data_nef_c25790_2n72 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 25791 PDB 2N72 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 MET start . . 2 A 2 GLN middle . . 3 A 3 GLN middle . . 4 A 4 LYS middle . . 5 A 5 GLN middle . . 6 A 6 GLN middle . . 7 A 7 ILE middle . . 8 A 8 MET middle . . 9 A 9 ALA middle . . 10 A 10 ALA middle . . 11 A 11 LEU middle . . 12 A 12 ASN middle . . 13 A 13 SER middle . . 14 A 14 GLN middle . . 15 A 15 THR middle . . 16 A 16 ALA middle . . 17 A 17 VAL middle . . 18 A 18 GLN middle . . 19 A 19 PHE middle . . 20 A 20 GLN middle . . 21 A 21 GLN middle . . 22 A 22 TYR middle . . 23 A 23 ALA middle . . 24 A 24 ALA middle . . 25 A 25 GLN middle . . 26 A 26 GLN middle . . 27 A 27 TYR middle . . 28 A 28 PRO middle . false 29 A 29 GLY middle . false 30 A 30 ASN middle . . 31 A 31 TYR middle . . 32 A 32 GLU middle . . 33 A 33 GLN middle . . 34 A 34 GLN middle . . 35 A 35 GLN middle . . 36 A 36 ILE middle . . 37 A 37 LEU middle . . 38 A 38 ILE middle . . 39 A 39 ARG middle . . 40 A 40 GLN middle . . 41 A 41 LEU middle . . 42 A 42 GLN middle . . 43 A 43 GLU middle . . 44 A 44 GLN middle . . 45 A 45 HIS middle . . 46 A 46 TYR middle . . 47 A 47 GLN middle . . 48 A 48 GLN middle . . 49 A 49 TYR middle . . 50 A 50 MET middle . . 51 A 51 GLN middle . . 52 A 52 GLN middle . . 53 A 53 LEU middle . . 54 A 54 TYR middle . . 55 A 55 GLN middle . . 56 A 56 VAL middle . . 57 A 57 GLN middle . . 58 A 58 LEU middle . . 59 A 59 ALA middle . . 60 A 60 GLN middle . . 61 A 61 GLN middle . . 62 A 62 GLN middle . . 63 A 63 ALA middle . . 64 A 64 ALA middle . . 65 A 65 LEU middle . . 66 A 66 GLN middle . . 67 A 67 LYS middle . . 68 A 68 GLN middle . . 69 A 69 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 2 GLN HA H 1 4.447 0.015 A 2 GLN HBy H 1 2.217 0.015 A 2 GLN HBx H 1 2.063 0.015 A 2 GLN HGx H 1 2.468 0.015 A 2 GLN HGy H 1 2.468 0.015 A 2 GLN C C 13 176.144 0.150 A 2 GLN CA C 13 56.209 0.150 A 2 GLN CB C 13 29.459 0.150 A 2 GLN CG C 13 34.052 0.150 A 3 GLN H H 1 8.780 0.015 A 3 GLN HA H 1 4.323 0.015 A 3 GLN HBy H 1 2.226 0.015 A 3 GLN HBx H 1 2.085 0.015 A 3 GLN HGy H 1 2.457 0.015 A 3 GLN HGx H 1 2.419 0.015 A 3 GLN C C 13 176.988 0.150 A 3 GLN CA C 13 57.403 0.150 A 3 GLN CB C 13 29.239 0.150 A 3 GLN CG C 13 34.053 0.150 A 3 GLN N N 15 122.052 0.150 A 4 LYS H H 1 8.528 0.015 A 4 LYS HA H 1 4.004 0.015 A 4 LYS HBy H 1 1.891 0.015 A 4 LYS HBx H 1 1.728 0.015 A 4 LYS HDx H 1 1.547 0.015 A 4 LYS HDy H 1 1.547 0.015 A 4 LYS HEy H 1 2.727 0.015 A 4 LYS HEx H 1 2.547 0.015 A 4 LYS HGy H 1 0.995 0.015 A 4 LYS HGx H 1 0.921 0.015 A 4 LYS C C 13 177.638 0.150 A 4 LYS CA C 13 60.239 0.150 A 4 LYS CB C 13 32.699 0.150 A 4 LYS CD C 13 29.925 0.150 A 4 LYS CE C 13 42.186 0.150 A 4 LYS CG C 13 24.650 0.150 A 4 LYS N N 15 121.855 0.150 A 5 GLN H H 1 8.223 0.015 A 5 GLN HA H 1 3.941 0.015 A 5 GLN HBy H 1 2.122 0.015 A 5 GLN HBx H 1 2.070 0.015 A 5 GLN HGx H 1 2.442 0.015 A 5 GLN HGy H 1 2.442 0.015 A 5 GLN C C 13 178.761 0.150 A 5 GLN CA C 13 59.349 0.150 A 5 GLN CB C 13 27.950 0.150 A 5 GLN CG C 13 34.207 0.150 A 5 GLN N N 15 116.397 0.150 A 6 GLN H H 1 7.848 0.015 A 6 GLN HA H 1 4.128 0.015 A 6 GLN HBy H 1 2.249 0.015 A 6 GLN HBx H 1 2.168 0.015 A 6 GLN HGx H 1 2.427 0.015 A 6 GLN HGy H 1 2.427 0.015 A 6 GLN C C 13 179.018 0.150 A 6 GLN CA C 13 59.089 0.150 A 6 GLN CB C 13 28.710 0.150 A 6 GLN CG C 13 34.239 0.150 A 6 GLN N N 15 119.262 0.150 A 7 ILE H H 1 8.095 0.015 A 7 ILE HA H 1 3.583 0.015 A 7 ILE HB H 1 2.110 0.015 A 7 ILE HD1% H 1 1.006 0.015 A 7 ILE HG1y H 1 1.757 0.015 A 7 ILE HG1x H 1 1.176 0.015 A 7 ILE HG2% H 1 0.974 0.015 A 7 ILE C C 13 177.833 0.150 A 7 ILE CA C 13 65.129 0.150 A 7 ILE CB C 13 38.206 0.150 A 7 ILE CD1 C 13 13.328 0.150 A 7 ILE CG1 C 13 29.172 0.150 A 7 ILE CG2 C 13 17.221 0.150 A 7 ILE N N 15 121.296 0.150 A 8 MET H H 1 8.672 0.015 A 8 MET HA H 1 3.985 0.015 A 8 MET HBy H 1 2.002 0.015 A 8 MET HBx H 1 1.850 0.015 A 8 MET HE% H 1 1.923 0.015 A 8 MET HGy H 1 2.504 0.015 A 8 MET HGx H 1 2.384 0.015 A 8 MET C C 13 177.355 0.150 A 8 MET CA C 13 59.932 0.150 A 8 MET CB C 13 32.721 0.150 A 8 MET CE C 13 16.626 0.150 A 8 MET CG C 13 32.733 0.150 A 8 MET N N 15 117.603 0.150 A 9 ALA H H 1 7.795 0.015 A 9 ALA HA H 1 4.046 0.015 A 9 ALA HB% H 1 1.482 0.015 A 9 ALA C C 13 180.546 0.150 A 9 ALA CA C 13 55.385 0.150 A 9 ALA CB C 13 17.898 0.150 A 9 ALA N N 15 118.774 0.150 A 10 ALA H H 1 7.438 0.015 A 10 ALA HA H 1 4.205 0.015 A 10 ALA HB% H 1 1.467 0.015 A 10 ALA C C 13 181.200 0.150 A 10 ALA CA C 13 55.012 0.150 A 10 ALA CB C 13 19.261 0.150 A 10 ALA N N 15 120.854 0.150 A 11 LEU H H 1 8.757 0.015 A 11 LEU HA H 1 3.748 0.015 A 11 LEU HBy H 1 2.050 0.015 A 11 LEU HBx H 1 1.826 0.015 A 11 LEU HDx% H 1 0.521 0.015 A 11 LEU HDy% H 1 -0.157 0.015 A 11 LEU HG H 1 1.677 0.015 A 11 LEU C C 13 179.041 0.150 A 11 LEU CA C 13 58.346 0.150 A 11 LEU CB C 13 39.977 0.150 A 11 LEU CDy C 13 26.105 0.150 A 11 LEU CDx C 13 21.515 0.150 A 11 LEU CG C 13 25.647 0.150 A 11 LEU N N 15 120.775 0.150 A 12 ASN H H 1 8.850 0.015 A 12 ASN HA H 1 4.564 0.015 A 12 ASN HBy H 1 2.909 0.015 A 12 ASN HBx H 1 2.792 0.015 A 12 ASN HD2y H 1 7.329 0.015 A 12 ASN HD2x H 1 6.171 0.015 A 12 ASN C C 13 178.900 0.150 A 12 ASN CA C 13 54.065 0.150 A 12 ASN CB C 13 36.993 0.150 A 12 ASN N N 15 116.313 0.150 A 12 ASN ND2 N 15 106.606 0.150 A 13 SER H H 1 7.672 0.015 A 13 SER HA H 1 4.370 0.015 A 13 SER HBx H 1 4.031 0.015 A 13 SER HBy H 1 4.031 0.015 A 13 SER C C 13 176.515 0.150 A 13 SER CA C 13 61.141 0.150 A 13 SER CB C 13 63.044 0.150 A 13 SER N N 15 114.747 0.150 A 14 GLN H H 1 7.573 0.015 A 14 GLN HA H 1 4.218 0.015 A 14 GLN HBx H 1 2.255 0.015 A 14 GLN HBy H 1 2.255 0.015 A 14 GLN HE2y H 1 7.522 0.015 A 14 GLN HE2x H 1 6.675 0.015 A 14 GLN HGx H 1 2.276 0.015 A 14 GLN HGy H 1 2.417 0.015 A 14 GLN C C 13 178.208 0.150 A 14 GLN CA C 13 57.749 0.150 A 14 GLN CB C 13 28.700 0.150 A 14 GLN CG C 13 33.813 0.150 A 14 GLN N N 15 119.954 0.150 A 14 GLN NE2 N 15 110.291 0.150 A 15 THR H H 1 7.741 0.015 A 15 THR HA H 1 3.899 0.015 A 15 THR HB H 1 2.503 0.015 A 15 THR HG1 H 1 5.703 0.015 A 15 THR HG2% H 1 0.380 0.015 A 15 THR C C 13 174.683 0.150 A 15 THR CA C 13 61.551 0.150 A 15 THR CB C 13 69.226 0.150 A 15 THR CG2 C 13 21.944 0.150 A 15 THR N N 15 107.493 0.150 A 16 ALA H H 1 6.873 0.015 A 16 ALA HA H 1 4.135 0.015 A 16 ALA HB% H 1 1.519 0.015 A 16 ALA C C 13 179.899 0.150 A 16 ALA CA C 13 56.207 0.150 A 16 ALA CB C 13 18.724 0.150 A 16 ALA N N 15 124.034 0.150 A 17 VAL H H 1 8.162 0.015 A 17 VAL HA H 1 3.714 0.015 A 17 VAL HB H 1 1.978 0.015 A 17 VAL HGx% H 1 1.048 0.015 A 17 VAL HGy% H 1 0.897 0.015 A 17 VAL C C 13 178.537 0.150 A 17 VAL CA C 13 66.508 0.150 A 17 VAL CB C 13 31.693 0.150 A 17 VAL CGy C 13 22.530 0.150 A 17 VAL CGx C 13 20.919 0.150 A 17 VAL N N 15 117.150 0.150 A 18 GLN H H 1 8.451 0.015 A 18 GLN HA H 1 4.057 0.015 A 18 GLN HBx H 1 1.759 0.015 A 18 GLN HBy H 1 1.849 0.015 A 18 GLN HE2y H 1 7.426 0.015 A 18 GLN HE2x H 1 6.937 0.015 A 18 GLN HGy H 1 2.365 0.015 A 18 GLN HGx H 1 2.328 0.015 A 18 GLN C C 13 180.429 0.150 A 18 GLN CA C 13 59.699 0.150 A 18 GLN CB C 13 29.186 0.150 A 18 GLN CG C 13 35.136 0.150 A 18 GLN N N 15 119.489 0.150 A 18 GLN NE2 N 15 111.475 0.150 A 19 PHE H H 1 8.924 0.015 A 19 PHE HA H 1 4.830 0.015 A 19 PHE HBy H 1 3.430 0.015 A 19 PHE HBx H 1 3.143 0.015 A 19 PHE HDx H 1 6.945 0.015 A 19 PHE HDy H 1 6.945 0.015 A 19 PHE HEx H 1 7.318 0.015 A 19 PHE HEy H 1 7.318 0.015 A 19 PHE HZ H 1 6.765 0.015 A 19 PHE C C 13 177.858 0.150 A 19 PHE CA C 13 57.029 0.150 A 19 PHE CB C 13 35.905 0.150 A 19 PHE CDx C 13 128.818 0.150 A 19 PHE CEx C 13 132.077 0.150 A 19 PHE CZ C 13 128.423 0.150 A 19 PHE N N 15 117.940 0.150 A 20 GLN H H 1 8.264 0.015 A 20 GLN HA H 1 4.106 0.015 A 20 GLN HBy H 1 2.336 0.015 A 20 GLN HBx H 1 2.258 0.015 A 20 GLN HE2y H 1 7.388 0.015 A 20 GLN HE2x H 1 6.787 0.015 A 20 GLN HGy H 1 2.606 0.015 A 20 GLN HGx H 1 2.503 0.015 A 20 GLN C C 13 178.986 0.150 A 20 GLN CA C 13 59.563 0.150 A 20 GLN CB C 13 27.895 0.150 A 20 GLN CG C 13 34.196 0.150 A 20 GLN N N 15 120.297 0.150 A 20 GLN NE2 N 15 110.955 0.150 A 21 GLN H H 1 8.527 0.015 A 21 GLN HA H 1 4.082 0.015 A 21 GLN HBy H 1 2.237 0.015 A 21 GLN HBx H 1 2.121 0.015 A 21 GLN HE2y H 1 7.467 0.015 A 21 GLN HE2x H 1 6.799 0.015 A 21 GLN HGy H 1 2.646 0.015 A 21 GLN HGx H 1 2.404 0.015 A 21 GLN C C 13 178.806 0.150 A 21 GLN CA C 13 59.170 0.150 A 21 GLN CB C 13 28.196 0.150 A 21 GLN CG C 13 34.239 0.150 A 21 GLN N N 15 118.595 0.150 A 21 GLN NE2 N 15 111.478 0.150 A 22 TYR H H 1 7.843 0.015 A 22 TYR HA H 1 4.247 0.015 A 22 TYR HBy H 1 3.330 0.015 A 22 TYR HBx H 1 2.865 0.015 A 22 TYR HDx H 1 6.958 0.015 A 22 TYR HDy H 1 6.958 0.015 A 22 TYR HEx H 1 6.649 0.015 A 22 TYR HEy H 1 6.649 0.015 A 22 TYR C C 13 177.789 0.150 A 22 TYR CA C 13 61.712 0.150 A 22 TYR CB C 13 38.724 0.150 A 22 TYR CDx C 13 132.543 0.150 A 22 TYR CEx C 13 118.175 0.150 A 22 TYR N N 15 119.594 0.150 A 23 ALA H H 1 8.612 0.015 A 23 ALA HA H 1 3.857 0.015 A 23 ALA HB% H 1 1.556 0.015 A 23 ALA C C 13 179.319 0.150 A 23 ALA CA C 13 55.589 0.150 A 23 ALA CB C 13 18.482 0.150 A 23 ALA N N 15 120.663 0.150 A 24 ALA H H 1 8.168 0.015 A 24 ALA HA H 1 3.938 0.015 A 24 ALA HB% H 1 1.449 0.015 A 24 ALA C C 13 178.987 0.150 A 24 ALA CA C 13 54.317 0.150 A 24 ALA CB C 13 17.891 0.150 A 24 ALA N N 15 119.002 0.150 A 25 GLN H H 1 7.300 0.015 A 25 GLN HA H 1 4.004 0.015 A 25 GLN HBy H 1 2.123 0.015 A 25 GLN HBx H 1 2.026 0.015 A 25 GLN HGy H 1 2.474 0.015 A 25 GLN HGx H 1 2.285 0.015 A 25 GLN C C 13 177.818 0.150 A 25 GLN CA C 13 57.454 0.150 A 25 GLN CB C 13 28.455 0.150 A 25 GLN CG C 13 33.896 0.150 A 25 GLN N N 15 115.599 0.150 A 26 GLN H H 1 7.401 0.015 A 26 GLN HA H 1 3.704 0.015 A 26 GLN HBy H 1 1.364 0.015 A 26 GLN HBx H 1 1.235 0.015 A 26 GLN HE2x H 1 6.378 0.015 A 26 GLN HE2y H 1 6.665 0.015 A 26 GLN HGy H 1 1.528 0.015 A 26 GLN HGx H 1 1.372 0.015 A 26 GLN C C 13 175.979 0.150 A 26 GLN CA C 13 56.788 0.150 A 26 GLN CB C 13 29.080 0.150 A 26 GLN CG C 13 33.102 0.150 A 26 GLN N N 15 116.989 0.150 A 26 GLN NE2 N 15 113.001 0.150 A 27 TYR H H 1 7.675 0.015 A 27 TYR HA H 1 5.078 0.015 A 27 TYR HBx H 1 2.616 0.015 A 27 TYR HBy H 1 3.219 0.015 A 27 TYR HDx H 1 6.932 0.015 A 27 TYR HDy H 1 6.932 0.015 A 27 TYR HEx H 1 6.788 0.015 A 27 TYR HEy H 1 6.788 0.015 A 27 TYR C C 13 172.931 0.150 A 27 TYR CA C 13 55.167 0.150 A 27 TYR CB C 13 39.660 0.150 A 27 TYR CDx C 13 133.272 0.150 A 27 TYR CEx C 13 118.291 0.150 A 27 TYR N N 15 114.712 0.150 A 28 PRO HA H 1 4.362 0.015 A 28 PRO HBy H 1 2.285 0.015 A 28 PRO HBx H 1 1.939 0.015 A 28 PRO HDy H 1 3.414 0.015 A 28 PRO HDx H 1 3.217 0.015 A 28 PRO HGx H 1 1.999 0.015 A 28 PRO HGy H 1 1.999 0.015 A 28 PRO C C 13 179.333 0.150 A 28 PRO CA C 13 64.394 0.150 A 28 PRO CB C 13 31.254 0.150 A 28 PRO CD C 13 50.130 0.150 A 28 PRO CG C 13 27.691 0.150 A 29 GLY H H 1 8.826 0.015 A 29 GLY HAy H 1 4.014 0.015 A 29 GLY HAx H 1 3.861 0.015 A 29 GLY C C 13 173.218 0.150 A 29 GLY CA C 13 45.912 0.150 A 29 GLY N N 15 110.091 0.150 A 30 ASN H H 1 7.293 0.015 A 30 ASN HA H 1 4.999 0.015 A 30 ASN HBx H 1 2.464 0.015 A 30 ASN HBy H 1 3.095 0.015 A 30 ASN HD2y H 1 7.824 0.015 A 30 ASN HD2x H 1 6.974 0.015 A 30 ASN C C 13 173.977 0.150 A 30 ASN CA C 13 51.185 0.150 A 30 ASN CB C 13 38.426 0.150 A 30 ASN N N 15 118.603 0.150 A 30 ASN ND2 N 15 112.728 0.150 A 31 TYR H H 1 8.509 0.015 A 31 TYR HA H 1 3.898 0.015 A 31 TYR HBx H 1 2.981 0.015 A 31 TYR HBy H 1 3.118 0.015 A 31 TYR HDx H 1 7.097 0.015 A 31 TYR HDy H 1 7.097 0.015 A 31 TYR HEx H 1 6.830 0.015 A 31 TYR HEy H 1 6.830 0.015 A 31 TYR C C 13 177.343 0.150 A 31 TYR CA C 13 61.811 0.150 A 31 TYR CB C 13 38.357 0.150 A 31 TYR CDy C 13 133.134 0.150 A 31 TYR CEy C 13 118.383 0.150 A 31 TYR N N 15 125.240 0.150 A 32 GLU H H 1 8.714 0.015 A 32 GLU HA H 1 3.900 0.015 A 32 GLU HBx H 1 2.016 0.015 A 32 GLU HBy H 1 2.158 0.015 A 32 GLU HGx H 1 2.311 0.015 A 32 GLU HGy H 1 2.311 0.015 A 32 GLU C C 13 179.549 0.150 A 32 GLU CA C 13 60.112 0.150 A 32 GLU CB C 13 29.168 0.150 A 32 GLU CG C 13 36.615 0.150 A 32 GLU N N 15 118.993 0.150 A 33 GLN H H 1 7.536 0.015 A 33 GLN HA H 1 3.733 0.015 A 33 GLN HBy H 1 1.370 0.015 A 33 GLN HBx H 1 0.867 0.015 A 33 GLN HE2y H 1 6.938 0.015 A 33 GLN HE2x H 1 6.674 0.015 A 33 GLN HGx H 1 1.772 0.015 A 33 GLN HGy H 1 1.772 0.015 A 33 GLN C C 13 179.119 0.150 A 33 GLN CA C 13 57.702 0.150 A 33 GLN CB C 13 27.626 0.150 A 33 GLN CG C 13 33.036 0.150 A 33 GLN N N 15 117.037 0.150 A 33 GLN NE2 N 15 112.107 0.150 A 34 GLN H H 1 7.968 0.015 A 34 GLN HA H 1 3.811 0.015 A 34 GLN HBy H 1 2.303 0.015 A 34 GLN HBx H 1 1.922 0.015 A 34 GLN HE2y H 1 7.764 0.015 A 34 GLN HE2x H 1 6.969 0.015 A 34 GLN HGy H 1 3.080 0.015 A 34 GLN HGx H 1 2.218 0.015 A 34 GLN C C 13 177.634 0.150 A 34 GLN CA C 13 60.165 0.150 A 34 GLN CB C 13 27.501 0.150 A 34 GLN CG C 13 33.528 0.150 A 34 GLN N N 15 117.723 0.150 A 34 GLN NE2 N 15 110.314 0.150 A 35 GLN H H 1 7.870 0.015 A 35 GLN HA H 1 3.791 0.015 A 35 GLN HBx H 1 2.025 0.015 A 35 GLN HBy H 1 2.025 0.015 A 35 GLN HE2y H 1 6.938 0.015 A 35 GLN HE2x H 1 6.837 0.015 A 35 GLN HGx H 1 2.016 0.015 A 35 GLN HGy H 1 2.096 0.015 A 35 GLN C C 13 178.757 0.150 A 35 GLN CA C 13 58.610 0.150 A 35 GLN CB C 13 28.205 0.150 A 35 GLN CG C 13 33.884 0.150 A 35 GLN N N 15 115.293 0.150 A 35 GLN NE2 N 15 114.540 0.150 A 36 ILE H H 1 7.503 0.015 A 36 ILE HA H 1 3.564 0.015 A 36 ILE HB H 1 1.708 0.015 A 36 ILE HD1% H 1 0.751 0.015 A 36 ILE HG1x H 1 1.014 0.015 A 36 ILE HG1y H 1 1.693 0.015 A 36 ILE HG2% H 1 0.844 0.015 A 36 ILE C C 13 178.273 0.150 A 36 ILE CA C 13 65.236 0.150 A 36 ILE CB C 13 38.373 0.150 A 36 ILE CD1 C 13 13.355 0.150 A 36 ILE CG1 C 13 29.305 0.150 A 36 ILE CG2 C 13 16.883 0.150 A 36 ILE N N 15 120.769 0.150 A 37 LEU H H 1 7.678 0.015 A 37 LEU HA H 1 4.309 0.015 A 37 LEU HBy H 1 2.111 0.015 A 37 LEU HBx H 1 1.787 0.015 A 37 LEU HDx% H 1 1.100 0.015 A 37 LEU HDy% H 1 1.157 0.015 A 37 LEU HG H 1 1.622 0.015 A 37 LEU C C 13 178.348 0.150 A 37 LEU CA C 13 57.734 0.150 A 37 LEU CB C 13 41.516 0.150 A 37 LEU CDy C 13 26.765 0.150 A 37 LEU CDx C 13 22.803 0.150 A 37 LEU CG C 13 27.552 0.150 A 37 LEU N N 15 121.056 0.150 A 38 ILE H H 1 8.702 0.015 A 38 ILE HA H 1 3.341 0.015 A 38 ILE HB H 1 1.745 0.015 A 38 ILE HD1% H 1 0.877 0.015 A 38 ILE HG1y H 1 1.858 0.015 A 38 ILE HG1x H 1 0.687 0.015 A 38 ILE HG2% H 1 0.925 0.015 A 38 ILE C C 13 177.371 0.150 A 38 ILE CA C 13 67.085 0.150 A 38 ILE CB C 13 38.349 0.150 A 38 ILE CD1 C 13 14.241 0.150 A 38 ILE CG1 C 13 30.736 0.150 A 38 ILE CG2 C 13 17.330 0.150 A 38 ILE N N 15 119.334 0.150 A 39 ARG H H 1 7.739 0.015 A 39 ARG HA H 1 4.215 0.015 A 39 ARG HBx H 1 1.944 0.015 A 39 ARG HBy H 1 1.944 0.015 A 39 ARG HDx H 1 3.222 0.015 A 39 ARG HDy H 1 3.260 0.015 A 39 ARG HGy H 1 1.839 0.015 A 39 ARG HGx H 1 1.700 0.015 A 39 ARG C C 13 179.555 0.150 A 39 ARG CA C 13 59.459 0.150 A 39 ARG CB C 13 29.752 0.150 A 39 ARG CD C 13 43.535 0.150 A 39 ARG CG C 13 27.795 0.150 A 39 ARG N N 15 117.798 0.150 A 40 GLN H H 1 7.811 0.015 A 40 GLN HA H 1 4.137 0.015 A 40 GLN HBy H 1 2.426 0.015 A 40 GLN HBx H 1 2.124 0.015 A 40 GLN HE2y H 1 7.284 0.015 A 40 GLN HE2x H 1 6.706 0.015 A 40 GLN HGy H 1 2.627 0.015 A 40 GLN HGx H 1 2.341 0.015 A 40 GLN C C 13 179.522 0.150 A 40 GLN CA C 13 59.260 0.150 A 40 GLN CB C 13 28.358 0.150 A 40 GLN CG C 13 33.888 0.150 A 40 GLN N N 15 119.432 0.150 A 40 GLN NE2 N 15 110.195 0.150 A 41 LEU H H 1 8.648 0.015 A 41 LEU HA H 1 3.687 0.015 A 41 LEU HBy H 1 1.312 0.015 A 41 LEU HBx H 1 -0.253 0.015 A 41 LEU HDx% H 1 0.459 0.015 A 41 LEU HDy% H 1 0.422 0.015 A 41 LEU HG H 1 1.652 0.015 A 41 LEU C C 13 178.974 0.150 A 41 LEU CA C 13 57.963 0.150 A 41 LEU CB C 13 39.852 0.150 A 41 LEU CDy C 13 25.653 0.150 A 41 LEU CDx C 13 22.456 0.150 A 41 LEU CG C 13 25.745 0.150 A 41 LEU N N 15 121.592 0.150 A 42 GLN H H 1 8.641 0.015 A 42 GLN HA H 1 4.544 0.015 A 42 GLN HBy H 1 2.505 0.015 A 42 GLN HBx H 1 2.219 0.015 A 42 GLN HE2y H 1 8.290 0.015 A 42 GLN HE2x H 1 6.488 0.015 A 42 GLN HGy H 1 2.967 0.015 A 42 GLN HGx H 1 2.544 0.015 A 42 GLN C C 13 180.176 0.150 A 42 GLN CA C 13 59.234 0.150 A 42 GLN CB C 13 27.920 0.150 A 42 GLN CG C 13 33.985 0.150 A 42 GLN N N 15 119.054 0.150 A 42 GLN NE2 N 15 110.851 0.150 A 43 GLU H H 1 8.111 0.015 A 43 GLU HA H 1 4.236 0.015 A 43 GLU HBy H 1 2.271 0.015 A 43 GLU HBx H 1 2.235 0.015 A 43 GLU HGy H 1 2.467 0.015 A 43 GLU HGx H 1 2.418 0.015 A 43 GLU C C 13 179.721 0.150 A 43 GLU CA C 13 59.667 0.150 A 43 GLU CB C 13 29.258 0.150 A 43 GLU CG C 13 35.956 0.150 A 43 GLU N N 15 121.517 0.150 A 44 GLN H H 1 8.372 0.015 A 44 GLN HA H 1 4.116 0.015 A 44 GLN HBx H 1 2.185 0.015 A 44 GLN HBy H 1 2.253 0.015 A 44 GLN HE2y H 1 7.276 0.015 A 44 GLN HE2x H 1 6.478 0.015 A 44 GLN HGy H 1 2.627 0.015 A 44 GLN HGx H 1 2.464 0.015 A 44 GLN C C 13 179.012 0.150 A 44 GLN CA C 13 59.149 0.150 A 44 GLN CB C 13 28.854 0.150 A 44 GLN CG C 13 34.684 0.150 A 44 GLN N N 15 119.240 0.150 A 44 GLN NE2 N 15 109.531 0.150 A 45 HIS H H 1 9.472 0.015 A 45 HIS HA H 1 4.280 0.015 A 45 HIS HBy H 1 3.859 0.015 A 45 HIS HBx H 1 3.593 0.015 A 45 HIS HD2 H 1 6.646 0.015 A 45 HIS HE1 H 1 7.284 0.015 A 45 HIS C C 13 176.395 0.150 A 45 HIS CA C 13 60.359 0.150 A 45 HIS CB C 13 32.325 0.150 A 45 HIS CD2 C 13 114.858 0.150 A 45 HIS CE1 C 13 137.827 0.150 A 45 HIS N N 15 121.705 0.150 A 46 TYR H H 1 8.253 0.015 A 46 TYR HA H 1 3.849 0.015 A 46 TYR HBx H 1 3.200 0.015 A 46 TYR HBy H 1 3.325 0.015 A 46 TYR HDx H 1 6.979 0.015 A 46 TYR HDy H 1 6.979 0.015 A 46 TYR HEx H 1 6.796 0.015 A 46 TYR HEy H 1 6.796 0.015 A 46 TYR C C 13 176.664 0.150 A 46 TYR CA C 13 62.251 0.150 A 46 TYR CB C 13 37.672 0.150 A 46 TYR CDx C 13 133.025 0.150 A 46 TYR CEx C 13 118.149 0.150 A 46 TYR N N 15 119.039 0.150 A 47 GLN H H 1 7.814 0.015 A 47 GLN HA H 1 3.784 0.015 A 47 GLN HBx H 1 2.213 0.015 A 47 GLN HBy H 1 2.213 0.015 A 47 GLN HGy H 1 2.683 0.015 A 47 GLN HGx H 1 2.611 0.015 A 47 GLN C C 13 179.048 0.150 A 47 GLN CA C 13 58.949 0.150 A 47 GLN CB C 13 28.181 0.150 A 47 GLN CG C 13 33.470 0.150 A 47 GLN N N 15 116.407 0.150 A 48 GLN H H 1 8.645 0.015 A 48 GLN HA H 1 3.977 0.015 A 48 GLN HBy H 1 2.292 0.015 A 48 GLN HBx H 1 2.113 0.015 A 48 GLN HE2y H 1 7.918 0.015 A 48 GLN HE2x H 1 6.873 0.015 A 48 GLN HGy H 1 2.717 0.015 A 48 GLN HGx H 1 2.442 0.015 A 48 GLN C C 13 177.741 0.150 A 48 GLN CA C 13 58.314 0.150 A 48 GLN CB C 13 28.328 0.150 A 48 GLN CG C 13 33.240 0.150 A 48 GLN N N 15 119.803 0.150 A 48 GLN NE2 N 15 112.462 0.150 A 49 TYR H H 1 9.105 0.015 A 49 TYR HA H 1 3.640 0.015 A 49 TYR HBy H 1 2.888 0.015 A 49 TYR HBx H 1 2.360 0.015 A 49 TYR HDx H 1 6.550 0.015 A 49 TYR HDy H 1 6.550 0.015 A 49 TYR HEx H 1 6.912 0.015 A 49 TYR HEy H 1 6.912 0.015 A 49 TYR C C 13 176.021 0.150 A 49 TYR CA C 13 62.109 0.150 A 49 TYR CB C 13 38.907 0.150 A 49 TYR CDx C 13 133.041 0.150 A 49 TYR CEx C 13 117.798 0.150 A 49 TYR N N 15 121.342 0.150 A 50 MET H H 1 8.060 0.015 A 50 MET HA H 1 4.040 0.015 A 50 MET HBy H 1 1.859 0.015 A 50 MET HBx H 1 1.744 0.015 A 50 MET HE% H 1 2.027 0.015 A 50 MET HGy H 1 2.111 0.015 A 50 MET HGx H 1 2.054 0.015 A 50 MET C C 13 179.841 0.150 A 50 MET CA C 13 56.623 0.150 A 50 MET CB C 13 30.099 0.150 A 50 MET CE C 13 16.634 0.150 A 50 MET CG C 13 32.257 0.150 A 50 MET N N 15 115.522 0.150 A 51 GLN H H 1 7.830 0.015 A 51 GLN HA H 1 4.065 0.015 A 51 GLN HBx H 1 2.148 0.015 A 51 GLN HBy H 1 2.148 0.015 A 51 GLN HGy H 1 2.390 0.015 A 51 GLN HGx H 1 2.140 0.015 A 51 GLN C C 13 178.707 0.150 A 51 GLN CA C 13 58.941 0.150 A 51 GLN CB C 13 28.489 0.150 A 51 GLN CG C 13 33.834 0.150 A 51 GLN N N 15 118.942 0.150 A 52 GLN H H 1 8.187 0.015 A 52 GLN HA H 1 4.057 0.015 A 52 GLN HBx H 1 1.965 0.015 A 52 GLN HBy H 1 2.034 0.015 A 52 GLN HE2y H 1 7.548 0.015 A 52 GLN HE2x H 1 6.334 0.015 A 52 GLN HGx H 1 2.464 0.015 A 52 GLN HGy H 1 2.464 0.015 A 52 GLN C C 13 178.738 0.150 A 52 GLN CA C 13 58.749 0.150 A 52 GLN CB C 13 28.403 0.150 A 52 GLN CG C 13 34.487 0.150 A 52 GLN N N 15 119.210 0.150 A 52 GLN NE2 N 15 110.017 0.150 A 53 LEU H H 1 8.441 0.015 A 53 LEU HA H 1 3.841 0.015 A 53 LEU HBx H 1 1.168 0.015 A 53 LEU HBy H 1 1.412 0.015 A 53 LEU HDx% H 1 0.761 0.015 A 53 LEU HDy% H 1 0.761 0.015 A 53 LEU HG H 1 1.300 0.015 A 53 LEU C C 13 179.191 0.150 A 53 LEU CA C 13 57.745 0.150 A 53 LEU CB C 13 41.866 0.150 A 53 LEU CDx C 13 24.215 0.150 A 53 LEU CG C 13 26.456 0.150 A 53 LEU N N 15 121.233 0.150 A 54 TYR H H 1 7.819 0.015 A 54 TYR HA H 1 4.318 0.015 A 54 TYR HBx H 1 3.145 0.015 A 54 TYR HBy H 1 3.145 0.015 A 54 TYR HDx H 1 7.117 0.015 A 54 TYR HDy H 1 7.117 0.015 A 54 TYR HEx H 1 6.779 0.015 A 54 TYR HEy H 1 6.779 0.015 A 54 TYR C C 13 177.535 0.150 A 54 TYR CA C 13 60.477 0.150 A 54 TYR CB C 13 37.786 0.150 A 54 TYR CDx C 13 132.998 0.150 A 54 TYR CEx C 13 118.133 0.150 A 54 TYR N N 15 118.505 0.150 A 55 GLN H H 1 7.735 0.015 A 55 GLN HA H 1 3.899 0.015 A 55 GLN HBx H 1 2.198 0.015 A 55 GLN HBy H 1 2.198 0.015 A 55 GLN HGx H 1 2.530 0.015 A 55 GLN HGy H 1 2.552 0.015 A 55 GLN C C 13 179.041 0.150 A 55 GLN CA C 13 58.709 0.150 A 55 GLN CB C 13 28.215 0.150 A 55 GLN CG C 13 33.936 0.150 A 55 GLN N N 15 117.299 0.150 A 56 VAL H H 1 8.014 0.015 A 56 VAL HA H 1 3.792 0.015 A 56 VAL HB H 1 2.201 0.015 A 56 VAL HGx% H 1 0.938 0.015 A 56 VAL HGy% H 1 1.054 0.015 A 56 VAL C C 13 178.262 0.150 A 56 VAL CA C 13 65.942 0.150 A 56 VAL CB C 13 31.879 0.150 A 56 VAL CGx C 13 21.060 0.150 A 56 VAL CGy C 13 22.482 0.150 A 56 VAL N N 15 120.879 0.150 A 57 GLN H H 1 8.103 0.015 A 57 GLN HA H 1 4.060 0.015 A 57 GLN HBx H 1 2.045 0.015 A 57 GLN HBy H 1 2.157 0.015 A 57 GLN HE2y H 1 7.400 0.015 A 57 GLN HE2x H 1 6.793 0.015 A 57 GLN HGy H 1 2.521 0.015 A 57 GLN HGx H 1 2.329 0.015 A 57 GLN C C 13 178.772 0.150 A 57 GLN CA C 13 58.616 0.150 A 57 GLN CB C 13 27.985 0.150 A 57 GLN N N 15 120.513 0.150 A 57 GLN NE2 N 15 110.743 0.150 A 58 LEU H H 1 8.176 0.015 A 58 LEU HA H 1 4.005 0.015 A 58 LEU HBx H 1 1.495 0.015 A 58 LEU HBy H 1 1.495 0.015 A 58 LEU HDx% H 1 0.771 0.015 A 58 LEU HDy% H 1 0.783 0.015 A 58 LEU HG H 1 1.423 0.015 A 58 LEU C C 13 179.134 0.150 A 58 LEU CA C 13 57.506 0.150 A 58 LEU CB C 13 41.803 0.150 A 58 LEU CDy C 13 24.267 0.150 A 58 LEU CDx C 13 23.770 0.150 A 58 LEU CG C 13 26.639 0.150 A 58 LEU N N 15 121.244 0.150 A 59 ALA H H 1 7.833 0.015 A 59 ALA HA H 1 4.165 0.015 A 59 ALA HB% H 1 1.495 0.015 A 59 ALA C C 13 180.497 0.150 A 59 ALA CA C 13 54.582 0.150 A 59 ALA CB C 13 18.053 0.150 A 59 ALA N N 15 121.608 0.150 A 60 GLN H H 1 8.081 0.015 A 60 GLN HA H 1 4.148 0.015 A 60 GLN HBx H 1 2.143 0.015 A 60 GLN HBy H 1 2.190 0.015 A 60 GLN HGy H 1 2.565 0.015 A 60 GLN HGx H 1 2.417 0.015 A 60 GLN C C 13 178.334 0.150 A 60 GLN CA C 13 57.977 0.150 A 60 GLN CB C 13 28.435 0.150 A 60 GLN N N 15 118.335 0.150 A 61 GLN H H 1 8.111 0.015 A 61 GLN HA H 1 4.162 0.015 A 61 GLN HBx H 1 2.175 0.015 A 61 GLN HBy H 1 2.175 0.015 A 61 GLN HGy H 1 2.515 0.015 A 61 GLN HGx H 1 2.395 0.015 A 61 GLN C C 13 178.002 0.150 A 61 GLN CA C 13 57.905 0.150 A 61 GLN CB C 13 28.579 0.150 A 61 GLN N N 15 120.206 0.150 A 62 GLN H H 1 8.203 0.015 A 62 GLN HA H 1 4.129 0.015 A 62 GLN HBx H 1 2.111 0.015 A 62 GLN HBy H 1 2.111 0.015 A 62 GLN HE2y H 1 7.455 0.015 A 62 GLN HE2x H 1 6.840 0.015 A 62 GLN HGy H 1 2.468 0.015 A 62 GLN HGx H 1 2.417 0.015 A 62 GLN C C 13 177.624 0.150 A 62 GLN CA C 13 57.636 0.150 A 62 GLN CB C 13 28.636 0.150 A 62 GLN N N 15 118.980 0.150 A 62 GLN NE2 N 15 111.893 0.150 A 63 ALA H H 1 8.004 0.015 A 63 ALA HA H 1 4.206 0.015 A 63 ALA HB% H 1 1.450 0.015 A 63 ALA C C 13 178.922 0.150 A 63 ALA CA C 13 53.896 0.150 A 63 ALA CB C 13 18.459 0.150 A 63 ALA N N 15 122.712 0.150 A 64 ALA H H 1 7.837 0.015 A 64 ALA HA H 1 4.232 0.015 A 64 ALA HB% H 1 1.455 0.015 A 64 ALA C C 13 178.732 0.150 A 64 ALA CA C 13 53.516 0.150 A 64 ALA CB C 13 18.630 0.150 A 64 ALA N N 15 120.813 0.150 A 65 LEU H H 1 7.765 0.015 A 65 LEU HA H 1 4.257 0.015 A 65 LEU HBx H 1 1.613 0.015 A 65 LEU HBy H 1 1.743 0.015 A 65 LEU HDx% H 1 0.926 0.015 A 65 LEU HDy% H 1 0.884 0.015 A 65 LEU HG H 1 1.739 0.015 A 65 LEU C C 13 178.038 0.150 A 65 LEU CA C 13 55.822 0.150 A 65 LEU CB C 13 42.264 0.150 A 65 LEU CDy C 13 24.846 0.150 A 65 LEU CDx C 13 23.303 0.150 A 65 LEU CG C 13 26.824 0.150 A 65 LEU N N 15 119.196 0.150 A 66 GLN H H 1 7.967 0.015 A 66 GLN HA H 1 4.275 0.015 A 66 GLN HBx H 1 2.036 0.015 A 66 GLN HBy H 1 2.140 0.015 A 66 GLN HGx H 1 2.417 0.015 A 66 GLN HGy H 1 2.417 0.015 A 66 GLN C C 13 176.120 0.150 A 66 GLN CA C 13 56.067 0.150 A 66 GLN CB C 13 29.132 0.150 A 66 GLN N N 15 119.365 0.150 A 67 LYS H H 1 8.053 0.015 A 67 LYS HA H 1 4.309 0.015 A 67 LYS HBx H 1 1.792 0.015 A 67 LYS HBy H 1 1.868 0.015 A 67 LYS HDx H 1 1.694 0.015 A 67 LYS HDy H 1 1.694 0.015 A 67 LYS HEx H 1 3.004 0.015 A 67 LYS HEy H 1 3.004 0.015 A 67 LYS HGx H 1 1.455 0.015 A 67 LYS HGy H 1 1.455 0.015 A 67 LYS C C 13 176.437 0.150 A 67 LYS CA C 13 56.389 0.150 A 67 LYS CB C 13 33.041 0.150 A 67 LYS CD C 13 29.064 0.150 A 67 LYS CE C 13 42.151 0.150 A 67 LYS CG C 13 24.761 0.150 A 67 LYS N N 15 121.521 0.150 A 68 GLN H H 1 8.314 0.015 A 68 GLN HA H 1 4.339 0.015 A 68 GLN HBx H 1 2.012 0.015 A 68 GLN HBy H 1 2.153 0.015 A 68 GLN HGx H 1 2.401 0.015 A 68 GLN HGy H 1 2.401 0.015 A 68 GLN C C 13 175.120 0.150 A 68 GLN CA C 13 56.000 0.150 A 68 GLN CB C 13 29.498 0.150 A 68 GLN N N 15 121.970 0.150 A 69 GLN H H 1 8.016 0.015 A 69 GLN HA H 1 4.157 0.015 A 69 GLN HBy H 1 2.123 0.015 A 69 GLN HBx H 1 1.941 0.015 A 69 GLN HGx H 1 2.314 0.015 A 69 GLN HGy H 1 2.314 0.015 A 69 GLN C C 13 180.477 0.150 A 69 GLN CA C 13 57.444 0.150 A 69 GLN CB C 13 30.413 0.150 A 69 GLN CG C 13 34.309 0.150 A 69 GLN N N 15 126.854 0.150 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 32 GLU HA A 32 GLU HGx 1.0 0.0 3.37 2 1 A 32 GLU HA A 32 GLU HGy 1.0 0.0 3.37 3 2 A 35 GLN HA A 38 ILE HD1% 1.0 0.0 3.40 4 3 A 38 ILE HD1% A 20 GLN HA 1.0 0.0 3.10 5 4 A 38 ILE HD1% A 19 PHE HBx 1.0 0.0 4.49 6 5 A 32 GLU HBy A 33 GLN H 1.0 0.0 4.07 7 6 A 59 ALA H A 58 LEU HBx 1.0 0.0 3.55 8 6 A 58 LEU HBy A 59 ALA H 1.0 0.0 3.55 9 7 A 52 GLN HBy A 53 LEU HBx 1.0 0.0 5.01 10 7 A 52 GLN HBy A 53 LEU HBy 1.0 0.0 5.01 11 8 A 57 GLN HBx A 53 LEU HBx 1.0 0.0 4.99 12 8 A 53 LEU HBy A 57 GLN HBx 1.0 0.0 4.99 13 9 A 50 MET HE% A 53 LEU HBx 1.0 0.0 5.50 14 9 A 53 LEU HBy A 50 MET HE% 1.0 0.0 5.50 15 10 A 56 VAL HGy% A 53 LEU HBx 1.0 0.0 4.98 16 10 A 53 LEU HBy A 56 VAL HGy% 1.0 0.0 4.98 17 11 A 50 MET HA A 53 LEU HBx 1.0 0.0 3.59 18 11 A 53 LEU HBy A 50 MET HA 1.0 0.0 3.59 19 12 A 49 TYR HA A 53 LEU HBx 1.0 0.0 5.50 20 12 A 53 LEU HBy A 49 TYR HA 1.0 0.0 5.50 21 13 A 51 GLN HA A 53 LEU HBx 1.0 0.0 5.50 22 13 A 53 LEU HBy A 51 GLN HA 1.0 0.0 5.50 23 14 A 52 GLN HA A 53 LEU HBx 1.0 0.0 5.50 24 14 A 53 LEU HBy A 52 GLN HA 1.0 0.0 5.50 25 15 A 54 TYR HA A 53 LEU HBx 1.0 0.0 4.64 26 15 A 53 LEU HBy A 54 TYR HA 1.0 0.0 4.64 27 16 A 53 LEU HBx A 54 TYR HBx 1.0 0.0 4.77 28 16 A 54 TYR HBy A 53 LEU HBx 1.0 0.0 4.77 29 16 A 53 LEU HBy A 54 TYR HBy 1.0 0.0 4.77 30 16 A 53 LEU HBy A 54 TYR HBx 1.0 0.0 4.77 31 17 A 49 TYR HD% A 53 LEU HBx 1.0 0.0 4.87 32 17 A 53 LEU HBy A 49 TYR HD% 1.0 0.0 4.87 33 18 A 49 TYR HE% A 53 LEU HBx 1.0 0.0 5.21 34 18 A 53 LEU HBy A 49 TYR HE% 1.0 0.0 5.21 35 19 A 53 LEU H A 53 LEU HDx% 1.0 0.0 4.01 36 19 A 53 LEU H A 53 LEU HDy% 1.0 0.0 4.01 37 20 A 54 TYR H A 53 LEU HDx% 1.0 0.0 4.47 38 20 A 53 LEU HDy% A 54 TYR H 1.0 0.0 4.47 39 21 A 49 TYR HE% A 53 LEU HDx% 1.0 0.0 3.55 40 21 A 49 TYR HE% A 53 LEU HDy% 1.0 0.0 3.55 41 22 A 53 LEU HA A 53 LEU HDx% 1.0 0.0 3.25 42 22 A 53 LEU HDy% A 53 LEU HA 1.0 0.0 3.25 43 23 A 50 MET HA A 53 LEU HDx% 1.0 0.0 4.20 44 23 A 50 MET HA A 53 LEU HDy% 1.0 0.0 4.20 45 24 A 49 TYR HA A 53 LEU HDx% 1.0 0.0 4.54 46 24 A 49 TYR HA A 53 LEU HDy% 1.0 0.0 4.54 47 25 A 57 GLN HGy A 53 LEU HDx% 1.0 0.0 5.09 48 25 A 53 LEU HDy% A 57 GLN HGy 1.0 0.0 5.09 49 26 A 53 LEU HDx% A 57 GLN HGx 1.0 0.0 5.09 50 26 A 53 LEU HDy% A 57 GLN HGx 1.0 0.0 5.09 51 27 A 52 GLN HBy A 53 LEU HDx% 1.0 0.0 4.31 52 27 A 52 GLN HBy A 53 LEU HDy% 1.0 0.0 4.31 53 28 A 53 LEU HBx A 53 LEU HDx% 1.0 0.0 2.98 54 28 A 53 LEU HBy A 53 LEU HDx% 1.0 0.0 2.98 55 28 A 53 LEU HDy% A 53 LEU HBx 1.0 0.0 2.98 56 28 A 53 LEU HBy A 53 LEU HDy% 1.0 0.0 2.98 57 29 A 50 MET HA A 53 LEU HG 1.0 0.0 4.75 58 30 A 53 LEU HA A 53 LEU HG 1.0 0.0 4.22 59 31 A 52 GLN HBy A 53 LEU HG 1.0 0.0 4.89 60 32 A 53 LEU HG A 53 LEU HBx 1.0 0.0 2.93 61 32 A 53 LEU HBy A 53 LEU HG 1.0 0.0 2.93 62 33 A 55 GLN H A 54 TYR HBx 1.0 0.0 3.62 63 33 A 54 TYR HBy A 55 GLN H 1.0 0.0 3.62 64 34 A 54 TYR HA A 54 TYR HD% 1.0 0.0 3.41 65 35 A 51 GLN HA A 54 TYR HD% 1.0 0.0 4.92 66 36 A 31 TYR HA A 31 TYR HD% 1.0 0.0 3.70 67 37 A 32 GLU HA A 31 TYR HD% 1.0 0.0 3.97 68 38 A 31 TYR HD% A 34 GLN HBy 1.0 0.0 5.33 69 39 A 32 GLU HBy A 31 TYR HD% 1.0 0.0 4.54 70 40 A 54 TYR HD% A 55 GLN HBx 1.0 0.0 4.80 71 40 A 54 TYR HD% A 55 GLN HBy 1.0 0.0 4.80 72 41 A 31 TYR HD% A 35 GLN HGx 1.0 0.0 4.60 73 42 A 54 TYR HD% A 58 LEU HG 1.0 0.0 5.29 74 43 A 54 TYR HD% A 58 LEU HDx% 1.0 0.0 4.08 75 43 A 54 TYR HD% A 58 LEU HDy% 1.0 0.0 4.08 76 44 A 22 TYR HE% A 37 LEU HDx% 1.0 0.0 3.57 77 45 A 46 TYR HE% A 11 LEU HDx% 1.0 0.0 5.33 78 46 A 22 TYR HD% A 37 LEU HG 1.0 0.0 5.50 79 47 A 22 TYR HE% A 26 GLN HGy 1.0 0.0 4.70 80 48 A 27 TYR HE% A 37 LEU HBy 1.0 0.0 3.83 81 49 A 46 TYR HE% A 50 MET HGy 1.0 0.0 5.50 82 50 A 31 TYR HE% A 35 GLN HGy 1.0 0.0 3.91 83 51 A 46 TYR HE% A 7 ILE HB 1.0 0.0 3.83 84 52 A 22 TYR HD% A 22 TYR HA 1.0 0.0 3.50 85 53 A 22 TYR HD% A 22 TYR H 1.0 0.0 4.50 86 54 A 22 TYR HD% A 23 ALA H 1.0 0.0 4.68 87 55 A 54 TYR HA A 53 LEU HA 1.0 0.0 5.34 88 56 A 54 TYR HA A 55 GLN HA 1.0 0.0 5.50 89 57 A 54 TYR HA A 57 GLN HBy 1.0 0.0 4.74 90 58 A 51 GLN H A 51 GLN HBx 1.0 0.0 3.06 91 58 A 51 GLN H A 51 GLN HBy 1.0 0.0 3.06 92 59 A 54 TYR HE% A 55 GLN HBx 1.0 0.0 4.74 93 59 A 55 GLN HBy A 54 TYR HE% 1.0 0.0 4.74 94 60 A 51 GLN HA A 51 GLN HBx 1.0 0.0 2.71 95 60 A 51 GLN HA A 51 GLN HBy 1.0 0.0 2.71 96 61 A 57 GLN HBy A 57 GLN HA 1.0 0.0 3.02 97 62 A 56 VAL HA A 55 GLN HBx 1.0 0.0 4.40 98 62 A 55 GLN HBy A 56 VAL HA 1.0 0.0 4.40 99 63 A 51 GLN HBy A 54 TYR HBx 1.0 0.0 5.05 100 63 A 51 GLN HBx A 54 TYR HBx 1.0 0.0 5.05 101 63 A 54 TYR HBy A 51 GLN HBx 1.0 0.0 5.05 102 63 A 54 TYR HBy A 51 GLN HBy 1.0 0.0 5.05 103 64 A 54 TYR HBy A 55 GLN HBx 1.0 0.0 5.38 104 64 A 55 GLN HBy A 54 TYR HBx 1.0 0.0 5.38 105 64 A 54 TYR HBy A 55 GLN HBy 1.0 0.0 5.38 106 64 A 54 TYR HBx A 55 GLN HBx 1.0 0.0 5.38 107 65 A 65 LEU HDx% A 61 GLN HBx 1.0 0.0 3.76 108 65 A 61 GLN HBy A 65 LEU HDx% 1.0 0.0 3.76 109 66 A 57 GLN HBy A 58 LEU HDx% 1.0 0.0 4.35 110 66 A 58 LEU HDy% A 57 GLN HBy 1.0 0.0 4.35 111 67 A 58 LEU HDy% A 61 GLN HBx 1.0 0.0 4.52 112 67 A 58 LEU HDx% A 61 GLN HBx 1.0 0.0 4.52 113 67 A 61 GLN HBy A 58 LEU HDx% 1.0 0.0 4.52 114 67 A 58 LEU HDy% A 61 GLN HBy 1.0 0.0 4.52 115 68 A 56 VAL HGy% A 55 GLN HBx 1.0 0.0 4.08 116 68 A 56 VAL HGy% A 55 GLN HBy 1.0 0.0 4.08 117 69 A 54 TYR HE% A 55 GLN HGx 1.0 0.0 3.54 118 69 A 54 TYR HE% A 55 GLN HGy 1.0 0.0 3.54 119 70 A 54 TYR HD% A 55 GLN HGx 1.0 0.0 4.26 120 70 A 54 TYR HD% A 55 GLN HGy 1.0 0.0 4.26 121 71 A 55 GLN HA A 55 GLN HGx 1.0 0.0 3.36 122 71 A 55 GLN HA A 55 GLN HGy 1.0 0.0 3.36 123 72 A 15 THR HG2% A 14 GLN HGx 1.0 0.0 5.16 124 73 A 56 VAL H A 56 VAL HB 1.0 0.0 3.18 125 74 A 57 GLN HA A 56 VAL HB 1.0 0.0 4.55 126 75 A 53 LEU HA A 56 VAL HB 1.0 0.0 3.70 127 76 A 56 VAL HB A 53 LEU HBx 1.0 0.0 4.70 128 76 A 53 LEU HBy A 56 VAL HB 1.0 0.0 4.70 129 77 A 56 VAL HB A 53 LEU HDx% 1.0 0.0 4.26 130 77 A 53 LEU HDy% A 56 VAL HB 1.0 0.0 4.26 131 78 A 17 VAL HGx% A 20 GLN H 1.0 0.0 5.10 132 79 A 17 VAL HGx% A 17 VAL H 1.0 0.0 2.88 133 80 A 17 VAL HGx% A 18 GLN HA 1.0 0.0 4.64 134 81 A 56 VAL HGy% A 52 GLN HA 1.0 0.0 4.98 135 82 A 56 VAL HGy% A 53 LEU HA 1.0 0.0 3.56 136 83 A 56 VAL HGy% A 56 VAL HA 1.0 0.0 2.94 137 84 A 56 VAL HGy% A 52 GLN HGx 1.0 0.0 4.21 138 85 A 56 VAL HGy% A 55 GLN HGx 1.0 0.0 4.53 139 85 A 56 VAL HGy% A 55 GLN HGy 1.0 0.0 4.53 140 86 A 56 VAL HGy% A 52 GLN HGy 1.0 0.0 4.21 141 87 A 17 VAL HGx% A 16 ALA HB% 1.0 0.0 3.68 142 88 A 17 VAL HGy% A 18 GLN H 1.0 0.0 3.99 143 89 A 17 VAL H A 17 VAL HGy% 1.0 0.0 4.15 144 90 A 17 VAL HGy% A 21 GLN H 1.0 0.0 4.62 145 91 A 18 GLN HA A 17 VAL HGy% 1.0 0.0 4.20 146 92 A 57 GLN HA A 56 VAL HGx% 1.0 0.0 4.45 147 93 A 53 LEU HA A 56 VAL HGx% 1.0 0.0 4.25 148 94 A 56 VAL HA A 56 VAL HGx% 1.0 0.0 3.14 149 95 A 17 VAL HGy% A 17 VAL HA 1.0 0.0 3.06 150 96 A 17 VAL HGy% A 21 GLN HGy 1.0 0.0 4.06 151 97 A 56 VAL HGx% A 60 GLN HGy 1.0 0.0 4.26 152 98 A 17 VAL HGy% A 21 GLN HGx 1.0 0.0 4.06 153 99 A 56 VAL HGx% A 60 GLN HGx 1.0 0.0 4.26 154 100 A 17 VAL HGy% A 20 GLN HBy 1.0 0.0 4.00 155 101 A 17 VAL HGy% A 20 GLN HBx 1.0 0.0 4.00 156 102 A 56 VAL HGx% A 59 ALA HB% 1.0 0.0 3.73 157 103 A 57 GLN HBx A 54 TYR HA 1.0 0.0 3.61 158 104 A 53 LEU H A 52 GLN HGy 1.0 0.0 5.17 159 105 A 58 LEU HA A 61 GLN HBx 1.0 0.0 4.14 160 105 A 61 GLN HBy A 58 LEU HA 1.0 0.0 4.14 161 106 A 54 TYR HE% A 58 LEU HBx 1.0 0.0 4.68 162 106 A 58 LEU HBy A 54 TYR HE% 1.0 0.0 4.68 163 107 A 58 LEU HA A 58 LEU HBx 1.0 0.0 2.99 164 107 A 58 LEU HBy A 58 LEU HA 1.0 0.0 2.99 165 108 A 55 GLN HA A 58 LEU HBx 1.0 0.0 3.95 166 108 A 58 LEU HBy A 55 GLN HA 1.0 0.0 3.95 167 109 A 59 ALA HA A 58 LEU HBx 1.0 0.0 4.68 168 109 A 58 LEU HBy A 59 ALA HA 1.0 0.0 4.68 169 110 A 57 GLN HBy A 58 LEU HBx 1.0 0.0 4.82 170 110 A 58 LEU HBy A 57 GLN HBy 1.0 0.0 4.82 171 111 A 58 LEU HBx A 61 GLN HBx 1.0 0.0 4.98 172 111 A 58 LEU HBy A 61 GLN HBx 1.0 0.0 4.98 173 111 A 61 GLN HBy A 58 LEU HBx 1.0 0.0 4.98 174 111 A 58 LEU HBy A 61 GLN HBy 1.0 0.0 4.98 175 112 A 57 GLN HBx A 58 LEU HBx 1.0 0.0 5.15 176 112 A 58 LEU HBy A 57 GLN HBx 1.0 0.0 5.15 177 113 A 58 LEU HBx A 62 GLN HBx 1.0 0.0 5.50 178 113 A 58 LEU HBy A 62 GLN HBx 1.0 0.0 5.50 179 113 A 62 GLN HBy A 58 LEU HBx 1.0 0.0 5.50 180 113 A 58 LEU HBy A 62 GLN HBy 1.0 0.0 5.50 181 114 A 58 LEU HBy A 58 LEU HDx% 1.0 0.0 2.74 182 114 A 58 LEU HDy% A 58 LEU HBx 1.0 0.0 2.74 183 114 A 58 LEU HBy A 58 LEU HDy% 1.0 0.0 2.74 184 114 A 58 LEU HBx A 58 LEU HDx% 1.0 0.0 2.74 185 115 A 54 TYR HE% A 58 LEU HDx% 1.0 0.0 3.54 186 115 A 58 LEU HDy% A 54 TYR HE% 1.0 0.0 3.54 187 116 A 58 LEU HA A 58 LEU HDx% 1.0 0.0 3.27 188 116 A 58 LEU HDy% A 58 LEU HA 1.0 0.0 3.27 189 117 A 55 GLN HA A 58 LEU HDx% 1.0 0.0 3.69 190 117 A 58 LEU HDy% A 55 GLN HA 1.0 0.0 3.69 191 118 A 55 GLN HBx A 58 LEU HDx% 1.0 0.0 4.12 192 118 A 55 GLN HBy A 58 LEU HDx% 1.0 0.0 4.12 193 118 A 58 LEU HDy% A 55 GLN HBx 1.0 0.0 4.12 194 118 A 55 GLN HBy A 58 LEU HDy% 1.0 0.0 4.12 195 119 A 59 ALA HA A 58 LEU HDx% 1.0 0.0 5.18 196 119 A 58 LEU HDy% A 59 ALA HA 1.0 0.0 5.18 197 120 A 59 ALA HA A 61 GLN H 1.0 0.0 5.50 198 121 A 59 ALA HA A 62 GLN HBx 1.0 0.0 4.28 199 121 A 59 ALA HA A 62 GLN HBy 1.0 0.0 4.28 200 122 A 9 ALA H A 9 ALA HB% 1.0 0.0 2.80 201 123 A 24 ALA H A 24 ALA HB% 1.0 0.0 2.90 202 124 A 10 ALA H A 10 ALA HB% 1.0 0.0 2.92 203 125 A 56 VAL HA A 59 ALA HB% 1.0 0.0 3.10 204 126 A 59 ALA HB% A 60 GLN HGy 1.0 0.0 4.06 205 127 A 59 ALA HB% A 60 GLN HGx 1.0 0.0 4.06 206 128 A 59 ALA HB% A 60 GLN HA 1.0 0.0 3.64 207 129 A 55 GLN HGx A 58 LEU HDx% 1.0 0.0 4.51 208 129 A 55 GLN HGy A 58 LEU HDx% 1.0 0.0 4.51 209 129 A 58 LEU HDy% A 55 GLN HGx 1.0 0.0 4.51 210 129 A 58 LEU HDy% A 55 GLN HGy 1.0 0.0 4.51 211 130 A 58 LEU HDy% A 61 GLN HGy 1.0 0.0 5.11 212 130 A 61 GLN HGy A 58 LEU HDx% 1.0 0.0 5.11 213 131 A 58 LEU HDy% A 61 GLN HGx 1.0 0.0 5.11 214 131 A 58 LEU HDx% A 61 GLN HGx 1.0 0.0 5.11 215 132 A 62 GLN H A 62 GLN HGx 1.0 0.0 3.35 216 133 A 24 ALA HB% A 34 GLN HE2y 1.0 0.0 3.72 217 134 A 65 LEU H A 65 LEU HBy 1.0 0.0 3.60 218 135 A 65 LEU HBy A 62 GLN HA 1.0 0.0 4.34 219 136 A 62 GLN HA A 65 LEU HBx 1.0 0.0 4.42 220 137 A 65 LEU HA A 65 LEU HG 1.0 0.0 3.92 221 138 A 65 LEU HG A 61 GLN HA 1.0 0.0 4.70 222 139 A 62 GLN HA A 65 LEU HG 1.0 0.0 4.91 223 140 A 65 LEU HBx A 65 LEU HG 1.0 0.0 2.78 224 141 A 65 LEU HDx% A 65 LEU HA 1.0 0.0 4.11 225 142 A 65 LEU HDx% A 62 GLN HA 1.0 0.0 3.81 226 143 A 65 LEU HDx% A 65 LEU HBy 1.0 0.0 3.32 227 144 A 65 LEU HDx% A 65 LEU HBx 1.0 0.0 3.36 228 145 A 65 LEU HA A 65 LEU HDy% 1.0 0.0 3.04 229 146 A 65 LEU HBy A 65 LEU HDy% 1.0 0.0 3.26 230 147 A 65 LEU HBx A 65 LEU HDy% 1.0 0.0 3.40 231 148 A 30 ASN HD2y A 33 GLN HGx 1.0 0.0 3.67 232 148 A 30 ASN HD2y A 33 GLN HGy 1.0 0.0 3.67 233 149 A 27 TYR HD% A 33 GLN HGx 1.0 0.0 4.38 234 149 A 33 GLN HGy A 27 TYR HD% 1.0 0.0 4.38 235 150 A 27 TYR HE% A 33 GLN HGx 1.0 0.0 4.75 236 150 A 27 TYR HE% A 33 GLN HGy 1.0 0.0 4.75 237 151 A 3 GLN HA A 4 LYS HBy 1.0 0.0 4.79 238 151 A 3 GLN HA A 4 LYS HBx 1.0 0.0 4.79 239 152 A 33 GLN HA A 33 GLN HGx 1.0 0.0 3.80 240 152 A 33 GLN HGy A 33 GLN HA 1.0 0.0 3.80 241 153 A 7 ILE HD1% A 4 LYS HBy 1.0 0.0 3.70 242 153 A 4 LYS HBx A 7 ILE HD1% 1.0 0.0 3.70 243 154 A 36 ILE HD1% A 33 GLN HGx 1.0 0.0 4.49 244 154 A 33 GLN HGy A 36 ILE HD1% 1.0 0.0 4.49 245 155 A 9 ALA H A 8 MET HBy 1.0 0.0 4.27 246 156 A 18 GLN H A 17 VAL HB 1.0 0.0 4.07 247 157 A 17 VAL H A 17 VAL HB 1.0 0.0 3.29 248 158 A 5 GLN H A 4 LYS HBy 1.0 0.0 3.51 249 158 A 4 LYS HBx A 5 GLN H 1.0 0.0 3.51 250 159 A 5 GLN HA A 8 MET H 1.0 0.0 4.99 251 160 A 5 GLN HA A 5 GLN HGx 1.0 0.0 4.20 252 160 A 5 GLN HA A 5 GLN HGy 1.0 0.0 4.20 253 161 A 21 GLN H A 21 GLN HGy 1.0 0.0 4.00 254 162 A 52 GLN HA A 55 GLN HGx 1.0 0.0 4.04 255 162 A 52 GLN HA A 55 GLN HGy 1.0 0.0 4.04 256 163 A 9 ALA HB% A 6 GLN HA 1.0 0.0 3.92 257 164 A 24 ALA HB% A 21 GLN HA 1.0 0.0 4.21 258 165 A 31 TYR HD% A 32 GLU HGx 1.0 0.0 4.49 259 165 A 32 GLU HGy A 31 TYR HD% 1.0 0.0 4.49 260 166 A 10 ALA HB% A 7 ILE HA 1.0 0.0 3.94 261 167 A 7 ILE HB A 46 TYR HD% 1.0 0.0 4.90 262 168 A 7 ILE HB A 4 LYS HA 1.0 0.0 4.41 263 169 A 7 ILE HB A 8 MET HA 1.0 0.0 4.93 264 170 A 19 PHE HD% A 38 ILE HG2% 1.0 0.0 3.39 265 171 A 49 TYR HD% A 7 ILE HG2% 1.0 0.0 3.58 266 172 A 46 TYR HE% A 7 ILE HG2% 1.0 0.0 3.32 267 173 A 49 TYR HE% A 7 ILE HG2% 1.0 0.0 3.45 268 174 A 7 ILE HG2% A 11 LEU H 1.0 0.0 4.55 269 175 A 8 MET H A 7 ILE HG2% 1.0 0.0 3.87 270 176 A 8 MET HA A 7 ILE HG2% 1.0 0.0 3.73 271 177 A 7 ILE HA A 7 ILE HG2% 1.0 0.0 3.28 272 178 A 7 ILE HG2% A 7 ILE HG1y 1.0 0.0 3.32 273 179 A 7 ILE HG2% A 11 LEU HDy% 1.0 0.0 3.99 274 180 A 7 ILE HD1% A 8 MET H 1.0 0.0 4.81 275 181 A 7 ILE HD1% A 46 TYR HD% 1.0 0.0 5.46 276 182 A 49 TYR HD% A 7 ILE HD1% 1.0 0.0 4.30 277 183 A 46 TYR HE% A 7 ILE HD1% 1.0 0.0 3.70 278 184 A 49 TYR HE% A 7 ILE HD1% 1.0 0.0 4.09 279 185 A 3 GLN HA A 7 ILE HD1% 1.0 0.0 5.50 280 186 A 7 ILE HD1% A 4 LYS HA 1.0 0.0 3.73 281 187 A 7 ILE HD1% A 7 ILE HA 1.0 0.0 3.94 282 188 A 7 ILE HB A 7 ILE HD1% 1.0 0.0 3.27 283 189 A 50 MET HE% A 7 ILE HD1% 1.0 0.0 3.56 284 190 A 7 ILE HD1% A 53 LEU HDx% 1.0 0.0 3.77 285 190 A 53 LEU HDy% A 7 ILE HD1% 1.0 0.0 3.77 286 191 A 7 ILE HA A 7 ILE HG1x 1.0 0.0 3.93 287 192 A 7 ILE HA A 7 ILE HG1y 1.0 0.0 3.68 288 193 A 7 ILE HG2% A 7 ILE HG1x 1.0 0.0 3.78 289 194 A 8 MET H A 8 MET HGx 1.0 0.0 4.48 290 195 A 46 TYR HD% A 8 MET HGx 1.0 0.0 4.82 291 196 A 8 MET HE% A 8 MET HGy 1.0 0.0 3.75 292 197 A 8 MET HE% A 43 GLU HGy 1.0 0.0 3.81 293 197 A 8 MET HE% A 43 GLU HGx 1.0 0.0 3.81 294 198 A 8 MET HE% A 8 MET HGx 1.0 0.0 3.75 295 199 A 8 MET HE% A 46 TYR HBx 1.0 0.0 3.96 296 199 A 8 MET HE% A 46 TYR HBy 1.0 0.0 3.96 297 200 A 8 MET HE% A 43 GLU HA 1.0 0.0 3.72 298 201 A 8 MET HA A 8 MET HE% 1.0 0.0 4.10 299 202 A 5 GLN HA A 8 MET HE% 1.0 0.0 5.08 300 203 A 46 TYR HD% A 8 MET HE% 1.0 0.0 4.20 301 204 A 46 TYR HE% A 8 MET HE% 1.0 0.0 4.59 302 205 A 8 MET HE% A 43 GLU H 1.0 0.0 4.75 303 206 A 8 MET HE% A 46 TYR H 1.0 0.0 5.00 304 207 A 10 ALA HB% A 7 ILE HG2% 1.0 0.0 3.99 305 208 A 15 THR HG2% A 11 LEU HA 1.0 0.0 5.50 306 209 A 12 ASN H A 11 LEU HBx 1.0 0.0 4.54 307 210 A 11 LEU HDy% A 11 LEU HBy 1.0 0.0 4.20 308 211 A 11 LEU H A 11 LEU HG 1.0 0.0 3.73 309 212 A 7 ILE HG2% A 11 LEU HG 1.0 0.0 4.19 310 213 A 15 THR HG2% A 15 THR HA 1.0 0.0 3.58 311 214 A 41 LEU H A 41 LEU HDy% 1.0 0.0 4.20 312 215 A 49 TYR HD% A 11 LEU HDx% 1.0 0.0 4.24 313 216 A 22 TYR HE% A 41 LEU HDx% 1.0 0.0 4.12 314 217 A 38 ILE HA A 41 LEU HDx% 1.0 0.0 4.45 315 218 A 37 LEU HDx% A 41 LEU HDx% 1.0 0.0 4.60 316 219 A 7 ILE HG2% A 11 LEU HDx% 1.0 0.0 3.99 317 220 A 11 LEU HBx A 11 LEU HDx% 1.0 0.0 4.20 318 221 A 11 LEU HBy A 11 LEU HDx% 1.0 0.0 4.20 319 222 A 11 LEU HBx A 11 LEU HDy% 1.0 0.0 4.20 320 223 A 46 TYR HE% A 11 LEU HDy% 1.0 0.0 5.33 321 224 A 49 TYR HE% A 11 LEU HDy% 1.0 0.0 4.53 322 225 A 9 ALA HA A 12 ASN HBy 1.0 0.0 4.69 323 226 A 9 ALA HA A 12 ASN HBx 1.0 0.0 4.69 324 227 A 10 ALA HB% A 13 SER HBx 1.0 0.0 4.78 325 227 A 10 ALA HB% A 13 SER HBy 1.0 0.0 4.78 326 228 A 16 ALA HB% A 13 SER HBx 1.0 0.0 5.18 327 228 A 16 ALA HB% A 13 SER HBy 1.0 0.0 5.18 328 229 A 15 THR H A 14 GLN HBx 1.0 0.0 4.34 329 230 A 15 THR H A 14 GLN HBy 1.0 0.0 4.34 330 231 A 15 THR HG2% A 14 GLN HBy 1.0 0.0 4.37 331 232 A 14 GLN H A 14 GLN HGy 1.0 0.0 4.15 332 233 A 42 GLN H A 42 GLN HGx 1.0 0.0 4.40 333 234 A 14 GLN HA A 14 GLN HGx 1.0 0.0 4.03 334 235 A 15 THR HG2% A 19 PHE HE% 1.0 0.0 4.15 335 236 A 15 THR HG2% A 16 ALA H 1.0 0.0 4.86 336 237 A 15 THR HG2% A 19 PHE HD% 1.0 0.0 5.47 337 238 A 15 THR HG2% A 19 PHE HZ 1.0 0.0 4.38 338 239 A 22 TYR HE% A 41 LEU HDy% 1.0 0.0 4.12 339 240 A 15 THR HG2% A 14 GLN HGy 1.0 0.0 5.16 340 241 A 15 THR HG2% A 14 GLN HBx 1.0 0.0 4.37 341 242 A 41 LEU HDy% A 41 LEU HBy 1.0 0.0 3.86 342 243 A 41 LEU HDy% A 37 LEU HDy% 1.0 0.0 4.60 343 244 A 41 LEU HDy% A 41 LEU HBx 1.0 0.0 3.86 344 245 A 15 THR HA A 18 GLN HBx 1.0 0.0 4.97 345 246 A 16 ALA HB% A 16 ALA H 1.0 0.0 3.04 346 247 A 17 VAL H A 16 ALA HB% 1.0 0.0 3.09 347 248 A 16 ALA HB% A 13 SER HA 1.0 0.0 3.39 348 249 A 17 VAL HA A 16 ALA HA 1.0 0.0 5.36 349 250 A 18 GLN HA A 17 VAL HA 1.0 0.0 5.50 350 251 A 20 GLN HA A 17 VAL HA 1.0 0.0 5.50 351 252 A 17 VAL HA A 20 GLN HBy 1.0 0.0 4.11 352 253 A 17 VAL HA A 20 GLN HBx 1.0 0.0 4.11 353 254 A 17 VAL HGx% A 17 VAL HA 1.0 0.0 3.24 354 255 A 46 TYR HE% A 50 MET HGx 1.0 0.0 5.50 355 256 A 19 PHE H A 18 GLN HBy 1.0 0.0 4.46 356 257 A 19 PHE H A 18 GLN HBx 1.0 0.0 4.46 357 258 A 19 PHE HD% A 19 PHE HA 1.0 0.0 3.28 358 259 A 19 PHE HD% A 42 GLN HA 1.0 0.0 5.01 359 260 A 18 GLN HA A 19 PHE HD% 1.0 0.0 5.42 360 261 A 19 PHE HD% A 42 GLN HGy 1.0 0.0 4.40 361 262 A 19 PHE HD% A 42 GLN HGx 1.0 0.0 4.40 362 263 A 19 PHE HD% A 18 GLN HGy 1.0 0.0 4.66 363 263 A 19 PHE HD% A 18 GLN HGx 1.0 0.0 4.66 364 264 A 19 PHE HD% A 19 PHE H 1.0 0.0 4.34 365 265 A 19 PHE HE% A 19 PHE HA 1.0 0.0 4.39 366 266 A 19 PHE HE% A 42 GLN HA 1.0 0.0 4.03 367 267 A 19 PHE HE% A 42 GLN HGy 1.0 0.0 4.76 368 268 A 19 PHE HE% A 42 GLN HGx 1.0 0.0 4.76 369 269 A 19 PHE HZ A 45 HIS HBx 1.0 0.0 5.08 370 270 A 19 PHE HZ A 45 HIS HBy 1.0 0.0 5.08 371 271 A 49 TYR HD% A 50 MET H 1.0 0.0 4.42 372 272 A 49 TYR HD% A 49 TYR H 1.0 0.0 4.44 373 273 A 49 TYR H A 49 TYR HBx 1.0 0.0 4.01 374 274 A 49 TYR H A 49 TYR HBy 1.0 0.0 4.01 375 275 A 49 TYR HA A 49 TYR HD% 1.0 0.0 3.70 376 276 A 50 MET HA A 49 TYR HD% 1.0 0.0 4.31 377 277 A 49 TYR HD% A 53 LEU HDx% 1.0 0.0 4.05 378 277 A 49 TYR HD% A 53 LEU HDy% 1.0 0.0 4.05 379 278 A 49 TYR HD% A 11 LEU HDy% 1.0 0.0 4.24 380 279 A 50 MET H A 49 TYR HBx 1.0 0.0 4.57 381 280 A 50 MET H A 49 TYR HBy 1.0 0.0 4.57 382 281 A 49 TYR HA A 49 TYR HE% 1.0 0.0 4.64 383 282 A 49 TYR HE% A 11 LEU HDx% 1.0 0.0 4.53 384 283 A 34 GLN HE2y A 27 TYR HBy 1.0 0.0 5.00 385 284 A 27 TYR HBy A 30 ASN HBy 1.0 0.0 4.38 386 285 A 27 TYR HBx A 34 GLN HGy 1.0 0.0 4.04 387 286 A 27 TYR HBx A 30 ASN HBx 1.0 0.0 4.46 388 287 A 27 TYR HD% A 27 TYR HA 1.0 0.0 3.60 389 288 A 37 LEU HBy A 27 TYR HD% 1.0 0.0 4.30 390 289 A 27 TYR HD% A 23 ALA HB% 1.0 0.0 4.43 391 290 A 27 TYR HD% A 26 GLN HBx 1.0 0.0 4.43 392 291 A 27 TYR HD% A 34 GLN HA 1.0 0.0 4.36 393 292 A 22 TYR HE% A 26 GLN HGx 1.0 0.0 4.70 394 293 A 46 TYR HE% A 4 LYS HA 1.0 0.0 5.17 395 294 A 46 TYR HE% A 8 MET HA 1.0 0.0 5.50 396 295 A 46 TYR HE% A 46 TYR HA 1.0 0.0 5.50 397 296 A 34 GLN HA A 37 LEU HBx 1.0 0.0 4.47 398 297 A 37 LEU HBy A 34 GLN HA 1.0 0.0 4.79 399 298 A 31 TYR HA A 34 GLN HBx 1.0 0.0 4.40 400 299 A 31 TYR HA A 34 GLN HBy 1.0 0.0 4.19 401 300 A 38 ILE HD1% A 34 GLN HBx 1.0 0.0 4.50 402 301 A 34 GLN HBx A 35 GLN H 1.0 0.0 4.29 403 302 A 34 GLN HGy A 34 GLN H 1.0 0.0 4.17 404 303 A 34 GLN HGy A 24 ALA HA 1.0 0.0 4.94 405 304 A 31 TYR HA A 34 GLN HGy 1.0 0.0 4.95 406 305 A 31 TYR HA A 34 GLN HGx 1.0 0.0 4.66 407 306 A 36 ILE HA A 39 ARG H 1.0 0.0 4.98 408 307 A 36 ILE HA A 40 GLN H 1.0 0.0 5.50 409 308 A 36 ILE HA A 39 ARG HBx 1.0 0.0 4.02 410 308 A 36 ILE HA A 39 ARG HBy 1.0 0.0 4.02 411 309 A 36 ILE HA A 36 ILE HG1x 1.0 0.0 3.61 412 310 A 36 ILE H A 36 ILE HB 1.0 0.0 3.39 413 311 A 36 ILE HB A 37 LEU H 1.0 0.0 3.80 414 312 A 39 ARG H A 38 ILE HB 1.0 0.0 4.11 415 313 A 35 GLN H A 36 ILE HB 1.0 0.0 4.64 416 314 A 36 ILE HA A 36 ILE HG2% 1.0 0.0 3.21 417 315 A 33 GLN HA A 36 ILE HG2% 1.0 0.0 4.20 418 316 A 33 GLN HA A 36 ILE HB 1.0 0.0 3.54 419 317 A 37 LEU H A 36 ILE HG2% 1.0 0.0 3.87 420 318 A 40 GLN H A 36 ILE HG2% 1.0 0.0 4.64 421 319 A 27 TYR HD% A 36 ILE HG2% 1.0 0.0 5.50 422 320 A 27 TYR HE% A 36 ILE HG2% 1.0 0.0 4.60 423 321 A 36 ILE HG2% A 37 LEU HA 1.0 0.0 4.87 424 322 A 36 ILE HG1x A 36 ILE HG2% 1.0 0.0 3.12 425 323 A 33 GLN HA A 36 ILE HD1% 1.0 0.0 3.32 426 324 A 36 ILE HD1% A 36 ILE HA 1.0 0.0 3.92 427 325 A 36 ILE HD1% A 37 LEU H 1.0 0.0 4.57 428 326 A 27 TYR HD% A 36 ILE HD1% 1.0 0.0 5.05 429 327 A 36 ILE HD1% A 32 GLU HGx 1.0 0.0 3.57 430 327 A 32 GLU HGy A 36 ILE HD1% 1.0 0.0 3.57 431 328 A 32 GLU HBy A 36 ILE HD1% 1.0 0.0 4.93 432 329 A 36 ILE HD1% A 32 GLU HBx 1.0 0.0 4.12 433 330 A 36 ILE HD1% A 36 ILE HB 1.0 0.0 3.14 434 331 A 37 LEU H A 36 ILE HG1y 1.0 0.0 4.90 435 332 A 36 ILE HA A 36 ILE HG1y 1.0 0.0 3.68 436 333 A 36 ILE HG2% A 36 ILE HG1y 1.0 0.0 3.64 437 334 A 41 LEU H A 38 ILE HA 1.0 0.0 4.54 438 335 A 38 ILE HA A 42 GLN H 1.0 0.0 5.07 439 336 A 19 PHE HD% A 38 ILE HA 1.0 0.0 5.18 440 337 A 38 ILE HA A 38 ILE HG1y 1.0 0.0 4.01 441 338 A 37 LEU HG A 38 ILE HA 1.0 0.0 5.50 442 339 A 38 ILE HA A 41 LEU HBy 1.0 0.0 4.72 443 340 A 38 ILE HD1% A 38 ILE HA 1.0 0.0 3.94 444 341 A 38 ILE HA A 38 ILE HG1x 1.0 0.0 4.01 445 342 A 38 ILE HA A 41 LEU HDy% 1.0 0.0 4.45 446 343 A 38 ILE HA A 41 LEU HBx 1.0 0.0 4.72 447 344 A 38 ILE HG2% A 38 ILE HA 1.0 0.0 3.37 448 345 A 38 ILE HG2% A 19 PHE HBx 1.0 0.0 4.07 449 346 A 38 ILE HG2% A 42 GLN HGy 1.0 0.0 4.14 450 347 A 38 ILE HG2% A 42 GLN HGx 1.0 0.0 4.14 451 348 A 38 ILE HG2% A 39 ARG HA 1.0 0.0 4.09 452 349 A 20 GLN HA A 38 ILE HG2% 1.0 0.0 4.51 453 350 A 38 ILE HG2% A 38 ILE HG1y 1.0 0.0 3.55 454 351 A 38 ILE HG2% A 38 ILE HG1x 1.0 0.0 3.55 455 352 A 38 ILE HG2% A 42 GLN HE2x 1.0 0.0 4.17 456 353 A 38 ILE HG2% A 19 PHE HE% 1.0 0.0 4.71 457 354 A 38 ILE HG2% A 39 ARG H 1.0 0.0 4.12 458 355 A 38 ILE HG2% A 42 GLN HE2y 1.0 0.0 4.17 459 356 A 38 ILE HG2% A 42 GLN H 1.0 0.0 4.51 460 357 A 38 ILE HG2% A 19 PHE HBy 1.0 0.0 4.07 461 358 A 38 ILE HD1% A 19 PHE HBy 1.0 0.0 4.49 462 359 A 38 ILE HD1% A 23 ALA HA 1.0 0.0 4.73 463 360 A 38 ILE HD1% A 34 GLN HBy 1.0 0.0 5.50 464 361 A 38 ILE HD1% A 37 LEU HBx 1.0 0.0 4.44 465 362 A 38 ILE HD1% A 35 GLN HBx 1.0 0.0 4.95 466 362 A 38 ILE HD1% A 35 GLN HBy 1.0 0.0 4.95 467 363 A 38 ILE HD1% A 35 GLN HGx 1.0 0.0 5.32 468 364 A 38 ILE HD1% A 38 ILE HB 1.0 0.0 3.24 469 365 A 38 ILE HD1% A 37 LEU HG 1.0 0.0 5.36 470 366 A 38 ILE HD1% A 23 ALA HB% 1.0 0.0 3.15 471 367 A 38 ILE HD1% A 35 GLN HE2x 1.0 0.0 4.05 472 368 A 38 ILE HD1% A 23 ALA H 1.0 0.0 4.85 473 369 A 38 ILE HD1% A 38 ILE H 1.0 0.0 3.70 474 370 A 38 ILE HD1% A 37 LEU H 1.0 0.0 5.16 475 371 A 38 ILE HD1% A 39 ARG H 1.0 0.0 5.43 476 372 A 38 ILE HD1% A 19 PHE HD% 1.0 0.0 5.33 477 373 A 38 ILE HD1% A 22 TYR HD% 1.0 0.0 5.50 478 374 A 37 LEU HA A 37 LEU HDy% 1.0 0.0 5.05 479 375 A 23 ALA HA A 37 LEU HDy% 1.0 0.0 4.92 480 376 A 22 TYR HD% A 37 LEU HDy% 1.0 0.0 4.50 481 377 A 27 TYR HD% A 37 LEU HDy% 1.0 0.0 5.05 482 378 A 22 TYR HE% A 37 LEU HDy% 1.0 0.0 3.57 483 379 A 37 LEU H A 37 LEU HDy% 1.0 0.0 4.60 484 380 A 38 ILE H A 37 LEU HDy% 1.0 0.0 4.98 485 381 A 37 LEU HBx A 37 LEU HDy% 1.0 0.0 3.69 486 382 A 37 LEU HBy A 37 LEU HDy% 1.0 0.0 3.70 487 383 A 37 LEU HDy% A 41 LEU HDx% 1.0 0.0 4.60 488 384 A 23 ALA HA A 37 LEU HDx% 1.0 0.0 4.92 489 385 A 37 LEU HA A 37 LEU HDx% 1.0 0.0 5.05 490 386 A 37 LEU H A 37 LEU HDx% 1.0 0.0 4.60 491 387 A 22 TYR HD% A 37 LEU HDx% 1.0 0.0 4.50 492 388 A 27 TYR HD% A 37 LEU HDx% 1.0 0.0 5.05 493 389 A 38 ILE H A 37 LEU HDx% 1.0 0.0 4.98 494 390 A 37 LEU HBx A 37 LEU HDx% 1.0 0.0 3.69 495 391 A 37 LEU HBy A 37 LEU HDx% 1.0 0.0 3.70 496 392 A 41 LEU HDy% A 37 LEU HDx% 1.0 0.0 4.60 497 393 A 37 LEU HBx A 37 LEU H 1.0 0.0 3.87 498 394 A 27 TYR HD% A 37 LEU HBx 1.0 0.0 5.00 499 395 A 27 TYR HE% A 37 LEU HBx 1.0 0.0 4.62 500 396 A 22 TYR HE% A 37 LEU HG 1.0 0.0 4.93 501 397 A 37 LEU HG A 27 TYR HE% 1.0 0.0 5.50 502 398 A 37 LEU HG A 37 LEU H 1.0 0.0 4.68 503 399 A 37 LEU HG A 41 LEU HDx% 1.0 0.0 4.38 504 400 A 37 LEU HG A 41 LEU HDy% 1.0 0.0 4.38 505 401 A 50 MET HE% A 46 TYR HD% 1.0 0.0 4.59 506 402 A 50 MET HE% A 49 TYR HD% 1.0 0.0 4.07 507 403 A 50 MET HE% A 46 TYR HE% 1.0 0.0 3.67 508 404 A 50 MET HE% A 51 GLN H 1.0 0.0 4.86 509 405 A 50 MET HE% A 50 MET HA 1.0 0.0 3.75 510 406 A 50 MET HE% A 49 TYR HA 1.0 0.0 5.06 511 407 A 50 MET HE% A 4 LYS HA 1.0 0.0 5.50 512 408 A 50 MET HE% A 47 GLN HA 1.0 0.0 5.24 513 409 A 50 MET HE% A 53 LEU HDx% 1.0 0.0 3.37 514 409 A 50 MET HE% A 53 LEU HDy% 1.0 0.0 3.37 515 410 A 50 MET HE% A 7 ILE HG2% 1.0 0.0 3.95 516 411 A 47 GLN HA A 47 GLN HGy 1.0 0.0 4.25 517 411 A 47 GLN HA A 47 GLN HGx 1.0 0.0 4.25 518 412 A 46 TYR H A 46 TYR HBx 1.0 0.0 3.89 519 412 A 46 TYR HBy A 46 TYR H 1.0 0.0 3.89 520 413 A 43 GLU HA A 46 TYR HBx 1.0 0.0 4.35 521 413 A 46 TYR HBy A 43 GLU HA 1.0 0.0 4.35 522 414 A 46 TYR HD% A 46 TYR H 1.0 0.0 4.67 523 415 A 46 TYR HD% A 47 GLN H 1.0 0.0 4.91 524 416 A 46 TYR HD% A 46 TYR HA 1.0 0.0 3.86 525 417 A 46 TYR HD% A 47 GLN HA 1.0 0.0 4.69 526 418 A 46 TYR HD% A 47 GLN HGy 1.0 0.0 4.81 527 418 A 46 TYR HD% A 47 GLN HGx 1.0 0.0 4.81 528 419 A 46 TYR HD% A 8 MET HGy 1.0 0.0 4.82 529 420 A 46 TYR HD% A 7 ILE HG2% 1.0 0.0 3.61 530 421 A 41 LEU HBx A 41 LEU HDx% 1.0 0.0 3.86 531 422 A 41 LEU HBy A 41 LEU HDx% 1.0 0.0 3.86 532 423 A 41 LEU H A 41 LEU HG 1.0 0.0 4.14 533 424 A 41 LEU H A 41 LEU HDx% 1.0 0.0 4.20 534 425 A 35 GLN HA A 38 ILE HB 1.0 0.0 3.72 535 426 A 31 TYR HA A 35 GLN HGx 1.0 0.0 4.81 536 427 A 34 GLN HE2y A 24 ALA HA 1.0 0.0 4.26 537 428 A 27 TYR H A 28 PRO HDy 1.0 0.0 4.33 538 429 A 27 TYR HD% A 28 PRO HDx 1.0 0.0 5.15 539 430 A 27 TYR HD% A 28 PRO HDy 1.0 0.0 5.15 540 431 A 27 TYR HA A 28 PRO HDy 1.0 0.0 3.74 541 432 A 27 TYR HA A 28 PRO HDx 1.0 0.0 3.74 542 433 A 23 ALA H A 22 TYR HBy 1.0 0.0 4.53 543 434 A 23 ALA H A 22 TYR HBx 1.0 0.0 4.53 544 435 A 27 TYR HD% A 30 ASN HBx 1.0 0.0 4.78 545 436 A 43 GLU H A 43 GLU HGy 1.0 0.0 4.11 546 436 A 43 GLU HGx A 43 GLU H 1.0 0.0 4.11 547 437 A 35 GLN HGy A 35 GLN H 1.0 0.0 3.76 548 438 A 35 GLN HGy A 36 ILE H 1.0 0.0 5.12 549 439 A 31 TYR HD% A 35 GLN HGy 1.0 0.0 4.82 550 440 A 46 TYR H A 45 HIS HBx 1.0 0.0 4.88 551 441 A 46 TYR H A 45 HIS HBy 1.0 0.0 4.88 552 442 A 23 ALA H A 23 ALA HB% 1.0 0.0 3.27 553 443 A 23 ALA HB% A 38 ILE H 1.0 0.0 4.08 554 444 A 24 ALA H A 23 ALA HB% 1.0 0.0 3.60 555 445 A 23 ALA HB% A 25 GLN H 1.0 0.0 4.51 556 446 A 22 TYR HD% A 23 ALA HB% 1.0 0.0 4.49 557 447 A 34 GLN HE2y A 23 ALA HB% 1.0 0.0 5.41 558 448 A 20 GLN HA A 23 ALA HB% 1.0 0.0 3.43 559 449 A 23 ALA HB% A 34 GLN HA 1.0 0.0 3.26 560 450 A 38 ILE HA A 23 ALA HB% 1.0 0.0 4.89 561 451 A 34 GLN HGy A 23 ALA HB% 1.0 0.0 4.21 562 452 A 34 GLN HBy A 23 ALA HB% 1.0 0.0 3.84 563 453 A 23 ALA HB% A 34 GLN HGx 1.0 0.0 3.73 564 454 A 23 ALA HB% A 37 LEU HBx 1.0 0.0 3.93 565 455 A 23 ALA HB% A 34 GLN HBx 1.0 0.0 3.61 566 456 A 23 ALA HB% A 38 ILE HG1y 1.0 0.0 3.99 567 457 A 23 ALA HB% A 38 ILE HG1x 1.0 0.0 3.99 568 458 A 35 GLN H A 33 GLN HBx 1.0 0.0 5.31 569 459 A 35 GLN H A 33 GLN HBy 1.0 0.0 5.20 570 460 A 27 TYR HD% A 33 GLN HBy 1.0 0.0 4.84 571 461 A 27 TYR HD% A 33 GLN HBx 1.0 0.0 4.55 572 462 A 30 ASN HBy A 33 GLN HBx 1.0 0.0 4.61 573 463 A 27 TYR HBx A 33 GLN HBy 1.0 0.0 5.02 574 464 A 59 ALA H A 58 LEU HG 1.0 0.0 4.65 575 465 A 58 LEU HG A 58 LEU HA 1.0 0.0 4.05 576 466 A 58 LEU HG A 55 GLN HA 1.0 0.0 4.44 577 467 A 58 LEU HG A 55 GLN HGx 1.0 0.0 5.50 578 467 A 58 LEU HG A 55 GLN HGy 1.0 0.0 5.50 579 468 A 58 LEU HG A 55 GLN HBx 1.0 0.0 5.50 580 468 A 55 GLN HBy A 58 LEU HG 1.0 0.0 5.50 581 469 A 58 LEU HG A 57 GLN HBy 1.0 0.0 5.50 582 470 A 39 ARG HA A 39 ARG HGy 1.0 0.0 4.03 583 471 A 39 ARG HA A 39 ARG HGx 1.0 0.0 4.03 584 472 A 26 GLN HBx A 26 GLN H 1.0 0.0 4.00 585 473 A 27 TYR HD% A 26 GLN HBy 1.0 0.0 4.93 586 474 A 40 GLN H A 39 ARG HBx 1.0 0.0 3.92 587 474 A 40 GLN H A 39 ARG HBy 1.0 0.0 3.92 588 475 A 39 ARG H A 39 ARG HBx 1.0 0.0 3.61 589 475 A 39 ARG H A 39 ARG HBy 1.0 0.0 3.61 590 476 A 35 GLN HGx A 36 ILE H 1.0 0.0 4.66 591 477 A 32 GLU HA A 35 GLN HGx 1.0 0.0 4.18 592 478 A 32 GLU HA A 35 GLN HGy 1.0 0.0 4.19 593 479 A 35 GLN HA A 35 GLN HGx 1.0 0.0 3.91 594 480 A 35 GLN HA A 35 GLN HGy 1.0 0.0 4.03 595 481 A 45 HIS HA A 48 GLN HBy 1.0 0.0 4.44 596 482 A 45 HIS HA A 48 GLN HBx 1.0 0.0 4.44 597 483 A 31 TYR HBy A 32 GLU HGx 1.0 0.0 4.79 598 483 A 32 GLU HGy A 31 TYR HBy 1.0 0.0 4.79 599 484 A 30 ASN HBy A 32 GLU HGx 1.0 0.0 4.82 600 484 A 32 GLU HGy A 30 ASN HBy 1.0 0.0 4.82 601 485 A 30 ASN HBy A 33 GLN HBy 1.0 0.0 4.59 602 486 A 51 GLN HA A 54 TYR HBx 1.0 0.0 3.68 603 486 A 51 GLN HA A 54 TYR HBy 1.0 0.0 3.68 604 487 A 39 ARG HA A 39 ARG HDx 1.0 0.0 4.33 605 487 A 39 ARG HA A 39 ARG HDy 1.0 0.0 4.33 606 488 A 39 ARG HBx A 39 ARG HDx 1.0 0.0 3.71 607 488 A 39 ARG HBy A 39 ARG HDx 1.0 0.0 3.71 608 488 A 39 ARG HDy A 39 ARG HBx 1.0 0.0 3.71 609 488 A 39 ARG HBy A 39 ARG HDy 1.0 0.0 3.71 610 489 A 14 GLN HA A 14 GLN HGy 1.0 0.0 4.03 611 490 A 32 GLU HBy A 32 GLU HGx 1.0 0.0 2.70 612 490 A 32 GLU HGy A 32 GLU HBy 1.0 0.0 2.70 613 491 A 32 GLU HBx A 32 GLU HGx 1.0 0.0 2.90 614 491 A 32 GLU HGy A 32 GLU HBx 1.0 0.0 2.90 615 492 A 33 GLN HA A 32 GLU HGx 1.0 0.0 4.81 616 492 A 32 GLU HGy A 33 GLN HA 1.0 0.0 4.81 617 493 A 18 GLN HA A 18 GLN HGy 1.0 0.0 3.51 618 493 A 18 GLN HA A 18 GLN HGx 1.0 0.0 3.51 619 494 A 15 THR HA A 18 GLN HBy 1.0 0.0 4.97 620 495 A 16 ALA HB% A 17 VAL HA 1.0 0.0 4.06 621 496 A 16 ALA HB% A 17 VAL HB 1.0 0.0 4.29 622 497 A 57 GLN H A 58 LEU H 1.0 0.0 3.38 623 498 A 54 TYR HE% A 58 LEU H 1.0 0.0 5.50 624 499 A 56 VAL H A 57 GLN H 1.0 0.0 3.30 625 500 A 55 GLN H A 58 LEU H 1.0 0.0 5.29 626 501 A 54 TYR H A 54 TYR HD% 1.0 0.0 4.24 627 502 A 9 ALA H A 10 ALA H 1.0 0.0 3.75 628 503 A 35 GLN H A 36 ILE H 1.0 0.0 3.66 629 504 A 36 ILE H A 37 LEU H 1.0 0.0 3.71 630 505 A 37 LEU H A 38 ILE H 1.0 0.0 4.23 631 506 A 39 ARG H A 38 ILE H 1.0 0.0 4.51 632 507 A 39 ARG H A 40 GLN H 1.0 0.0 4.00 633 508 A 41 LEU H A 40 GLN H 1.0 0.0 3.91 634 509 A 43 GLU H A 42 GLN H 1.0 0.0 4.39 635 510 A 35 GLN H A 34 GLN H 1.0 0.0 3.58 636 511 A 33 GLN H A 34 GLN H 1.0 0.0 3.45 637 512 A 33 GLN H A 32 GLU H 1.0 0.0 3.42 638 513 A 32 GLU H A 31 TYR H 1.0 0.0 3.68 639 514 A 31 TYR HD% A 32 GLU H 1.0 0.0 4.20 640 515 A 31 TYR HD% A 31 TYR H 1.0 0.0 4.35 641 516 A 31 TYR H A 30 ASN H 1.0 0.0 4.47 642 517 A 30 ASN H A 29 GLY H 1.0 0.0 4.11 643 518 A 34 GLN HE2y A 30 ASN H 1.0 0.0 3.67 644 519 A 30 ASN H A 34 GLN HE2x 1.0 0.0 3.77 645 520 A 34 GLN HE2y A 29 GLY H 1.0 0.0 4.73 646 521 A 29 GLY H A 34 GLN HE2x 1.0 0.0 4.75 647 522 A 27 TYR HD% A 27 TYR H 1.0 0.0 4.01 648 523 A 27 TYR H A 26 GLN H 1.0 0.0 3.49 649 524 A 24 ALA H A 25 GLN H 1.0 0.0 3.74 650 525 A 25 GLN H A 26 GLN H 1.0 0.0 3.52 651 526 A 23 ALA H A 24 ALA H 1.0 0.0 4.62 652 527 A 18 GLN H A 16 ALA H 1.0 0.0 4.49 653 528 A 18 GLN H A 19 PHE H 1.0 0.0 4.29 654 529 A 22 TYR H A 23 ALA H 1.0 0.0 4.53 655 530 A 22 TYR H A 21 GLN H 1.0 0.0 3.96 656 531 A 20 GLN H A 19 PHE H 1.0 0.0 3.72 657 532 A 20 GLN H A 21 GLN H 1.0 0.0 3.67 658 533 A 17 VAL H A 18 GLN H 1.0 0.0 3.70 659 534 A 17 VAL H A 16 ALA H 1.0 0.0 4.54 660 535 A 15 THR H A 16 ALA H 1.0 0.0 4.21 661 536 A 15 THR H A 14 GLN H 1.0 0.0 4.11 662 537 A 12 ASN H A 13 SER H 1.0 0.0 4.50 663 538 A 11 LEU H A 12 ASN H 1.0 0.0 4.03 664 539 A 10 ALA H A 11 LEU H 1.0 0.0 3.95 665 540 A 10 ALA H A 8 MET H 1.0 0.0 5.33 666 541 A 36 ILE H A 38 ILE H 1.0 0.0 5.50 667 542 A 9 ALA H A 8 MET H 1.0 0.0 3.90 668 543 A 8 MET H A 7 ILE H 1.0 0.0 3.65 669 544 A 7 ILE H A 6 GLN H 1.0 0.0 3.60 670 545 A 5 GLN H A 6 GLN H 1.0 0.0 3.72 671 546 A 55 GLN H A 54 TYR HD% 1.0 0.0 4.42 672 547 A 46 TYR HD% A 50 MET H 1.0 0.0 5.29 673 548 A 47 GLN H A 46 TYR HBx 1.0 0.0 4.90 674 548 A 46 TYR HBy A 47 GLN H 1.0 0.0 4.90 675 549 A 27 TYR HBx A 30 ASN H 1.0 0.0 4.79 676 550 A 27 TYR HBx A 34 GLN H 1.0 0.0 4.86 677 551 A 50 MET H A 49 TYR H 1.0 0.0 4.41 678 552 A 51 GLN H A 50 MET H 1.0 0.0 3.87 679 553 A 51 GLN H A 47 GLN HA 1.0 0.0 5.21 680 554 A 63 ALA H A 64 ALA H 1.0 0.0 3.21 681 555 A 62 GLN H A 64 ALA H 1.0 0.0 4.31 682 556 A 62 GLN H A 63 ALA H 1.0 0.0 3.38 683 557 A 49 TYR H A 48 GLN H 1.0 0.0 4.03 684 558 A 27 TYR H A 25 GLN H 1.0 0.0 4.55 685 559 A 34 GLN HE2y A 28 PRO HA 1.0 0.0 4.92 686 560 A 31 TYR HA A 34 GLN HE2y 1.0 0.0 5.50 687 561 A 53 LEU H A 54 TYR HBx 1.0 0.0 4.86 688 561 A 54 TYR HBy A 53 LEU H 1.0 0.0 4.86 689 562 A 48 GLN H A 48 GLN HBy 1.0 0.0 3.69 690 563 A 51 GLN H A 48 GLN H 1.0 0.0 5.27 691 564 A 50 MET H A 47 GLN HA 1.0 0.0 5.00 692 565 A 30 ASN HBy A 32 GLU H 1.0 0.0 4.51 693 566 A 32 GLU H A 31 TYR HBx 1.0 0.0 4.73 694 567 A 31 TYR H A 31 TYR HBx 1.0 0.0 3.54 695 568 A 54 TYR H A 54 TYR HBx 1.0 0.0 3.22 696 568 A 54 TYR HBy A 54 TYR H 1.0 0.0 3.22 697 569 A 33 GLN H A 30 ASN HBy 1.0 0.0 4.36 698 570 A 30 ASN HBy A 30 ASN H 1.0 0.0 3.63 699 571 A 68 GLN HA A 69 GLN H 1.0 0.0 3.03 700 572 A 67 LYS HA A 68 GLN H 1.0 0.0 3.18 701 573 A 68 GLN H A 68 GLN HGx 1.0 0.0 4.24 702 573 A 68 GLN H A 68 GLN HGy 1.0 0.0 4.24 703 574 A 68 GLN H A 68 GLN HBy 1.0 0.0 4.08 704 575 A 68 GLN H A 68 GLN HBx 1.0 0.0 4.08 705 576 A 68 GLN H A 67 LYS HBx 1.0 0.0 4.68 706 577 A 68 GLN H A 67 LYS HBy 1.0 0.0 4.68 707 578 A 69 GLN H A 68 GLN H 1.0 0.0 4.02 708 579 A 68 GLN H A 67 LYS H 1.0 0.0 3.79 709 580 A 67 LYS H A 66 GLN HA 1.0 0.0 3.22 710 581 A 67 LYS H A 67 LYS HBx 1.0 0.0 3.68 711 582 A 67 LYS H A 67 LYS HBy 1.0 0.0 3.68 712 583 A 67 LYS H A 67 LYS HGx 1.0 0.0 4.26 713 583 A 67 LYS H A 67 LYS HGy 1.0 0.0 4.26 714 584 A 67 LYS H A 66 GLN HGx 1.0 0.0 5.50 715 584 A 67 LYS H A 66 GLN HGy 1.0 0.0 5.50 716 585 A 67 LYS H A 68 GLN HGx 1.0 0.0 5.50 717 585 A 68 GLN HGy A 67 LYS H 1.0 0.0 5.50 718 586 A 65 LEU HDx% A 66 GLN H 1.0 0.0 4.76 719 587 A 65 LEU HDy% A 66 GLN H 1.0 0.0 5.50 720 588 A 65 LEU HBy A 66 GLN H 1.0 0.0 3.70 721 589 A 65 LEU HBx A 66 GLN H 1.0 0.0 3.68 722 590 A 66 GLN H A 66 GLN HGx 1.0 0.0 3.32 723 590 A 66 GLN HGy A 66 GLN H 1.0 0.0 3.32 724 591 A 66 GLN HA A 66 GLN H 1.0 0.0 2.93 725 592 A 67 LYS H A 66 GLN H 1.0 0.0 3.12 726 593 A 65 LEU H A 66 GLN H 1.0 0.0 2.89 727 594 A 65 LEU H A 64 ALA H 1.0 0.0 2.74 728 595 A 65 LEU H A 67 LYS H 1.0 0.0 4.93 729 596 A 62 GLN H A 65 LEU H 1.0 0.0 4.80 730 597 A 65 LEU H A 65 LEU HA 1.0 0.0 2.91 731 598 A 65 LEU H A 62 GLN HA 1.0 0.0 3.53 732 599 A 65 LEU H A 65 LEU HG 1.0 0.0 2.86 733 600 A 65 LEU H A 65 LEU HBx 1.0 0.0 3.15 734 601 A 65 LEU H A 64 ALA HB% 1.0 0.0 2.94 735 602 A 65 LEU HDx% A 65 LEU H 1.0 0.0 3.84 736 603 A 65 LEU H A 65 LEU HDy% 1.0 0.0 4.36 737 604 A 65 LEU H A 66 GLN HGx 1.0 0.0 4.57 738 604 A 65 LEU H A 66 GLN HGy 1.0 0.0 4.57 739 605 A 65 LEU H A 61 GLN HBx 1.0 0.0 5.42 740 605 A 61 GLN HBy A 65 LEU H 1.0 0.0 5.42 741 606 A 65 LEU H A 62 GLN HBx 1.0 0.0 5.50 742 606 A 62 GLN HBy A 65 LEU H 1.0 0.0 5.50 743 607 A 53 LEU H A 53 LEU HBx 1.0 0.0 2.58 744 607 A 53 LEU HBy A 53 LEU H 1.0 0.0 2.58 745 608 A 64 ALA H A 64 ALA HB% 1.0 0.0 2.77 746 609 A 65 LEU HG A 64 ALA H 1.0 0.0 4.43 747 610 A 63 ALA H A 62 GLN HGx 1.0 0.0 4.73 748 611 A 63 ALA H A 62 GLN HGy 1.0 0.0 4.73 749 612 A 63 ALA H A 62 GLN HBx 1.0 0.0 3.67 750 612 A 62 GLN HBy A 63 ALA H 1.0 0.0 3.67 751 613 A 63 ALA H A 63 ALA HB% 1.0 0.0 2.54 752 614 A 63 ALA H A 63 ALA HA 1.0 0.0 2.92 753 615 A 62 GLN HA A 63 ALA H 1.0 0.0 3.56 754 616 A 65 LEU H A 63 ALA H 1.0 0.0 4.05 755 617 A 62 GLN H A 62 GLN HGy 1.0 0.0 3.35 756 618 A 48 GLN H A 48 GLN HBx 1.0 0.0 3.69 757 619 A 62 GLN H A 61 GLN HBx 1.0 0.0 3.35 758 619 A 61 GLN HBy A 62 GLN H 1.0 0.0 3.35 759 620 A 62 GLN H A 62 GLN HBx 1.0 0.0 2.69 760 620 A 62 GLN HBy A 62 GLN H 1.0 0.0 2.69 761 621 A 59 ALA HB% A 62 GLN H 1.0 0.0 4.95 762 622 A 62 GLN H A 63 ALA HB% 1.0 0.0 5.20 763 623 A 62 GLN H A 58 LEU HDx% 1.0 0.0 4.94 764 623 A 58 LEU HDy% A 62 GLN H 1.0 0.0 4.94 765 624 A 61 GLN H A 61 GLN HBx 1.0 0.0 2.58 766 624 A 61 GLN HBy A 61 GLN H 1.0 0.0 2.58 767 625 A 61 GLN H A 61 GLN HGy 1.0 0.0 3.62 768 626 A 61 GLN H A 61 GLN HGx 1.0 0.0 3.62 769 627 A 59 ALA HB% A 61 GLN H 1.0 0.0 4.88 770 628 A 61 GLN H A 63 ALA HB% 1.0 0.0 5.36 771 629 A 61 GLN H A 58 LEU HDx% 1.0 0.0 4.71 772 629 A 58 LEU HDy% A 61 GLN H 1.0 0.0 4.71 773 630 A 20 GLN H A 17 VAL HA 1.0 0.0 3.94 774 631 A 59 ALA H A 61 GLN H 1.0 0.0 4.36 775 632 A 61 GLN H A 62 GLN H 1.0 0.0 2.86 776 633 A 60 GLN HA A 60 GLN H 1.0 0.0 2.85 777 634 A 57 GLN HA A 60 GLN H 1.0 0.0 4.04 778 635 A 56 VAL HA A 60 GLN H 1.0 0.0 4.68 779 636 A 60 GLN H A 60 GLN HGy 1.0 0.0 3.48 780 637 A 60 GLN H A 60 GLN HGx 1.0 0.0 3.48 781 638 A 60 GLN H A 60 GLN HBx 1.0 0.0 2.76 782 638 A 60 GLN H A 60 GLN HBy 1.0 0.0 2.76 783 639 A 59 ALA HB% A 60 GLN H 1.0 0.0 2.95 784 640 A 56 VAL HGx% A 60 GLN H 1.0 0.0 4.63 785 641 A 60 GLN H A 58 LEU HDx% 1.0 0.0 5.50 786 641 A 58 LEU HDy% A 60 GLN H 1.0 0.0 5.50 787 642 A 59 ALA H A 56 VAL HGx% 1.0 0.0 5.12 788 643 A 59 ALA H A 58 LEU HDx% 1.0 0.0 4.27 789 643 A 59 ALA H A 58 LEU HDy% 1.0 0.0 4.27 790 644 A 59 ALA H A 56 VAL HGy% 1.0 0.0 5.49 791 645 A 59 ALA H A 59 ALA HB% 1.0 0.0 2.61 792 646 A 59 ALA H A 56 VAL HA 1.0 0.0 3.75 793 647 A 59 ALA H A 55 GLN HA 1.0 0.0 4.38 794 648 A 59 ALA H A 60 GLN H 1.0 0.0 2.94 795 649 A 59 ALA H A 58 LEU H 1.0 0.0 3.00 796 650 A 58 LEU H A 58 LEU HDx% 1.0 0.0 3.38 797 650 A 58 LEU HDy% A 58 LEU H 1.0 0.0 3.38 798 651 A 58 LEU HG A 58 LEU H 1.0 0.0 3.05 799 652 A 58 LEU H A 58 LEU HBx 1.0 0.0 2.68 800 652 A 58 LEU HBy A 58 LEU H 1.0 0.0 2.68 801 653 A 57 GLN HBy A 58 LEU H 1.0 0.0 3.31 802 654 A 57 GLN HBx A 58 LEU H 1.0 0.0 3.36 803 655 A 56 VAL HA A 58 LEU H 1.0 0.0 4.80 804 656 A 58 LEU HA A 58 LEU H 1.0 0.0 2.94 805 657 A 55 GLN HA A 58 LEU H 1.0 0.0 3.81 806 658 A 54 TYR HA A 58 LEU H 1.0 0.0 4.53 807 659 A 57 GLN HBx A 57 GLN H 1.0 0.0 3.28 808 660 A 57 GLN H A 57 GLN HGy 1.0 0.0 3.71 809 661 A 57 GLN H A 57 GLN HGx 1.0 0.0 3.71 810 662 A 56 VAL HB A 57 GLN H 1.0 0.0 2.89 811 663 A 54 TYR HA A 57 GLN H 1.0 0.0 4.01 812 664 A 53 LEU HA A 57 GLN H 1.0 0.0 4.50 813 665 A 55 GLN HA A 57 GLN H 1.0 0.0 4.93 814 666 A 56 VAL HGx% A 57 GLN H 1.0 0.0 3.83 815 667 A 56 VAL HGy% A 57 GLN H 1.0 0.0 4.01 816 668 A 57 GLN H A 58 LEU HBx 1.0 0.0 4.84 817 668 A 58 LEU HBy A 57 GLN H 1.0 0.0 4.84 818 669 A 58 LEU HG A 57 GLN H 1.0 0.0 5.01 819 670 A 59 ALA HB% A 57 GLN H 1.0 0.0 5.37 820 671 A 57 GLN H A 58 LEU HDx% 1.0 0.0 4.99 821 671 A 58 LEU HDy% A 57 GLN H 1.0 0.0 4.99 822 672 A 57 GLN H A 53 LEU HDx% 1.0 0.0 4.98 823 672 A 53 LEU HDy% A 57 GLN H 1.0 0.0 4.98 824 673 A 56 VAL HGy% A 56 VAL H 1.0 0.0 2.86 825 674 A 56 VAL H A 56 VAL HGx% 1.0 0.0 3.86 826 675 A 56 VAL H A 53 LEU HDx% 1.0 0.0 5.19 827 675 A 53 LEU HDy% A 56 VAL H 1.0 0.0 5.19 828 676 A 56 VAL H A 59 ALA HB% 1.0 0.0 4.62 829 677 A 56 VAL H A 55 GLN HGx 1.0 0.0 3.89 830 677 A 55 GLN HGy A 56 VAL H 1.0 0.0 3.89 831 678 A 56 VAL H A 55 GLN HBx 1.0 0.0 3.19 832 678 A 55 GLN HBy A 56 VAL H 1.0 0.0 3.19 833 679 A 57 GLN HBx A 56 VAL H 1.0 0.0 4.68 834 680 A 52 GLN HA A 56 VAL H 1.0 0.0 4.60 835 681 A 53 LEU HA A 56 VAL H 1.0 0.0 3.85 836 682 A 56 VAL H A 58 LEU H 1.0 0.0 4.36 837 683 A 56 VAL HGy% A 55 GLN H 1.0 0.0 4.31 838 684 A 55 GLN H A 58 LEU HDx% 1.0 0.0 4.95 839 684 A 55 GLN H A 58 LEU HDy% 1.0 0.0 4.95 840 685 A 55 GLN H A 58 LEU HBx 1.0 0.0 5.50 841 685 A 58 LEU HBy A 55 GLN H 1.0 0.0 5.50 842 686 A 55 GLN H A 53 LEU HBx 1.0 0.0 5.50 843 686 A 53 LEU HBy A 55 GLN H 1.0 0.0 5.50 844 687 A 55 GLN H A 58 LEU HG 1.0 0.0 5.50 845 688 A 55 GLN H A 55 GLN HBx 1.0 0.0 2.98 846 688 A 55 GLN H A 55 GLN HBy 1.0 0.0 2.98 847 689 A 55 GLN H A 55 GLN HGx 1.0 0.0 3.20 848 689 A 55 GLN H A 55 GLN HGy 1.0 0.0 3.20 849 690 A 52 GLN HA A 55 GLN H 1.0 0.0 3.80 850 691 A 55 GLN H A 54 TYR HE% 1.0 0.0 4.90 851 692 A 51 GLN HA A 54 TYR H 1.0 0.0 4.10 852 693 A 52 GLN HA A 54 TYR H 1.0 0.0 4.53 853 694 A 54 TYR H A 55 GLN HGx 1.0 0.0 4.46 854 694 A 54 TYR H A 55 GLN HGy 1.0 0.0 4.46 855 695 A 54 TYR H A 53 LEU HBx 1.0 0.0 3.29 856 695 A 53 LEU HBy A 54 TYR H 1.0 0.0 3.29 857 696 A 54 TYR H A 53 LEU HG 1.0 0.0 4.87 858 697 A 56 VAL HGy% A 54 TYR H 1.0 0.0 4.92 859 698 A 53 LEU H A 54 TYR H 1.0 0.0 3.26 860 699 A 54 TYR H A 55 GLN H 1.0 0.0 3.59 861 700 A 53 LEU H A 53 LEU HG 1.0 0.0 3.59 862 701 A 53 LEU H A 52 GLN HBx 1.0 0.0 4.16 863 702 A 52 GLN HBy A 53 LEU H 1.0 0.0 3.55 864 703 A 53 LEU H A 52 GLN HGx 1.0 0.0 5.17 865 704 A 53 LEU H A 55 GLN HGx 1.0 0.0 5.44 866 704 A 53 LEU H A 55 GLN HGy 1.0 0.0 5.44 867 705 A 50 MET HE% A 53 LEU H 1.0 0.0 5.50 868 706 A 52 GLN HBy A 52 GLN H 1.0 0.0 3.23 869 707 A 52 GLN HBx A 52 GLN H 1.0 0.0 3.44 870 708 A 6 GLN H A 6 GLN HGx 1.0 0.0 3.73 871 709 A 51 GLN H A 50 MET HBy 1.0 0.0 4.20 872 710 A 51 GLN H A 50 MET HBx 1.0 0.0 4.20 873 711 A 56 VAL H A 54 TYR HBx 1.0 0.0 4.79 874 711 A 54 TYR HBy A 56 VAL H 1.0 0.0 4.79 875 712 A 50 MET HE% A 50 MET H 1.0 0.0 3.92 876 713 A 50 MET H A 50 MET HBy 1.0 0.0 4.19 877 714 A 50 MET H A 50 MET HBx 1.0 0.0 4.19 878 715 A 49 TYR H A 48 GLN HBy 1.0 0.0 4.84 879 716 A 49 TYR H A 48 GLN HBx 1.0 0.0 4.84 880 717 A 47 GLN H A 47 GLN HGy 1.0 0.0 4.28 881 717 A 47 GLN HGx A 47 GLN H 1.0 0.0 4.28 882 718 A 47 GLN H A 47 GLN HBx 1.0 0.0 4.12 883 718 A 47 GLN H A 47 GLN HBy 1.0 0.0 4.12 884 719 A 47 GLN H A 48 GLN H 1.0 0.0 4.10 885 720 A 20 GLN H A 19 PHE HD% 1.0 0.0 4.67 886 721 A 43 GLU HA A 46 TYR H 1.0 0.0 4.39 887 722 A 42 GLN H A 41 LEU HBx 1.0 0.0 4.50 888 723 A 42 GLN H A 41 LEU HDx% 1.0 0.0 5.37 889 724 A 42 GLN H A 41 LEU HDy% 1.0 0.0 5.37 890 725 A 42 GLN H A 41 LEU HBy 1.0 0.0 4.50 891 726 A 42 GLN H A 42 GLN HBx 1.0 0.0 3.91 892 727 A 42 GLN H A 42 GLN HBy 1.0 0.0 3.91 893 728 A 42 GLN H A 42 GLN HGy 1.0 0.0 4.40 894 729 A 42 GLN H A 39 ARG HA 1.0 0.0 4.22 895 730 A 19 PHE HD% A 42 GLN H 1.0 0.0 4.78 896 731 A 42 GLN H A 19 PHE HE% 1.0 0.0 5.01 897 732 A 42 GLN H A 40 GLN H 1.0 0.0 4.95 898 733 A 40 GLN H A 41 LEU HG 1.0 0.0 5.50 899 734 A 35 GLN HA A 38 ILE H 1.0 0.0 4.15 900 735 A 37 LEU HBx A 38 ILE H 1.0 0.0 4.21 901 736 A 38 ILE H A 38 ILE HG1y 1.0 0.0 4.12 902 737 A 38 ILE HB A 38 ILE H 1.0 0.0 3.39 903 738 A 37 LEU HG A 38 ILE H 1.0 0.0 4.64 904 739 A 38 ILE H A 38 ILE HG1x 1.0 0.0 4.12 905 740 A 38 ILE H A 41 LEU HDx% 1.0 0.0 5.50 906 741 A 38 ILE H A 41 LEU HDy% 1.0 0.0 5.50 907 742 A 23 ALA HB% A 37 LEU H 1.0 0.0 5.38 908 743 A 34 GLN HA A 37 LEU H 1.0 0.0 5.32 909 744 A 35 GLN HA A 37 LEU H 1.0 0.0 5.50 910 745 A 10 ALA H A 6 GLN HA 1.0 0.0 5.00 911 746 A 10 ALA H A 8 MET HA 1.0 0.0 4.63 912 747 A 10 ALA H A 11 LEU HA 1.0 0.0 5.49 913 748 A 32 GLU HA A 36 ILE H 1.0 0.0 4.85 914 749 A 10 ALA H A 7 ILE HA 1.0 0.0 4.07 915 750 A 33 GLN HA A 36 ILE H 1.0 0.0 3.61 916 751 A 36 ILE HG1x A 36 ILE H 1.0 0.0 3.51 917 752 A 36 ILE H A 36 ILE HG2% 1.0 0.0 3.88 918 753 A 36 ILE HD1% A 36 ILE H 1.0 0.0 3.46 919 754 A 36 ILE H A 36 ILE HG1y 1.0 0.0 3.00 920 755 A 36 ILE H A 35 GLN HBx 1.0 0.0 3.40 921 755 A 36 ILE H A 35 GLN HBy 1.0 0.0 3.40 922 756 A 36 ILE H A 32 GLU HGx 1.0 0.0 5.50 923 756 A 32 GLU HGy A 36 ILE H 1.0 0.0 5.50 924 757 A 34 GLN HBy A 36 ILE H 1.0 0.0 5.50 925 758 A 34 GLN H A 33 GLN HBx 1.0 0.0 3.86 926 759 A 34 GLN H A 33 GLN HBy 1.0 0.0 3.91 927 760 A 23 ALA HB% A 34 GLN H 1.0 0.0 4.55 928 761 A 34 GLN H A 33 GLN HGx 1.0 0.0 4.14 929 761 A 33 GLN HGy A 34 GLN H 1.0 0.0 4.14 930 762 A 34 GLN H A 35 GLN HBx 1.0 0.0 5.28 931 762 A 34 GLN H A 35 GLN HBy 1.0 0.0 5.28 932 763 A 35 GLN HGx A 34 GLN H 1.0 0.0 5.50 933 764 A 34 GLN HBx A 34 GLN H 1.0 0.0 3.59 934 765 A 34 GLN HBy A 34 GLN H 1.0 0.0 3.40 935 766 A 34 GLN H A 34 GLN HGx 1.0 0.0 3.55 936 767 A 27 TYR HBy A 34 GLN H 1.0 0.0 4.55 937 768 A 30 ASN HBy A 34 GLN H 1.0 0.0 3.59 938 769 A 31 TYR HA A 34 GLN H 1.0 0.0 3.56 939 770 A 27 TYR HD% A 34 GLN H 1.0 0.0 4.36 940 771 A 34 GLN H A 36 ILE H 1.0 0.0 4.38 941 772 A 34 GLN H A 31 TYR H 1.0 0.0 5.04 942 773 A 33 GLN H A 35 GLN H 1.0 0.0 4.20 943 774 A 33 GLN H A 31 TYR H 1.0 0.0 4.66 944 775 A 33 GLN H A 30 ASN HD2y 1.0 0.0 4.15 945 776 A 33 GLN H A 32 GLU HBx 1.0 0.0 3.56 946 777 A 33 GLN H A 32 GLU HGx 1.0 0.0 3.66 947 777 A 32 GLU HGy A 33 GLN H 1.0 0.0 3.66 948 778 A 33 GLN H A 30 ASN HBx 1.0 0.0 4.55 949 779 A 33 GLN H A 33 GLN HGx 1.0 0.0 3.30 950 779 A 33 GLN H A 33 GLN HGy 1.0 0.0 3.30 951 780 A 33 GLN H A 33 GLN HBy 1.0 0.0 3.26 952 781 A 33 GLN H A 33 GLN HBx 1.0 0.0 3.60 953 782 A 33 GLN H A 36 ILE HD1% 1.0 0.0 4.27 954 783 A 33 GLN HBy A 32 GLU H 1.0 0.0 5.20 955 784 A 32 GLU H A 32 GLU HGx 1.0 0.0 3.17 956 784 A 32 GLU HGy A 32 GLU H 1.0 0.0 3.17 957 785 A 32 GLU HBy A 32 GLU H 1.0 0.0 2.95 958 786 A 32 GLU HBx A 32 GLU H 1.0 0.0 3.62 959 787 A 32 GLU H A 33 GLN HGx 1.0 0.0 4.85 960 787 A 33 GLN HGy A 32 GLU H 1.0 0.0 4.85 961 788 A 31 TYR HBy A 32 GLU H 1.0 0.0 3.38 962 789 A 33 GLN HA A 32 GLU H 1.0 0.0 5.46 963 790 A 32 GLU H A 30 ASN HA 1.0 0.0 4.17 964 791 A 34 GLN H A 32 GLU H 1.0 0.0 4.21 965 792 A 35 GLN H A 32 GLU H 1.0 0.0 5.34 966 793 A 31 TYR HE% A 32 GLU H 1.0 0.0 5.31 967 794 A 31 TYR H A 30 ASN HA 1.0 0.0 2.96 968 795 A 31 TYR HBy A 31 TYR H 1.0 0.0 3.30 969 796 A 30 ASN HBx A 31 TYR H 1.0 0.0 4.65 970 797 A 31 TYR H A 32 GLU HGx 1.0 0.0 4.73 971 797 A 32 GLU HGy A 31 TYR H 1.0 0.0 4.73 972 798 A 30 ASN H A 28 PRO HBy 1.0 0.0 5.26 973 799 A 30 ASN H A 28 PRO HBx 1.0 0.0 5.50 974 800 A 34 GLN HBy A 30 ASN H 1.0 0.0 5.50 975 801 A 34 GLN HGx A 30 ASN H 1.0 0.0 4.59 976 802 A 30 ASN HBx A 30 ASN H 1.0 0.0 3.46 977 803 A 27 TYR HBy A 30 ASN H 1.0 0.0 4.65 978 804 A 30 ASN H A 28 PRO HA 1.0 0.0 4.05 979 805 A 29 GLY H A 28 PRO HA 1.0 0.0 3.55 980 806 A 34 GLN HGx A 29 GLY H 1.0 0.0 5.25 981 807 A 29 GLY H A 28 PRO HGx 1.0 0.0 4.77 982 807 A 29 GLY H A 28 PRO HGy 1.0 0.0 4.77 983 808 A 23 ALA HB% A 27 TYR H 1.0 0.0 4.23 984 809 A 26 GLN HBx A 27 TYR H 1.0 0.0 3.40 985 810 A 27 TYR H A 26 GLN HBy 1.0 0.0 4.03 986 811 A 27 TYR H A 28 PRO HBx 1.0 0.0 5.50 987 812 A 34 GLN HGx A 27 TYR H 1.0 0.0 4.68 988 813 A 27 TYR HBy A 27 TYR H 1.0 0.0 3.81 989 814 A 27 TYR H A 28 PRO HDx 1.0 0.0 4.33 990 815 A 27 TYR HBx A 27 TYR H 1.0 0.0 3.47 991 816 A 34 GLN HGy A 27 TYR H 1.0 0.0 4.71 992 817 A 13 SER H A 13 SER HBx 1.0 0.0 3.29 993 817 A 13 SER HBy A 13 SER H 1.0 0.0 3.29 994 818 A 23 ALA HA A 27 TYR H 1.0 0.0 4.21 995 819 A 24 ALA HA A 27 TYR H 1.0 0.0 4.57 996 820 A 23 ALA HA A 26 GLN H 1.0 0.0 4.58 997 821 A 26 GLN H A 26 GLN HGx 1.0 0.0 4.43 998 822 A 26 GLN H A 26 GLN HGy 1.0 0.0 4.43 999 823 A 26 GLN H A 28 PRO HBx 1.0 0.0 5.50 1000 824 A 24 ALA HB% A 25 GLN H 1.0 0.0 3.12 1001 825 A 25 GLN H A 26 GLN HBy 1.0 0.0 4.77 1002 826 A 25 GLN H A 25 GLN HBy 1.0 0.0 3.40 1003 827 A 25 GLN H A 25 GLN HBx 1.0 0.0 3.40 1004 828 A 22 TYR HA A 25 GLN H 1.0 0.0 3.93 1005 829 A 22 TYR HD% A 25 GLN H 1.0 0.0 5.08 1006 830 A 23 ALA H A 25 GLN H 1.0 0.0 4.70 1007 831 A 24 ALA H A 21 GLN HA 1.0 0.0 4.44 1008 832 A 22 TYR H A 24 ALA H 1.0 0.0 4.33 1009 833 A 20 GLN HA A 23 ALA H 1.0 0.0 4.97 1010 834 A 23 ALA H A 24 ALA HB% 1.0 0.0 4.85 1011 835 A 22 TYR H A 23 ALA HB% 1.0 0.0 4.73 1012 836 A 22 TYR H A 22 TYR HBx 1.0 0.0 3.76 1013 837 A 22 TYR H A 22 TYR HBy 1.0 0.0 3.76 1014 838 A 17 VAL HGx% A 18 GLN H 1.0 0.0 3.91 1015 839 A 21 GLN H A 21 GLN HGx 1.0 0.0 4.00 1016 840 A 21 GLN H A 20 GLN HBy 1.0 0.0 4.12 1017 841 A 21 GLN H A 20 GLN HBx 1.0 0.0 4.12 1018 842 A 5 GLN H A 5 GLN HBy 1.0 0.0 2.90 1019 842 A 5 GLN H A 5 GLN HBx 1.0 0.0 2.90 1020 843 A 5 GLN H A 5 GLN HGx 1.0 0.0 4.00 1021 843 A 5 GLN H A 5 GLN HGy 1.0 0.0 4.00 1022 844 A 3 GLN HA A 5 GLN H 1.0 0.0 4.24 1023 845 A 6 GLN H A 6 GLN HGy 1.0 0.0 3.73 1024 846 A 4 LYS HA A 7 ILE H 1.0 0.0 3.90 1025 847 A 5 GLN HA A 7 ILE H 1.0 0.0 4.48 1026 848 A 7 ILE HG1y A 7 ILE H 1.0 0.0 3.93 1027 849 A 7 ILE HD1% A 7 ILE H 1.0 0.0 3.55 1028 850 A 7 ILE HG2% A 7 ILE H 1.0 0.0 3.80 1029 851 A 7 ILE HG1x A 7 ILE H 1.0 0.0 3.22 1030 852 A 7 ILE H A 6 GLN HBx 1.0 0.0 3.81 1031 853 A 7 ILE H A 6 GLN HBy 1.0 0.0 3.81 1032 854 A 7 ILE HB A 7 ILE H 1.0 0.0 3.08 1033 855 A 7 ILE H A 6 GLN HGy 1.0 0.0 5.32 1034 856 A 7 ILE H A 6 GLN HGx 1.0 0.0 5.32 1035 857 A 7 ILE HB A 8 MET H 1.0 0.0 3.78 1036 858 A 8 MET H A 8 MET HBx 1.0 0.0 3.88 1037 859 A 8 MET H A 8 MET HGy 1.0 0.0 4.48 1038 860 A 8 MET H A 8 MET HBy 1.0 0.0 3.88 1039 861 A 9 ALA HB% A 8 MET H 1.0 0.0 5.12 1040 862 A 9 ALA H A 8 MET HBx 1.0 0.0 4.27 1041 863 A 9 ALA H A 11 LEU H 1.0 0.0 4.50 1042 864 A 11 LEU H A 11 LEU HBx 1.0 0.0 3.70 1043 865 A 10 ALA HB% A 11 LEU H 1.0 0.0 3.44 1044 866 A 11 LEU H A 11 LEU HBy 1.0 0.0 3.70 1045 867 A 11 LEU H A 11 LEU HDx% 1.0 0.0 4.15 1046 868 A 11 LEU H A 11 LEU HDy% 1.0 0.0 4.15 1047 869 A 12 ASN H A 9 ALA HA 1.0 0.0 4.81 1048 870 A 8 MET HA A 12 ASN H 1.0 0.0 5.08 1049 871 A 12 ASN H A 11 LEU HBy 1.0 0.0 4.54 1050 872 A 14 GLN H A 14 GLN HGx 1.0 0.0 4.15 1051 873 A 14 GLN H A 14 GLN HBx 1.0 0.0 3.90 1052 874 A 14 GLN H A 14 GLN HBy 1.0 0.0 3.90 1053 875 A 14 GLN H A 13 SER HBx 1.0 0.0 4.00 1054 875 A 13 SER HBy A 14 GLN H 1.0 0.0 4.00 1055 876 A 15 THR HG2% A 15 THR H 1.0 0.0 4.14 1056 877 A 16 ALA HB% A 15 THR H 1.0 0.0 4.64 1057 878 A 18 GLN H A 18 GLN HBx 1.0 0.0 3.55 1058 879 A 18 GLN H A 18 GLN HBy 1.0 0.0 3.55 1059 880 A 18 GLN H A 18 GLN HGy 1.0 0.0 4.20 1060 880 A 18 GLN H A 18 GLN HGx 1.0 0.0 4.20 1061 881 A 16 ALA HB% A 18 GLN H 1.0 0.0 4.59 1062 882 A 22 TYR H A 24 ALA HB% 1.0 0.0 5.50 1063 883 A 20 GLN H A 20 GLN HBy 1.0 0.0 3.13 1064 884 A 20 GLN H A 20 GLN HBx 1.0 0.0 3.13 1065 885 A 38 ILE HD1% A 20 GLN H 1.0 0.0 4.00 1066 886 A 20 GLN H A 19 PHE HBy 1.0 0.0 4.18 1067 887 A 20 GLN H A 19 PHE HBx 1.0 0.0 4.18 1068 888 A 38 ILE HD1% A 35 GLN H 1.0 0.0 4.75 1069 889 A 34 GLN HBy A 35 GLN H 1.0 0.0 3.60 1070 890 A 35 GLN H A 35 GLN HBx 1.0 0.0 3.02 1071 890 A 35 GLN H A 35 GLN HBy 1.0 0.0 3.02 1072 891 A 35 GLN HGx A 35 GLN H 1.0 0.0 3.28 1073 892 A 35 GLN H A 33 GLN HGx 1.0 0.0 5.50 1074 892 A 33 GLN HGy A 35 GLN H 1.0 0.0 5.50 1075 893 A 35 GLN H A 36 ILE HG1y 1.0 0.0 4.15 1076 894 A 23 ALA HB% A 35 GLN H 1.0 0.0 4.63 1077 895 A 34 GLN HGy A 35 GLN H 1.0 0.0 5.30 1078 896 A 32 GLU HA A 35 GLN H 1.0 0.0 3.78 1079 897 A 35 GLN H A 36 ILE HA 1.0 0.0 5.36 1080 898 A 27 TYR HD% A 35 GLN H 1.0 0.0 5.50 1081 899 A 69 GLN H A 69 GLN HGx 1.0 0.0 4.71 1082 899 A 69 GLN H A 69 GLN HGy 1.0 0.0 4.71 1083 900 A 30 ASN HD2y A 33 GLN HBy 1.0 0.0 4.73 1084 901 A 24 ALA HB% A 34 GLN HE2x 1.0 0.0 4.06 1085 902 A 24 ALA HA A 34 GLN HE2x 1.0 0.0 3.89 1086 903 A 34 GLN HE2x A 28 PRO HA 1.0 0.0 4.38 1087 904 A 35 GLN HGx A 35 GLN HE2x 1.0 0.0 3.74 1088 905 A 38 ILE HD1% A 35 GLN HE2y 1.0 0.0 4.05 1089 906 A 35 GLN HGx A 35 GLN HE2y 1.0 0.0 3.74 1090 907 A 5 GLN HA A 8 MET HBx 1.0 0.0 3.86 1091 907 A 5 GLN HA A 8 MET HBy 1.0 0.0 3.86 1092 908 A 6 GLN H A 6 GLN HBy 1.0 0.0 3.19 1093 908 A 6 GLN H A 6 GLN HBx 1.0 0.0 3.19 1094 909 A 6 GLN H A 6 GLN HGy 1.0 0.0 3.24 1095 909 A 6 GLN H A 6 GLN HGx 1.0 0.0 3.24 1096 910 A 6 GLN HA A 6 GLN HGy 1.0 0.0 3.71 1097 910 A 6 GLN HA A 6 GLN HGx 1.0 0.0 3.71 1098 911 A 7 ILE H A 6 GLN HBy 1.0 0.0 3.24 1099 911 A 7 ILE H A 6 GLN HBx 1.0 0.0 3.24 1100 912 A 7 ILE HD1% A 6 GLN HBy 1.0 0.0 3.81 1101 912 A 7 ILE HD1% A 6 GLN HBx 1.0 0.0 3.81 1102 913 A 7 ILE H A 6 GLN HGy 1.0 0.0 4.45 1103 913 A 7 ILE H A 6 GLN HGx 1.0 0.0 4.45 1104 914 A 7 ILE H A 8 MET HGx 1.0 0.0 5.34 1105 914 A 7 ILE H A 8 MET HGy 1.0 0.0 5.34 1106 915 A 7 ILE HB A 8 MET HGx 1.0 0.0 4.71 1107 915 A 7 ILE HB A 8 MET HGy 1.0 0.0 4.71 1108 916 A 7 ILE HG2% A 8 MET HGx 1.0 0.0 4.46 1109 916 A 7 ILE HG2% A 8 MET HGy 1.0 0.0 4.46 1110 917 A 7 ILE HG2% A 11 LEU HBy 1.0 0.0 4.53 1111 917 A 7 ILE HG2% A 11 LEU HBx 1.0 0.0 4.53 1112 918 A 7 ILE HG2% A 11 LEU HDx% 1.0 0.0 3.20 1113 918 A 7 ILE HG2% A 11 LEU HDy% 1.0 0.0 3.20 1114 919 A 7 ILE HD1% A 8 MET HGx 1.0 0.0 4.52 1115 919 A 7 ILE HD1% A 8 MET HGy 1.0 0.0 4.52 1116 920 A 8 MET H A 8 MET HBx 1.0 0.0 3.34 1117 920 A 8 MET H A 8 MET HBy 1.0 0.0 3.34 1118 921 A 8 MET H A 8 MET HGx 1.0 0.0 3.71 1119 921 A 8 MET H A 8 MET HGy 1.0 0.0 3.71 1120 922 A 8 MET HA A 8 MET HGx 1.0 0.0 3.67 1121 922 A 8 MET HA A 8 MET HGy 1.0 0.0 3.67 1122 923 A 8 MET HA A 11 LEU HDx% 1.0 0.0 3.82 1123 923 A 8 MET HA A 11 LEU HDy% 1.0 0.0 3.82 1124 924 A 9 ALA H A 8 MET HBx 1.0 0.0 3.64 1125 924 A 9 ALA H A 8 MET HBy 1.0 0.0 3.64 1126 925 A 46 TYR HE% A 8 MET HBx 1.0 0.0 5.34 1127 925 A 46 TYR HE% A 8 MET HBy 1.0 0.0 5.34 1128 926 A 8 MET HE% A 8 MET HGx 1.0 0.0 3.24 1129 926 A 8 MET HE% A 8 MET HGy 1.0 0.0 3.24 1130 927 A 9 ALA H A 8 MET HGx 1.0 0.0 4.30 1131 927 A 9 ALA H A 8 MET HGy 1.0 0.0 4.30 1132 928 A 46 TYR HD% A 8 MET HGx 1.0 0.0 4.10 1133 928 A 46 TYR HD% A 8 MET HGy 1.0 0.0 4.10 1134 929 A 46 TYR HE% A 8 MET HGx 1.0 0.0 4.39 1135 929 A 46 TYR HE% A 8 MET HGy 1.0 0.0 4.39 1136 930 A 8 MET HE% A 11 LEU HDx% 1.0 0.0 4.63 1137 930 A 8 MET HE% A 11 LEU HDy% 1.0 0.0 4.63 1138 931 A 8 MET HE% A 12 ASN HD2x 1.0 0.0 4.18 1139 931 A 8 MET HE% A 12 ASN HD2y 1.0 0.0 4.18 1140 932 A 8 MET HE% A 43 GLU HBy 1.0 0.0 3.87 1141 932 A 8 MET HE% A 43 GLU HBx 1.0 0.0 3.87 1142 933 A 9 ALA HA A 12 ASN HBx 1.0 0.0 3.93 1143 933 A 9 ALA HA A 12 ASN HBy 1.0 0.0 3.93 1144 934 A 9 ALA HB% A 12 ASN HBx 1.0 0.0 4.72 1145 934 A 9 ALA HB% A 12 ASN HBy 1.0 0.0 4.72 1146 935 A 10 ALA HB% A 11 LEU HDx% 1.0 0.0 4.19 1147 935 A 10 ALA HB% A 11 LEU HDy% 1.0 0.0 4.19 1148 936 A 11 LEU HA A 11 LEU HDx% 1.0 0.0 3.29 1149 936 A 11 LEU HA A 11 LEU HDy% 1.0 0.0 3.29 1150 937 A 12 ASN H A 11 LEU HBy 1.0 0.0 3.99 1151 937 A 12 ASN H A 11 LEU HBx 1.0 0.0 3.99 1152 938 A 46 TYR H A 11 LEU HDx% 1.0 0.0 4.96 1153 938 A 46 TYR H A 11 LEU HDy% 1.0 0.0 4.96 1154 939 A 46 TYR HA A 11 LEU HDx% 1.0 0.0 4.07 1155 939 A 46 TYR HA A 11 LEU HDy% 1.0 0.0 4.07 1156 940 A 46 TYR HD% A 11 LEU HDx% 1.0 0.0 3.76 1157 940 A 46 TYR HD% A 11 LEU HDy% 1.0 0.0 3.76 1158 941 A 46 TYR HE% A 11 LEU HDx% 1.0 0.0 4.17 1159 941 A 46 TYR HE% A 11 LEU HDy% 1.0 0.0 4.17 1160 942 A 11 LEU HDy% A 49 TYR HBx 1.0 0.0 3.78 1161 942 A 49 TYR HBy A 11 LEU HDx% 1.0 0.0 3.78 1162 942 A 11 LEU HDy% A 49 TYR HBy 1.0 0.0 3.78 1163 942 A 11 LEU HDx% A 49 TYR HBx 1.0 0.0 3.78 1164 943 A 49 TYR HD% A 11 LEU HDx% 1.0 0.0 3.62 1165 943 A 49 TYR HD% A 11 LEU HDy% 1.0 0.0 3.62 1166 944 A 13 SER H A 14 GLN HBx 1.0 0.0 5.34 1167 944 A 13 SER H A 14 GLN HBy 1.0 0.0 5.34 1168 945 A 14 GLN H A 14 GLN HGy 1.0 0.0 3.55 1169 945 A 14 GLN H A 14 GLN HGx 1.0 0.0 3.55 1170 946 A 14 GLN HA A 14 GLN HGy 1.0 0.0 3.47 1171 946 A 14 GLN HA A 14 GLN HGx 1.0 0.0 3.47 1172 947 A 15 THR HG2% A 14 GLN HGy 1.0 0.0 4.34 1173 947 A 15 THR HG2% A 14 GLN HGx 1.0 0.0 4.34 1174 948 A 15 THR HA A 18 GLN HBx 1.0 0.0 4.17 1175 948 A 15 THR HA A 18 GLN HBy 1.0 0.0 4.17 1176 949 A 15 THR HG2% A 19 PHE HBx 1.0 0.0 5.34 1177 949 A 15 THR HG2% A 19 PHE HBy 1.0 0.0 5.34 1178 950 A 15 THR HG2% A 42 GLN HGx 1.0 0.0 5.34 1179 950 A 15 THR HG2% A 42 GLN HGy 1.0 0.0 5.34 1180 951 A 17 VAL HGy% A 20 GLN HBy 1.0 0.0 3.51 1181 951 A 17 VAL HGy% A 20 GLN HBx 1.0 0.0 3.51 1182 952 A 17 VAL HGy% A 21 GLN HGx 1.0 0.0 3.38 1183 952 A 17 VAL HGy% A 21 GLN HGy 1.0 0.0 3.38 1184 953 A 18 GLN H A 18 GLN HBx 1.0 0.0 3.09 1185 953 A 18 GLN H A 18 GLN HBy 1.0 0.0 3.09 1186 954 A 19 PHE H A 18 GLN HBx 1.0 0.0 3.86 1187 954 A 19 PHE H A 18 GLN HBy 1.0 0.0 3.86 1188 955 A 19 PHE HD% A 18 GLN HBx 1.0 0.0 5.03 1189 955 A 19 PHE HD% A 18 GLN HBy 1.0 0.0 5.03 1190 956 A 19 PHE HA A 41 LEU HDx% 1.0 0.0 4.60 1191 956 A 19 PHE HA A 41 LEU HDy% 1.0 0.0 4.60 1192 957 A 20 GLN H A 19 PHE HBx 1.0 0.0 3.53 1193 957 A 20 GLN H A 19 PHE HBy 1.0 0.0 3.53 1194 958 A 20 GLN HA A 19 PHE HBx 1.0 0.0 4.68 1195 958 A 20 GLN HA A 19 PHE HBy 1.0 0.0 4.68 1196 959 A 38 ILE HA A 19 PHE HBx 1.0 0.0 4.42 1197 959 A 38 ILE HA A 19 PHE HBy 1.0 0.0 4.42 1198 960 A 38 ILE HG2% A 19 PHE HBx 1.0 0.0 3.54 1199 960 A 38 ILE HG2% A 19 PHE HBy 1.0 0.0 3.54 1200 961 A 19 PHE HBy A 38 ILE HG1x 1.0 0.0 4.26 1201 961 A 19 PHE HBx A 38 ILE HG1x 1.0 0.0 4.26 1202 961 A 38 ILE HG1y A 19 PHE HBx 1.0 0.0 4.26 1203 961 A 19 PHE HBy A 38 ILE HG1y 1.0 0.0 4.26 1204 962 A 38 ILE HD1% A 19 PHE HBx 1.0 0.0 3.87 1205 962 A 38 ILE HD1% A 19 PHE HBy 1.0 0.0 3.87 1206 963 A 19 PHE HBy A 41 LEU HDx% 1.0 0.0 4.20 1207 963 A 19 PHE HBx A 41 LEU HDx% 1.0 0.0 4.20 1208 963 A 41 LEU HDy% A 19 PHE HBx 1.0 0.0 4.20 1209 963 A 19 PHE HBy A 41 LEU HDy% 1.0 0.0 4.20 1210 964 A 19 PHE HD% A 38 ILE HG1x 1.0 0.0 5.34 1211 964 A 19 PHE HD% A 38 ILE HG1y 1.0 0.0 5.34 1212 965 A 19 PHE HD% A 41 LEU HDx% 1.0 0.0 3.80 1213 965 A 19 PHE HD% A 41 LEU HDy% 1.0 0.0 3.80 1214 966 A 19 PHE HE% A 41 LEU HBy 1.0 0.0 5.03 1215 966 A 19 PHE HE% A 41 LEU HBx 1.0 0.0 5.03 1216 967 A 19 PHE HE% A 41 LEU HDx% 1.0 0.0 4.30 1217 967 A 19 PHE HE% A 41 LEU HDy% 1.0 0.0 4.30 1218 968 A 19 PHE HE% A 42 GLN HBy 1.0 0.0 5.34 1219 968 A 19 PHE HE% A 42 GLN HBx 1.0 0.0 5.34 1220 969 A 19 PHE HE% A 42 GLN HGx 1.0 0.0 4.05 1221 969 A 19 PHE HE% A 42 GLN HGy 1.0 0.0 4.05 1222 970 A 19 PHE HE% A 45 HIS HBx 1.0 0.0 4.77 1223 970 A 19 PHE HE% A 45 HIS HBy 1.0 0.0 4.77 1224 971 A 19 PHE HZ A 41 LEU HDx% 1.0 0.0 5.19 1225 971 A 19 PHE HZ A 41 LEU HDy% 1.0 0.0 5.19 1226 972 A 19 PHE HZ A 45 HIS HBx 1.0 0.0 4.29 1227 972 A 19 PHE HZ A 45 HIS HBy 1.0 0.0 4.29 1228 973 A 20 GLN H A 20 GLN HGy 1.0 0.0 4.54 1229 973 A 20 GLN H A 20 GLN HGx 1.0 0.0 4.54 1230 974 A 20 GLN HA A 20 GLN HGy 1.0 0.0 3.55 1231 974 A 20 GLN HA A 20 GLN HGx 1.0 0.0 3.55 1232 975 A 20 GLN HA A 38 ILE HG1x 1.0 0.0 4.82 1233 975 A 20 GLN HA A 38 ILE HG1y 1.0 0.0 4.82 1234 976 A 21 GLN H A 20 GLN HBy 1.0 0.0 3.59 1235 976 A 21 GLN H A 20 GLN HBx 1.0 0.0 3.59 1236 977 A 38 ILE HD1% A 20 GLN HBy 1.0 0.0 3.92 1237 977 A 38 ILE HD1% A 20 GLN HBx 1.0 0.0 3.92 1238 978 A 38 ILE HD1% A 20 GLN HGy 1.0 0.0 3.56 1239 978 A 38 ILE HD1% A 20 GLN HGx 1.0 0.0 3.56 1240 979 A 21 GLN H A 21 GLN HBy 1.0 0.0 3.49 1241 979 A 21 GLN H A 21 GLN HBx 1.0 0.0 3.49 1242 980 A 21 GLN H A 21 GLN HGx 1.0 0.0 3.48 1243 980 A 21 GLN H A 21 GLN HGy 1.0 0.0 3.48 1244 981 A 21 GLN HA A 21 GLN HGx 1.0 0.0 3.68 1245 981 A 21 GLN HA A 21 GLN HGy 1.0 0.0 3.68 1246 982 A 22 TYR H A 21 GLN HBy 1.0 0.0 2.94 1247 982 A 22 TYR H A 21 GLN HBx 1.0 0.0 2.94 1248 983 A 22 TYR H A 22 TYR HBx 1.0 0.0 3.20 1249 983 A 22 TYR H A 22 TYR HBy 1.0 0.0 3.20 1250 984 A 22 TYR HA A 25 GLN HBy 1.0 0.0 3.37 1251 984 A 22 TYR HA A 25 GLN HBx 1.0 0.0 3.37 1252 985 A 22 TYR HBx A 41 LEU HDx% 1.0 0.0 4.94 1253 985 A 41 LEU HDy% A 22 TYR HBx 1.0 0.0 4.94 1254 985 A 41 LEU HDy% A 22 TYR HBy 1.0 0.0 4.94 1255 985 A 22 TYR HBy A 41 LEU HDx% 1.0 0.0 4.94 1256 986 A 22 TYR HD% A 26 GLN HGx 1.0 0.0 5.34 1257 986 A 22 TYR HD% A 26 GLN HGy 1.0 0.0 5.34 1258 987 A 22 TYR HD% A 37 LEU HDx% 1.0 0.0 3.65 1259 987 A 22 TYR HD% A 37 LEU HDy% 1.0 0.0 3.65 1260 988 A 22 TYR HD% A 41 LEU HDx% 1.0 0.0 3.33 1261 988 A 22 TYR HD% A 41 LEU HDy% 1.0 0.0 3.33 1262 989 A 22 TYR HE% A 26 GLN HGx 1.0 0.0 3.93 1263 989 A 22 TYR HE% A 26 GLN HGy 1.0 0.0 3.93 1264 990 A 22 TYR HE% A 37 LEU HDx% 1.0 0.0 3.12 1265 990 A 22 TYR HE% A 37 LEU HDy% 1.0 0.0 3.12 1266 991 A 22 TYR HE% A 41 LEU HDx% 1.0 0.0 3.59 1267 991 A 22 TYR HE% A 41 LEU HDy% 1.0 0.0 3.59 1268 992 A 23 ALA HA A 26 GLN HGx 1.0 0.0 4.77 1269 992 A 23 ALA HA A 26 GLN HGy 1.0 0.0 4.77 1270 993 A 23 ALA HA A 37 LEU HDx% 1.0 0.0 3.40 1271 993 A 23 ALA HA A 37 LEU HDy% 1.0 0.0 3.40 1272 994 A 23 ALA HB% A 35 GLN HE2y 1.0 0.0 4.76 1273 994 A 23 ALA HB% A 35 GLN HE2x 1.0 0.0 4.76 1274 995 A 23 ALA HB% A 37 LEU HDx% 1.0 0.0 3.36 1275 995 A 23 ALA HB% A 37 LEU HDy% 1.0 0.0 3.36 1276 996 A 23 ALA HB% A 38 ILE HG1x 1.0 0.0 3.23 1277 996 A 23 ALA HB% A 38 ILE HG1y 1.0 0.0 3.23 1278 997 A 23 ALA HB% A 41 LEU HDx% 1.0 0.0 4.83 1279 997 A 23 ALA HB% A 41 LEU HDy% 1.0 0.0 4.83 1280 998 A 24 ALA H A 25 GLN HBy 1.0 0.0 4.56 1281 998 A 24 ALA H A 25 GLN HBx 1.0 0.0 4.56 1282 999 A 25 GLN H A 25 GLN HBy 1.0 0.0 2.86 1283 999 A 25 GLN H A 25 GLN HBx 1.0 0.0 2.86 1284 1000 A 25 GLN H A 25 GLN HGy 1.0 0.0 3.98 1285 1000 A 25 GLN H A 25 GLN HGx 1.0 0.0 3.98 1286 1001 A 25 GLN H A 37 LEU HDx% 1.0 0.0 5.06 1287 1001 A 25 GLN H A 37 LEU HDy% 1.0 0.0 5.06 1288 1002 A 25 GLN HA A 25 GLN HGy 1.0 0.0 3.70 1289 1002 A 25 GLN HGx A 25 GLN HA 1.0 0.0 3.70 1290 1003 A 25 GLN HA A 28 PRO HDy 1.0 0.0 5.35 1291 1003 A 25 GLN HA A 28 PRO HDx 1.0 0.0 5.35 1292 1004 A 26 GLN H A 25 GLN HBy 1.0 0.0 3.29 1293 1004 A 26 GLN H A 25 GLN HBx 1.0 0.0 3.29 1294 1005 A 26 GLN H A 26 GLN HGx 1.0 0.0 3.65 1295 1005 A 26 GLN H A 26 GLN HGy 1.0 0.0 3.65 1296 1006 A 26 GLN H A 28 PRO HDy 1.0 0.0 5.35 1297 1006 A 26 GLN H A 28 PRO HDx 1.0 0.0 5.35 1298 1007 A 26 GLN H A 37 LEU HDx% 1.0 0.0 4.95 1299 1007 A 26 GLN H A 37 LEU HDy% 1.0 0.0 4.95 1300 1008 A 26 GLN HA A 28 PRO HDy 1.0 0.0 4.90 1301 1008 A 28 PRO HDx A 26 GLN HA 1.0 0.0 4.90 1302 1009 A 26 GLN HBx A 37 LEU HDx% 1.0 0.0 4.18 1303 1009 A 26 GLN HBx A 37 LEU HDy% 1.0 0.0 4.18 1304 1010 A 26 GLN HGx A 37 LEU HDx% 1.0 0.0 3.87 1305 1010 A 26 GLN HGy A 37 LEU HDx% 1.0 0.0 3.87 1306 1010 A 37 LEU HDy% A 26 GLN HGx 1.0 0.0 3.87 1307 1010 A 26 GLN HGy A 37 LEU HDy% 1.0 0.0 3.87 1308 1011 A 27 TYR H A 28 PRO HDy 1.0 0.0 3.68 1309 1011 A 27 TYR H A 28 PRO HDx 1.0 0.0 3.68 1310 1012 A 27 TYR H A 37 LEU HDx% 1.0 0.0 4.55 1311 1012 A 27 TYR H A 37 LEU HDy% 1.0 0.0 4.55 1312 1013 A 27 TYR HA A 28 PRO HDy 1.0 0.0 3.18 1313 1013 A 27 TYR HA A 28 PRO HDx 1.0 0.0 3.18 1314 1014 A 27 TYR HD% A 28 PRO HDy 1.0 0.0 4.53 1315 1014 A 27 TYR HD% A 28 PRO HDx 1.0 0.0 4.53 1316 1015 A 27 TYR HD% A 37 LEU HDx% 1.0 0.0 3.58 1317 1015 A 27 TYR HD% A 37 LEU HDy% 1.0 0.0 3.58 1318 1016 A 27 TYR HE% A 37 LEU HDx% 1.0 0.0 3.96 1319 1016 A 27 TYR HE% A 37 LEU HDy% 1.0 0.0 3.96 1320 1017 A 34 GLN HE2y A 29 GLY HAy 1.0 0.0 5.34 1321 1017 A 34 GLN HE2y A 29 GLY HAx 1.0 0.0 5.34 1322 1018 A 34 GLN HA A 37 LEU HDx% 1.0 0.0 4.56 1323 1018 A 34 GLN HA A 37 LEU HDy% 1.0 0.0 4.56 1324 1019 A 35 GLN H A 35 GLN HE2y 1.0 0.0 4.39 1325 1019 A 35 GLN H A 35 GLN HE2x 1.0 0.0 4.39 1326 1020 A 35 GLN HGx A 35 GLN HE2y 1.0 0.0 3.27 1327 1020 A 35 GLN HGx A 35 GLN HE2x 1.0 0.0 3.27 1328 1021 A 38 ILE HD1% A 35 GLN HE2y 1.0 0.0 3.54 1329 1021 A 38 ILE HD1% A 35 GLN HE2x 1.0 0.0 3.54 1330 1022 A 36 ILE HA A 39 ARG HGx 1.0 0.0 4.57 1331 1022 A 36 ILE HA A 39 ARG HGy 1.0 0.0 4.57 1332 1023 A 37 LEU H A 37 LEU HDx% 1.0 0.0 3.96 1333 1023 A 37 LEU H A 37 LEU HDy% 1.0 0.0 3.96 1334 1024 A 37 LEU HA A 37 LEU HDx% 1.0 0.0 3.54 1335 1024 A 37 LEU HA A 37 LEU HDy% 1.0 0.0 3.54 1336 1025 A 37 LEU HG A 41 LEU HDx% 1.0 0.0 3.75 1337 1025 A 37 LEU HG A 41 LEU HDy% 1.0 0.0 3.75 1338 1026 A 38 ILE H A 37 LEU HDx% 1.0 0.0 4.29 1339 1026 A 38 ILE H A 37 LEU HDy% 1.0 0.0 4.29 1340 1027 A 40 GLN H A 37 LEU HDx% 1.0 0.0 4.82 1341 1027 A 40 GLN H A 37 LEU HDy% 1.0 0.0 4.82 1342 1028 A 41 LEU H A 37 LEU HDx% 1.0 0.0 4.31 1343 1028 A 41 LEU H A 37 LEU HDy% 1.0 0.0 4.31 1344 1029 A 41 LEU HA A 37 LEU HDx% 1.0 0.0 5.17 1345 1029 A 37 LEU HDy% A 41 LEU HA 1.0 0.0 5.17 1346 1030 A 41 LEU HG A 37 LEU HDx% 1.0 0.0 4.15 1347 1030 A 41 LEU HG A 37 LEU HDy% 1.0 0.0 4.15 1348 1031 A 37 LEU HDy% A 41 LEU HDx% 1.0 0.0 2.96 1349 1031 A 37 LEU HDx% A 41 LEU HDx% 1.0 0.0 2.96 1350 1031 A 41 LEU HDy% A 37 LEU HDx% 1.0 0.0 2.96 1351 1031 A 41 LEU HDy% A 37 LEU HDy% 1.0 0.0 2.96 1352 1032 A 38 ILE H A 38 ILE HG1x 1.0 0.0 3.46 1353 1032 A 38 ILE H A 38 ILE HG1y 1.0 0.0 3.46 1354 1033 A 38 ILE HA A 41 LEU HBy 1.0 0.0 3.98 1355 1033 A 38 ILE HA A 41 LEU HBx 1.0 0.0 3.98 1356 1034 A 38 ILE HA A 41 LEU HDx% 1.0 0.0 3.60 1357 1034 A 38 ILE HA A 41 LEU HDy% 1.0 0.0 3.60 1358 1035 A 38 ILE HG2% A 38 ILE HG1x 1.0 0.0 3.08 1359 1035 A 38 ILE HG2% A 38 ILE HG1y 1.0 0.0 3.08 1360 1036 A 38 ILE HG2% A 42 GLN HBy 1.0 0.0 4.72 1361 1036 A 38 ILE HG2% A 42 GLN HBx 1.0 0.0 4.72 1362 1037 A 38 ILE HG2% A 42 GLN HGx 1.0 0.0 3.60 1363 1037 A 38 ILE HG2% A 42 GLN HGy 1.0 0.0 3.60 1364 1038 A 38 ILE HG2% A 42 GLN HE2y 1.0 0.0 3.51 1365 1038 A 38 ILE HG2% A 42 GLN HE2x 1.0 0.0 3.51 1366 1039 A 38 ILE HG1x A 41 LEU HDx% 1.0 0.0 4.76 1367 1039 A 38 ILE HG1y A 41 LEU HDx% 1.0 0.0 4.76 1368 1039 A 41 LEU HDy% A 38 ILE HG1x 1.0 0.0 4.76 1369 1039 A 41 LEU HDy% A 38 ILE HG1y 1.0 0.0 4.76 1370 1040 A 39 ARG H A 39 ARG HGx 1.0 0.0 4.49 1371 1040 A 39 ARG H A 39 ARG HGy 1.0 0.0 4.49 1372 1041 A 39 ARG HA A 42 GLN HBy 1.0 0.0 4.09 1373 1041 A 39 ARG HA A 42 GLN HBx 1.0 0.0 4.09 1374 1042 A 40 GLN H A 39 ARG HGx 1.0 0.0 4.57 1375 1042 A 40 GLN H A 39 ARG HGy 1.0 0.0 4.57 1376 1043 A 40 GLN H A 41 LEU HDx% 1.0 0.0 4.75 1377 1043 A 40 GLN H A 41 LEU HDy% 1.0 0.0 4.75 1378 1044 A 41 LEU H A 41 LEU HBy 1.0 0.0 3.67 1379 1044 A 41 LEU H A 41 LEU HBx 1.0 0.0 3.67 1380 1045 A 41 LEU H A 41 LEU HDx% 1.0 0.0 3.60 1381 1045 A 41 LEU H A 41 LEU HDy% 1.0 0.0 3.60 1382 1046 A 41 LEU HA A 41 LEU HDx% 1.0 0.0 3.17 1383 1046 A 41 LEU HDy% A 41 LEU HA 1.0 0.0 3.17 1384 1047 A 42 GLN H A 41 LEU HBy 1.0 0.0 3.86 1385 1047 A 42 GLN H A 41 LEU HBx 1.0 0.0 3.86 1386 1048 A 42 GLN H A 41 LEU HDx% 1.0 0.0 4.64 1387 1048 A 42 GLN H A 41 LEU HDy% 1.0 0.0 4.64 1388 1049 A 41 LEU HDy% A 42 GLN HGx 1.0 0.0 5.28 1389 1049 A 41 LEU HDx% A 42 GLN HGx 1.0 0.0 5.28 1390 1049 A 42 GLN HGy A 41 LEU HDx% 1.0 0.0 5.28 1391 1049 A 42 GLN HGy A 41 LEU HDy% 1.0 0.0 5.28 1392 1050 A 42 GLN H A 42 GLN HBy 1.0 0.0 3.41 1393 1050 A 42 GLN H A 42 GLN HBx 1.0 0.0 3.41 1394 1051 A 42 GLN H A 42 GLN HGx 1.0 0.0 3.65 1395 1051 A 42 GLN H A 42 GLN HGy 1.0 0.0 3.65 1396 1052 A 46 TYR H A 45 HIS HBx 1.0 0.0 4.30 1397 1052 A 46 TYR H A 45 HIS HBy 1.0 0.0 4.30 1398 1053 A 46 TYR HA A 49 TYR HBx 1.0 0.0 4.64 1399 1053 A 46 TYR HA A 49 TYR HBy 1.0 0.0 4.64 1400 1054 A 46 TYR HE% A 50 MET HGx 1.0 0.0 4.68 1401 1054 A 46 TYR HE% A 50 MET HGy 1.0 0.0 4.68 1402 1055 A 47 GLN HA A 50 MET HBx 1.0 0.0 4.26 1403 1055 A 47 GLN HA A 50 MET HBy 1.0 0.0 4.26 1404 1056 A 48 GLN H A 48 GLN HBy 1.0 0.0 3.02 1405 1056 A 48 GLN H A 48 GLN HBx 1.0 0.0 3.02 1406 1057 A 50 MET H A 49 TYR HBx 1.0 0.0 4.01 1407 1057 A 50 MET H A 49 TYR HBy 1.0 0.0 4.01 1408 1058 A 50 MET H A 50 MET HBx 1.0 0.0 3.63 1409 1058 A 50 MET H A 50 MET HBy 1.0 0.0 3.63 1410 1059 A 50 MET H A 50 MET HGx 1.0 0.0 4.64 1411 1059 A 50 MET H A 50 MET HGy 1.0 0.0 4.64 1412 1060 A 51 GLN H A 50 MET HBx 1.0 0.0 3.68 1413 1060 A 51 GLN H A 50 MET HBy 1.0 0.0 3.68 1414 1061 A 53 LEU H A 50 MET HGx 1.0 0.0 5.34 1415 1061 A 53 LEU H A 50 MET HGy 1.0 0.0 5.34 1416 1062 A 50 MET HGy A 53 LEU HBx 1.0 0.0 5.15 1417 1062 A 50 MET HGx A 53 LEU HBx 1.0 0.0 5.15 1418 1062 A 53 LEU HBy A 50 MET HGx 1.0 0.0 5.15 1419 1062 A 53 LEU HBy A 50 MET HGy 1.0 0.0 5.15 1420 1063 A 52 GLN H A 52 GLN HGy 1.0 0.0 4.39 1421 1063 A 52 GLN H A 52 GLN HGx 1.0 0.0 4.39 1422 1064 A 52 GLN HA A 52 GLN HGy 1.0 0.0 3.59 1423 1064 A 52 GLN HA A 52 GLN HGx 1.0 0.0 3.59 1424 1065 A 53 LEU H A 52 GLN HGy 1.0 0.0 4.41 1425 1065 A 53 LEU H A 52 GLN HGx 1.0 0.0 4.41 1426 1066 A 53 LEU HG A 52 GLN HGy 1.0 0.0 4.76 1427 1066 A 53 LEU HG A 52 GLN HGx 1.0 0.0 4.76 1428 1067 A 52 GLN HGy A 53 LEU HDx% 1.0 0.0 4.78 1429 1067 A 52 GLN HGx A 53 LEU HDx% 1.0 0.0 4.78 1430 1067 A 53 LEU HDy% A 52 GLN HGy 1.0 0.0 4.78 1431 1067 A 53 LEU HDy% A 52 GLN HGx 1.0 0.0 4.78 1432 1068 A 56 VAL H A 52 GLN HGy 1.0 0.0 5.01 1433 1068 A 56 VAL H A 52 GLN HGx 1.0 0.0 5.01 1434 1069 A 56 VAL HGy% A 52 GLN HGy 1.0 0.0 3.62 1435 1069 A 56 VAL HGy% A 52 GLN HGx 1.0 0.0 3.62 1436 1070 A 53 LEU HBy A 57 GLN HGx 1.0 0.0 4.70 1437 1070 A 53 LEU HBx A 57 GLN HGx 1.0 0.0 4.70 1438 1070 A 57 GLN HGy A 53 LEU HBx 1.0 0.0 4.70 1439 1070 A 53 LEU HBy A 57 GLN HGy 1.0 0.0 4.70 1440 1071 A 53 LEU HDy% A 57 GLN HGx 1.0 0.0 4.41 1441 1071 A 53 LEU HDx% A 57 GLN HGx 1.0 0.0 4.41 1442 1071 A 57 GLN HGy A 53 LEU HDx% 1.0 0.0 4.41 1443 1071 A 53 LEU HDy% A 57 GLN HGy 1.0 0.0 4.41 1444 1072 A 56 VAL HA A 60 GLN HGx 1.0 0.0 4.82 1445 1072 A 56 VAL HA A 60 GLN HGy 1.0 0.0 4.82 1446 1073 A 56 VAL HB A 57 GLN HGx 1.0 0.0 4.83 1447 1073 A 56 VAL HB A 57 GLN HGy 1.0 0.0 4.83 1448 1074 A 57 GLN H A 57 GLN HGx 1.0 0.0 3.15 1449 1074 A 57 GLN H A 57 GLN HGy 1.0 0.0 3.15 1450 1075 A 57 GLN HA A 57 GLN HGx 1.0 0.0 3.69 1451 1075 A 57 GLN HA A 57 GLN HGy 1.0 0.0 3.69 1452 1076 A 58 LEU H A 57 GLN HGx 1.0 0.0 4.86 1453 1076 A 58 LEU H A 57 GLN HGy 1.0 0.0 4.86 1454 1077 A 58 LEU HBx A 61 GLN HGx 1.0 0.0 4.42 1455 1077 A 58 LEU HBy A 61 GLN HGx 1.0 0.0 4.42 1456 1077 A 61 GLN HGy A 58 LEU HBx 1.0 0.0 4.42 1457 1077 A 58 LEU HBy A 61 GLN HGy 1.0 0.0 4.42 1458 1078 A 58 LEU HG A 61 GLN HGx 1.0 0.0 5.34 1459 1078 A 58 LEU HG A 61 GLN HGy 1.0 0.0 5.34 1460 1079 A 58 LEU HDy% A 61 GLN HGx 1.0 0.0 4.34 1461 1079 A 58 LEU HDx% A 61 GLN HGx 1.0 0.0 4.34 1462 1079 A 61 GLN HGy A 58 LEU HDx% 1.0 0.0 4.34 1463 1079 A 58 LEU HDy% A 61 GLN HGy 1.0 0.0 4.34 1464 1080 A 58 LEU HDx% A 62 GLN HGx 1.0 0.0 5.34 1465 1080 A 58 LEU HDy% A 62 GLN HGx 1.0 0.0 5.34 1466 1080 A 62 GLN HGy A 58 LEU HDx% 1.0 0.0 5.34 1467 1080 A 58 LEU HDy% A 62 GLN HGy 1.0 0.0 5.34 1468 1081 A 59 ALA H A 60 GLN HGx 1.0 0.0 4.64 1469 1081 A 59 ALA H A 60 GLN HGy 1.0 0.0 4.64 1470 1082 A 59 ALA H A 61 GLN HGx 1.0 0.0 5.11 1471 1082 A 59 ALA H A 61 GLN HGy 1.0 0.0 5.11 1472 1083 A 59 ALA HB% A 60 GLN HGx 1.0 0.0 3.54 1473 1083 A 59 ALA HB% A 60 GLN HGy 1.0 0.0 3.54 1474 1084 A 60 GLN H A 60 GLN HGx 1.0 0.0 2.97 1475 1084 A 60 GLN H A 60 GLN HGy 1.0 0.0 2.97 1476 1085 A 60 GLN HA A 60 GLN HGx 1.0 0.0 3.71 1477 1085 A 60 GLN HA A 60 GLN HGy 1.0 0.0 3.71 1478 1086 A 61 GLN H A 61 GLN HGx 1.0 0.0 2.99 1479 1086 A 61 GLN H A 61 GLN HGy 1.0 0.0 2.99 1480 1087 A 63 ALA H A 62 GLN HGx 1.0 0.0 4.05 1481 1087 A 63 ALA H A 62 GLN HGy 1.0 0.0 4.05 1482 1088 A 65 LEU H A 66 GLN HBx 1.0 0.0 4.76 1483 1088 A 65 LEU H A 66 GLN HBy 1.0 0.0 4.76 1484 1089 A 66 GLN H A 66 GLN HBx 1.0 0.0 3.19 1485 1089 A 66 GLN H A 66 GLN HBy 1.0 0.0 3.19 1486 1090 A 66 GLN HA A 67 LYS HBy 1.0 0.0 5.04 1487 1090 A 66 GLN HA A 67 LYS HBx 1.0 0.0 5.04 1488 1091 A 67 LYS H A 67 LYS HBy 1.0 0.0 3.21 1489 1091 A 67 LYS H A 67 LYS HBx 1.0 0.0 3.21 1490 1092 A 68 GLN H A 68 GLN HBx 1.0 0.0 3.35 1491 1092 A 68 GLN H A 68 GLN HBy 1.0 0.0 3.35 1492 1093 A 69 GLN H A 69 GLN HBy 1.0 0.0 3.60 1493 1093 A 69 GLN H A 69 GLN HBx 1.0 0.0 3.60 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 4 LYS C A 5 GLN N A 5 GLN CA A 5 GLN C 1.0 -77.8 -48.2 PHI 2 2 A 5 GLN N A 5 GLN CA A 5 GLN C A 6 GLN N 1.0 -56.5 -27.1 PSI 3 3 A 5 GLN C A 6 GLN N A 6 GLN CA A 6 GLN C 1.0 -75.2 -55.2 PHI 4 4 A 6 GLN N A 6 GLN CA A 6 GLN C A 7 ILE N 1.0 -50.6 -26.0 PSI 5 5 A 6 GLN C A 7 ILE N A 7 ILE CA A 7 ILE C 1.0 -73.1 -53.1 PHI 6 6 A 7 ILE N A 7 ILE CA A 7 ILE C A 8 MET N 1.0 -57.7 -25.5 PSI 7 7 A 7 ILE C A 8 MET N A 8 MET CA A 8 MET C 1.0 -72.1 -51.5 PHI 8 8 A 8 MET N A 8 MET CA A 8 MET C A 9 ALA N 1.0 -54.8 -23.8 PSI 9 9 A 8 MET C A 9 ALA N A 9 ALA CA A 9 ALA C 1.0 -70.1 -50.1 PHI 10 10 A 9 ALA N A 9 ALA CA A 9 ALA C A 10 ALA N 1.0 -53.5 -33.5 PSI 11 11 A 9 ALA C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -74.5 -54.5 PHI 12 12 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 LEU N 1.0 -54.7 -24.5 PSI 13 13 A 10 ALA C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -73.1 -53.1 PHI 14 14 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 ASN N 1.0 -53.4 -32.8 PSI 15 15 A 11 LEU C A 12 ASN N A 12 ASN CA A 12 ASN C 1.0 -77.6 -51.8 PHI 16 16 A 12 ASN N A 12 ASN CA A 12 ASN C A 13 SER N 1.0 -55.0 -29.2 PSI 17 17 A 12 ASN C A 13 SER N A 13 SER CA A 13 SER C 1.0 -70.8 -50.8 PHI 18 18 A 13 SER N A 13 SER CA A 13 SER C A 14 GLN N 1.0 -55.8 -17.4 PSI 19 19 A 13 SER C A 14 GLN N A 14 GLN CA A 14 GLN C 1.0 -92.7 -52.3 PHI 20 20 A 14 GLN N A 14 GLN CA A 14 GLN C A 15 THR N 1.0 -51.1 -11.3 PSI 21 21 A 14 GLN C A 15 THR N A 15 THR CA A 15 THR C 1.0 -136.9 -47.5 PHI 22 22 A 15 THR N A 15 THR CA A 15 THR C A 16 ALA N 1.0 -44.4 18.4 PSI 23 23 A 15 THR C A 16 ALA N A 16 ALA CA A 16 ALA C 1.0 -80.7 -40.3 PHI 24 24 A 16 ALA N A 16 ALA CA A 16 ALA C A 17 VAL N 1.0 -68.6 -18.0 PSI 25 25 A 16 ALA C A 17 VAL N A 17 VAL CA A 17 VAL C 1.0 -74.6 -54.6 PHI 26 26 A 17 VAL N A 17 VAL CA A 17 VAL C A 18 GLN N 1.0 -54.3 -26.9 PSI 27 27 A 17 VAL C A 18 GLN N A 18 GLN CA A 18 GLN C 1.0 -74.9 -54.9 PHI 28 28 A 18 GLN N A 18 GLN CA A 18 GLN C A 19 PHE N 1.0 -60.5 -29.9 PSI 29 29 A 18 GLN C A 19 PHE N A 19 PHE CA A 19 PHE C 1.0 -97.6 -41.2 PHI 30 30 A 19 PHE N A 19 PHE CA A 19 PHE C A 20 GLN N 1.0 -79.4 13.6 PSI 31 31 A 19 PHE C A 20 GLN N A 20 GLN CA A 20 GLN C 1.0 -77.6 -49.8 PHI 32 32 A 20 GLN N A 20 GLN CA A 20 GLN C A 21 GLN N 1.0 -59.6 -21.6 PSI 33 33 A 20 GLN C A 21 GLN N A 21 GLN CA A 21 GLN C 1.0 -80.4 -49.4 PHI 34 34 A 21 GLN N A 21 GLN CA A 21 GLN C A 22 TYR N 1.0 -51.6 -27.0 PSI 35 35 A 21 GLN C A 22 TYR N A 22 TYR CA A 22 TYR C 1.0 -73.1 -53.1 PHI 36 36 A 22 TYR N A 22 TYR CA A 22 TYR C A 23 ALA N 1.0 -60.6 -20.0 PSI 37 37 A 22 TYR C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -73.3 -52.5 PHI 38 38 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 ALA N 1.0 -55.1 -12.5 PSI 39 39 A 23 ALA C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -76.9 -56.3 PHI 40 40 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 GLN N 1.0 -49.6 -14.6 PSI 41 41 A 24 ALA C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -86.7 -53.9 PHI 42 42 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 GLN N 1.0 -60.5 1.7 PSI 43 43 A 25 GLN C A 26 GLN N A 26 GLN CA A 26 GLN C 1.0 -112.2 -61.8 PHI 44 44 A 26 GLN N A 26 GLN CA A 26 GLN C A 27 TYR N 1.0 -61.4 13.0 PSI 45 45 A 28 PRO C A 29 GLY N A 29 GLY CA A 29 GLY C 1.0 47.9 107.1 PHI 46 46 A 29 GLY N A 29 GLY CA A 29 GLY C A 30 ASN N 1.0 -39.5 44.9 PSI 47 47 A 29 GLY C A 30 ASN N A 30 ASN CA A 30 ASN C 1.0 -127.4 -54.6 PHI 48 48 A 30 ASN N A 30 ASN CA A 30 ASN C A 31 TYR N 1.0 43.5 180.3 PSI 49 49 A 30 ASN C A 31 TYR N A 31 TYR CA A 31 TYR C 1.0 -69.6 -39.8 PHI 50 50 A 31 TYR N A 31 TYR CA A 31 TYR C A 32 GLU N 1.0 -71.3 -19.9 PSI 51 51 A 31 TYR C A 32 GLU N A 32 GLU CA A 32 GLU C 1.0 -71.0 -47.4 PHI 52 52 A 32 GLU N A 32 GLU CA A 32 GLU C A 33 GLN N 1.0 -57.4 -31.8 PSI 53 53 A 32 GLU C A 33 GLN N A 33 GLN CA A 33 GLN C 1.0 -75.0 -52.6 PHI 54 54 A 33 GLN N A 33 GLN CA A 33 GLN C A 34 GLN N 1.0 -56.7 -20.7 PSI 55 55 A 33 GLN C A 34 GLN N A 34 GLN CA A 34 GLN C 1.0 -82.2 -39.8 PHI 56 56 A 34 GLN N A 34 GLN CA A 34 GLN C A 35 GLN N 1.0 -61.7 -22.5 PSI 57 57 A 34 GLN C A 35 GLN N A 35 GLN CA A 35 GLN C 1.0 -85.3 -52.5 PHI 58 58 A 35 GLN N A 35 GLN CA A 35 GLN C A 36 ILE N 1.0 -55.4 -17.8 PSI 59 59 A 35 GLN C A 36 ILE N A 36 ILE CA A 36 ILE C 1.0 -76.1 -53.7 PHI 60 60 A 36 ILE N A 36 ILE CA A 36 ILE C A 37 LEU N 1.0 -57.5 -33.7 PSI 61 61 A 36 ILE C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -78.5 -56.5 PHI 62 62 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 ILE N 1.0 -58.9 -23.9 PSI 63 63 A 37 LEU C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -76.2 -40.6 PHI 64 64 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 ARG N 1.0 -61.8 -30.4 PSI 65 65 A 38 ILE C A 39 ARG N A 39 ARG CA A 39 ARG C 1.0 -69.7 -47.5 PHI 66 66 A 39 ARG N A 39 ARG CA A 39 ARG C A 40 GLN N 1.0 -50.8 -30.8 PSI 67 67 A 39 ARG C A 40 GLN N A 40 GLN CA A 40 GLN C 1.0 -94.6 -43.8 PHI 68 68 A 40 GLN N A 40 GLN CA A 40 GLN C A 41 LEU N 1.0 -63.5 -10.9 PSI 69 69 A 40 GLN C A 41 LEU N A 41 LEU CA A 41 LEU C 1.0 -76.1 -55.3 PHI 70 70 A 41 LEU N A 41 LEU CA A 41 LEU C A 42 GLN N 1.0 -55.7 -24.1 PSI 71 71 A 41 LEU C A 42 GLN N A 42 GLN CA A 42 GLN C 1.0 -73.6 -53.6 PHI 72 72 A 42 GLN N A 42 GLN CA A 42 GLN C A 43 GLU N 1.0 -50.9 -31.1 PSI 73 73 A 42 GLN C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -79.4 -54.2 PHI 74 74 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 GLN N 1.0 -53.9 -20.3 PSI 75 75 A 43 GLU C A 44 GLN N A 44 GLN CA A 44 GLN C 1.0 -94.5 -44.9 PHI 76 76 A 44 GLN N A 44 GLN CA A 44 GLN C A 45 HIS N 1.0 -62.9 -7.9 PSI 77 77 A 44 GLN C A 45 HIS N A 45 HIS CA A 45 HIS C 1.0 -94.6 -43.8 PHI 78 78 A 45 HIS N A 45 HIS CA A 45 HIS C A 46 TYR N 1.0 -64.4 -10.4 PSI 79 79 A 45 HIS C A 46 TYR N A 46 TYR CA A 46 TYR C 1.0 -73.7 -53.7 PHI 80 80 A 46 TYR N A 46 TYR CA A 46 TYR C A 47 GLN N 1.0 -55.5 -27.3 PSI 81 81 A 46 TYR C A 47 GLN N A 47 GLN CA A 47 GLN C 1.0 -73.9 -45.7 PHI 82 82 A 47 GLN N A 47 GLN CA A 47 GLN C A 48 GLN N 1.0 -57.1 -30.3 PSI 83 83 A 47 GLN C A 48 GLN N A 48 GLN CA A 48 GLN C 1.0 -85.6 -54.2 PHI 84 84 A 48 GLN N A 48 GLN CA A 48 GLN C A 49 TYR N 1.0 -54.3 -19.3 PSI 85 85 A 48 GLN C A 49 TYR N A 49 TYR CA A 49 TYR C 1.0 -72.4 -49.8 PHI 86 86 A 49 TYR N A 49 TYR CA A 49 TYR C A 50 MET N 1.0 -55.2 -35.2 PSI 87 87 A 49 TYR C A 50 MET N A 50 MET CA A 50 MET C 1.0 -79.9 -51.3 PHI 88 88 A 50 MET N A 50 MET CA A 50 MET C A 51 GLN N 1.0 -55.0 -11.2 PSI 89 89 A 50 MET C A 51 GLN N A 51 GLN CA A 51 GLN C 1.0 -80.5 -51.9 PHI 90 90 A 51 GLN N A 51 GLN CA A 51 GLN C A 52 GLN N 1.0 -51.6 -21.4 PSI 91 91 A 51 GLN C A 52 GLN N A 52 GLN CA A 52 GLN C 1.0 -75.7 -54.7 PHI 92 92 A 52 GLN N A 52 GLN CA A 52 GLN C A 53 LEU N 1.0 -52.3 -32.3 PSI 93 93 A 52 GLN C A 53 LEU N A 53 LEU CA A 53 LEU C 1.0 -76.8 -52.4 PHI 94 94 A 53 LEU N A 53 LEU CA A 53 LEU C A 54 TYR N 1.0 -60.5 -14.5 PSI 95 95 A 53 LEU C A 54 TYR N A 54 TYR CA A 54 TYR C 1.0 -77.5 -52.9 PHI 96 96 A 54 TYR N A 54 TYR CA A 54 TYR C A 55 GLN N 1.0 -56.9 -25.5 PSI 97 97 A 54 TYR C A 55 GLN N A 55 GLN CA A 55 GLN C 1.0 -74.6 -52.4 PHI 98 98 A 55 GLN N A 55 GLN CA A 55 GLN C A 56 VAL N 1.0 -53.0 -25.4 PSI 99 99 A 55 GLN C A 56 VAL N A 56 VAL CA A 56 VAL C 1.0 -77.4 -57.4 PHI 100 100 A 56 VAL N A 56 VAL CA A 56 VAL C A 57 GLN N 1.0 -51.9 -31.9 PSI 101 101 A 56 VAL C A 57 GLN N A 57 GLN CA A 57 GLN C 1.0 -72.5 -52.5 PHI 102 102 A 57 GLN N A 57 GLN CA A 57 GLN C A 58 LEU N 1.0 -52.6 -32.6 PSI 103 103 A 57 GLN C A 58 LEU N A 58 LEU CA A 58 LEU C 1.0 -75.5 -50.3 PHI 104 104 A 58 LEU N A 58 LEU CA A 58 LEU C A 59 ALA N 1.0 -54.2 -32.2 PSI 105 105 A 58 LEU C A 59 ALA N A 59 ALA CA A 59 ALA C 1.0 -73.6 -52.2 PHI 106 106 A 59 ALA N A 59 ALA CA A 59 ALA C A 60 GLN N 1.0 -51.2 -31.2 PSI 107 107 A 59 ALA C A 60 GLN N A 60 GLN CA A 60 GLN C 1.0 -73.3 -53.3 PHI 108 108 A 60 GLN N A 60 GLN CA A 60 GLN C A 61 GLN N 1.0 -52.7 -31.5 PSI 109 109 A 60 GLN C A 61 GLN N A 61 GLN CA A 61 GLN C 1.0 -71.7 -51.3 PHI 110 110 A 61 GLN N A 61 GLN CA A 61 GLN C A 62 GLN N 1.0 -55.7 -20.3 PSI 111 111 A 61 GLN C A 62 GLN N A 62 GLN CA A 62 GLN C 1.0 -73.5 -52.5 PHI 112 112 A 62 GLN N A 62 GLN CA A 62 GLN C A 63 ALA N 1.0 -58.5 -25.9 PSI 113 113 A 62 GLN C A 63 ALA N A 63 ALA CA A 63 ALA C 1.0 -84.4 -43.4 PHI 114 114 A 63 ALA N A 63 ALA CA A 63 ALA C A 64 ALA N 1.0 -59.3 -10.7 PSI 115 115 A 63 ALA C A 64 ALA N A 64 ALA CA A 64 ALA C 1.0 -109.9 -35.3 PHI 116 116 A 64 ALA N A 64 ALA CA A 64 ALA C A 65 LEU N 1.0 -60.2 1.0 PSI 117 117 A 64 ALA C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -118.2 -48.4 PHI 118 118 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 GLN N 1.0 -54.8 6.8 PSI stop_ save_