86 429 401 A 88 ASN HD2x A 94 ARG H 1.0 . 5.16 430 402 A 94 ARG H A 93 SER HBy 1.0 . 3.59 431 403 A 94 ARG H A 93 SER HBx 1.0 . 3.82 432 404 A 113 GLN HBy A 94 ARG H 1.0 . 4.84 433 405 A 94 ARG H A 94 ARG HBx 1.0 . 3.97 434 405 A 94 ARG HBy A 94 ARG H 1.0 . 3.97 435 406 A 94 ARG H A 94 ARG HGy 1.0 . 3.88 436 407 A 94 ARG H A 94 ARG HGx 1.0 . 4.03 437 408 A 94 ARG H A 95 SER H 1.0 . 4.85 438 409 A 88 ASN H A 87 ARG H 1.0 . 4.79 439 410 A 86 ASN H A 87 ARG H 1.0 . 4.81 440 411 A 87 ARG H A 86 ASN HA 1.0 . 3.17 441 412 A 34 GLY HAy A 87 ARG H 1.0 . 5.50 442 413 A 87 ARG H A 86 ASN HBx 1.0 . 3.30 443 413 A 86 ASN HBy A 87 ARG H 1.0 . 3.30 444 414 A 87 ARG H A 87 ARG HBy 1.0 . 3.35 445 415 A 87 ARG HBx A 87 ARG H 1.0 . 3.20 446 416 A 107 ASP H A 108 GLU H 1.0 . 4.57 447 417 A 99 CYS HA A 108 GLU H 1.0 . 5.50 448 418 A 107 ASP HBx A 108 GLU H 1.0 . 4.13 449 419 A 108 GLU H A 108 GLU HBx 1.0 . 3.47 450 419 A 108 GLU HBy A 108 GLU H 1.0 . 3.47 451 420 A 100 VAL HGy% A 108 GLU H 1.0 . 5.50 452 421 A 42 LYS HA A 44 TYR H 1.0 . 5.50 453 422 A 44 TYR HBx A 44 TYR H 1.0 . 3.64 454 423 A 102 ALA HB% A 44 TYR H 1.0 . 5.50 455 424 A 108 GLU H A 106 PHE HBx 1.0 . 5.50 456 424 A 108 GLU H A 106 PHE HBy 1.0 . 5.50 457 425 A 42 LYS H A 44 TYR H 1.0 . 5.03 458 426 A 45 LYS HGx A 44 TYR H 1.0 . 5.33 459 427 A 44 TYR H A 43 ASN H 1.0 . 3.13 460 428 A 44 TYR HD% A 44 TYR H 1.0 . 4.31 461 429 A 44 TYR HBy A 44 TYR H 1.0 . 4.02 462 430 A 8 ASP H A 9 GLY H 1.0 . 3.36 463 431 A 8 ASP H A 7 PRO HDx 1.0 . 4.15 464 431 A 8 ASP H A 7 PRO HDy 1.0 . 4.15 465 432 A 8 ASP H A 8 ASP HBx 1.0 . 3.41 466 433 A 8 ASP H A 7 PRO HBx 1.0 . 3.91 467 434 A 22 GLY H A 21 SER H 1.0 . 4.24 468 435 A 20 PRO HA A 21 SER H 1.0 . 2.98 469 436 A 20 PRO HBy A 21 SER H 1.0 . 4.11 470 437 A 20 PRO HBx A 21 SER H 1.0 . 4.38 471 438 A 21 SER H A 20 PRO HGx 1.0 . 4.98 472 438 A 21 SER H A 20 PRO HGy 1.0 . 4.98 473 439 A 100 VAL H A 101 GLU H 1.0 . 5.01 474 440 A 50 SER HBx A 101 GLU H 1.0 . 5.50 475 441 A 50 SER H A 101 GLU H 1.0 . 4.58 476 442 A 101 GLU H A 49 ILE HA 1.0 . 4.80 477 443 A 101 GLU H A 47 PHE HD% 1.0 . 5.50 478 444 A 79 ASN H A 79 ASN HBx 1.0 . 3.90 479 445 A 79 ASN H A 80 GLU HBy 1.0 . 5.39 480 446 A 79 ASN H A 80 GLU HGy 1.0 . 4.98 481 447 A 79 ASN H A 80 GLU HGx 1.0 . 5.50 482 448 A 69 GLY H A 71 TRP H 1.0 . 5.20 483 449 A 71 TRP H A 72 TYR HBx 1.0 . 5.50 484 450 A 71 TRP HE1 A 71 TRP H 1.0 . 5.17 485 451 A 71 TRP H A 70 GLY H 1.0 . 4.45 486 452 A 72 TYR HA A 71 TRP H 1.0 . 5.50 487 453 A 71 TRP H A 69 GLY HAx 1.0 . 5.29 488 454 A 96 PHE HD% A 96 PHE H 1.0 . 4.20 489 455 A 97 THR H A 96 PHE H 1.0 . 4.89 490 456 A 47 PHE H A 48 TRP H 1.0 . 4.98 491 457 A 47 PHE H A 76 ILE HD1% 1.0 . 5.50 492 458 A 102 ALA HB% A 47 PHE H 1.0 . 5.50 493 459 A 47 PHE H A 46 SER HBx 1.0 . 4.55 494 460 A 66 GLU H A 65 LYS H 1.0 . 2.97 495 461 A 66 GLU H A 63 SER HBy 1.0 . 4.06 496 462 A 67 PHE HBy A 66 GLU H 1.0 . 4.90 497 463 A 66 GLU H A 66 GLU HBx 1.0 . 3.44 498 463 A 66 GLU H A 66 GLU HBy 1.0 . 3.44 499 464 A 67 PHE H A 66 GLU H 1.0 . 4.56 500 465 A 65 LYS HGx A 66 GLU H 1.0 . 5.50 501 466 A 66 GLU H A 49 ILE HG1x 1.0 . 4.12 502 467 A 49 ILE H A 48 TRP H 1.0 . 5.16 503 468 A 48 TRP H A 47 PHE HBy 1.0 . 4.04 504 469 A 48 TRP H A 47 PHE HBx 1.0 . 3.74 505 470 A 48 TRP H A 14 MET HE% 1.0 . 5.50 506 471 A 48 TRP H A 48 TRP HD1 1.0 . 5.00 507 472 A 100 VAL HB A 48 TRP H 1.0 . 5.09 508 473 A 113 GLN H A 96 PHE H 1.0 . 5.50 509 474 A 95 SER H A 96 PHE H 1.0 . 5.49 510 475 A 111 PHE H A 96 PHE H 1.0 . 4.05 511 476 A 96 PHE H A 112 VAL HA 1.0 . 4.64 512 477 A 96 PHE H A 53 LYS HGx 1.0 . 4.96 513 477 A 53 LYS HGy A 96 PHE H 1.0 . 4.96 514 478 A 95 SER HBy A 96 PHE H 1.0 . 3.47 515 479 A 111 PHE HBy A 96 PHE H 1.0 . 4.93 516 480 A 111 PHE HBx A 96 PHE H 1.0 . 4.48 517 481 A 66 GLU H A 49 ILE HG2% 1.0 . 5.50 518 482 A 65 LYS HBy A 66 GLU H 1.0 . 5.50 519 483 A 49 ILE HA A 48 TRP H 1.0 . 5.50 520 484 A 48 TRP H A 102 ALA HA 1.0 . 5.30 521 485 A 48 TRP H A 76 ILE HD1% 1.0 . 5.30 522 486 A 91 ASN H A 115 ALA HB% 1.0 . 5.34 523 487 A 91 ASN H A 90 THR HA 1.0 . 3.08 524 488 A 91 ASN H A 90 THR HB 1.0 . 3.00 525 489 A 63 SER H A 62 THR H 1.0 . 3.23 526 490 A 67 PHE HD% A 63 SER H 1.0 . 5.17 527 491 A 63 SER H A 63 SER HBy 1.0 . 3.48 528 492 A 18 LYS H A 19 VAL H 1.0 . 4.43 529 493 A 18 LYS HA A 19 VAL H 1.0 . 2.77 530 494 A 19 VAL H A 18 LYS HBx 1.0 . 4.04 531 494 A 19 VAL H A 18 LYS HBy 1.0 . 4.04 532 495 A 40 ALA H A 19 VAL H 1.0 . 5.50 533 496 A 5 SER H A 5 SER HBx 1.0 . 3.73 534 496 A 5 SER HBy A 5 SER H 1.0 . 3.73 535 497 A 84 ILE HG2% A 36 SER H 1.0 . 5.50 536 498 A 37 SER H A 36 SER H 1.0 . 4.70 537 499 A 36 SER H A 36 SER HBx 1.0 . 3.23 538 499 A 36 SER HBy A 36 SER H 1.0 . 3.23 539 500 A 85 ILE H A 36 SER H 1.0 . 5.27 540 501 A 14 MET H A 106 PHE H 1.0 . 5.50 541 502 A 106 PHE H A 106 PHE HE% 1.0 . 5.50 542 503 A 106 PHE HD% A 106 PHE H 1.0 . 4.32 543 504 A 106 PHE H A 14 MET HGy 1.0 . 5.50 544 505 A 14 MET HGx A 106 PHE H 1.0 . 5.30 545 506 A 105 ALA HB% A 106 PHE H 1.0 . 3.84 546 507 A 93 SER H A 114 ASP HA 1.0 . 5.23 547 508 A 92 ALA H A 93 SER H 1.0 . 4.81 548 509 A 93 SER H A 94 ARG HBx 1.0 . 5.50 549 509 A 94 ARG HBy A 93 SER H 1.0 . 5.50 550 510 A 97 THR H A 52 VAL HA 1.0 . 4.19 551 511 A 97 THR H A 96 PHE HBy 1.0 . 3.88 552 512 A 97 THR H A 96 PHE HBx 1.0 . 3.98 553 513 A 97 THR H A 97 THR HG2% 1.0 . 4.99 554 514 A 97 THR HB A 97 THR H 1.0 . 3.69 555 515 A 97 THR H A 54 GLU HBy 1.0 . 5.50 556 516 A 66 GLU HA A 65 LYS H 1.0 . 5.50 557 517 A 64 TYR HBy A 65 LYS H 1.0 . 4.81 558 518 A 65 LYS H A 65 LYS HGy 1.0 . 4.83 559 519 A 65 LYS HGx A 65 LYS H 1.0 . 4.53 560 520 A 49 ILE HG1x A 65 LYS H 1.0 . 5.33 561 521 A 64 TYR HD% A 65 LYS H 1.0 . 5.50 562 522 A 65 LYS H A 63 SER HBy 1.0 . 4.91 563 523 A 64 TYR HBx A 65 LYS H 1.0 . 4.52 564 524 A 65 LYS H A 66 GLU HBx 1.0 . 5.16 565 524 A 65 LYS H A 66 GLU HBy 1.0 . 5.16 566 525 A 65 LYS HBx A 65 LYS H 1.0 . 3.96 567 526 A 76 ILE HD1% A 65 LYS H 1.0 . 5.50 568 527 A 95 SER H A 94 ARG HDx 1.0 . 5.50 569 527 A 95 SER H A 94 ARG HDy 1.0 . 5.50 570 528 A 113 GLN H A 95 SER H 1.0 . 5.50 571 529 A 95 SER H A 71 TRP HH2 1.0 . 5.12 572 530 A 95 SER H A 94 ARG HBx 1.0 . 3.61 573 530 A 94 ARG HBy A 95 SER H 1.0 . 3.61 574 531 A 94 ARG HGy A 95 SER H 1.0 . 5.50 575 532 A 94 ARG HGx A 95 SER H 1.0 . 4.89 576 533 A 73 LEU H A 72 TYR H 1.0 . 4.77 577 534 A 71 TRP H A 72 TYR H 1.0 . 3.26 578 535 A 85 ILE HA A 72 TYR H 1.0 . 5.50 579 536 A 72 TYR H A 70 GLY HAx 1.0 . 4.66 580 537 A 72 TYR H A 69 GLY HAy 1.0 . 5.46 581 538 A 71 TRP HBx A 72 TYR H 1.0 . 4.93 582 539 A 73 LEU HBy A 72 TYR H 1.0 . 4.63 583 540 A 74 VAL H A 69 GLY H 1.0 . 4.80 584 541 A 69 GLY H A 67 PHE HE% 1.0 . 5.35 585 542 A 67 PHE HD% A 69 GLY H 1.0 . 5.24 586 543 A 68 ASP HBx A 69 GLY H 1.0 . 4.86 587 544 A 73 LEU HA A 69 GLY H 1.0 . 4.27 588 545 A 69 GLY H A 68 ASP HBy 1.0 . 5.10 589 546 A 72 TYR H A 70 GLY HAy 1.0 . 5.50 590 547 A 70 GLY H A 72 TYR H 1.0 . 4.33 591 548 A 69 GLY H A 72 TYR H 1.0 . 4.24 592 549 A 72 TYR H A 71 TRP HBy 1.0 . 5.48 593 550 A 73 LEU HDx% A 72 TYR H 1.0 . 5.50 594 551 A 69 GLY H A 70 GLY H 1.0 . 3.42 595 552 A 70 GLY H A 68 ASP HBy 1.0 . 5.50 596 553 A 68 ASP HBx A 70 GLY H 1.0 . 5.50 597 554 A 79 ASN H A 79 ASN HD2y 1.0 . 5.50 598 555 A 42 LYS HA A 79 ASN HD2x 1.0 . 5.50 599 556 A 79 ASN HD2y A 79 ASN HA 1.0 . 5.50 600 557 A 79 ASN HD2y A 42 LYS HA 1.0 . 5.50 601 558 A 79 ASN HD2x A 45 LYS HDx 1.0 . 5.50 602 558 A 79 ASN HD2x A 45 LYS HDy 1.0 . 5.50 603 559 A 79 ASN H A 79 ASN HD2x 1.0 . 5.50 604 560 A 79 ASN HD2x A 40 ALA HA 1.0 . 5.50 605 561 A 41 CYS H A 79 ASN HD2x 1.0 . 5.02 606 562 A 17 SER H A 43 ASN H 1.0 . 5.50 607 563 A 42 LYS HBy A 43 ASN H 1.0 . 4.77 608 564 A 42 LYS H A 43 ASN H 1.0 . 3.50 609 565 A 44 TYR HD% A 43 ASN H 1.0 . 5.50 610 566 A 16 TRP HA A 43 ASN H 1.0 . 5.10 611 567 A 44 TYR HBy A 43 ASN H 1.0 . 5.50 612 568 A 43 ASN HBy A 43 ASN H 1.0 . 4.16 613 569 A 43 ASN H A 43 ASN HBx 1.0 . 4.10 614 570 A 61 ASN H A 62 THR H 1.0 . 4.28 615 571 A 62 THR H A 61 ASN HBy 1.0 . 4.97 616 572 A 61 ASN HBx A 62 THR H 1.0 . 5.06 617 573 A 43 ASN HD2y A 44 TYR HE% 1.0 . 5.50 618 574 A 14 MET HA A 43 ASN HD2y 1.0 . 5.01 619 575 A 15 LYS H A 43 ASN HD2x 1.0 . 5.25 620 576 A 44 TYR HE% A 43 ASN HD2x 1.0 . 5.50 621 577 A 43 ASN HD2x A 43 ASN HA 1.0 . 5.50 622 578 A 14 MET HA A 43 ASN HD2x 1.0 . 5.42 623 579 A 43 ASN HD2y A 15 LYS HDx 1.0 . 5.50 624 579 A 43 ASN HD2y A 15 LYS HDy 1.0 . 5.50 625 580 A 43 ASN HD2x A 15 LYS HEx 1.0 . 5.50 626 580 A 43 ASN HD2x A 15 LYS HEy 1.0 . 5.50 627 581 A 25 ASN HA A 25 ASN HD2x 1.0 . 5.50 628 582 A 32 ALA H A 33 GLU H 1.0 . 3.52 629 583 A 31 GLU H A 33 GLU H 1.0 . 5.23 630 584 A 34 GLY H A 33 GLU H 1.0 . 3.42 631 585 A 113 GLN HE2x A 33 GLU H 1.0 . 5.30 632 586 A 33 GLU H A 31 GLU HGy 1.0 . 4.32 633 587 A 33 GLU H A 32 ALA HB% 1.0 . 3.75 634 588 A 33 GLU H A 30 VAL HGx% 1.0 . 5.50 635 589 A 25 ASN HA A 25 ASN HD2y 1.0 . 5.44 636 590 A 25 ASN HBx A 25 ASN HD2y 1.0 . 3.54 637 591 A 61 ASN HD2y A 62 THR H 1.0 . 5.50 638 592 A 63 SER H A 61 ASN HD2y 1.0 . 5.16 639 593 A 61 ASN HD2y A 61 ASN HA 1.0 . 4.60 640 594 A 61 ASN HD2y A 61 ASN HBx 1.0 . 3.83 641 595 A 49 ILE HB A 61 ASN HD2y 1.0 . 5.15 642 596 A 63 SER H A 61 ASN HD2x 1.0 . 5.26 643 597 A 67 PHE HD% A 61 ASN HD2x 1.0 . 4.55 644 598 A 61 ASN HA A 61 ASN HD2x 1.0 . 5.18 645 599 A 49 ILE HB A 61 ASN HD2x 1.0 . 5.29 646 600 A 49 ILE HG1x A 61 ASN HD2x 1.0 . 5.50 647 601 A 104 ASN H A 104 ASN HD2y 1.0 . 5.43 648 602 A 104 ASN HD2y A 104 ASN HBx 1.0 . 3.60 649 603 A 104 ASN H A 104 ASN HD2x 1.0 . 5.50 650 604 A 104 ASN HD2x A 104 ASN HA 1.0 . 5.50 651 605 A 88 ASN HBy A 90 THR H 1.0 . 5.50 652 606 A 89 GLU H A 90 THR H 1.0 . 3.27 653 607 A 91 ASN H A 90 THR H 1.0 . 4.80 654 608 A 88 ASN HD2y A 90 THR H 1.0 . 5.23 655 609 A 88 ASN HD2x A 90 THR H 1.0 . 5.13 656 610 A 88 ASN HA A 90 THR H 1.0 . 3.94 657 611 A 116 ALA HB% A 118 GLN HE2x 1.0 . 5.50 658 612 A 113 GLN HE2y A 35 GLY H 1.0 . 5.50 659 613 A 33 GLU H A 113 GLN HE2y 1.0 . 5.50 660 614 A 34 GLY HAx A 113 GLN HE2y 1.0 . 4.71 661 615 A 88 ASN HBx A 113 GLN HE2y 1.0 . 5.35 662 616 A 113 GLN HE2y A 30 VAL HGx% 1.0 . 5.24 663 617 A 113 GLN HE2y A 85 ILE HD1% 1.0 . 5.50 664 618 A 34 GLY HAy A 113 GLN HE2y 1.0 . 5.05 665 619 A 113 GLN HE2x A 88 ASN HBy 1.0 . 5.50 666 620 A 113 GLN HE2x A 88 ASN HBx 1.0 . 5.50 667 621 A 113 GLN HBx A 113 GLN HE2x 1.0 . 4.45 668 622 A 50 SER H A 51 SER H 1.0 . 3.33 669 623 A 52 VAL H A 51 SER H 1.0 . 4.85 670 624 A 51 SER H A 50 SER HBy 1.0 . 4.42 671 625 A 100 VAL HGx% A 51 SER H 1.0 . 5.50 672 626 A 88 ASN HD2y A 32 ALA HA 1.0 . 5.50 673 627 A 88 ASN HA A 88 ASN HD2y 1.0 . 5.50 674 628 A 88 ASN HD2y A 94 ARG H 1.0 . 5.50 675 629 A 116 ALA HB% A 88 ASN HD2y 1.0 . 5.50 676 630 A 88 ASN HD2x A 32 ALA HB% 1.0 . 5.50 677 631 A 88 ASN HD2x A 94 ARG HGx 1.0 . 5.50 678 632 A 88 ASN HA A 88 ASN HD2x 1.0 . 5.50 679 633 A 116 ALA HB% A 88 ASN HD2x 1.0 . 5.47 680 634 A 91 ASN H A 91 ASN HD2y 1.0 . 5.50 681 635 A 91 ASN HA A 91 ASN HD2y 1.0 . 4.65 682 636 A 91 ASN HD2y A 90 THR HG2% 1.0 . 5.50 683 637 A 91 ASN HD2y A 91 ASN HBx 1.0 . 3.56 684 638 A 91 ASN H A 91 ASN HD2x 1.0 . 5.50 685 639 A 91 ASN HA A 91 ASN HD2x 1.0 . 5.01 686 640 A 90 THR HG2% A 91 ASN HD2x 1.0 . 5.50 687 641 A 91 ASN HD2x A 92 ALA HB% 1.0 . 5.50 688 642 A 86 ASN HD2y A 87 ARG H 1.0 . 5.50 689 643 A 86 ASN HD2y A 71 TRP HA 1.0 . 4.19 690 644 A 86 ASN HD2y A 71 TRP HBy 1.0 . 5.50 691 645 A 86 ASN HD2y A 86 ASN HBx 1.0 . 3.70 692 645 A 86 ASN HBy A 86 ASN HD2y 1.0 . 3.70 693 646 A 86 ASN HD2x A 86 ASN HBx 1.0 . 3.98 694 646 A 86 ASN HBy A 86 ASN HD2x 1.0 . 3.98 695 647 A 86 ASN H A 86 ASN HD2x 1.0 . 5.50 696 648 A 87 ARG H A 86 ASN HD2x 1.0 . 5.50 697 649 A 71 TRP HA A 86 ASN HD2x 1.0 . 4.56 698 650 A 85 ILE HA A 86 ASN HD2x 1.0 . 5.50 699 651 A 20 PRO HA A 22 GLY H 1.0 . 5.44 700 652 A 22 GLY H A 21 SER HBx 1.0 . 3.07 701 652 A 22 GLY H A 21 SER HBy 1.0 . 3.07 702 653 A 20 PRO HBy A 22 GLY H 1.0 . 5.05 703 654 A 22 GLY H A 20 PRO HBx 1.0 . 4.95 704 655 A 22 GLY H A 28 LEU HDx% 1.0 . 4.86 705 656 A 23 LEU HBx A 22 GLY H 1.0 . 5.50 706 657 A 9 GLY H A 7 PRO HA 1.0 . 5.17 707 658 A 9 GLY H A 10 LEU HDx% 1.0 . 5.50 708 659 A 9 GLY H A 7 PRO HBx 1.0 . 5.50 709 660 A 10 LEU HG A 9 GLY H 1.0 . 5.50 710 661 A 45 LYS H A 46 SER H 1.0 . 3.29 711 662 A 47 PHE HD% A 46 SER H 1.0 . 5.34 712 663 A 44 TYR HA A 46 SER H 1.0 . 4.12 713 664 A 46 SER HBx A 46 SER H 1.0 . 3.83 714 665 A 44 TYR HBy A 46 SER H 1.0 . 3.94 715 666 A 45 LYS HBx A 46 SER H 1.0 . 4.34 716 667 A 45 LYS HGx A 46 SER H 1.0 . 4.67 717 668 A 102 ALA HB% A 46 SER H 1.0 . 5.50 718 669 A 84 ILE HG2% A 35 GLY H 1.0 . 5.39 719 670 A 85 ILE H A 35 GLY H 1.0 . 3.57 720 671 A 34 GLY H A 35 GLY H 1.0 . 4.32 721 672 A 34 GLY HAy A 35 GLY H 1.0 . 3.25 722 673 A 34 GLY HAx A 35 GLY H 1.0 . 3.44 723 674 A 56 GLY H A 53 LYS HGx 1.0 . 5.25 724 674 A 53 LYS HGy A 56 GLY H 1.0 . 5.25 725 675 A 55 GLU H A 56 GLY H 1.0 . 3.97 726 676 A 56 GLY H A 55 GLU HBy 1.0 . 4.31 727 677 A 56 GLY H A 57 LYS HGx 1.0 . 5.36 728 677 A 57 LYS HGy A 56 GLY H 1.0 . 5.36 729 678 A 34 GLY H A 31 GLU H 1.0 . 5.24 730 679 A 34 GLY H A 113 GLN HE2x 1.0 . 3.90 731 680 A 30 VAL HGy% A 34 GLY H 1.0 . 5.50 732 681 A 25 ASN H A 26 GLY H 1.0 . 4.44 733 682 A 23 LEU HG A 26 GLY H 1.0 . 4.53 734 683 A 26 GLY H A 23 LEU HDy% 1.0 . 5.24 735 684 A 28 LEU HDy% A 26 GLY H 1.0 . 4.81 736 685 A 103 GLY HAx A 104 ASN HA 1.0 . 4.98 737 686 A 69 GLY H A 70 GLY HAx 1.0 . 5.28 738 687 A 69 GLY H A 70 GLY HAy 1.0 . 5.35 739 688 A 70 GLY HAy A 71 TRP HA 1.0 . 5.45 740 689 A 109 PHE HD% A 26 GLY HAx 1.0 . 4.54 741 690 A 28 LEU HDy% A 26 GLY HAx 1.0 . 4.58 742 691 A 23 LEU HG A 26 GLY HAx 1.0 . 4.96 743 692 A 23 LEU HDy% A 26 GLY HAx 1.0 . 4.86 744 693 A 109 PHE HD% A 26 GLY HAy 1.0 . 4.30 745 694 A 26 GLY HAy A 109 PHE HA 1.0 . 5.22 746 695 A 110 LYS H A 26 GLY HAy 1.0 . 5.08 747 696 A 28 LEU HBy A 111 PHE H 1.0 . 5.50 748 697 A 28 LEU HBy A 27 GLU HA 1.0 . 4.97 749 698 A 111 PHE HD% A 28 LEU HBy 1.0 . 4.33 750 699 A 28 LEU HBy A 29 LYS H 1.0 . 5.00 751 700 A 28 LEU HBy A 111 PHE HE% 1.0 . 5.20 752 701 A 111 PHE HA A 28 LEU HBy 1.0 . 4.46 753 702 A 28 LEU HBx A 111 PHE HE% 1.0 . 5.50 754 703 A 72 TYR HA A 73 LEU HBy 1.0 . 5.50 755 704 A 84 ILE H A 73 LEU HBy 1.0 . 4.36 756 705 A 73 LEU H A 73 LEU HBy 1.0 . 3.69 757 706 A 73 LEU HDx% A 73 LEU HBy 1.0 . 3.41 758 707 A 73 LEU HBy A 68 ASP HA 1.0 . 5.27 759 708 A 73 LEU HBy A 68 ASP HBy 1.0 . 5.50 760 709 A 84 ILE H A 73 LEU HBx 1.0 . 4.64 761 710 A 73 LEU H A 73 LEU HBx 1.0 . 3.76 762 711 A 73 LEU HBx A 84 ILE HB 1.0 . 3.42 763 712 A 73 LEU HDx% A 73 LEU HBx 1.0 . 3.45 764 713 A 28 LEU HBx A 23 LEU HA 1.0 . 5.04 765 714 A 111 PHE HA A 28 LEU HBx 1.0 . 4.79 766 715 A 9 GLY HAx A 10 LEU HDy% 1.0 . 5.50 767 716 A 6 ASP HBy A 9 GLY HAy 1.0 . 5.07 768 717 A 8 ASP H A 9 GLY HAx 1.0 . 5.01 769 718 A 109 PHE HE% A 107 ASP HBy 1.0 . 5.16 770 719 A 107 ASP HBy A 108 GLU H 1.0 . 4.64 771 720 A 109 PHE HE% A 107 ASP HBx 1.0 . 5.11 772 721 A 107 ASP HBx A 100 VAL HGy% 1.0 . 4.30 773 722 A 36 SER HA A 35 GLY HAy 1.0 . 4.98 774 723 A 36 SER H A 35 GLY HAy 1.0 . 2.99 775 724 A 30 VAL HGx% A 35 GLY HAy 1.0 . 5.09 776 725 A 34 GLY HAx A 35 GLY HAy 1.0 . 5.16 777 726 A 56 GLY HAy A 53 LYS HGx 1.0 . 5.32 778 726 A 53 LYS HGy A 56 GLY HAy 1.0 . 5.32 779 727 A 56 GLY HAy A 53 LYS HDx 1.0 . 5.14 780 727 A 53 LYS HDy A 56 GLY HAy 1.0 . 5.14 781 728 A 35 GLY HAx A 36 SER H 1.0 . 2.91 782 729 A 35 GLY HAx A 36 SER HA 1.0 . 4.95 783 730 A 84 ILE HG2% A 35 GLY HAx 1.0 . 5.50 784 731 A 35 GLY HAx A 30 VAL HGx% 1.0 . 5.07 785 732 A 56 GLY HAx A 53 LYS HGx 1.0 . 5.30 786 732 A 53 LYS HGy A 56 GLY HAx 1.0 . 5.30 787 733 A 37 SER HA A 38 LEU HBy 1.0 . 4.56 788 734 A 56 GLY HAy A 57 LYS HGx 1.0 . 4.97 789 734 A 57 LYS HGy A 56 GLY HAy 1.0 . 4.97 790 735 A 56 GLY HAx A 53 LYS HBx 1.0 . 5.50 791 735 A 53 LYS HBy A 56 GLY HAx 1.0 . 5.50 792 736 A 56 GLY HAx A 53 LYS HEy 1.0 . 4.98 793 737 A 55 GLU H A 56 GLY HAx 1.0 . 5.35 794 738 A 39 PHE H A 38 LEU HBy 1.0 . 4.16 795 739 A 38 LEU H A 38 LEU HBy 1.0 . 3.49 796 740 A 38 LEU HDx% A 38 LEU HBy 1.0 . 3.70 797 741 A 39 PHE H A 38 LEU HBx 1.0 . 4.19 798 742 A 37 SER HA A 38 LEU HBx 1.0 . 4.50 799 743 A 38 LEU HBx A 38 LEU HDx% 1.0 . 3.67 800 744 A 81 LEU HBy A 100 VAL HGx% 1.0 . 5.18 801 745 A 39 PHE HD% A 81 LEU HBy 1.0 . 4.74 802 746 A 81 LEU HBy A 47 PHE HZ 1.0 . 4.58 803 747 A 81 LEU H A 81 LEU HBx 1.0 . 4.16 804 748 A 39 PHE HD% A 81 LEU HBx 1.0 . 5.50 805 749 A 39 PHE HBy A 81 LEU HBx 1.0 . 4.38 806 750 A 100 VAL HGx% A 81 LEU HBx 1.0 . 4.85 807 751 A 21 SER H A 22 GLY HAy 1.0 . 5.50 808 752 A 28 LEU HDx% A 22 GLY HAy 1.0 . 5.50 809 753 A 28 LEU HDx% A 22 GLY HAx 1.0 . 4.28 810 754 A 87 ARG HBy A 87 ARG HDy 1.0 . 3.84 811 755 A 88 ASN H A 87 ARG HDx 1.0 . 4.90 812 756 A 87 ARG H A 87 ARG HDx 1.0 . 4.50 813 757 A 69 GLY HAy A 68 ASP HA 1.0 . 4.58 814 758 A 88 ASN HA A 87 ARG HDy 1.0 . 4.27 815 759 A 88 ASN H A 87 ARG HDy 1.0 . 4.89 816 760 A 34 GLY HAx A 33 GLU H 1.0 . 4.21 817 761 A 88 ASN HA A 87 ARG HDx 1.0 . 4.40 818 762 A 87 ARG HDx A 87 ARG HA 1.0 . 4.08 819 763 A 87 ARG HBy A 87 ARG HDx 1.0 . 3.84 820 764 A 69 GLY HAx A 68 ASP HA 1.0 . 4.47 821 765 A 69 GLY HAx A 67 PHE HE% 1.0 . 4.10 822 766 A 34 GLY HAy A 33 GLU H 1.0 . 5.31 823 767 A 34 GLY HAy A 113 GLN HE2x 1.0 . 4.40 824 768 A 34 GLY HAy A 30 VAL HGx% 1.0 . 4.43 825 769 A 34 GLY HAy A 35 GLY HAx 1.0 . 4.50 826 770 A 85 ILE HB A 34 GLY HAy 1.0 . 5.15 827 771 A 34 GLY HAx A 113 GLN HE2x 1.0 . 4.23 828 772 A 94 ARG HBx A 94 ARG HDx 1.0 . 3.93 829 772 A 94 ARG HBy A 94 ARG HDx 1.0 . 3.93 830 772 A 94 ARG HDy A 94 ARG HBx 1.0 . 3.93 831 772 A 94 ARG HBy A 94 ARG HDy 1.0 . 3.93 832 773 A 110 LYS HA A 109 PHE HBx 1.0 . 5.38 833 774 A 109 PHE HBy A 28 LEU HDy% 1.0 . 5.50 834 775 A 98 VAL HGx% A 109 PHE HBy 1.0 . 5.50 835 776 A 107 ASP H A 106 PHE HBx 1.0 . 3.49 836 776 A 107 ASP H A 106 PHE HBy 1.0 . 3.49 837 777 A 106 PHE H A 106 PHE HBx 1.0 . 3.73 838 777 A 106 PHE H A 106 PHE HBy 1.0 . 3.73 839 778 A 109 PHE HBy A 109 PHE H 1.0 . 4.01 840 779 A 109 PHE HBy A 111 PHE HE% 1.0 . 4.31 841 780 A 109 PHE HBx A 111 PHE HE% 1.0 . 4.34 842 781 A 67 PHE HBy A 49 ILE HD1% 1.0 . 4.96 843 782 A 67 PHE HBy A 49 ILE HG1x 1.0 . 4.09 844 783 A 67 PHE HBy A 74 VAL H 1.0 . 5.50 845 784 A 68 ASP H A 67 PHE HBx 1.0 . 5.34 846 785 A 74 VAL H A 67 PHE HBx 1.0 . 5.01 847 786 A 23 LEU HBx A 20 PRO HDy 1.0 . 4.82 848 787 A 22 GLY H A 23 LEU HBy 1.0 . 5.27 849 788 A 23 LEU HBy A 23 LEU HDx% 1.0 . 4.09 850 789 A 24 LYS H A 23 LEU HBy 1.0 . 4.81 851 790 A 39 PHE HE% A 23 LEU HBy 1.0 . 5.47 852 791 A 23 LEU HBx A 23 LEU HDy% 1.0 . 3.90 853 792 A 10 LEU H A 10 LEU HBy 1.0 . 3.49 854 793 A 10 LEU H A 10 LEU HBx 1.0 . 3.44 855 794 A 67 PHE HE% A 59 LYS HEy 1.0 . 4.46 856 795 A 59 LYS HBy A 59 LYS HEy 1.0 . 3.40 857 796 A 59 LYS HEy A 59 LYS HGy 1.0 . 3.62 858 796 A 59 LYS HEy A 59 LYS HGx 1.0 . 3.62 859 797 A 60 GLU H A 59 LYS HEy 1.0 . 4.69 860 798 A 52 VAL HGx% A 59 LYS HEy 1.0 . 5.35 861 799 A 67 PHE HE% A 59 LYS HEx 1.0 . 4.46 862 800 A 38 LEU HA A 82 LYS HEx 1.0 . 5.29 863 800 A 82 LYS HEy A 38 LEU HA 1.0 . 5.29 864 801 A 18 LYS HA A 18 LYS HEx 1.0 . 2.67 865 801 A 18 LYS HA A 18 LYS HEy 1.0 . 2.67 866 802 A 80 GLU HBy A 82 LYS HEx 1.0 . 4.32 867 802 A 82 LYS HEy A 80 GLU HBy 1.0 . 4.32 868 803 A 32 ALA H A 114 ASP HBy 1.0 . 3.83 869 804 A 77 GLU H A 82 LYS HEx 1.0 . 4.69 870 804 A 82 LYS HEy A 77 GLU H 1.0 . 4.69 871 805 A 114 ASP H A 114 ASP HBy 1.0 . 3.57 872 806 A 115 ALA H A 114 ASP HBy 1.0 . 3.47 873 807 A 32 ALA H A 114 ASP HBx 1.0 . 3.63 874 808 A 114 ASP H A 114 ASP HBx 1.0 . 3.34 875 809 A 115 ALA H A 114 ASP HBx 1.0 . 3.85 876 810 A 114 ASP HBx A 113 GLN HA 1.0 . 4.30 877 811 A 32 ALA HA A 114 ASP HBx 1.0 . 5.13 878 812 A 57 LYS H A 57 LYS HEx 1.0 . 4.87 879 812 A 57 LYS HEy A 57 LYS H 1.0 . 4.87 880 813 A 57 LYS HDx A 57 LYS HEx 1.0 . 2.83 881 813 A 57 LYS HDy A 57 LYS HEx 1.0 . 2.83 882 813 A 57 LYS HEy A 57 LYS HDx 1.0 . 2.83 883 813 A 57 LYS HEy A 57 LYS HDy 1.0 . 2.83 884 814 A 57 LYS HEx A 57 LYS HGx 1.0 . 3.04 885 814 A 57 LYS HEy A 57 LYS HGx 1.0 . 3.04 886 814 A 57 LYS HGy A 57 LYS HEx 1.0 . 3.04 887 814 A 57 LYS HEy A 57 LYS HGy 1.0 . 3.04 888 815 A 117 LYS HEx A 117 LYS HGx 1.0 . 3.42 889 815 A 117 LYS HEy A 117 LYS HGx 1.0 . 3.42 890 815 A 117 LYS HGy A 117 LYS HEx 1.0 . 3.42 891 815 A 117 LYS HGy A 117 LYS HEy 1.0 . 3.42 892 816 A 45 LYS HGx A 45 LYS HEx 1.0 . 3.09 893 816 A 45 LYS HGx A 45 LYS HEy 1.0 . 3.09 894 817 A 73 LEU HDx% A 75 LYS HEx 1.0 . 3.58 895 817 A 73 LEU HDx% A 75 LYS HEy 1.0 . 3.58 896 818 A 84 ILE H A 75 LYS HEx 1.0 . 4.67 897 818 A 84 ILE H A 75 LYS HEy 1.0 . 4.67 898 819 A 43 ASN HBy A 15 LYS HEx 1.0 . 3.47 899 819 A 43 ASN HBy A 15 LYS HEy 1.0 . 3.47 900 820 A 15 LYS HDx A 15 LYS HEx 1.0 . 2.70 901 820 A 15 LYS HDy A 15 LYS HEx 1.0 . 2.70 902 820 A 15 LYS HEy A 15 LYS HDx 1.0 . 2.70 903 820 A 15 LYS HDy A 15 LYS HEy 1.0 . 2.70 904 821 A 15 LYS HEy A 15 LYS HGx 1.0 . 2.73 905 821 A 15 LYS HEx A 15 LYS HGx 1.0 . 2.73 906 821 A 15 LYS HGy A 15 LYS HEx 1.0 . 2.73 907 821 A 15 LYS HGy A 15 LYS HEy 1.0 . 2.73 908 822 A 15 LYS H A 15 LYS HEx 1.0 . 5.26 909 822 A 15 LYS H A 15 LYS HEy 1.0 . 5.26 910 823 A 29 LYS HDy A 29 LYS HEx 1.0 . 2.47 911 823 A 29 LYS HDx A 29 LYS HEx 1.0 . 2.47 912 823 A 29 LYS HEy A 29 LYS HDx 1.0 . 2.47 913 823 A 29 LYS HDy A 29 LYS HEy 1.0 . 2.47 914 824 A 112 VAL HGx% A 29 LYS HEx 1.0 . 4.02 915 824 A 29 LYS HEy A 112 VAL HGx% 1.0 . 4.02 916 825 A 19 VAL HGx% A 39 PHE HBx 1.0 . 5.17 917 826 A 39 PHE H A 39 PHE HBy 1.0 . 4.00 918 827 A 39 PHE HBy A 16 TRP HE3 1.0 . 4.94 919 828 A 81 LEU HBy A 39 PHE HBy 1.0 . 3.98 920 829 A 39 PHE H A 39 PHE HBx 1.0 . 3.91 921 830 A 39 PHE HBx A 81 LEU HBx 1.0 . 5.42 922 831 A 81 LEU HDy% A 39 PHE HBx 1.0 . 4.82 923 832 A 58 PHE HD% A 53 LYS HEy 1.0 . 4.50 924 832 A 53 LYS HEy A 58 PHE HE% 1.0 . 4.50 925 833 A 53 LYS HEy A 53 LYS HBx 1.0 . 4.26 926 833 A 53 LYS HBy A 53 LYS HEy 1.0 . 4.26 927 834 A 97 THR HG2% A 53 LYS HEy 1.0 . 5.42 928 835 A 53 LYS HEy A 53 LYS HGx 1.0 . 3.77 929 835 A 53 LYS HGy A 53 LYS HEy 1.0 . 3.77 930 836 A 96 PHE HBy A 52 VAL HGx% 1.0 . 5.49 931 837 A 6 ASP HBy A 9 GLY H 1.0 . 4.20 932 838 A 9 GLY H A 8 ASP HBx 1.0 . 4.56 933 839 A 6 ASP HBx A 7 PRO HDx 1.0 . 4.10 934 839 A 6 ASP HBx A 7 PRO HDy 1.0 . 4.10 935 840 A 73 LEU H A 72 TYR HBy 1.0 . 4.39 936 841 A 72 TYR HBy A 85 ILE HA 1.0 . 4.77 937 842 A 85 ILE HB A 34 GLY HAx 1.0 . 4.59 938 843 A 111 PHE HBy A 112 VAL HGy% 1.0 . 5.50 939 844 A 72 TYR HBy A 71 TRP HE3 1.0 . 4.98 940 845 A 85 ILE HB A 83 VAL HGy% 1.0 . 4.82 941 846 A 85 ILE HB A 35 GLY H 1.0 . 3.52 942 847 A 85 ILE HB A 85 ILE H 1.0 . 3.35 943 848 A 68 ASP H A 68 ASP HBy 1.0 . 3.39 944 849 A 73 LEU HDx% A 68 ASP HBy 1.0 . 4.44 945 850 A 111 PHE H A 111 PHE HBy 1.0 . 3.85 946 851 A 111 PHE HBy A 72 TYR HE% 1.0 . 5.50 947 852 A 68 ASP HBx A 73 LEU HDx% 1.0 . 4.15 948 853 A 85 ILE HB A 71 TRP HZ3 1.0 . 5.50 949 854 A 84 ILE H A 84 ILE HB 1.0 . 3.43 950 855 A 83 VAL HA A 84 ILE HB 1.0 . 4.92 951 856 A 12 ASP HBy A 13 PRO HDx 1.0 . 4.06 952 857 A 12 ASP HBx A 11 ALA HB% 1.0 . 5.27 953 858 A 44 TYR HE% A 12 ASP HBx 1.0 . 5.28 954 859 A 44 TYR HE% A 12 ASP HBy 1.0 . 5.07 955 860 A 12 ASP H A 12 ASP HBy 1.0 . 3.32 956 861 A 12 ASP HBy A 13 PRO HDy 1.0 . 4.20 957 862 A 12 ASP HBx A 11 ALA HA 1.0 . 4.45 958 863 A 12 ASP HBx A 13 PRO HDx 1.0 . 4.04 959 864 A 105 ALA HB% A 12 ASP HBx 1.0 . 5.50 960 865 A 76 ILE HB A 65 LYS HA 1.0 . 3.73 961 866 A 76 ILE HB A 65 LYS HBy 1.0 . 4.08 962 867 A 76 ILE HB A 76 ILE HD1% 1.0 . 3.78 963 868 A 15 LYS H A 44 TYR HBx 1.0 . 5.50 964 869 A 102 ALA HB% A 44 TYR HBx 1.0 . 4.84 965 870 A 44 TYR HBx A 14 MET HE% 1.0 . 4.98 966 871 A 47 PHE HBx A 102 ALA HA 1.0 . 4.98 967 872 A 47 PHE HBx A 14 MET HE% 1.0 . 4.80 968 873 A 86 ASN HBy A 71 TRP HBy 1.0 . 5.45 969 874 A 76 ILE HD1% A 47 PHE HBx 1.0 . 5.50 970 875 A 58 PHE HBy A 58 PHE H 1.0 . 3.63 971 876 A 86 ASN H A 86 ASN HBy 1.0 . 3.61 972 877 A 86 ASN HBy A 86 ASN HD2y 1.0 . 3.99 973 878 A 86 ASN HBy A 87 ARG H 1.0 . 3.69 974 879 A 85 ILE HA A 86 ASN HBx 1.0 . 5.35 975 880 A 87 ARG H A 86 ASN HBx 1.0 . 3.55 976 881 A 86 ASN H A 86 ASN HBx 1.0 . 3.74 977 882 A 86 ASN HD2y A 86 ASN HBx 1.0 . 4.00 978 883 A 58 PHE HBx A 58 PHE H 1.0 . 3.26 979 884 A 78 ASP H A 78 ASP HBx 1.0 . 3.83 980 884 A 78 ASP H A 78 ASP HBy 1.0 . 3.83 981 885 A 79 ASN H A 78 ASP HBx 1.0 . 2.70 982 885 A 79 ASN H A 78 ASP HBy 1.0 . 2.70 983 886 A 79 ASN HD2x A 78 ASP HBx 1.0 . 5.50 984 886 A 78 ASP HBy A 79 ASN HD2x 1.0 . 5.50 985 887 A 77 GLU HBx A 78 ASP HBx 1.0 . 4.93 986 887 A 77 GLU HBx A 78 ASP HBy 1.0 . 4.93 987 888 A 64 TYR HBy A 48 TRP HA 1.0 . 5.02 988 889 A 65 LYS HGx A 64 TYR HBy 1.0 . 5.28 989 890 A 64 TYR HBy A 48 TRP HD1 1.0 . 5.07 990 891 A 49 ILE H A 64 TYR HBy 1.0 . 4.79 991 892 A 104 ASN HBy A 104 ASN HD2y 1.0 . 3.88 992 893 A 105 ALA HB% A 104 ASN HBx 1.0 . 5.50 993 894 A 105 ALA H A 104 ASN HBx 1.0 . 4.39 994 895 A 49 ILE HB A 49 ILE H 1.0 . 3.48 995 896 A 49 ILE HB A 48 TRP HA 1.0 . 4.94 996 897 A 104 ASN H A 104 ASN HBx 1.0 . 3.45 997 898 A 104 ASN HBx A 104 ASN HD2x 1.0 . 4.01 998 899 A 61 ASN HBx A 62 THR HA 1.0 . 5.19 999 900 A 67 PHE HBy A 49 ILE HB 1.0 . 5.34 1000 901 A 61 ASN HBy A 60 GLU HA 1.0 . 4.91 1001 902 A 61 ASN H A 61 ASN HBy 1.0 . 3.68 1002 903 A 61 ASN HD2y A 61 ASN HBy 1.0 . 3.49 1003 904 A 49 ILE HG2% A 61 ASN HBy 1.0 . 5.36 1004 905 A 63 SER H A 61 ASN HBy 1.0 . 4.98 1005 906 A 63 SER H A 61 ASN HBx 1.0 . 4.95 1006 907 A 61 ASN HBx A 49 ILE HG2% 1.0 . 5.50 1007 908 A 92 ALA H A 91 ASN HBy 1.0 . 5.44 1008 909 A 91 ASN HD2y A 91 ASN HBy 1.0 . 3.80 1009 910 A 115 ALA HB% A 91 ASN HBy 1.0 . 4.90 1010 911 A 91 ASN H A 91 ASN HBy 1.0 . 3.58 1011 912 A 90 THR HG2% A 91 ASN HBy 1.0 . 5.50 1012 913 A 91 ASN H A 91 ASN HBx 1.0 . 3.64 1013 914 A 79 ASN HBy A 79 ASN HD2x 1.0 . 4.07 1014 915 A 79 ASN HD2y A 79 ASN HBy 1.0 . 3.93 1015 916 A 41 CYS H A 79 ASN HBy 1.0 . 4.47 1016 917 A 116 ALA H A 91 ASN HBy 1.0 . 5.33 1017 918 A 92 ALA H A 91 ASN HBx 1.0 . 4.86 1018 919 A 115 ALA HB% A 91 ASN HBx 1.0 . 4.90 1019 920 A 41 CYS H A 79 ASN HBx 1.0 . 4.81 1020 921 A 24 LYS HBy A 25 ASN HBx 1.0 . 5.36 1021 922 A 26 GLY H A 25 ASN HBy 1.0 . 4.83 1022 923 A 25 ASN HBy A 25 ASN HD2y 1.0 . 3.78 1023 924 A 26 GLY H A 25 ASN HBx 1.0 . 4.72 1024 925 A 116 ALA HB% A 88 ASN HBy 1.0 . 5.12 1025 926 A 88 ASN HBy A 32 ALA HA 1.0 . 4.02 1026 927 A 43 ASN HBy A 43 ASN HD2x 1.0 . 3.87 1027 928 A 43 ASN HBy A 42 LYS HGx 1.0 . 4.75 1028 928 A 43 ASN HBy A 42 LYS HGy 1.0 . 4.75 1029 929 A 88 ASN HBx A 32 ALA HA 1.0 . 4.30 1030 930 A 88 ASN HBx A 32 ALA HB% 1.0 . 4.50 1031 931 A 43 ASN HBx A 15 LYS HBx 1.0 . 4.70 1032 932 A 43 ASN HBx A 43 ASN HD2x 1.0 . 3.79 1033 933 A 30 VAL HGx% A 31 GLU HGx 1.0 . 5.16 1034 934 A 75 LYS HBy A 76 ILE H 1.0 . 3.90 1035 935 A 75 LYS H A 75 LYS HBx 1.0 . 3.75 1036 936 A 76 ILE H A 75 LYS HBx 1.0 . 4.46 1037 937 A 74 VAL HA A 75 LYS HBx 1.0 . 5.22 1038 938 A 82 LYS H A 75 LYS HBx 1.0 . 5.50 1039 939 A 75 LYS HBx A 75 LYS HEx 1.0 . 4.63 1040 939 A 75 LYS HEy A 75 LYS HBx 1.0 . 4.63 1041 940 A 34 GLY H A 31 GLU HGy 1.0 . 5.09 1042 941 A 31 GLU HGy A 30 VAL HGx% 1.0 . 5.49 1043 942 A 38 LEU HDx% A 80 GLU HGy 1.0 . 4.91 1044 943 A 34 GLY H A 31 GLU HGx 1.0 . 4.75 1045 944 A 28 LEU H A 27 GLU HGy 1.0 . 4.07 1046 945 A 27 GLU HA A 27 GLU HGy 1.0 . 3.84 1047 946 A 27 GLU HGy A 110 LYS HBx 1.0 . 3.70 1048 946 A 110 LYS HBy A 27 GLU HGy 1.0 . 3.70 1049 947 A 112 VAL HGy% A 27 GLU HGy 1.0 . 4.40 1050 948 A 110 LYS H A 27 GLU HGy 1.0 . 5.41 1051 949 A 27 GLU HGx A 112 VAL HGy% 1.0 . 4.01 1052 950 A 111 PHE HA A 27 GLU HGx 1.0 . 4.64 1053 951 A 75 LYS HBy A 75 LYS HEx 1.0 . 4.15 1054 951 A 75 LYS HBy A 75 LYS HEy 1.0 . 4.15 1055 952 A 31 GLU HGy A 31 GLU HBx 1.0 . 2.67 1056 953 A 80 GLU HGy A 80 GLU HA 1.0 . 3.96 1057 954 A 31 GLU H A 31 GLU HGx 1.0 . 3.39 1058 955 A 32 ALA H A 31 GLU HGx 1.0 . 3.90 1059 956 A 88 ASN HA A 89 GLU HGy 1.0 . 5.50 1060 957 A 89 GLU H A 89 GLU HGy 1.0 . 3.98 1061 958 A 90 THR H A 89 GLU HGy 1.0 . 5.07 1062 959 A 90 THR HG2% A 89 GLU HGy 1.0 . 4.24 1063 960 A 80 GLU H A 80 GLU HGx 1.0 . 4.18 1064 961 A 80 GLU HGx A 79 ASN HD2x 1.0 . 5.50 1065 962 A 81 LEU H A 80 GLU HGx 1.0 . 4.49 1066 963 A 89 GLU H A 89 GLU HGx 1.0 . 3.92 1067 964 A 90 THR H A 89 GLU HGx 1.0 . 4.88 1068 965 A 90 THR HG2% A 89 GLU HGx 1.0 . 4.56 1069 966 A 38 LEU HDx% A 80 GLU HGx 1.0 . 4.84 1070 967 A 109 PHE H A 108 GLU HGy 1.0 . 4.34 1071 968 A 108 GLU H A 108 GLU HGy 1.0 . 4.73 1072 969 A 108 GLU HA A 108 GLU HGy 1.0 . 4.12 1073 970 A 97 THR HG2% A 108 GLU HGx 1.0 . 4.24 1074 971 A 109 PHE H A 108 GLU HGx 1.0 . 4.41 1075 972 A 108 GLU H A 108 GLU HGx 1.0 . 5.21 1076 973 A 54 GLU HA A 55 GLU HGy 1.0 . 5.50 1077 974 A 55 GLU HGy A 55 GLU HA 1.0 . 3.59 1078 975 A 55 GLU HGy A 57 LYS HEx 1.0 . 4.97 1079 975 A 57 LYS HEy A 55 GLU HGy 1.0 . 4.97 1080 976 A 56 GLY H A 55 GLU HGy 1.0 . 5.10 1081 977 A 33 GLU HBy A 33 GLU HGy 1.0 . 2.97 1082 978 A 108 GLU HGy A 99 CYS HBx 1.0 . 5.06 1083 979 A 53 LYS HEx A 53 LYS HBx 1.0 . 5.24 1084 979 A 53 LYS HBy A 53 LYS HEx 1.0 . 5.24 1085 980 A 78 ASP H A 77 GLU HGy 1.0 . 4.70 1086 981 A 57 LYS H A 53 LYS HBx 1.0 . 4.71 1087 981 A 53 LYS HBy A 57 LYS H 1.0 . 4.71 1088 982 A 97 THR HG2% A 53 LYS HBx 1.0 . 4.70 1089 982 A 97 THR HG2% A 53 LYS HBy 1.0 . 4.70 1090 983 A 97 THR H A 53 LYS HBx 1.0 . 4.18 1091 983 A 97 THR H A 53 LYS HBy 1.0 . 4.18 1092 984 A 53 LYS H A 53 LYS HBx 1.0 . 3.43 1093 984 A 53 LYS H A 53 LYS HBy 1.0 . 3.43 1094 985 A 56 GLY H A 53 LYS HBx 1.0 . 5.50 1095 985 A 53 LYS HBy A 56 GLY H 1.0 . 5.50 1096 986 A 58 PHE HE% A 53 LYS HBx 1.0 . 4.07 1097 986 A 58 PHE HD% A 53 LYS HBx 1.0 . 4.07 1098 986 A 53 LYS HBy A 58 PHE HD% 1.0 . 4.07 1099 986 A 53 LYS HBy A 58 PHE HE% 1.0 . 4.07 1100 987 A 32 ALA HB% A 33 GLU HGy 1.0 . 5.50 1101 988 A 33 GLU H A 33 GLU HGy 1.0 . 3.82 1102 989 A 34 GLY H A 33 GLU HGy 1.0 . 4.52 1103 990 A 34 GLY H A 33 GLU HGx 1.0 . 4.54 1104 991 A 32 ALA HB% A 33 GLU HGx 1.0 . 5.50 1105 992 A 33 GLU H A 33 GLU HGx 1.0 . 3.74 1106 993 A 60 GLU HBy A 60 GLU HGy 1.0 . 2.91 1107 994 A 60 GLU H A 60 GLU HGy 1.0 . 4.16 1108 995 A 60 GLU HA A 60 GLU HGy 1.0 . 3.71 1109 996 A 60 GLU H A 60 GLU HGx 1.0 . 3.83 1110 997 A 60 GLU HGx A 59 LYS HA 1.0 . 4.74 1111 998 A 76 ILE HA A 77 GLU HGy 1.0 . 5.42 1112 999 A 77 GLU HA A 77 GLU HGy 1.0 . 3.67 1113 1000 A 77 GLU HGy A 75 LYS HGx 1.0 . 4.63 1114 1000 A 75 LYS HGy A 77 GLU HGy 1.0 . 4.63 1115 1001 A 77 GLU H A 77 GLU HGy 1.0 . 4.37 1116 1002 A 77 GLU HA A 77 GLU HGx 1.0 . 3.65 1117 1003 A 77 GLU HGx A 82 LYS HEx 1.0 . 5.20 1118 1003 A 82 LYS HEy A 77 GLU HGx 1.0 . 5.20 1119 1004 A 77 GLU H A 77 GLU HGx 1.0 . 4.35 1120 1005 A 60 GLU HBy A 60 GLU HGx 1.0 . 2.79 1121 1006 A 66 GLU HGy A 75 LYS HGx 1.0 . 4.11 1122 1006 A 75 LYS HGy A 66 GLU HGy 1.0 . 4.11 1123 1007 A 66 GLU H A 66 GLU HGy 1.0 . 4.37 1124 1008 A 66 GLU HA A 66 GLU HGy 1.0 . 3.86 1125 1009 A 67 PHE H A 66 GLU HGy 1.0 . 4.09 1126 1010 A 66 GLU HGx A 75 LYS HGx 1.0 . 4.47 1127 1010 A 75 LYS HGy A 66 GLU HGx 1.0 . 4.47 1128 1011 A 67 PHE H A 66 GLU HGx 1.0 . 4.23 1129 1012 A 66 GLU HA A 66 GLU HGx 1.0 . 3.91 1130 1013 A 66 GLU HGx A 67 PHE HA 1.0 . 5.50 1131 1014 A 66 GLU HGx A 75 LYS HEx 1.0 . 5.42 1132 1014 A 75 LYS HEy A 66 GLU HGx 1.0 . 5.42 1133 1015 A 73 LEU HDx% A 66 GLU HGx 1.0 . 4.30 1134 1016 A 98 VAL HB A 109 PHE H 1.0 . 4.67 1135 1017 A 18 LYS HA A 18 LYS HBx 1.0 . 2.95 1136 1017 A 18 LYS HA A 18 LYS HBy 1.0 . 2.95 1137 1018 A 111 PHE H A 110 LYS HBx 1.0 . 4.19 1138 1018 A 111 PHE H A 110 LYS HBy 1.0 . 4.19 1139 1019 A 28 LEU H A 110 LYS HBx 1.0 . 4.57 1140 1019 A 28 LEU H A 110 LYS HBy 1.0 . 4.57 1141 1020 A 110 LYS HBy A 110 LYS HEy 1.0 . 4.80 1142 1020 A 110 LYS HBx A 110 LYS HEy 1.0 . 4.80 1143 1020 A 110 LYS HEx A 110 LYS HBx 1.0 . 4.80 1144 1020 A 110 LYS HBy A 110 LYS HEx 1.0 . 4.80 1145 1021 A 27 GLU HGx A 110 LYS HBx 1.0 . 3.53 1146 1021 A 27 GLU HGx A 110 LYS HBy 1.0 . 3.53 1147 1022 A 81 LEU HDy% A 98 VAL HB 1.0 . 5.50 1148 1023 A 99 CYS H A 98 VAL HB 1.0 . 4.66 1149 1024 A 109 PHE HD% A 98 VAL HB 1.0 . 4.29 1150 1025 A 39 PHE HA A 18 LYS HBx 1.0 . 4.93 1151 1025 A 18 LYS HBy A 39 PHE HA 1.0 . 4.93 1152 1026 A 40 ALA H A 18 LYS HBx 1.0 . 3.38 1153 1026 A 40 ALA H A 18 LYS HBy 1.0 . 3.38 1154 1027 A 18 LYS H A 18 LYS HBx 1.0 . 3.40 1155 1027 A 18 LYS H A 18 LYS HBy 1.0 . 3.40 1156 1028 A 38 LEU HG A 18 LYS HBx 1.0 . 2.83 1157 1028 A 18 LYS HBy A 38 LEU HG 1.0 . 2.83 1158 1029 A 38 LEU HDx% A 18 LYS HBx 1.0 . 4.73 1159 1029 A 38 LEU HDx% A 18 LYS HBy 1.0 . 4.73 1160 1030 A 100 VAL HB A 101 GLU H 1.0 . 3.70 1161 1031 A 100 VAL HB A 47 PHE HBx 1.0 . 4.89 1162 1032 A 100 VAL HB A 47 PHE HE% 1.0 . 5.03 1163 1033 A 100 VAL HB A 49 ILE HA 1.0 . 4.94 1164 1034 A 42 LYS H A 15 LYS HBy 1.0 . 5.14 1165 1035 A 15 LYS H A 15 LYS HBy 1.0 . 4.05 1166 1036 A 15 LYS HBy A 15 LYS HEx 1.0 . 4.51 1167 1036 A 15 LYS HEy A 15 LYS HBy 1.0 . 4.51 1168 1037 A 15 LYS HBx A 15 LYS HEx 1.0 . 5.23 1169 1037 A 15 LYS HEy A 15 LYS HBx 1.0 . 5.23 1170 1038 A 15 LYS H A 15 LYS HBx 1.0 . 3.89 1171 1039 A 52 VAL HB A 52 VAL H 1.0 . 3.59 1172 1040 A 52 VAL HB A 67 PHE HE% 1.0 . 5.50 1173 1041 A 16 TRP H A 15 LYS HBy 1.0 . 3.82 1174 1042 A 14 MET HA A 15 LYS HBx 1.0 . 5.25 1175 1043 A 16 TRP H A 15 LYS HBx 1.0 . 4.24 1176 1044 A 52 VAL HB A 51 SER HA 1.0 . 5.20 1177 1045 A 58 PHE H A 57 LYS HBy 1.0 . 3.71 1178 1046 A 57 LYS H A 57 LYS HBy 1.0 . 3.59 1179 1047 A 82 LYS HBy A 82 LYS HEx 1.0 . 5.06 1180 1047 A 82 LYS HBx A 82 LYS HEx 1.0 . 5.06 1181 1047 A 82 LYS HEy A 82 LYS HBx 1.0 . 5.06 1182 1047 A 82 LYS HEy A 82 LYS HBy 1.0 . 5.06 1183 1048 A 82 LYS HGy A 82 LYS HBx 1.0 . 2.86 1184 1048 A 82 LYS HBy A 82 LYS HGy 1.0 . 2.86 1185 1049 A 82 LYS H A 82 LYS HBx 1.0 . 3.35 1186 1049 A 82 LYS H A 82 LYS HBy 1.0 . 3.35 1187 1050 A 42 LYS H A 42 LYS HBy 1.0 . 3.79 1188 1051 A 17 SER HBx A 42 LYS HBy 1.0 . 4.12 1189 1052 A 30 VAL HB A 114 ASP H 1.0 . 3.93 1190 1053 A 30 VAL HB A 113 GLN HA 1.0 . 3.41 1191 1054 A 30 VAL HB A 29 LYS HA 1.0 . 4.68 1192 1055 A 42 LYS HBx A 42 LYS HEx 1.0 . 5.50 1193 1055 A 42 LYS HBx A 42 LYS HEy 1.0 . 5.50 1194 1056 A 16 TRP HA A 42 LYS HBx 1.0 . 5.32 1195 1057 A 58 PHE H A 57 LYS HBx 1.0 . 3.08 1196 1058 A 42 LYS HBy A 42 LYS HGx 1.0 . 2.95 1197 1058 A 42 LYS HBy A 42 LYS HGy 1.0 . 2.95 1198 1059 A 24 LYS H A 24 LYS HBx 1.0 . 3.70 1199 1060 A 17 SER HBx A 42 LYS HBx 1.0 . 4.55 1200 1061 A 42 LYS H A 42 LYS HBx 1.0 . 3.71 1201 1062 A 17 SER H A 42 LYS HBx 1.0 . 4.69 1202 1063 A 43 ASN H A 42 LYS HBx 1.0 . 4.10 1203 1064 A 65 LYS HBx A 66 GLU H 1.0 . 4.38 1204 1065 A 24 LYS HBy A 23 LEU HA 1.0 . 4.73 1205 1066 A 67 PHE HBy A 74 VAL HB 1.0 . 4.05 1206 1067 A 74 VAL HB A 67 PHE H 1.0 . 3.74 1207 1068 A 74 VAL H A 74 VAL HB 1.0 . 3.46 1208 1069 A 74 VAL HB A 67 PHE HBx 1.0 . 3.84 1209 1070 A 74 VAL HB A 49 ILE HD1% 1.0 . 3.24 1210 1071 A 74 VAL HB A 49 ILE HG1x 1.0 . 3.79 1211 1072 A 74 VAL HB A 67 PHE HD% 1.0 . 4.83 1212 1073 A 113 GLN HGy A 88 ASN HD2y 1.0 . 5.16 1213 1074 A 113 GLN HGy A 32 ALA HA 1.0 . 4.38 1214 1075 A 113 GLN HGy A 94 ARG H 1.0 . 5.36 1215 1076 A 118 GLN H A 118 GLN HGx 1.0 . 3.98 1216 1076 A 118 GLN H A 118 GLN HGy 1.0 . 3.98 1217 1077 A 118 GLN HA A 118 GLN HGx 1.0 . 3.69 1218 1077 A 118 GLN HGy A 118 GLN HA 1.0 . 3.69 1219 1078 A 118 GLN HBy A 118 GLN HGx 1.0 . 2.42 1220 1078 A 118 GLN HGy A 118 GLN HBy 1.0 . 2.42 1221 1079 A 48 TRP HE1 A 101 GLU HBy 1.0 . 5.50 1222 1080 A 106 PHE HA A 101 GLU HBy 1.0 . 4.68 1223 1081 A 102 ALA H A 101 GLU HBy 1.0 . 4.46 1224 1082 A 101 GLU HBx A 106 PHE HD% 1.0 . 5.32 1225 1083 A 101 GLU HBx A 100 VAL HA 1.0 . 5.00 1226 1084 A 113 GLN HGy A 30 VAL HGx% 1.0 . 5.33 1227 1085 A 113 GLN H A 113 GLN HGx 1.0 . 5.02 1228 1086 A 100 VAL H A 108 GLU HBx 1.0 . 4.95 1229 1086 A 108 GLU HBy A 100 VAL H 1.0 . 4.95 1230 1087 A 97 THR HB A 53 LYS HDx 1.0 . 5.10 1231 1087 A 97 THR HB A 53 LYS HDy 1.0 . 5.10 1232 1088 A 97 THR HB A 52 VAL HA 1.0 . 4.30 1233 1089 A 97 THR HB A 53 LYS HBx 1.0 . 3.71 1234 1089 A 97 THR HB A 53 LYS HBy 1.0 . 3.71 1235 1090 A 97 THR HB A 53 LYS HGx 1.0 . 4.99 1236 1090 A 97 THR HB A 53 LYS HGy 1.0 . 4.99 1237 1091 A 97 THR HG2% A 108 GLU HBx 1.0 . 4.14 1238 1091 A 108 GLU HBy A 97 THR HG2% 1.0 . 4.14 1239 1092 A 55 GLU H A 54 GLU HBy 1.0 . 5.00 1240 1093 A 54 GLU HBy A 54 GLU H 1.0 . 3.90 1241 1094 A 54 GLU HBx A 54 GLU H 1.0 . 3.85 1242 1095 A 112 VAL H A 112 VAL HB 1.0 . 3.43 1243 1096 A 95 SER HBy A 112 VAL HB 1.0 . 4.49 1244 1097 A 113 GLN H A 112 VAL HB 1.0 . 4.58 1245 1098 A 15 LYS H A 14 MET HGy 1.0 . 5.36 1246 1099 A 13 PRO HA A 14 MET HGy 1.0 . 4.80 1247 1100 A 54 GLU HBx A 55 GLU H 1.0 . 5.19 1248 1101 A 73 LEU HDx% A 66 GLU HBx 1.0 . 4.63 1249 1101 A 73 LEU HDx% A 66 GLU HBy 1.0 . 4.63 1250 1102 A 14 MET H A 14 MET HBx 1.0 . 3.99 1251 1103 A 67 PHE HA A 66 GLU HBx 1.0 . 5.50 1252 1103 A 66 GLU HBy A 67 PHE HA 1.0 . 5.50 1253 1104 A 67 PHE H A 66 GLU HBx 1.0 . 3.74 1254 1104 A 67 PHE H A 66 GLU HBy 1.0 . 3.74 1255 1105 A 68 ASP H A 66 GLU HBx 1.0 . 5.50 1256 1105 A 68 ASP H A 66 GLU HBy 1.0 . 5.50 1257 1106 A 66 GLU HBx A 75 LYS HGx 1.0 . 4.13 1258 1106 A 66 GLU HBy A 75 LYS HGx 1.0 . 4.13 1259 1106 A 75 LYS HGy A 66 GLU HBx 1.0 . 4.13 1260 1106 A 75 LYS HGy A 66 GLU HBy 1.0 . 4.13 1261 1107 A 14 MET HBy A 14 MET H 1.0 . 4.05 1262 1108 A 14 MET HBy A 44 TYR HD% 1.0 . 4.75 1263 1109 A 24 LYS H A 27 GLU HBx 1.0 . 4.21 1264 1110 A 14 MET HGx A 14 MET H 1.0 . 4.34 1265 1111 A 14 MET HGx A 44 TYR HD% 1.0 . 5.50 1266 1112 A 14 MET HBy A 44 TYR HBx 1.0 . 5.13 1267 1113 A 27 GLU H A 27 GLU HBx 1.0 . 3.65 1268 1114 A 28 LEU H A 27 GLU HBx 1.0 . 4.82 1269 1115 A 117 LYS H A 117 LYS HBy 1.0 . 3.20 1270 1116 A 118 GLN H A 117 LYS HBy 1.0 . 4.48 1271 1117 A 116 ALA HB% A 117 LYS HBx 1.0 . 5.15 1272 1118 A 14 MET HGx A 13 PRO HA 1.0 . 5.45 1273 1119 A 27 GLU HBy A 26 GLY HAx 1.0 . 5.15 1274 1120 A 118 GLN H A 117 LYS HBx 1.0 . 4.67 1275 1121 A 117 LYS HBx A 116 ALA HA 1.0 . 4.34 1276 1122 A 45 LYS H A 45 LYS HBy 1.0 . 3.64 1277 1123 A 45 LYS HBx A 79 ASN HBx 1.0 . 4.93 1278 1124 A 77 GLU HBy A 82 LYS HEx 1.0 . 4.24 1279 1124 A 82 LYS HEy A 77 GLU HBy 1.0 . 4.24 1280 1125 A 77 GLU HBy A 76 ILE HA 1.0 . 5.00 1281 1126 A 48 TRP HBy A 76 ILE HD1% 1.0 . 5.50 1282 1127 A 64 TYR HD% A 48 TRP HBy 1.0 . 5.04 1283 1128 A 48 TRP HBx A 49 ILE HG1y 1.0 . 5.50 1284 1129 A 49 ILE H A 48 TRP HBx 1.0 . 3.97 1285 1130 A 64 TYR HD% A 48 TRP HBx 1.0 . 5.00 1286 1131 A 76 ILE HD1% A 48 TRP HBx 1.0 . 5.50 1287 1132 A 77 GLU H A 77 GLU HBy 1.0 . 3.86 1288 1133 A 77 GLU H A 77 GLU HBx 1.0 . 3.63 1289 1134 A 59 LYS HBy A 67 PHE HE% 1.0 . 5.46 1290 1135 A 59 LYS H A 59 LYS HBx 1.0 . 3.74 1291 1136 A 58 PHE HA A 59 LYS HBx 1.0 . 5.35 1292 1137 A 80 GLU H A 80 GLU HBx 1.0 . 3.79 1293 1138 A 80 GLU HBx A 82 LYS HEx 1.0 . 4.03 1294 1138 A 82 LYS HEy A 80 GLU HBx 1.0 . 4.03 1295 1139 A 29 LYS HBy A 29 LYS HEx 1.0 . 4.60 1296 1139 A 29 LYS HEy A 29 LYS HBy 1.0 . 4.60 1297 1140 A 112 VAL HGy% A 29 LYS HBy 1.0 . 4.77 1298 1141 A 59 LYS HEy A 59 LYS HBx 1.0 . 4.77 1299 1142 A 14 MET H A 13 PRO HBy 1.0 . 3.70 1300 1143 A 80 GLU HBx A 38 LEU HDy% 1.0 . 4.06 1301 1144 A 81 LEU H A 80 GLU HBx 1.0 . 4.16 1302 1145 A 30 VAL H A 29 LYS HBy 1.0 . 4.19 1303 1146 A 29 LYS H A 29 LYS HBy 1.0 . 3.23 1304 1147 A 14 MET H A 13 PRO HBx 1.0 . 3.90 1305 1148 A 38 LEU H A 20 PRO HBx 1.0 . 5.50 1306 1149 A 39 PHE HE% A 20 PRO HBx 1.0 . 5.18 1307 1150 A 37 SER HBy A 20 PRO HBx 1.0 . 4.33 1308 1151 A 39 PHE HE% A 20 PRO HBy 1.0 . 5.12 1309 1152 A 37 SER HA A 20 PRO HBy 1.0 . 4.54 1310 1153 A 37 SER HBy A 20 PRO HBy 1.0 . 4.18 1311 1154 A 20 PRO HBy A 28 LEU HDx% 1.0 . 4.02 1312 1155 A 37 SER HA A 20 PRO HBx 1.0 . 4.78 1313 1156 A 20 PRO HBx A 28 LEU HDx% 1.0 . 3.81 1314 1157 A 88 ASN H A 87 ARG HBy 1.0 . 4.36 1315 1158 A 86 ASN HA A 87 ARG HBy 1.0 . 4.82 1316 1159 A 113 GLN HBy A 113 GLN HE2x 1.0 . 5.26 1317 1160 A 113 GLN HBy A 114 ASP H 1.0 . 4.94 1318 1161 A 113 GLN HBy A 30 VAL HB 1.0 . 5.17 1319 1162 A 96 PHE HD% A 113 GLN HBy 1.0 . 5.30 1320 1163 A 113 GLN HBy A 94 ARG HGx 1.0 . 4.74 1321 1164 A 96 PHE HD% A 113 GLN HBx 1.0 . 5.06 1322 1165 A 16 TRP HBy A 19 VAL HA 1.0 . 5.48 1323 1166 A 16 TRP HBy A 16 TRP H 1.0 . 3.78 1324 1167 A 16 TRP HBy A 19 VAL HB 1.0 . 5.34 1325 1168 A 16 TRP HBy A 41 CYS HA 1.0 . 5.04 1326 1169 A 15 LYS HA A 16 TRP HBx 1.0 . 4.64 1327 1170 A 31 GLU HBx A 32 ALA HB% 1.0 . 5.50 1328 1171 A 118 GLN H A 118 GLN HBy 1.0 . 3.82 1329 1172 A 118 GLN HBx A 118 GLN HGx 1.0 . 2.79 1330 1172 A 118 GLN HBx A 118 GLN HGy 1.0 . 2.79 1331 1173 A 16 TRP HBy A 39 PHE HD% 1.0 . 5.50 1332 1174 A 31 GLU HBy A 33 GLU H 1.0 . 3.94 1333 1175 A 34 GLY H A 31 GLU HBy 1.0 . 5.09 1334 1176 A 31 GLU HBy A 31 GLU H 1.0 . 3.75 1335 1177 A 31 GLU HBy A 32 ALA HB% 1.0 . 5.28 1336 1178 A 32 ALA H A 31 GLU HBx 1.0 . 3.85 1337 1179 A 31 GLU HBx A 30 VAL HGx% 1.0 . 5.23 1338 1180 A 60 GLU H A 60 GLU HBy 1.0 . 3.74 1339 1181 A 60 GLU HBx A 59 LYS HA 1.0 . 4.57 1340 1182 A 113 GLN H A 95 SER HBy 1.0 . 4.53 1341 1183 A 95 SER HBy A 112 VAL HA 1.0 . 3.94 1342 1184 A 113 GLN H A 95 SER HBx 1.0 . 5.20 1343 1185 A 96 PHE H A 95 SER HBx 1.0 . 4.06 1344 1186 A 112 VAL HA A 95 SER HBx 1.0 . 3.92 1345 1187 A 90 THR H A 89 GLU HBy 1.0 . 4.98 1346 1188 A 90 THR HG2% A 89 GLU HBy 1.0 . 4.53 1347 1189 A 89 GLU H A 89 GLU HBy 1.0 . 3.94 1348 1190 A 89 GLU H A 89 GLU HBx 1.0 . 3.67 1349 1191 A 90 THR H A 89 GLU HBx 1.0 . 4.75 1350 1192 A 110 LYS HA A 110 LYS HDx 1.0 . 3.82 1351 1192 A 110 LYS HA A 110 LYS HDy 1.0 . 3.82 1352 1193 A 27 GLU HA A 110 LYS HDx 1.0 . 5.09 1353 1193 A 27 GLU HA A 110 LYS HDy 1.0 . 5.09 1354 1194 A 34 GLY H A 33 GLU HBy 1.0 . 4.13 1355 1195 A 32 ALA HB% A 33 GLU HBx 1.0 . 4.99 1356 1196 A 33 GLU H A 33 GLU HBx 1.0 . 3.20 1357 1197 A 34 GLY H A 33 GLU HBx 1.0 . 4.17 1358 1198 A 34 GLY HAx A 33 GLU HBx 1.0 . 5.12 1359 1199 A 82 LYS HA A 82 LYS HDx 1.0 . 4.76 1360 1199 A 82 LYS HDy A 82 LYS HA 1.0 . 4.76 1361 1200 A 17 SER HA A 18 LYS HDx 1.0 . 4.98 1362 1200 A 17 SER HA A 18 LYS HDy 1.0 . 4.98 1363 1201 A 17 SER HBx A 18 LYS HDx 1.0 . 4.34 1364 1201 A 17 SER HBx A 18 LYS HDy 1.0 . 4.34 1365 1202 A 53 LYS HBy A 53 LYS HDx 1.0 . 3.18 1366 1202 A 53 LYS HBx A 53 LYS HDx 1.0 . 3.18 1367 1202 A 53 LYS HDy A 53 LYS HBx 1.0 . 3.18 1368 1202 A 53 LYS HBy A 53 LYS HDy 1.0 . 3.18 1369 1203 A 95 SER HBx A 53 LYS HDx 1.0 . 4.76 1370 1203 A 53 LYS HDy A 95 SER HBx 1.0 . 4.76 1371 1204 A 30 VAL HGx% A 33 GLU HBx 1.0 . 5.49 1372 1205 A 56 GLY HAx A 53 LYS HDx 1.0 . 4.49 1373 1205 A 53 LYS HDy A 56 GLY HAx 1.0 . 4.49 1374 1206 A 56 GLY H A 53 LYS HDx 1.0 . 5.50 1375 1206 A 53 LYS HDy A 56 GLY H 1.0 . 5.50 1376 1207 A 57 LYS H A 53 LYS HDx 1.0 . 5.50 1377 1207 A 53 LYS HDy A 57 LYS H 1.0 . 5.50 1378 1208 A 53 LYS HDy A 58 PHE HD% 1.0 . 4.18 1379 1208 A 58 PHE HD% A 53 LYS HDx 1.0 . 4.18 1380 1208 A 53 LYS HDy A 58 PHE HE% 1.0 . 4.18 1381 1208 A 58 PHE HE% A 53 LYS HDx 1.0 . 4.18 1382 1209 A 53 LYS HA A 53 LYS HDx 1.0 . 5.50 1383 1209 A 53 LYS HDy A 53 LYS HA 1.0 . 5.50 1384 1210 A 83 VAL HGx% A 85 ILE HG1x 1.0 . 5.50 1385 1210 A 83 VAL HGx% A 85 ILE HG1y 1.0 . 5.50 1386 1211 A 59 LYS H A 57 LYS HDx 1.0 . 4.80 1387 1211 A 59 LYS H A 57 LYS HDy 1.0 . 4.80 1388 1212 A 76 ILE H A 76 ILE HG1y 1.0 . 4.03 1389 1213 A 47 PHE HE% A 76 ILE HG1y 1.0 . 5.33 1390 1214 A 76 ILE HA A 76 ILE HG1y 1.0 . 4.19 1391 1215 A 15 LYS HA A 15 LYS HDx 1.0 . 5.05 1392 1215 A 15 LYS HA A 15 LYS HDy 1.0 . 5.05 1393 1216 A 15 LYS HBy A 15 LYS HDx 1.0 . 2.40 1394 1216 A 15 LYS HDy A 15 LYS HBy 1.0 . 2.40 1395 1217 A 72 TYR HA A 85 ILE HG1x 1.0 . 4.88 1396 1217 A 72 TYR HA A 85 ILE HG1y 1.0 . 4.88 1397 1218 A 85 ILE H A 85 ILE HG1x 1.0 . 4.54 1398 1218 A 85 ILE H A 85 ILE HG1y 1.0 . 4.54 1399 1219 A 72 TYR HE% A 85 ILE HG1x 1.0 . 4.48 1400 1219 A 72 TYR HE% A 85 ILE HG1y 1.0 . 4.48 1401 1220 A 72 TYR HD% A 85 ILE HG1x 1.0 . 4.74 1402 1220 A 85 ILE HG1y A 72 TYR HD% 1.0 . 4.74 1403 1221 A 85 ILE HA A 85 ILE HG1x 1.0 . 4.10 1404 1221 A 85 ILE HA A 85 ILE HG1y 1.0 . 4.10 1405 1222 A 83 VAL HGy% A 85 ILE HG1x 1.0 . 4.47 1406 1222 A 83 VAL HGy% A 85 ILE HG1y 1.0 . 4.47 1407 1223 A 86 ASN H A 85 ILE HG1x 1.0 . 5.07 1408 1223 A 86 ASN H A 85 ILE HG1y 1.0 . 5.07 1409 1224 A 82 LYS H A 76 ILE HG1x 1.0 . 5.22 1410 1225 A 76 ILE HG1x A 76 ILE H 1.0 . 4.22 1411 1226 A 76 ILE HG1x A 47 PHE HD% 1.0 . 5.50 1412 1227 A 76 ILE HG1x A 76 ILE HG2% 1.0 . 4.25 1413 1228 A 58 PHE H A 57 LYS HDx 1.0 . 4.85 1414 1228 A 58 PHE H A 57 LYS HDy 1.0 . 4.85 1415 1229 A 57 LYS HA A 57 LYS HDx 1.0 . 4.22 1416 1229 A 57 LYS HDy A 57 LYS HA 1.0 . 4.22 1417 1230 A 57 LYS H A 57 LYS HDx 1.0 . 5.07 1418 1230 A 57 LYS H A 57 LYS HDy 1.0 . 5.07 1419 1231 A 117 LYS HA A 117 LYS HDx 1.0 . 4.18 1420 1231 A 117 LYS HA A 117 LYS HDy 1.0 . 4.18 1421 1232 A 45 LYS HA A 45 LYS HDx 1.0 . 3.98 1422 1232 A 45 LYS HDy A 45 LYS HA 1.0 . 3.98 1423 1233 A 45 LYS H A 45 LYS HDx 1.0 . 4.40 1424 1233 A 45 LYS H A 45 LYS HDy 1.0 . 4.40 1425 1234 A 45 LYS HGy A 45 LYS HDx 1.0 . 2.40 1426 1234 A 45 LYS HDy A 45 LYS HGy 1.0 . 2.40 1427 1235 A 82 LYS H A 76 ILE HG1y 1.0 . 5.50 1428 1236 A 76 ILE HG1x A 47 PHE HE% 1.0 . 4.61 1429 1237 A 29 LYS H A 29 LYS HDx 1.0 . 4.23 1430 1237 A 29 LYS H A 29 LYS HDy 1.0 . 4.23 1431 1238 A 29 LYS HA A 29 LYS HDx 1.0 . 4.42 1432 1238 A 29 LYS HDy A 29 LYS HA 1.0 . 4.42 1433 1239 A 30 VAL H A 29 LYS HDx 1.0 . 4.64 1434 1239 A 30 VAL H A 29 LYS HDy 1.0 . 4.64 1435 1240 A 38 LEU H A 20 PRO HGx 1.0 . 4.03 1436 1240 A 38 LEU H A 20 PRO HGy 1.0 . 4.03 1437 1241 A 37 SER HA A 20 PRO HGx 1.0 . 4.46 1438 1241 A 37 SER HA A 20 PRO HGy 1.0 . 4.46 1439 1242 A 37 SER HBy A 20 PRO HGx 1.0 . 3.51 1440 1242 A 37 SER HBy A 20 PRO HGy 1.0 . 3.51 1441 1243 A 37 SER H A 20 PRO HGx 1.0 . 5.50 1442 1243 A 37 SER H A 20 PRO HGy 1.0 . 5.50 1443 1244 A 23 LEU H A 20 PRO HGx 1.0 . 5.27 1444 1244 A 23 LEU H A 20 PRO HGy 1.0 . 5.27 1445 1245 A 83 VAL HGy% A 37 SER HBx 1.0 . 5.50 1446 1246 A 83 VAL H A 37 SER HBx 1.0 . 5.38 1447 1247 A 37 SER HBy A 111 PHE HE% 1.0 . 5.50 1448 1248 A 38 LEU H A 37 SER HBx 1.0 . 4.34 1449 1249 A 36 SER HA A 37 SER HBx 1.0 . 5.11 1450 1250 A 111 PHE HE% A 37 SER HBx 1.0 . 5.28 1451 1251 A 39 PHE HE% A 37 SER HBx 1.0 . 4.26 1452 1252 A 20 PRO HBy A 37 SER HBx 1.0 . 5.05 1453 1253 A 37 SER HBx A 20 PRO HGx 1.0 . 4.16 1454 1253 A 20 PRO HGy A 37 SER HBx 1.0 . 4.16 1455 1254 A 100 VAL HGx% A 99 CYS HBy 1.0 . 5.50 1456 1255 A 41 CYS HBy A 79 ASN HD2y 1.0 . 5.39 1457 1256 A 41 CYS HBy A 47 PHE HE% 1.0 . 4.04 1458 1257 A 41 CYS HBy A 79 ASN HBy 1.0 . 4.37 1459 1258 A 41 CYS HBy A 41 CYS H 1.0 . 3.69 1460 1259 A 41 CYS HBy A 44 TYR H 1.0 . 4.53 1461 1260 A 41 CYS HBy A 40 ALA HA 1.0 . 5.34 1462 1261 A 41 CYS HBy A 79 ASN HA 1.0 . 5.38 1463 1262 A 41 CYS HBx A 40 ALA HA 1.0 . 5.41 1464 1263 A 41 CYS HBx A 41 CYS H 1.0 . 3.72 1465 1264 A 41 CYS HBx A 79 ASN HBy 1.0 . 4.99 1466 1265 A 65 LYS HA A 49 ILE HG1y 1.0 . 5.35 1467 1266 A 108 GLU HA A 99 CYS HBy 1.0 . 5.35 1468 1267 A 99 CYS H A 99 CYS HBy 1.0 . 3.63 1469 1268 A 49 ILE HG2% A 50 SER HBy 1.0 . 5.36 1470 1269 A 50 SER HBx A 49 ILE HG2% 1.0 . 5.29 1471 1270 A 99 CYS H A 99 CYS HBx 1.0 . 3.79 1472 1271 A 50 SER HBx A 51 SER H 1.0 . 4.38 1473 1272 A 100 VAL HGx% A 99 CYS HBx 1.0 . 5.48 1474 1273 A 48 TRP HA A 49 ILE HG1y 1.0 . 5.15 1475 1274 A 49 ILE H A 49 ILE HG1y 1.0 . 3.92 1476 1275 A 50 SER H A 49 ILE HG1y 1.0 . 5.36 1477 1276 A 65 LYS HA A 49 ILE HG1x 1.0 . 5.47 1478 1277 A 48 TRP HBy A 49 ILE HG1x 1.0 . 5.50 1479 1278 A 86 ASN H A 71 TRP HBy 1.0 . 5.31 1480 1279 A 71 TRP HBy A 85 ILE HG2% 1.0 . 5.50 1481 1280 A 71 TRP H A 71 TRP HBy 1.0 . 4.13 1482 1281 A 71 TRP HBx A 71 TRP H 1.0 . 3.87 1483 1282 A 39 PHE H A 38 LEU HG 1.0 . 3.74 1484 1283 A 38 LEU HA A 38 LEU HG 1.0 . 3.58 1485 1284 A 57 LYS H A 55 GLU HBy 1.0 . 5.21 1486 1285 A 55 GLU HBy A 57 LYS HEx 1.0 . 5.42 1487 1285 A 57 LYS HEy A 55 GLU HBy 1.0 . 5.42 1488 1286 A 54 GLU HA A 55 GLU HBx 1.0 . 5.50 1489 1287 A 55 GLU HBx A 57 LYS HEx 1.0 . 5.50 1490 1287 A 57 LYS HEy A 55 GLU HBx 1.0 . 5.50 1491 1288 A 55 GLU HBx A 56 GLY H 1.0 . 4.42 1492 1289 A 84 ILE H A 84 ILE HG1y 1.0 . 3.98 1493 1290 A 84 ILE HG1y A 36 SER HBx 1.0 . 4.22 1494 1290 A 36 SER HBy A 84 ILE HG1y 1.0 . 4.22 1495 1291 A 37 SER H A 84 ILE HG1y 1.0 . 5.50 1496 1292 A 37 SER H A 84 ILE HG1x 1.0 . 5.14 1497 1293 A 85 ILE H A 84 ILE HG1y 1.0 . 5.18 1498 1294 A 84 ILE HA A 84 ILE HG1y 1.0 . 3.87 1499 1295 A 36 SER HA A 84 ILE HG1y 1.0 . 4.49 1500 1296 A 36 SER HA A 84 ILE HG1x 1.0 . 4.48 1501 1297 A 84 ILE HG1x A 36 SER HBx 1.0 . 3.96 1502 1297 A 36 SER HBy A 84 ILE HG1x 1.0 . 3.96 1503 1298 A 84 ILE H A 84 ILE HG1x 1.0 . 4.37 1504 1299 A 84 ILE HA A 84 ILE HG1x 1.0 . 3.79 1505 1300 A 51 SER HBy A 58 PHE HE% 1.0 . 5.35 1506 1300 A 58 PHE HD% A 51 SER HBy 1.0 . 5.35 1507 1301 A 51 SER HBx A 58 PHE HE% 1.0 . 4.74 1508 1301 A 58 PHE HD% A 51 SER HBx 1.0 . 4.74 1509 1302 A 84 ILE HA A 36 SER HBx 1.0 . 3.83 1510 1302 A 36 SER HBy A 84 ILE HA 1.0 . 3.83 1511 1303 A 60 GLU H A 59 LYS HDy 1.0 . 4.14 1512 1304 A 67 PHE HE% A 59 LYS HDy 1.0 . 5.50 1513 1305 A 52 VAL HGx% A 59 LYS HDy 1.0 . 5.50 1514 1306 A 60 GLU H A 59 LYS HDx 1.0 . 4.14 1515 1307 A 52 VAL HGx% A 59 LYS HDx 1.0 . 5.34 1516 1308 A 88 ASN H A 87 ARG HGy 1.0 . 4.07 1517 1309 A 82 LYS H A 81 LEU HG 1.0 . 4.44 1518 1310 A 39 PHE HD% A 81 LEU HG 1.0 . 5.11 1519 1311 A 88 ASN H A 87 ARG HGx 1.0 . 4.18 1520 1312 A 88 ASN HA A 87 ARG HGx 1.0 . 4.68 1521 1313 A 87 ARG H A 87 ARG HGx 1.0 . 4.37 1522 1314 A 87 ARG HGx A 33 GLU HA 1.0 . 3.69 1523 1315 A 87 ARG HGx A 89 GLU HA 1.0 . 5.39 1524 1316 A 14 MET H A 13 PRO HGx 1.0 . 5.04 1525 1317 A 6 ASP HA A 7 PRO HGx 1.0 . 4.41 1526 1317 A 6 ASP HA A 7 PRO HGy 1.0 . 4.41 1527 1318 A 8 ASP H A 7 PRO HGx 1.0 . 4.11 1528 1318 A 8 ASP H A 7 PRO HGy 1.0 . 4.11 1529 1319 A 10 LEU HG A 10 LEU HA 1.0 . 3.97 1530 1320 A 23 LEU HG A 23 LEU H 1.0 . 5.26 1531 1321 A 23 LEU HG A 26 GLY HAy 1.0 . 4.67 1532 1322 A 23 LEU HG A 23 LEU HA 1.0 . 3.98 1533 1323 A 23 LEU HG A 24 LYS HA 1.0 . 5.23 1534 1324 A 27 GLU H A 23 LEU HDy% 1.0 . 4.98 1535 1325 A 23 LEU HBy A 23 LEU HDy% 1.0 . 3.14 1536 1326 A 24 LYS H A 23 LEU HDy% 1.0 . 4.20 1537 1327 A 23 LEU H A 23 LEU HDy% 1.0 . 4.14 1538 1328 A 23 LEU HDy% A 23 LEU HA 1.0 . 3.94 1539 1329 A 23 LEU HDy% A 26 GLY HAy 1.0 . 4.36 1540 1330 A 23 LEU HDy% A 20 PRO HDy 1.0 . 4.28 1541 1331 A 46 SER H A 46 SER HBy 1.0 . 4.01 1542 1332 A 45 LYS HBx A 46 SER HBx 1.0 . 5.04 1543 1333 A 63 SER HBy A 66 GLU HBx 1.0 . 4.67 1544 1333 A 63 SER HBy A 66 GLU HBy 1.0 . 4.67 1545 1334 A 63 SER H A 63 SER HBx 1.0 . 4.08 1546 1335 A 66 GLU H A 63 SER HBx 1.0 . 4.57 1547 1336 A 93 SER HBy A 93 SER H 1.0 . 3.28 1548 1337 A 115 ALA H A 93 SER HBy 1.0 . 4.40 1549 1338 A 115 ALA HB% A 93 SER HBy 1.0 . 5.50 1550 1339 A 93 SER HBx A 93 SER H 1.0 . 3.25 1551 1340 A 115 ALA H A 93 SER HBx 1.0 . 4.35 1552 1341 A 115 ALA HB% A 93 SER HBx 1.0 . 4.94 1553 1342 A 17 SER HBx A 42 LYS HA 1.0 . 4.57 1554 1343 A 82 LYS H A 82 LYS HGy 1.0 . 4.21 1555 1344 A 82 LYS HGy A 82 LYS HEx 1.0 . 3.81 1556 1344 A 82 LYS HEy A 82 LYS HGy 1.0 . 3.81 1557 1345 A 82 LYS HGy A 82 LYS HA 1.0 . 3.96 1558 1346 A 82 LYS HGx A 38 LEU HDy% 1.0 . 3.96 1559 1347 A 81 LEU HDy% A 39 PHE H 1.0 . 4.59 1560 1348 A 81 LEU HDy% A 81 LEU H 1.0 . 4.25 1561 1349 A 81 LEU HDy% A 81 LEU HA 1.0 . 4.39 1562 1350 A 81 LEU HDy% A 39 PHE HBy 1.0 . 3.87 1563 1351 A 81 LEU HDy% A 81 LEU HBy 1.0 . 3.29 1564 1352 A 81 LEU HDy% A 81 LEU HBx 1.0 . 3.78 1565 1353 A 18 LYS H A 17 SER HBy 1.0 . 4.54 1566 1354 A 82 LYS HGx A 82 LYS HA 1.0 . 3.88 1567 1355 A 73 LEU HDx% A 69 GLY H 1.0 . 4.62 1568 1356 A 73 LEU HDx% A 73 LEU HA 1.0 . 3.98 1569 1357 A 17 SER H A 17 SER HBy 1.0 . 4.16 1570 1358 A 17 SER HBy A 42 LYS HEx 1.0 . 5.50 1571 1358 A 42 LYS HEy A 17 SER HBy 1.0 . 5.50 1572 1359 A 42 LYS HBy A 17 SER HBy 1.0 . 4.42 1573 1360 A 18 LYS H A 17 SER HBx 1.0 . 4.65 1574 1361 A 17 SER HBx A 42 LYS HEx 1.0 . 5.31 1575 1361 A 17 SER HBx A 42 LYS HEy 1.0 . 5.31 1576 1362 A 42 LYS H A 17 SER HBx 1.0 . 5.17 1577 1363 A 50 SER HA A 49 ILE HA 1.0 . 5.22 1578 1364 A 50 SER H A 49 ILE HA 1.0 . 3.33 1579 1365 A 49 ILE HG1x A 49 ILE HA 1.0 . 3.76 1580 1366 A 49 ILE HA A 51 SER H 1.0 . 4.52 1581 1367 A 75 LYS H A 75 LYS HGx 1.0 . 4.13 1582 1367 A 75 LYS H A 75 LYS HGy 1.0 . 4.13 1583 1368 A 76 ILE H A 75 LYS HGx 1.0 . 3.75 1584 1368 A 76 ILE H A 75 LYS HGy 1.0 . 3.75 1585 1369 A 75 LYS HEx A 75 LYS HGx 1.0 . 3.26 1586 1369 A 75 LYS HEy A 75 LYS HGx 1.0 . 3.26 1587 1369 A 75 LYS HGy A 75 LYS HEx 1.0 . 3.26 1588 1369 A 75 LYS HGy A 75 LYS HEy 1.0 . 3.26 1589 1370 A 73 LEU HDx% A 75 LYS HGx 1.0 . 4.34 1590 1370 A 73 LEU HDx% A 75 LYS HGy 1.0 . 4.34 1591 1371 A 39 PHE H A 38 LEU HDy% 1.0 . 3.40 1592 1372 A 38 LEU H A 38 LEU HDy% 1.0 . 4.45 1593 1373 A 38 LEU HA A 38 LEU HDy% 1.0 . 3.18 1594 1374 A 110 LYS HA A 110 LYS HGx 1.0 . 3.90 1595 1375 A 38 LEU HDy% A 82 LYS HEx 1.0 . 3.45 1596 1375 A 82 LYS HEy A 38 LEU HDy% 1.0 . 3.45 1597 1376 A 75 LYS HBx A 75 LYS HGx 1.0 . 2.72 1598 1376 A 75 LYS HGy A 75 LYS HBx 1.0 . 2.72 1599 1377 A 111 PHE H A 110 LYS HGy 1.0 . 4.39 1600 1378 A 110 LYS HA A 110 LYS HGy 1.0 . 3.70 1601 1379 A 110 LYS HGx A 110 LYS HEy 1.0 . 4.22 1602 1379 A 110 LYS HEx A 110 LYS HGx 1.0 . 4.22 1603 1380 A 21 SER H A 21 SER HBx 1.0 . 3.18 1604 1380 A 21 SER H A 21 SER HBy 1.0 . 3.18 1605 1381 A 23 LEU H A 21 SER HBx 1.0 . 5.11 1606 1381 A 23 LEU H A 21 SER HBy 1.0 . 5.11 1607 1382 A 21 SER HA A 21 SER HBx 1.0 . 2.73 1608 1382 A 21 SER HBy A 21 SER HA 1.0 . 2.73 1609 1383 A 20 PRO HBx A 21 SER HBx 1.0 . 5.19 1610 1383 A 20 PRO HBx A 21 SER HBy 1.0 . 5.19 1611 1384 A 45 LYS HA A 45 LYS HGy 1.0 . 3.75 1612 1385 A 18 LYS HA A 18 LYS HGx 1.0 . 3.53 1613 1386 A 10 LEU H A 10 LEU HDx% 1.0 . 4.69 1614 1387 A 57 LYS H A 53 LYS HGx 1.0 . 4.49 1615 1387 A 53 LYS HGy A 57 LYS H 1.0 . 4.49 1616 1388 A 53 LYS HEx A 53 LYS HGx 1.0 . 3.96 1617 1388 A 53 LYS HGy A 53 LYS HEx 1.0 . 3.96 1618 1389 A 95 SER HBx A 53 LYS HGx 1.0 . 4.55 1619 1389 A 53 LYS HGy A 95 SER HBx 1.0 . 4.55 1620 1390 A 106 PHE H A 13 PRO HA 1.0 . 5.50 1621 1391 A 117 LYS H A 117 LYS HGx 1.0 . 4.04 1622 1391 A 117 LYS HGy A 117 LYS H 1.0 . 4.04 1623 1392 A 45 LYS HGx A 45 LYS HDx 1.0 . 2.49 1624 1392 A 45 LYS HGx A 45 LYS HDy 1.0 . 2.49 1625 1393 A 40 ALA H A 18 LYS HGy 1.0 . 4.89 1626 1394 A 18 LYS HA A 18 LYS HGy 1.0 . 3.67 1627 1395 A 19 VAL H A 18 LYS HGy 1.0 . 4.39 1628 1396 A 53 LYS H A 53 LYS HGx 1.0 . 4.43 1629 1396 A 53 LYS H A 53 LYS HGy 1.0 . 4.43 1630 1397 A 54 GLU HA A 53 LYS HGx 1.0 . 3.50 1631 1397 A 54 GLU HA A 53 LYS HGy 1.0 . 3.50 1632 1398 A 105 ALA HB% A 13 PRO HA 1.0 . 4.12 1633 1399 A 30 VAL H A 29 LYS HGy 1.0 . 4.56 1634 1400 A 29 LYS HA A 29 LYS HGy 1.0 . 3.95 1635 1401 A 29 LYS HGy A 29 LYS HDx 1.0 . 2.69 1636 1401 A 29 LYS HDy A 29 LYS HGy 1.0 . 2.69 1637 1402 A 18 LYS H A 18 LYS HGy 1.0 . 4.91 1638 1403 A 29 LYS HA A 29 LYS HGx 1.0 . 3.95 1639 1404 A 29 LYS HGx A 29 LYS HDx 1.0 . 2.76 1640 1404 A 29 LYS HDy A 29 LYS HGx 1.0 . 2.76 1641 1405 A 15 LYS HDy A 15 LYS HGx 1.0 . 2.48 1642 1405 A 15 LYS HDx A 15 LYS HGx 1.0 . 2.48 1643 1405 A 15 LYS HGy A 15 LYS HDx 1.0 . 2.48 1644 1405 A 15 LYS HGy A 15 LYS HDy 1.0 . 2.48 1645 1406 A 42 LYS HEy A 42 LYS HGx 1.0 . 3.34 1646 1406 A 42 LYS HEx A 42 LYS HGx 1.0 . 3.34 1647 1406 A 42 LYS HGy A 42 LYS HEx 1.0 . 3.34 1648 1406 A 42 LYS HGy A 42 LYS HEy 1.0 . 3.34 1649 1407 A 82 LYS H A 81 LEU HDx% 1.0 . 3.33 1650 1408 A 81 LEU HDx% A 81 LEU HA 1.0 . 3.23 1651 1409 A 81 LEU HBy A 81 LEU HDx% 1.0 . 3.68 1652 1410 A 112 VAL HGx% A 29 LYS HGy 1.0 . 5.34 1653 1411 A 42 LYS H A 42 LYS HGx 1.0 . 4.10 1654 1411 A 42 LYS H A 42 LYS HGy 1.0 . 4.10 1655 1412 A 17 SER HBx A 42 LYS HGx 1.0 . 4.23 1656 1412 A 17 SER HBx A 42 LYS HGy 1.0 . 4.23 1657 1413 A 113 GLN H A 94 ARG HGy 1.0 . 5.50 1658 1414 A 28 LEU HDy% A 27 GLU H 1.0 . 3.86 1659 1415 A 28 LEU HDy% A 27 GLU HA 1.0 . 4.51 1660 1416 A 110 LYS HA A 28 LEU HDy% 1.0 . 5.21 1661 1417 A 28 LEU HDy% A 28 LEU HA 1.0 . 3.96 1662 1418 A 28 LEU HDy% A 23 LEU HA 1.0 . 3.03 1663 1419 A 28 LEU HDy% A 26 GLY HAy 1.0 . 3.86 1664 1420 A 28 LEU H A 28 LEU HDy% 1.0 . 4.50 1665 1421 A 24 LYS H A 28 LEU HDy% 1.0 . 3.61 1666 1422 A 28 LEU HDy% A 23 LEU H 1.0 . 4.11 1667 1423 A 28 LEU HBy A 28 LEU HDy% 1.0 . 3.50 1668 1424 A 23 LEU HG A 28 LEU HDy% 1.0 . 3.02 1669 1425 A 23 LEU HBx A 28 LEU HDy% 1.0 . 3.16 1670 1426 A 28 LEU HDy% A 23 LEU HDy% 1.0 . 2.90 1671 1427 A 29 LYS H A 28 LEU HDy% 1.0 . 5.50 1672 1428 A 63 SER H A 62 THR HA 1.0 . 3.16 1673 1429 A 23 LEU H A 28 LEU HDx% 1.0 . 3.62 1674 1430 A 28 LEU HDx% A 23 LEU HA 1.0 . 3.35 1675 1431 A 111 PHE HE% A 28 LEU HDx% 1.0 . 5.47 1676 1432 A 8 ASP H A 10 LEU HDy% 1.0 . 4.85 1677 1433 A 10 LEU H A 10 LEU HDy% 1.0 . 4.68 1678 1434 A 10 LEU HDy% A 8 ASP HBy 1.0 . 4.66 1679 1435 A 67 PHE H A 74 VAL HGy% 1.0 . 3.95 1680 1436 A 74 VAL H A 74 VAL HGy% 1.0 . 3.34 1681 1437 A 74 VAL HA A 74 VAL HGy% 1.0 . 3.20 1682 1438 A 67 PHE HBx A 74 VAL HGy% 1.0 . 4.12 1683 1439 A 83 VAL HGy% A 84 ILE HA 1.0 . 5.02 1684 1440 A 86 ASN H A 85 ILE HA 1.0 . 3.18 1685 1441 A 75 LYS H A 83 VAL HA 1.0 . 4.61 1686 1442 A 84 ILE H A 83 VAL HA 1.0 . 2.95 1687 1443 A 85 ILE H A 84 ILE HA 1.0 . 2.98 1688 1444 A 98 VAL H A 97 THR HA 1.0 . 3.00 1689 1445 A 111 PHE H A 97 THR HA 1.0 . 3.91 1690 1446 A 110 LYS HA A 97 THR HA 1.0 . 3.22 1691 1447 A 110 LYS HGy A 97 THR HA 1.0 . 4.42 1692 1448 A 92 ALA H A 90 THR HA 1.0 . 4.43 1693 1449 A 113 GLN H A 112 VAL HA 1.0 . 3.03 1694 1450 A 113 GLN HBx A 112 VAL HA 1.0 . 4.75 1695 1451 A 112 VAL HA A 112 VAL HGx% 1.0 . 3.36 1696 1452 A 113 GLN HBy A 112 VAL HA 1.0 . 4.71 1697 1453 A 29 LYS HA A 30 VAL HA 1.0 . 4.62 1698 1454 A 31 GLU H A 30 VAL HA 1.0 . 2.75 1699 1455 A 31 GLU HGy A 30 VAL HA 1.0 . 4.03 1700 1456 A 74 VAL HA A 74 VAL HGx% 1.0 . 3.35 1701 1457 A 19 VAL HGx% A 19 VAL HA 1.0 . 3.19 1702 1458 A 16 TRP HBy A 19 VAL HGx% 1.0 . 3.24 1703 1459 A 16 TRP HBx A 19 VAL HGx% 1.0 . 3.19 1704 1460 A 19 VAL HGx% A 19 VAL H 1.0 . 3.84 1705 1461 A 97 THR HA A 110 LYS HBx 1.0 . 4.85 1706 1461 A 110 LYS HBy A 97 THR HA 1.0 . 4.85 1707 1462 A 90 THR HB A 90 THR HA 1.0 . 2.85 1708 1463 A 98 VAL H A 98 VAL HGy% 1.0 . 3.76 1709 1464 A 75 LYS H A 74 VAL HGx% 1.0 . 3.56 1710 1465 A 109 PHE H A 98 VAL HGy% 1.0 . 5.08 1711 1466 A 111 PHE HE% A 98 VAL HGy% 1.0 . 3.92 1712 1467 A 98 VAL HGy% A 98 VAL HA 1.0 . 3.47 1713 1468 A 83 VAL HGx% A 98 VAL HGy% 1.0 . 3.19 1714 1469 A 100 VAL HGx% A 101 GLU H 1.0 . 4.10 1715 1470 A 100 VAL HGx% A 47 PHE HE% 1.0 . 3.98 1716 1471 A 100 VAL HGx% A 47 PHE HD% 1.0 . 3.86 1717 1472 A 100 VAL HGx% A 100 VAL HA 1.0 . 3.29 1718 1473 A 100 VAL HGx% A 49 ILE HA 1.0 . 3.65 1719 1474 A 81 LEU HDy% A 100 VAL HGx% 1.0 . 3.64 1720 1475 A 23 LEU H A 21 SER HA 1.0 . 4.06 1721 1476 A 76 ILE HA A 77 GLU HA 1.0 . 4.89 1722 1477 A 93 SER H A 92 ALA HB% 1.0 . 3.01 1723 1478 A 92 ALA H A 92 ALA HB% 1.0 . 3.06 1724 1479 A 88 ASN HD2x A 92 ALA HB% 1.0 . 5.19 1725 1480 A 90 THR HB A 92 ALA HB% 1.0 . 4.30 1726 1481 A 52 VAL HGx% A 59 LYS HEx 1.0 . 4.82 1727 1482 A 77 GLU H A 76 ILE HA 1.0 . 2.88 1728 1483 A 81 LEU HDx% A 76 ILE HA 1.0 . 4.60 1729 1484 A 82 LYS H A 76 ILE HA 1.0 . 4.10 1730 1485 A 76 ILE HG1x A 76 ILE HA 1.0 . 3.62 1731 1486 A 99 CYS H A 98 VAL HA 1.0 . 2.90 1732 1487 A 40 ALA HB% A 17 SER HBy 1.0 . 4.96 1733 1488 A 40 ALA HB% A 80 GLU HGy 1.0 . 4.14 1734 1489 A 40 ALA HB% A 40 ALA H 1.0 . 3.12 1735 1490 A 40 ALA HB% A 79 ASN HD2y 1.0 . 4.23 1736 1491 A 18 LYS H A 40 ALA HB% 1.0 . 3.59 1737 1492 A 40 ALA HB% A 79 ASN HD2x 1.0 . 3.94 1738 1493 A 40 ALA HB% A 39 PHE HA 1.0 . 4.94 1739 1494 A 40 ALA HB% A 80 GLU HGx 1.0 . 4.23 1740 1495 A 97 THR H A 52 VAL HGx% 1.0 . 4.22 1741 1496 A 53 LYS H A 52 VAL HGx% 1.0 . 3.43 1742 1497 A 52 VAL HGx% A 52 VAL H 1.0 . 3.95 1743 1498 A 52 VAL HA A 52 VAL HGx% 1.0 . 3.12 1744 1499 A 52 VAL HGx% A 59 LYS HGy 1.0 . 3.93 1745 1499 A 52 VAL HGx% A 59 LYS HGx 1.0 . 3.93 1746 1500 A 53 LYS HA A 52 VAL HGx% 1.0 . 5.19 1747 1501 A 54 GLU HBy A 52 VAL HGx% 1.0 . 4.66 1748 1502 A 62 THR HG2% A 62 THR H 1.0 . 3.72 1749 1503 A 63 SER H A 62 THR HG2% 1.0 . 4.31 1750 1504 A 62 THR HG2% A 62 THR HA 1.0 . 3.11 1751 1505 A 97 THR HG2% A 99 CYS HBx 1.0 . 5.50 1752 1506 A 97 THR HG2% A 110 LYS HEy 1.0 . 5.50 1753 1506 A 97 THR HG2% A 110 LYS HEx 1.0 . 5.50 1754 1507 A 98 VAL H A 97 THR HG2% 1.0 . 3.28 1755 1508 A 99 CYS H A 97 THR HG2% 1.0 . 4.36 1756 1509 A 97 THR HG2% A 109 PHE H 1.0 . 4.05 1757 1510 A 97 THR HG2% A 97 THR HA 1.0 . 3.31 1758 1511 A 97 THR HG2% A 110 LYS HA 1.0 . 3.08 1759 1512 A 97 THR HG2% A 108 GLU HGy 1.0 . 3.90 1760 1513 A 14 MET H A 105 ALA HB% 1.0 . 3.74 1761 1514 A 105 ALA H A 105 ALA HB% 1.0 . 3.23 1762 1515 A 106 PHE HA A 105 ALA HB% 1.0 . 4.94 1763 1516 A 14 MET HA A 105 ALA HB% 1.0 . 5.13 1764 1517 A 105 ALA HB% A 14 MET HGy 1.0 . 3.56 1765 1518 A 41 CYS HA A 79 ASN HD2y 1.0 . 5.50 1766 1519 A 49 ILE H A 64 TYR HA 1.0 . 4.11 1767 1520 A 41 CYS HA A 40 ALA HA 1.0 . 5.02 1768 1521 A 42 LYS H A 41 CYS HA 1.0 . 3.19 1769 1522 A 17 SER H A 41 CYS HA 1.0 . 3.93 1770 1523 A 41 CYS HA A 43 ASN H 1.0 . 4.42 1771 1524 A 41 CYS HA A 42 LYS HBx 1.0 . 5.37 1772 1525 A 52 VAL HGy% A 52 VAL H 1.0 . 3.79 1773 1526 A 52 VAL HA A 52 VAL HGy% 1.0 . 3.22 1774 1527 A 49 ILE HB A 64 TYR HA 1.0 . 3.77 1775 1528 A 65 LYS HGx A 64 TYR HA 1.0 . 4.73 1776 1529 A 59 LYS H A 58 PHE HA 1.0 . 3.11 1777 1530 A 68 ASP H A 67 PHE HA 1.0 . 2.91 1778 1531 A 67 PHE HE% A 67 PHE HA 1.0 . 5.12 1779 1532 A 74 VAL HB A 67 PHE HA 1.0 . 4.58 1780 1533 A 91 ASN H A 90 THR HG2% 1.0 . 3.69 1781 1534 A 89 GLU H A 90 THR HG2% 1.0 . 3.89 1782 1535 A 90 THR H A 90 THR HG2% 1.0 . 3.10 1783 1536 A 88 ASN HD2x A 90 THR HG2% 1.0 . 5.50 1784 1537 A 90 THR HA A 90 THR HG2% 1.0 . 3.06 1785 1538 A 30 VAL HGy% A 113 GLN HA 1.0 . 4.54 1786 1539 A 30 VAL HGy% A 112 VAL H 1.0 . 4.48 1787 1540 A 17 SER HBx A 17 SER HA 1.0 . 3.00 1788 1541 A 98 VAL HGx% A 109 PHE HD% 1.0 . 3.95 1789 1542 A 98 VAL HGx% A 98 VAL HA 1.0 . 3.57 1790 1543 A 98 VAL HGx% A 83 VAL HGx% 1.0 . 3.52 1791 1544 A 81 LEU HDy% A 98 VAL HGx% 1.0 . 3.98 1792 1545 A 98 VAL HGx% A 109 PHE H 1.0 . 4.13 1793 1546 A 111 PHE HD% A 98 VAL HGx% 1.0 . 5.32 1794 1547 A 98 VAL HGx% A 72 TYR HE% 1.0 . 4.30 1795 1548 A 111 PHE HD% A 30 VAL HGy% 1.0 . 3.57 1796 1549 A 30 VAL HGy% A 30 VAL HA 1.0 . 3.18 1797 1550 A 37 SER H A 83 VAL HGy% 1.0 . 5.02 1798 1551 A 84 ILE H A 83 VAL HGy% 1.0 . 3.58 1799 1552 A 85 ILE H A 83 VAL HGy% 1.0 . 4.22 1800 1553 A 83 VAL H A 83 VAL HGy% 1.0 . 4.14 1801 1554 A 83 VAL HA A 83 VAL HGy% 1.0 . 3.39 1802 1555 A 88 ASN H A 33 GLU HA 1.0 . 4.38 1803 1556 A 33 GLU HGx A 33 GLU HA 1.0 . 3.74 1804 1557 A 33 GLU HBx A 33 GLU HA 1.0 . 2.95 1805 1558 A 87 ARG HGy A 33 GLU HA 1.0 . 3.31 1806 1559 A 32 ALA HB% A 33 GLU HA 1.0 . 5.14 1807 1560 A 87 ARG HBy A 33 GLU HA 1.0 . 3.99 1808 1561 A 14 MET HA A 102 ALA HB% 1.0 . 5.50 1809 1562 A 102 ALA HB% A 48 TRP H 1.0 . 4.93 1810 1563 A 14 MET HA A 15 LYS H 1.0 . 3.19 1811 1564 A 14 MET HA A 14 MET HGx 1.0 . 3.75 1812 1565 A 113 GLN H A 112 VAL HGx% 1.0 . 3.50 1813 1566 A 30 VAL H A 112 VAL HGx% 1.0 . 4.54 1814 1567 A 95 SER HBy A 112 VAL HGx% 1.0 . 3.69 1815 1568 A 112 VAL HGx% A 95 SER HA 1.0 . 4.35 1816 1569 A 84 ILE H A 83 VAL HGx% 1.0 . 4.18 1817 1570 A 83 VAL HGx% A 111 PHE HE% 1.0 . 3.96 1818 1571 A 39 PHE HE% A 83 VAL HGx% 1.0 . 3.80 1819 1572 A 83 VAL HGx% A 83 VAL HA 1.0 . 3.28 1820 1573 A 112 VAL H A 112 VAL HGy% 1.0 . 3.24 1821 1574 A 111 PHE HA A 112 VAL HGy% 1.0 . 3.39 1822 1575 A 112 VAL HA A 112 VAL HGy% 1.0 . 3.40 1823 1576 A 102 ALA HB% A 45 LYS H 1.0 . 4.91 1824 1577 A 102 ALA H A 102 ALA HB% 1.0 . 3.46 1825 1578 A 102 ALA HB% A 103 GLY H 1.0 . 4.02 1826 1579 A 102 ALA HB% A 47 PHE HBy 1.0 . 3.15 1827 1580 A 102 ALA HB% A 47 PHE HBx 1.0 . 3.38 1828 1581 A 14 MET HBx A 102 ALA HB% 1.0 . 4.19 1829 1582 A 50 SER H A 100 VAL HA 1.0 . 3.62 1830 1583 A 101 GLU H A 100 VAL HA 1.0 . 3.19 1831 1584 A 49 ILE HA A 100 VAL HA 1.0 . 3.71 1832 1585 A 51 SER HA A 49 ILE HG2% 1.0 . 4.31 1833 1586 A 52 VAL HGy% A 51 SER HA 1.0 . 4.99 1834 1587 A 47 PHE HD% A 100 VAL HA 1.0 . 5.20 1835 1588 A 101 GLU HA A 100 VAL HA 1.0 . 5.01 1836 1589 A 6 ASP H A 5 SER HA 1.0 . 3.16 1837 1590 A 115 ALA HB% A 93 SER H 1.0 . 3.48 1838 1591 A 115 ALA HB% A 115 ALA H 1.0 . 2.69 1839 1592 A 92 ALA H A 115 ALA HB% 1.0 . 3.76 1840 1593 A 88 ASN HD2y A 115 ALA HB% 1.0 . 5.10 1841 1594 A 88 ASN HD2x A 115 ALA HB% 1.0 . 4.52 1842 1595 A 115 ALA HB% A 91 ASN HA 1.0 . 3.04 1843 1596 A 115 ALA HB% A 114 ASP HBx 1.0 . 5.50 1844 1597 A 114 ASP H A 30 VAL HGx% 1.0 . 4.90 1845 1598 A 20 PRO HDy A 19 VAL HA 1.0 . 3.33 1846 1599 A 20 PRO HDx A 19 VAL HA 1.0 . 3.13 1847 1600 A 19 VAL HA A 20 PRO HGx 1.0 . 3.94 1848 1600 A 20 PRO HGy A 19 VAL HA 1.0 . 3.94 1849 1601 A 30 VAL H A 30 VAL HGx% 1.0 . 4.82 1850 1602 A 31 GLU H A 30 VAL HGx% 1.0 . 3.28 1851 1603 A 35 GLY H A 30 VAL HGx% 1.0 . 4.22 1852 1604 A 34 GLY H A 30 VAL HGx% 1.0 . 3.54 1853 1605 A 113 GLN HE2x A 30 VAL HGx% 1.0 . 4.05 1854 1606 A 30 VAL HGx% A 113 GLN HA 1.0 . 4.07 1855 1607 A 30 VAL HGx% A 30 VAL HA 1.0 . 3.12 1856 1608 A 30 VAL HGx% A 32 ALA HA 1.0 . 5.14 1857 1609 A 34 GLY HAx A 30 VAL HGx% 1.0 . 3.54 1858 1610 A 113 GLN HBy A 30 VAL HGx% 1.0 . 3.86 1859 1611 A 30 VAL HGx% A 85 ILE HG2% 1.0 . 3.44 1860 1612 A 39 PHE HD% A 19 VAL HA 1.0 . 4.07 1861 1613 A 39 PHE HA A 19 VAL HA 1.0 . 3.51 1862 1614 A 40 ALA H A 19 VAL HA 1.0 . 4.18 1863 1615 A 12 ASP H A 11 ALA HB% 1.0 . 3.50 1864 1616 A 11 ALA HB% A 104 ASN HD2y 1.0 . 5.13 1865 1617 A 11 ALA HB% A 104 ASN HD2x 1.0 . 4.97 1866 1618 A 104 ASN HBy A 11 ALA HB% 1.0 . 3.74 1867 1619 A 11 ALA HB% A 104 ASN HBx 1.0 . 3.64 1868 1620 A 11 ALA HB% A 10 LEU HDx% 1.0 . 4.83 1869 1621 A 115 ALA HB% A 93 SER HA 1.0 . 4.31 1870 1622 A 93 SER HA A 92 ALA HB% 1.0 . 5.50 1871 1623 A 11 ALA H A 11 ALA HB% 1.0 . 3.05 1872 1624 A 105 ALA H A 11 ALA HB% 1.0 . 5.13 1873 1625 A 93 SER HA A 94 ARG H 1.0 . 2.89 1874 1626 A 88 ASN HD2x A 93 SER HA 1.0 . 4.26 1875 1627 A 93 SER HA A 114 ASP HA 1.0 . 3.51 1876 1628 A 88 ASN HD2y A 93 SER HA 1.0 . 4.45 1877 1629 A 93 SER HA A 94 ARG HGx 1.0 . 5.50 1878 1630 A 17 SER H A 42 LYS HA 1.0 . 4.68 1879 1631 A 42 LYS HA A 42 LYS HGx 1.0 . 3.25 1880 1631 A 42 LYS HA A 42 LYS HGy 1.0 . 3.25 1881 1632 A 57 LYS H A 55 GLU HA 1.0 . 4.70 1882 1633 A 96 PHE HA A 54 GLU HBy 1.0 . 4.72 1883 1634 A 55 GLU H A 96 PHE HA 1.0 . 4.87 1884 1635 A 96 PHE HA A 97 THR H 1.0 . 3.12 1885 1636 A 54 GLU HA A 96 PHE HA 1.0 . 3.38 1886 1637 A 79 ASN HD2y A 45 LYS HA 1.0 . 5.10 1887 1638 A 79 ASN HA A 45 LYS HA 1.0 . 4.61 1888 1639 A 79 ASN HBy A 45 LYS HA 1.0 . 3.77 1889 1640 A 79 ASN HBx A 45 LYS HA 1.0 . 3.37 1890 1641 A 45 LYS HGx A 45 LYS HA 1.0 . 3.60 1891 1642 A 56 GLY H A 55 GLU HA 1.0 . 3.27 1892 1643 A 37 SER H A 36 SER HA 1.0 . 2.86 1893 1644 A 84 ILE H A 36 SER HA 1.0 . 5.50 1894 1645 A 36 SER HA A 84 ILE HA 1.0 . 3.20 1895 1646 A 36 SER HA A 83 VAL HGy% 1.0 . 5.50 1896 1647 A 96 PHE HA A 53 LYS HGx 1.0 . 4.66 1897 1647 A 96 PHE HA A 53 LYS HGy 1.0 . 4.66 1898 1648 A 116 ALA HB% A 118 GLN HA 1.0 . 5.37 1899 1649 A 86 ASN H A 85 ILE HG2% 1.0 . 3.65 1900 1650 A 35 GLY H A 85 ILE HG2% 1.0 . 4.74 1901 1651 A 113 GLN HE2y A 85 ILE HG2% 1.0 . 3.63 1902 1652 A 86 ASN HA A 85 ILE HG2% 1.0 . 5.50 1903 1653 A 85 ILE HA A 85 ILE HG2% 1.0 . 3.51 1904 1654 A 85 ILE HG2% A 86 ASN HBx 1.0 . 4.96 1905 1655 A 113 GLN HBy A 85 ILE HG2% 1.0 . 4.31 1906 1656 A 83 VAL HGy% A 85 ILE HG2% 1.0 . 4.91 1907 1657 A 85 ILE H A 85 ILE HG2% 1.0 . 4.24 1908 1658 A 113 GLN HE2x A 85 ILE HG2% 1.0 . 4.10 1909 1659 A 72 TYR HD% A 85 ILE HG2% 1.0 . 5.50 1910 1660 A 72 TYR HA A 85 ILE HG2% 1.0 . 4.75 1911 1661 A 34 GLY HAy A 85 ILE HG2% 1.0 . 4.43 1912 1662 A 34 GLY HAx A 85 ILE HG2% 1.0 . 4.07 1913 1663 A 96 PHE HA A 95 SER HA 1.0 . 4.87 1914 1664 A 113 GLN H A 95 SER HA 1.0 . 4.01 1915 1665 A 112 VAL H A 95 SER HA 1.0 . 5.29 1916 1666 A 96 PHE H A 95 SER HA 1.0 . 3.01 1917 1667 A 95 SER HA A 71 TRP HZ2 1.0 . 5.26 1918 1668 A 96 PHE HD% A 95 SER HA 1.0 . 4.92 1919 1669 A 112 VAL HA A 95 SER HA 1.0 . 3.55 1920 1670 A 95 SER HA A 94 ARG HBx 1.0 . 4.67 1921 1670 A 94 ARG HBy A 95 SER HA 1.0 . 4.67 1922 1671 A 111 PHE HBy A 95 SER HA 1.0 . 5.50 1923 1672 A 37 SER HA A 36 SER HA 1.0 . 4.65 1924 1673 A 85 ILE H A 36 SER HA 1.0 . 3.79 1925 1674 A 88 ASN HA A 87 ARG HA 1.0 . 4.54 1926 1675 A 88 ASN H A 87 ARG HA 1.0 . 2.97 1927 1676 A 114 ASP HBy A 31 GLU HA 1.0 . 5.09 1928 1677 A 32 ALA H A 31 GLU HA 1.0 . 2.85 1929 1678 A 33 GLU H A 31 GLU HA 1.0 . 4.38 1930 1679 A 114 ASP H A 31 GLU HA 1.0 . 4.61 1931 1680 A 30 VAL HA A 31 GLU HA 1.0 . 4.30 1932 1681 A 114 ASP HBx A 31 GLU HA 1.0 . 2.80 1933 1682 A 78 ASP H A 78 ASP HA 1.0 . 2.88 1934 1683 A 78 ASP HA A 77 GLU HA 1.0 . 4.34 1935 1684 A 78 ASP HA A 78 ASP HBx 1.0 . 3.01 1936 1684 A 78 ASP HA A 78 ASP HBy 1.0 . 3.01 1937 1685 A 76 ILE HG2% A 78 ASP HA 1.0 . 5.34 1938 1686 A 113 GLN HE2x A 87 ARG HA 1.0 . 4.32 1939 1687 A 113 GLN HE2y A 87 ARG HA 1.0 . 3.81 1940 1688 A 87 ARG HA A 87 ARG HGx 1.0 . 3.88 1941 1689 A 116 ALA HB% A 117 LYS H 1.0 . 3.19 1942 1690 A 116 ALA HB% A 116 ALA H 1.0 . 2.80 1943 1691 A 116 ALA HB% A 89 GLU HA 1.0 . 3.40 1944 1692 A 116 ALA HB% A 115 ALA HA 1.0 . 3.97 1945 1693 A 100 VAL H A 99 CYS HA 1.0 . 3.03 1946 1694 A 99 CYS HA A 108 GLU HBx 1.0 . 4.05 1947 1694 A 108 GLU HBy A 99 CYS HA 1.0 . 4.05 1948 1695 A 100 VAL HGy% A 99 CYS HA 1.0 . 4.52 1949 1696 A 100 VAL HGx% A 99 CYS HA 1.0 . 5.15 1950 1697 A 60 GLU HA A 60 GLU HGx 1.0 . 3.53 1951 1698 A 16 TRP HA A 17 SER HA 1.0 . 5.16 1952 1699 A 61 ASN H A 60 GLU HA 1.0 . 2.81 1953 1700 A 14 MET H A 14 MET HE% 1.0 . 4.64 1954 1701 A 47 PHE HBy A 14 MET HE% 1.0 . 3.28 1955 1702 A 102 ALA HB% A 14 MET HE% 1.0 . 3.41 1956 1703 A 107 ASP H A 106 PHE HA 1.0 . 3.07 1957 1704 A 106 PHE HA A 101 GLU HA 1.0 . 3.31 1958 1705 A 101 GLU HBx A 106 PHE HA 1.0 . 5.38 1959 1706 A 100 VAL HGy% A 106 PHE HA 1.0 . 4.85 1960 1707 A 48 TRP HA A 47 PHE HA 1.0 . 5.34 1961 1708 A 42 LYS H A 16 TRP HA 1.0 . 3.51 1962 1709 A 17 SER H A 16 TRP HA 1.0 . 3.12 1963 1710 A 16 TRP HA A 16 TRP HE3 1.0 . 4.37 1964 1711 A 41 CYS HA A 16 TRP HA 1.0 . 3.43 1965 1712 A 19 VAL HGx% A 16 TRP HA 1.0 . 4.97 1966 1713 A 41 CYS HBx A 16 TRP HA 1.0 . 4.70 1967 1714 A 48 TRP H A 47 PHE HA 1.0 . 3.36 1968 1715 A 47 PHE HD% A 46 SER HA 1.0 . 4.53 1969 1716 A 47 PHE H A 46 SER HA 1.0 . 2.97 1970 1717 A 116 ALA HB% A 117 LYS HA 1.0 . 5.03 1971 1718 A 118 GLN H A 117 LYS HA 1.0 . 2.50 1972 1719 A 116 ALA HA A 117 LYS HA 1.0 . 4.39 1973 1720 A 117 LYS HA A 118 GLN HGx 1.0 . 5.18 1974 1720 A 118 GLN HGy A 117 LYS HA 1.0 . 5.18 1975 1721 A 117 LYS HA A 117 LYS HGx 1.0 . 3.48 1976 1721 A 117 LYS HGy A 117 LYS HA 1.0 . 3.48 1977 1722 A 106 PHE HA A 106 PHE HD% 1.0 . 4.52 1978 1723 A 76 ILE HB A 48 TRP HA 1.0 . 4.97 1979 1724 A 49 ILE H A 48 TRP HA 1.0 . 3.37 1980 1725 A 49 ILE HG1x A 48 TRP HA 1.0 . 4.96 1981 1726 A 16 TRP HA A 42 LYS HBy 1.0 . 5.36 1982 1727 A 27 GLU H A 23 LEU HA 1.0 . 4.81 1983 1728 A 28 LEU H A 23 LEU HA 1.0 . 5.42 1984 1729 A 24 LYS H A 23 LEU HA 1.0 . 2.90 1985 1730 A 26 GLY H A 24 LYS HA 1.0 . 4.32 1986 1731 A 84 ILE H A 84 ILE HG2% 1.0 . 3.88 1987 1732 A 84 ILE HG2% A 85 ILE H 1.0 . 3.33 1988 1733 A 84 ILE HG2% A 36 SER HA 1.0 . 3.97 1989 1734 A 84 ILE HG2% A 84 ILE HA 1.0 . 3.16 1990 1735 A 84 ILE HG2% A 36 SER HBx 1.0 . 3.94 1991 1735 A 84 ILE HG2% A 36 SER HBy 1.0 . 3.94 1992 1736 A 84 ILE HG2% A 84 ILE HG1x 1.0 . 3.22 1993 1737 A 84 ILE HG2% A 86 ASN HA 1.0 . 4.85 1994 1738 A 19 VAL HGy% A 19 VAL H 1.0 . 3.00 1995 1739 A 19 VAL HGy% A 18 LYS HA 1.0 . 4.39 1996 1740 A 19 VAL HGy% A 19 VAL HA 1.0 . 3.86 1997 1741 A 16 TRP HBy A 19 VAL HGy% 1.0 . 5.09 1998 1742 A 16 TRP HBx A 19 VAL HGy% 1.0 . 4.21 1999 1743 A 19 VAL HGy% A 20 PRO HDy 1.0 . 4.67 2000 1744 A 100 VAL HGy% A 100 VAL H 1.0 . 3.12 2001 1745 A 100 VAL HGy% A 101 GLU H 1.0 . 5.07 2002 1746 A 100 VAL HGy% A 100 VAL HA 1.0 . 3.64 2003 1747 A 107 ASP HBy A 100 VAL HGy% 1.0 . 4.34 2004 1748 A 100 VAL HGy% A 81 LEU HDy% 1.0 . 5.19 2005 1749 A 25 ASN H A 24 LYS HA 1.0 . 3.49 2006 1750 A 24 LYS HA A 25 ASN HBx 1.0 . 4.45 2007 1751 A 113 GLN HE2x A 32 ALA HA 1.0 . 3.67 2008 1752 A 113 GLN HE2y A 32 ALA HA 1.0 . 4.50 2009 1753 A 114 ASP H A 32 ALA HA 1.0 . 4.93 2010 1754 A 32 ALA H A 32 ALA HB% 1.0 . 2.96 2011 1755 A 32 ALA HB% A 31 GLU HA 1.0 . 4.19 2012 1756 A 32 ALA HB% A 87 ARG HGx 1.0 . 3.92 2013 1757 A 116 ALA HB% A 32 ALA HB% 1.0 . 3.98 2014 1758 A 32 ALA HA A 31 GLU HGx 1.0 . 4.71 2015 1759 A 113 GLN HGx A 32 ALA HA 1.0 . 4.78 2016 1760 A 32 ALA HB% A 117 LYS H 1.0 . 3.79 2017 1761 A 32 ALA HB% A 116 ALA H 1.0 . 4.11 2018 1762 A 32 ALA HB% A 88 ASN HD2y 1.0 . 5.50 2019 1763 A 113 GLN HE2x A 32 ALA HB% 1.0 . 4.83 2020 1764 A 88 ASN HBy A 32 ALA HB% 1.0 . 4.07 2021 1765 A 32 ALA HB% A 114 ASP HBy 1.0 . 4.18 2022 1766 A 32 ALA HB% A 114 ASP HBx 1.0 . 3.53 2023 1767 A 49 ILE HG2% A 100 VAL HA 1.0 . 4.72 2024 1768 A 81 LEU H A 80 GLU HA 1.0 . 3.00 2025 1769 A 80 GLU HGx A 80 GLU HA 1.0 . 3.83 2026 1770 A 40 ALA HB% A 80 GLU HA 1.0 . 4.56 2027 1771 A 80 GLU HA A 38 LEU HDy% 1.0 . 4.90 2028 1772 A 39 PHE HBy A 80 GLU HA 1.0 . 5.06 2029 1773 A 67 PHE H A 75 LYS HA 1.0 . 4.31 2030 1774 A 76 ILE H A 75 LYS HA 1.0 . 2.88 2031 1775 A 67 PHE HBy A 49 ILE HG2% 1.0 . 4.58 2032 1776 A 50 SER H A 49 ILE HG2% 1.0 . 3.74 2033 1777 A 49 ILE HG2% A 51 SER H 1.0 . 3.62 2034 1778 A 61 ASN HD2y A 49 ILE HG2% 1.0 . 4.93 2035 1779 A 49 ILE HG2% A 61 ASN HD2x 1.0 . 4.88 2036 1780 A 50 SER HA A 49 ILE HG2% 1.0 . 3.85 2037 1781 A 49 ILE HA A 49 ILE HG2% 1.0 . 3.41 2038 1782 A 52 VAL H A 49 ILE HG2% 1.0 . 4.75 2039 1783 A 66 GLU HA A 67 PHE HBx 1.0 . 5.50 2040 1784 A 66 GLU HGx A 75 LYS HA 1.0 . 3.91 2041 1785 A 75 LYS HA A 75 LYS HGx 1.0 . 3.87 2042 1785 A 75 LYS HGy A 75 LYS HA 1.0 . 3.87 2043 1786 A 74 VAL HGx% A 75 LYS HA 1.0 . 4.58 2044 1787 A 110 LYS H A 109 PHE HA 1.0 . 2.95 2045 1788 A 109 PHE HA A 110 LYS HBx 1.0 . 4.43 2046 1788 A 110 LYS HBy A 109 PHE HA 1.0 . 4.43 2047 1789 A 30 VAL H A 29 LYS HA 1.0 . 2.80 2048 1790 A 112 VAL H A 29 LYS HA 1.0 . 3.95 2049 1791 A 112 VAL HGx% A 29 LYS HA 1.0 . 4.95 2050 1792 A 74 VAL HA A 66 GLU HA 1.0 . 5.27 2051 1793 A 66 GLU HA A 74 VAL HGx% 1.0 . 5.12 2052 1794 A 66 GLU HA A 67 PHE H 1.0 . 2.93 2053 1795 A 66 GLU HA A 66 GLU HBx 1.0 . 3.01 2054 1795 A 66 GLU HA A 66 GLU HBy 1.0 . 3.01 2055 1796 A 66 GLU HA A 49 ILE HG1x 1.0 . 3.91 2056 1797 A 86 ASN H A 71 TRP HA 1.0 . 3.92 2057 1798 A 77 GLU HA A 78 ASP HBx 1.0 . 4.63 2058 1798 A 78 ASP HBy A 77 GLU HA 1.0 . 4.63 2059 1799 A 78 ASP H A 77 GLU HA 1.0 . 2.85 2060 1800 A 76 ILE HG2% A 77 GLU HA 1.0 . 4.49 2061 1801 A 11 ALA HB% A 10 LEU HA 1.0 . 4.76 2062 1802 A 11 ALA H A 10 LEU HA 1.0 . 2.75 2063 1803 A 10 LEU HBx A 10 LEU HA 1.0 . 2.90 2064 1804 A 83 VAL H A 82 LYS HA 1.0 . 2.84 2065 1805 A 10 LEU HDy% A 10 LEU HA 1.0 . 3.30 2066 1806 A 40 ALA H A 39 PHE HA 1.0 . 2.88 2067 1807 A 18 LYS H A 39 PHE HA 1.0 . 5.17 2068 1808 A 39 PHE HD% A 39 PHE HA 1.0 . 4.12 2069 1809 A 20 PRO HDx A 39 PHE HA 1.0 . 4.29 2070 1810 A 19 VAL HGx% A 39 PHE HA 1.0 . 4.38 2071 1811 A 39 PHE HA A 38 LEU HG 1.0 . 4.11 2072 1812 A 16 TRP HE3 A 39 PHE HA 1.0 . 5.21 2073 1813 A 108 GLU HA A 100 VAL H 1.0 . 3.84 2074 1814 A 108 GLU HA A 109 PHE H 1.0 . 2.95 2075 1815 A 108 GLU HA A 99 CYS HA 1.0 . 3.32 2076 1816 A 108 GLU HA A 99 CYS HBx 1.0 . 4.63 2077 1817 A 95 SER H A 94 ARG HA 1.0 . 2.92 2078 1818 A 95 SER HA A 94 ARG HA 1.0 . 4.55 2079 1819 A 93 SER HBy A 94 ARG HA 1.0 . 5.05 2080 1820 A 94 ARG HA A 94 ARG HBx 1.0 . 3.00 2081 1820 A 94 ARG HBy A 94 ARG HA 1.0 . 3.00 2082 1821 A 58 PHE H A 57 LYS HA 1.0 . 2.83 2083 1822 A 57 LYS HA A 57 LYS HGx 1.0 . 3.46 2084 1822 A 57 LYS HGy A 57 LYS HA 1.0 . 3.46 2085 1823 A 37 SER HA A 38 LEU HA 1.0 . 5.34 2086 1824 A 8 ASP HA A 9 GLY H 1.0 . 3.55 2087 1825 A 8 ASP HA A 8 ASP HBy 1.0 . 3.01 2088 1826 A 115 ALA H A 114 ASP HA 1.0 . 2.67 2089 1827 A 114 ASP HA A 113 GLN HA 1.0 . 5.17 2090 1828 A 93 SER HBx A 114 ASP HA 1.0 . 3.93 2091 1829 A 78 ASP H A 76 ILE HG2% 1.0 . 4.68 2092 1830 A 77 GLU H A 76 ILE HG2% 1.0 . 3.25 2093 1831 A 76 ILE HG2% A 47 PHE H 1.0 . 4.28 2094 1832 A 76 ILE HA A 76 ILE HG2% 1.0 . 3.34 2095 1833 A 65 LYS HA A 76 ILE HG2% 1.0 . 3.82 2096 1834 A 76 ILE HG2% A 76 ILE HD1% 1.0 . 3.23 2097 1835 A 39 PHE HBy A 38 LEU HA 1.0 . 4.80 2098 1836 A 39 PHE H A 38 LEU HA 1.0 . 2.89 2099 1837 A 39 PHE HD% A 38 LEU HA 1.0 . 4.02 2100 1838 A 53 LYS HA A 58 PHE HA 1.0 . 3.49 2101 1839 A 53 LYS HA A 53 LYS HGx 1.0 . 3.58 2102 1839 A 53 LYS HGy A 53 LYS HA 1.0 . 3.58 2103 1840 A 54 GLU H A 53 LYS HA 1.0 . 2.95 2104 1841 A 115 ALA HB% A 114 ASP HA 1.0 . 3.95 2105 1842 A 72 TYR HA A 85 ILE HA 1.0 . 3.75 2106 1843 A 53 LYS HA A 58 PHE HE% 1.0 . 5.06 2107 1843 A 58 PHE HD% A 53 LYS HA 1.0 . 5.06 2108 1844 A 26 GLY H A 25 ASN HA 1.0 . 3.43 2109 1845 A 86 ASN H A 72 TYR HA 1.0 . 3.82 2110 1846 A 73 LEU H A 72 TYR HA 1.0 . 3.05 2111 1847 A 15 LYS HA A 16 TRP H 1.0 . 2.89 2112 1848 A 15 LYS HA A 15 LYS HGx 1.0 . 3.39 2113 1848 A 15 LYS HA A 15 LYS HGy 1.0 . 3.39 2114 1849 A 49 ILE H A 76 ILE HD1% 1.0 . 3.89 2115 1850 A 76 ILE H A 76 ILE HD1% 1.0 . 3.94 2116 1851 A 76 ILE HD1% A 48 TRP HA 1.0 . 3.44 2117 1852 A 76 ILE HA A 76 ILE HD1% 1.0 . 4.12 2118 1853 A 65 LYS HA A 76 ILE HD1% 1.0 . 3.66 2119 1854 A 49 ILE HA A 49 ILE HD1% 1.0 . 4.84 2120 1855 A 76 ILE HD1% A 49 ILE HG1y 1.0 . 3.64 2121 1856 A 81 LEU HDx% A 76 ILE HD1% 1.0 . 4.19 2122 1857 A 113 GLN HE2x A 113 GLN HA 1.0 . 5.31 2123 1858 A 28 LEU H A 27 GLU HA 1.0 . 2.95 2124 1859 A 110 LYS H A 27 GLU HA 1.0 . 3.65 2125 1860 A 27 GLU HA A 110 LYS HBx 1.0 . 3.46 2126 1860 A 110 LYS HBy A 27 GLU HA 1.0 . 3.46 2127 1861 A 72 TYR HA A 71 TRP HE3 1.0 . 5.14 2128 1862 A 73 LEU HA A 68 ASP HA 1.0 . 3.59 2129 1863 A 30 VAL H A 113 GLN HA 1.0 . 3.76 2130 1864 A 114 ASP H A 113 GLN HA 1.0 . 3.07 2131 1865 A 80 GLU H A 79 ASN HA 1.0 . 3.43 2132 1866 A 45 LYS HGx A 79 ASN HA 1.0 . 4.19 2133 1867 A 82 LYS H A 81 LEU HA 1.0 . 2.97 2134 1868 A 81 LEU HA A 82 LYS HBx 1.0 . 4.86 2135 1868 A 82 LYS HBy A 81 LEU HA 1.0 . 4.86 2136 1869 A 76 ILE HG1x A 81 LEU HA 1.0 . 3.92 2137 1870 A 76 ILE HG2% A 81 LEU HA 1.0 . 4.78 2138 1871 A 60 GLU H A 59 LYS HA 1.0 . 2.91 2139 1872 A 59 LYS HA A 59 LYS HGy 1.0 . 3.60 2140 1872 A 59 LYS HGx A 59 LYS HA 1.0 . 3.60 2141 1873 A 62 THR H A 61 ASN HA 1.0 . 3.13 2142 1874 A 62 THR HG2% A 61 ASN HA 1.0 . 4.89 2143 1875 A 104 ASN HD2y A 104 ASN HA 1.0 . 3.34 2144 1876 A 108 GLU H A 107 ASP HA 1.0 . 2.92 2145 1877 A 28 LEU HA A 23 LEU HA 1.0 . 3.71 2146 1878 A 85 ILE H A 85 ILE HD1% 1.0 . 4.44 2147 1879 A 35 GLY H A 85 ILE HD1% 1.0 . 4.25 2148 1880 A 111 PHE HD% A 85 ILE HD1% 1.0 . 3.77 2149 1881 A 85 ILE HA A 85 ILE HD1% 1.0 . 4.10 2150 1882 A 85 ILE HD1% A 30 VAL HA 1.0 . 5.22 2151 1883 A 85 ILE HB A 85 ILE HD1% 1.0 . 3.04 2152 1884 A 85 ILE HD1% A 85 ILE HG2% 1.0 . 3.18 2153 1885 A 30 VAL HGx% A 85 ILE HD1% 1.0 . 3.39 2154 1886 A 83 VAL HGy% A 85 ILE HD1% 1.0 . 3.55 2155 1887 A 29 LYS H A 28 LEU HA 1.0 . 2.82 2156 1888 A 28 LEU HBx A 28 LEU HA 1.0 . 2.93 2157 1889 A 115 ALA HB% A 116 ALA HA 1.0 . 5.02 2158 1890 A 117 LYS H A 116 ALA HA 1.0 . 2.59 2159 1891 A 32 ALA HB% A 116 ALA HA 1.0 . 3.17 2160 1892 A 32 ALA H A 116 ALA HA 1.0 . 5.01 2161 1893 A 6 ASP HA A 7 PRO HDx 1.0 . 2.75 2162 1893 A 7 PRO HDy A 6 ASP HA 1.0 . 2.75 2163 1894 A 69 GLY H A 68 ASP HA 1.0 . 2.97 2164 1895 A 74 VAL H A 68 ASP HA 1.0 . 4.31 2165 1896 A 73 LEU HDx% A 68 ASP HA 1.0 . 3.74 2166 1897 A 70 GLY H A 68 ASP HA 1.0 . 4.18 2167 1898 A 84 ILE H A 84 ILE HD1% 1.0 . 3.94 2168 1899 A 36 SER HA A 84 ILE HD1% 1.0 . 4.60 2169 1900 A 83 VAL HA A 84 ILE HD1% 1.0 . 4.58 2170 1901 A 84 ILE HA A 84 ILE HD1% 1.0 . 4.09 2171 1902 A 84 ILE HD1% A 36 SER HBx 1.0 . 3.81 2172 1902 A 36 SER HBy A 84 ILE HD1% 1.0 . 3.81 2173 1903 A 84 ILE HD1% A 75 LYS HEx 1.0 . 3.93 2174 1903 A 75 LYS HEy A 84 ILE HD1% 1.0 . 3.93 2175 1904 A 84 ILE HB A 84 ILE HD1% 1.0 . 3.08 2176 1905 A 12 ASP H A 11 ALA HA 1.0 . 2.72 2177 1906 A 104 ASN HBx A 11 ALA HA 1.0 . 4.53 2178 1907 A 116 ALA H A 115 ALA HA 1.0 . 2.79 2179 1908 A 88 ASN HD2y A 115 ALA HA 1.0 . 3.48 2180 1909 A 88 ASN HD2x A 115 ALA HA 1.0 . 3.47 2181 1910 A 115 ALA HA A 91 ASN HA 1.0 . 4.17 2182 1911 A 115 ALA HA A 93 SER HA 1.0 . 4.23 2183 1912 A 115 ALA HA A 114 ASP HA 1.0 . 5.01 2184 1913 A 88 ASN HBy A 115 ALA HA 1.0 . 4.68 2185 1914 A 88 ASN HBx A 115 ALA HA 1.0 . 4.76 2186 1915 A 32 ALA HB% A 115 ALA HA 1.0 . 4.80 2187 1916 A 105 ALA HA A 106 PHE HBx 1.0 . 4.51 2188 1916 A 106 PHE HBy A 105 ALA HA 1.0 . 4.51 2189 1917 A 106 PHE H A 105 ALA HA 1.0 . 2.80 2190 1918 A 11 ALA HB% A 105 ALA HA 1.0 . 4.38 2191 1919 A 41 CYS H A 40 ALA HA 1.0 . 2.95 2192 1920 A 80 GLU H A 40 ALA HA 1.0 . 5.43 2193 1921 A 80 GLU HGy A 40 ALA HA 1.0 . 5.20 2194 1922 A 80 GLU HGx A 40 ALA HA 1.0 . 4.31 2195 1923 A 115 ALA HB% A 92 ALA HA 1.0 . 3.97 2196 1924 A 93 SER H A 92 ALA HA 1.0 . 2.77 2197 1925 A 12 ASP HA A 13 PRO HDy 1.0 . 3.06 2198 1926 A 6 ASP HBy A 7 PRO HDx 1.0 . 4.10 2199 1926 A 6 ASP HBy A 7 PRO HDy 1.0 . 4.10 2200 1927 A 10 LEU HDy% A 7 PRO HDx 1.0 . 5.50 2201 1927 A 7 PRO HDy A 10 LEU HDy% 1.0 . 5.50 2202 1928 A 12 ASP H A 13 PRO HDx 1.0 . 5.12 2203 1929 A 12 ASP HA A 13 PRO HDx 1.0 . 3.12 2204 1930 A 102 ALA HA A 103 GLY H 1.0 . 3.52 2205 1931 A 14 MET HE% A 102 ALA HA 1.0 . 5.12 2206 1932 A 37 SER HBy A 20 PRO HDy 1.0 . 5.30 2207 1933 A 39 PHE HE% A 20 PRO HDy 1.0 . 4.18 2208 1934 A 20 PRO HDy A 39 PHE HA 1.0 . 5.02 2209 1935 A 20 PRO HDy A 19 VAL HB 1.0 . 3.14 2210 1936 A 19 VAL HGx% A 20 PRO HDy 1.0 . 4.20 2211 1937 A 19 VAL H A 20 PRO HDy 1.0 . 5.50 2212 1938 A 23 LEU H A 20 PRO HDy 1.0 . 5.50 2213 1939 A 20 PRO HDx A 39 PHE H 1.0 . 5.50 2214 1940 A 20 PRO HDx A 19 VAL H 1.0 . 5.16 2215 1941 A 20 PRO HDx A 37 SER HBy 1.0 . 4.77 2216 1942 A 20 PRO HDx A 19 VAL HB 1.0 . 3.77 2217 1943 A 20 PRO HDx A 19 VAL HGx% 1.0 . 4.39 2218 1944 A 20 PRO HDx A 19 VAL HGy% 1.0 . 5.33 2219 1945 A 111 PHE HD% A 97 THR HA 1.0 . 4.13 2220 1946 A 111 PHE HD% A 28 LEU HBx 1.0 . 3.56 2221 1947 A 44 TYR HD% A 14 MET HGy 1.0 . 4.75 2222 1948 A 111 PHE HD% A 111 PHE H 1.0 . 3.02 2223 1949 A 111 PHE HD% A 98 VAL H 1.0 . 4.26 2224 1950 A 111 PHE HD% A 111 PHE HA 1.0 . 3.20 2225 1951 A 111 PHE HD% A 98 VAL HGy% 1.0 . 3.63 2226 1952 A 15 LYS H A 44 TYR HD% 1.0 . 3.47 2227 1953 A 44 TYR HD% A 44 TYR HA 1.0 . 3.22 2228 1954 A 14 MET HBx A 44 TYR HD% 1.0 . 3.47 2229 1955 A 44 TYR HD% A 14 MET HE% 1.0 . 3.29 2230 1956 A 102 ALA HB% A 44 TYR HD% 1.0 . 3.25 2231 1957 A 44 TYR HD% A 43 ASN HD2x 1.0 . 3.44 2232 1958 A 14 MET HA A 44 TYR HD% 1.0 . 3.27 2233 1959 A 64 TYR HD% A 49 ILE HB 1.0 . 4.69 2234 1960 A 64 TYR HD% A 64 TYR HA 1.0 . 2.80 2235 1961 A 64 TYR HD% A 49 ILE H 1.0 . 4.18 2236 1962 A 106 PHE HD% A 105 ALA HA 1.0 . 3.54 2237 1963 A 106 PHE HD% A 101 GLU HBy 1.0 . 4.27 2238 1964 A 105 ALA HB% A 106 PHE HD% 1.0 . 4.56 2239 1965 A 47 PHE HD% A 48 TRP H 1.0 . 3.60 2240 1966 A 47 PHE HD% A 14 MET HE% 1.0 . 3.59 2241 1967 A 47 PHE HD% A 47 PHE H 1.0 . 4.00 2242 1968 A 100 VAL HB A 47 PHE HD% 1.0 . 2.96 2243 1969 A 47 PHE HD% A 76 ILE HD1% 1.0 . 2.71 2244 1970 A 100 VAL HGy% A 47 PHE HD% 1.0 . 3.50 2245 1971 A 76 ILE HG2% A 47 PHE HD% 1.0 . 3.74 2246 1972 A 102 ALA HB% A 47 PHE HD% 1.0 . 3.78 2247 1973 A 39 PHE HD% A 19 VAL HB 1.0 . 3.84 2248 1974 A 81 LEU HDy% A 39 PHE HD% 1.0 . 3.42 2249 1975 A 47 PHE HD% A 76 ILE HG1y 1.0 . 5.31 2250 1976 A 39 PHE HD% A 20 PRO HDy 1.0 . 3.75 2251 1977 A 39 PHE HD% A 39 PHE H 1.0 . 2.90 2252 1978 A 39 PHE HD% A 19 VAL HGx% 1.0 . 2.81 2253 1979 A 58 PHE HD% A 53 LYS HBx 1.0 . 3.67 2254 1979 A 53 LYS HBy A 58 PHE HD% 1.0 . 3.67 2255 1980 A 58 PHE HD% A 57 LYS HA 1.0 . 4.15 2256 1981 A 58 PHE HD% A 53 LYS HEx 1.0 . 4.21 2257 1982 A 58 PHE HD% A 53 LYS HDx 1.0 . 3.86 2258 1982 A 53 LYS HDy A 58 PHE HD% 1.0 . 3.86 2259 1983 A 58 PHE HD% A 58 PHE H 1.0 . 3.19 2260 1984 A 58 PHE HD% A 58 PHE HA 1.0 . 3.23 2261 1985 A 96 PHE HD% A 97 THR H 1.0 . 4.18 2262 1986 A 96 PHE HD% A 72 TYR HD% 1.0 . 4.20 2263 1987 A 96 PHE HD% A 111 PHE HBy 1.0 . 4.17 2264 1988 A 96 PHE HD% A 52 VAL HGx% 1.0 . 3.60 2265 1989 A 96 PHE HD% A 98 VAL HGy% 1.0 . 3.39 2266 1990 A 96 PHE HD% A 96 PHE HA 1.0 . 4.12 2267 1991 A 68 ASP H A 67 PHE HE% 1.0 . 5.12 2268 1992 A 52 VAL HGy% A 67 PHE HE% 1.0 . 3.90 2269 1993 A 67 PHE HD% A 69 GLY HAy 1.0 . 4.69 2270 1994 A 67 PHE HD% A 69 GLY HAx 1.0 . 5.10 2271 1995 A 52 VAL HGy% A 67 PHE HD% 1.0 . 3.72 2272 1996 A 69 GLY HAy A 67 PHE HE% 1.0 . 3.83 2273 1997 A 52 VAL HGx% A 67 PHE HE% 1.0 . 3.65 2274 1998 A 62 THR HG2% A 67 PHE HE% 1.0 . 4.26 2275 1999 A 67 PHE HD% A 62 THR HG2% 1.0 . 3.90 2276 2000 A 68 ASP H A 67 PHE HD% 1.0 . 3.85 2277 2001 A 67 PHE HD% A 61 ASN HA 1.0 . 3.84 2278 2002 A 67 PHE HD% A 67 PHE HA 1.0 . 3.51 2279 2003 A 52 VAL HGx% A 67 PHE HD% 1.0 . 3.81 2280 2004 A 80 GLU HA A 47 PHE HE% 1.0 . 5.26 2281 2005 A 41 CYS HBx A 47 PHE HE% 1.0 . 3.56 2282 2006 A 81 LEU HBx A 47 PHE HE% 1.0 . 3.12 2283 2007 A 76 ILE HD1% A 47 PHE HE% 1.0 . 2.83 2284 2008 A 81 LEU HBy A 47 PHE HE% 1.0 . 3.48 2285 2009 A 81 LEU HDx% A 47 PHE HE% 1.0 . 3.42 2286 2010 A 81 LEU HDy% A 47 PHE HE% 1.0 . 4.03 2287 2011 A 76 ILE HG2% A 47 PHE HE% 1.0 . 3.76 2288 2012 A 109 PHE HD% A 111 PHE HE% 1.0 . 4.07 2289 2013 A 109 PHE HD% A 109 PHE H 1.0 . 3.81 2290 2014 A 109 PHE HD% A 109 PHE HA 1.0 . 3.36 2291 2015 A 109 PHE HD% A 28 LEU HDy% 1.0 . 3.46 2292 2016 A 81 LEU HDy% A 109 PHE HD% 1.0 . 3.57 2293 2017 A 109 PHE HD% A 23 LEU HDy% 1.0 . 3.65 2294 2018 A 109 PHE HE% A 16 TRP HZ2 1.0 . 4.72 2295 2019 A 109 PHE HE% A 23 LEU HDy% 1.0 . 3.48 2296 2020 A 109 PHE HE% A 81 LEU HDy% 1.0 . 3.74 2297 2021 A 109 PHE HE% A 100 VAL HGy% 1.0 . 3.69 2298 2022 A 58 PHE HE% A 53 LYS HGx 1.0 . 5.14 2299 2022 A 53 LYS HGy A 58 PHE HE% 1.0 . 5.14 2300 2023 A 58 PHE HE% A 53 LYS HDx 1.0 . 4.08 2301 2023 A 53 LYS HDy A 58 PHE HE% 1.0 . 4.08 2302 2024 A 39 PHE HE% A 39 PHE H 1.0 . 5.03 2303 2025 A 39 PHE HE% A 38 LEU HA 1.0 . 5.29 2304 2026 A 81 LEU HDy% A 39 PHE HE% 1.0 . 3.85 2305 2027 A 39 PHE HE% A 37 SER HBy 1.0 . 3.52 2306 2028 A 39 PHE HE% A 19 VAL HB 1.0 . 3.67 2307 2029 A 39 PHE HE% A 20 PRO HGx 1.0 . 3.39 2308 2029 A 39 PHE HE% A 20 PRO HGy 1.0 . 3.39 2309 2030 A 39 PHE HE% A 23 LEU HDy% 1.0 . 2.94 2310 2031 A 39 PHE HE% A 20 PRO HDx 1.0 . 3.86 2311 2032 A 39 PHE HE% A 28 LEU HDy% 1.0 . 3.34 2312 2033 A 111 PHE HE% A 83 VAL HGy% 1.0 . 4.15 2313 2034 A 98 VAL H A 111 PHE HE% 1.0 . 4.30 2314 2035 A 98 VAL HGx% A 111 PHE HE% 1.0 . 3.54 2315 2036 A 111 PHE H A 111 PHE HE% 1.0 . 5.20 2316 2037 A 83 VAL HGy% A 72 TYR HE% 1.0 . 3.37 2317 2038 A 72 TYR HE% A 85 ILE HG2% 1.0 . 3.99 2318 2039 A 85 ILE HD1% A 72 TYR HE% 1.0 . 2.92 2319 2040 A 39 PHE HE% A 82 LYS HA 1.0 . 4.56 2320 2041 A 72 TYR HE% A 98 VAL HGy% 1.0 . 3.20 2321 2042 A 81 LEU H A 47 PHE HZ 1.0 . 3.79 2322 2043 A 47 PHE HZ A 80 GLU HA 1.0 . 4.67 2323 2044 A 47 PHE HZ A 81 LEU HBx 1.0 . 3.56 2324 2045 A 76 ILE HG1x A 47 PHE HZ 1.0 . 3.96 2325 2046 A 81 LEU HDx% A 47 PHE HZ 1.0 . 4.36 2326 2047 A 76 ILE HG2% A 47 PHE HZ 1.0 . 3.88 2327 2048 A 16 TRP HA A 16 TRP HD1 1.0 . 4.91 2328 2049 A 15 LYS HA A 16 TRP HD1 1.0 . 3.43 2329 2050 A 16 TRP H A 16 TRP HD1 1.0 . 3.03 2330 2051 A 16 TRP HBx A 16 TRP HD1 1.0 . 3.21 2331 2052 A 109 PHE HZ A 107 ASP HBx 1.0 . 4.59 2332 2053 A 19 VAL HGx% A 16 TRP HD1 1.0 . 3.76 2333 2054 A 71 TRP HA A 71 TRP HD1 1.0 . 4.32 2334 2055 A 70 GLY HAx A 71 TRP HD1 1.0 . 4.87 2335 2056 A 71 TRP HBx A 71 TRP HD1 1.0 . 3.38 2336 2057 A 85 ILE HD1% A 72 TYR HD% 1.0 . 3.18 2337 2058 A 52 VAL HGx% A 72 TYR HD% 1.0 . 4.15 2338 2059 A 71 TRP HZ3 A 72 TYR HD% 1.0 . 4.53 2339 2060 A 39 PHE HZ A 20 PRO HGx 1.0 . 3.73 2340 2060 A 20 PRO HGy A 39 PHE HZ 1.0 . 3.73 2341 2061 A 28 LEU HDy% A 39 PHE HZ 1.0 . 3.62 2342 2062 A 20 PRO HDy A 39 PHE HZ 1.0 . 4.91 2343 2063 A 20 PRO HDx A 39 PHE HZ 1.0 . 5.11 2344 2064 A 49 ILE H A 48 TRP HD1 1.0 . 4.32 2345 2065 A 48 TRP HD1 A 48 TRP HA 1.0 . 4.61 2346 2066 A 48 TRP HBy A 48 TRP HD1 1.0 . 3.46 2347 2067 A 96 PHE HD% A 71 TRP HH2 1.0 . 3.14 2348 2068 A 71 TRP HH2 A 95 SER HA 1.0 . 3.60 2349 2069 A 94 ARG HGx A 71 TRP HH2 1.0 . 3.84 2350 2070 A 96 PHE H A 71 TRP HH2 1.0 . 4.52 2351 2071 A 86 ASN H A 71 TRP HE3 1.0 . 4.16 2352 2072 A 71 TRP HBy A 71 TRP HE3 1.0 . 3.46 2353 2073 A 71 TRP HE3 A 85 ILE HG2% 1.0 . 2.93 2354 2074 A 41 CYS HBx A 16 TRP HH2 1.0 . 4.65 2355 2075 A 81 LEU HBy A 16 TRP HH2 1.0 . 4.22 2356 2076 A 81 LEU HDy% A 16 TRP HH2 1.0 . 4.04 2357 2077 A 14 MET HE% A 16 TRP HH2 1.0 . 3.43 2358 2078 A 100 VAL HGy% A 16 TRP HH2 1.0 . 3.22 2359 2079 A 100 VAL HGx% A 16 TRP HH2 1.0 . 4.58 2360 2080 A 16 TRP HZ3 A 14 MET HE% 1.0 . 5.11 2361 2081 A 47 PHE HA A 48 TRP HZ3 1.0 . 4.48 2362 2082 A 94 ARG HGx A 71 TRP HZ3 1.0 . 4.48 2363 2083 A 102 ALA HA A 48 TRP HE3 1.0 . 5.09 2364 2084 A 85 ILE HD1% A 71 TRP HZ3 1.0 . 3.97 2365 2085 A 96 PHE HD% A 71 TRP HZ3 1.0 . 3.76 2366 2086 A 71 TRP HZ3 A 85 ILE HG2% 1.0 . 3.00 2367 2087 A 81 LEU H A 16 TRP HZ3 1.0 . 3.51 2368 2088 A 39 PHE HBy A 16 TRP HZ3 1.0 . 3.94 2369 2089 A 41 CYS HBx A 16 TRP HZ3 1.0 . 3.60 2370 2090 A 16 TRP HZ3 A 39 PHE HBx 1.0 . 3.98 2371 2091 A 81 LEU HDy% A 16 TRP HZ3 1.0 . 4.38 2372 2092 A 48 TRP H A 48 TRP HE3 1.0 . 4.38 2373 2093 A 81 LEU HBy A 16 TRP HZ3 1.0 . 4.29 2374 2094 A 47 PHE HA A 48 TRP HE3 1.0 . 4.07 2375 2095 A 16 TRP HZ3 A 40 ALA HA 1.0 . 5.13 2376 2096 A 16 TRP HBy A 16 TRP HE3 1.0 . 3.48 2377 2097 A 41 CYS HBx A 16 TRP HE3 1.0 . 4.04 2378 2098 A 40 ALA HB% A 16 TRP HE3 1.0 . 4.62 2379 2099 A 41 CYS HA A 16 TRP HE3 1.0 . 3.61 2380 2100 A 39 PHE HBx A 16 TRP HE3 1.0 . 3.34 2381 2101 A 40 ALA H A 16 TRP HE3 1.0 . 3.31 2382 2102 A 39 PHE HD% A 16 TRP HE3 1.0 . 4.50 2383 2103 A 48 TRP HE1 A 64 TYR HE% 1.0 . 4.72 2384 2104 A 14 MET H A 44 TYR HE% 1.0 . 4.71 2385 2105 A 44 TYR HE% A 14 MET HGy 1.0 . 4.07 2386 2106 A 14 MET HA A 44 TYR HE% 1.0 . 2.99 2387 2107 A 44 TYR HE% A 102 ALA HB% 1.0 . 3.89 2388 2108 A 101 GLU HBx A 48 TRP HZ2 1.0 . 5.13 2389 2109 A 96 PHE HD% A 71 TRP HZ2 1.0 . 3.60 2390 2110 A 95 SER H A 71 TRP HZ2 1.0 . 4.33 2391 2111 A 14 MET HE% A 16 TRP HZ2 1.0 . 3.26 2392 2112 A 107 ASP HBx A 16 TRP HZ2 1.0 . 3.44 2393 2113 A 14 MET HBy A 16 TRP HZ2 1.0 . 4.09 2394 2114 A 71 TRP HZ2 A 94 ARG HBx 1.0 . 3.50 2395 2114 A 94 ARG HBy A 71 TRP HZ2 1.0 . 3.50 2396 2115 A 54 GLU HBx A 71 TRP HZ2 1.0 . 4.74 2397 2116 A 109 PHE HZ A 16 TRP HZ2 1.0 . 4.02 2398 2117 A 107 ASP HBy A 16 TRP HZ2 1.0 . 3.82 2399 2118 A 100 VAL HGy% A 16 TRP HZ2 1.0 . 3.06 2400 2119 A 94 ARG HGx A 71 TRP HZ2 1.0 . 4.18 stop_ save_