data_nef_c34068_5mfy 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 34067 PDB 5MFY stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 ALA middle . . 3 A 3 MET middle . . 4 A 4 GLY middle . false 5 A 5 THR middle . . 6 A 6 LYS middle . . 7 A 7 TYR middle . . 8 A 8 ALA middle . . 9 A 9 VAL middle . . 10 A 10 PRO middle . false 11 A 11 ASP middle . . 12 A 12 THR middle . . 13 A 13 SER middle . . 14 A 14 THR middle . . 15 A 15 TYR middle . . 16 A 16 GLN middle . . 17 A 17 TYR middle . . 18 A 18 ASP middle . . 19 A 19 GLU middle . . 20 A 20 SER middle . . 21 A 21 SER middle . . 22 A 22 GLY middle . false 23 A 23 TYR middle . . 24 A 24 TYR middle . . 25 A 25 TYR middle . . 26 A 26 ASP middle . . 27 A 27 PRO middle . false 28 A 28 THR middle . . 29 A 29 THR middle . . 30 A 30 GLY middle . false 31 A 31 LEU middle . . 32 A 32 TYR middle . . 33 A 33 TYR middle . . 34 A 34 ASP middle . . 35 A 35 PRO middle . false 36 A 36 ASN middle . . 37 A 37 SER middle . . 38 A 38 GLN middle . . 39 A 39 TYR middle . . 40 A 40 TYR middle . . 41 A 41 TYR middle . . 42 A 42 ASN middle . . 43 A 43 SER middle . . 44 A 44 LEU middle . . 45 A 45 THR middle . . 46 A 46 GLN middle . . 47 A 47 GLN middle . . 48 A 48 TYR middle . . 49 A 49 LEU middle . . 50 A 50 TYR middle . . 51 A 51 TRP middle . . 52 A 52 ASP middle . . 53 A 53 GLY middle . false 54 A 54 GLU middle . . 55 A 55 LYS middle . . 56 A 56 GLU middle . . 57 A 57 THR middle . . 58 A 58 TYR middle . . 59 A 59 VAL middle . . 60 A 60 PRO middle . false 61 A 61 ALA middle . . 62 A 62 ALA middle . . 63 A 63 GLU middle . . 64 A 64 SER end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY HAy H 1 3.769 0.000 A 1 GLY CA C 13 43.288 0.000 A 2 ALA HA H 1 4.309 0.000 A 2 ALA HB% H 1 1.344 0.000 A 2 ALA C C 13 177.839 0.000 A 2 ALA CA C 13 52.598 0.050 A 2 ALA CB C 13 19.348 0.038 A 3 MET H H 1 8.514 0.002 A 3 MET HA H 1 4.458 0.000 A 3 MET HBx H 1 1.984 0.000 A 3 MET HBy H 1 2.074 0.000 A 3 MET HE% H 1 2.014 0.000 A 3 MET HGx H 1 2.497 0.000 A 3 MET HGy H 1 2.579 0.000 A 3 MET C C 13 176.687 0.000 A 3 MET CA C 13 55.620 0.056 A 3 MET CB C 13 32.641 0.066 A 3 MET CE C 13 16.861 0.000 A 3 MET CG C 13 32.059 0.006 A 3 MET N N 15 119.734 0.012 A 4 GLY H H 1 8.403 0.002 A 4 GLY HAy H 1 3.963 0.000 A 4 GLY C C 13 174.013 0.000 A 4 GLY CA C 13 45.327 0.014 A 4 GLY N N 15 110.241 0.030 A 5 THR H H 1 8.003 0.001 A 5 THR HA H 1 4.210 0.000 A 5 THR HB H 1 4.062 0.000 A 5 THR HG2% H 1 1.016 0.000 A 5 THR C C 13 173.868 0.000 A 5 THR CA C 13 62.071 0.047 A 5 THR CB C 13 69.935 0.042 A 5 THR CG2 C 13 21.657 0.000 A 5 THR N N 15 114.560 0.031 A 6 LYS H H 1 8.215 0.002 A 6 LYS HA H 1 4.383 0.000 A 6 LYS HBx H 1 1.617 0.000 A 6 LYS HBy H 1 1.688 0.000 A 6 LYS HDy H 1 1.583 0.000 A 6 LYS HEy H 1 2.897 0.000 A 6 LYS HGx H 1 1.212 0.000 A 6 LYS HGy H 1 1.273 0.000 A 6 LYS C C 13 175.742 0.000 A 6 LYS CA C 13 56.149 0.042 A 6 LYS CB C 13 33.348 0.020 A 6 LYS CD C 13 28.970 0.000 A 6 LYS CE C 13 42.142 0.000 A 6 LYS CG C 13 24.633 0.016 A 6 LYS N N 15 123.943 0.012 A 7 TYR H H 1 8.303 0.004 A 7 TYR HA H 1 4.616 0.000 A 7 TYR HBx H 1 2.850 0.000 A 7 TYR HBy H 1 3.259 0.000 A 7 TYR HDx H 1 7.238 0.000 A 7 TYR HDy H 1 7.238 0.000 A 7 TYR HEx H 1 6.805 0.000 A 7 TYR HEy H 1 6.805 0.000 A 7 TYR C C 13 175.092 0.000 A 7 TYR CA C 13 57.505 0.067 A 7 TYR CB C 13 40.336 0.110 A 7 TYR CDx C 13 133.501 0.000 A 7 TYR CDy C 13 133.501 0.000 A 7 TYR CEx C 13 118.022 0.000 A 7 TYR CEy C 13 118.022 0.000 A 7 TYR N N 15 121.579 0.023 A 8 ALA H H 1 8.254 0.003 A 8 ALA HA H 1 4.314 0.000 A 8 ALA HB% H 1 1.294 0.000 A 8 ALA C C 13 176.356 0.000 A 8 ALA CA C 13 51.564 0.074 A 8 ALA CB C 13 19.620 0.035 A 8 ALA N N 15 124.718 0.011 A 9 VAL H H 1 7.913 0.002 A 9 VAL HA H 1 3.769 0.000 A 9 VAL HB H 1 1.862 0.000 A 9 VAL HGx% H 1 0.879 0.000 A 9 VAL HGy% H 1 0.978 0.000 A 9 VAL CA C 13 59.931 0.004 A 9 VAL CB C 13 32.218 0.024 A 9 VAL CGx C 13 20.939 0.000 A 9 VAL CGy C 13 20.956 0.000 A 9 VAL N N 15 119.922 0.009 A 10 PRO HA H 1 3.885 0.000 A 10 PRO HBx H 1 1.307 0.000 A 10 PRO HBy H 1 1.827 0.000 A 10 PRO HDx H 1 2.133 0.000 A 10 PRO HDy H 1 2.478 0.000 A 10 PRO HGx H 1 1.027 0.000 A 10 PRO HGy H 1 1.123 0.000 A 10 PRO C C 13 175.890 0.000 A 10 PRO CA C 13 62.985 0.061 A 10 PRO CB C 13 32.252 0.050 A 10 PRO CD C 13 49.891 0.009 A 10 PRO CG C 13 26.477 0.002 A 11 ASP H H 1 8.100 0.003 A 11 ASP HA H 1 4.550 0.000 A 11 ASP HBy H 1 2.662 0.000 A 11 ASP HBx H 1 2.429 0.000 A 11 ASP C C 13 176.793 0.000 A 11 ASP CA C 13 52.519 0.025 A 11 ASP CB C 13 40.636 0.020 A 11 ASP N N 15 120.581 0.016 A 12 THR H H 1 8.100 0.003 A 12 THR HA H 1 2.398 0.000 A 12 THR HB H 1 3.602 0.000 A 12 THR HG2% H 1 0.589 0.000 A 12 THR C C 13 176.321 0.000 A 12 THR CA C 13 62.373 0.060 A 12 THR CB C 13 68.170 0.051 A 12 THR CG2 C 13 20.602 0.000 A 12 THR N N 15 115.163 0.030 A 13 SER H H 1 8.196 0.001 A 13 SER HA H 1 4.140 0.000 A 13 SER HBx H 1 3.826 0.000 A 13 SER HBy H 1 3.868 0.000 A 13 SER C C 13 175.470 0.000 A 13 SER CA C 13 61.243 0.016 A 13 SER CB C 13 62.794 0.077 A 13 SER N N 15 118.800 0.028 A 14 THR H H 1 7.364 0.002 A 14 THR HA H 1 4.402 0.000 A 14 THR HB H 1 4.460 0.000 A 14 THR HG2% H 1 1.108 0.000 A 14 THR C C 13 174.965 0.000 A 14 THR CA C 13 61.837 0.040 A 14 THR CB C 13 69.854 0.029 A 14 THR CG2 C 13 21.474 0.000 A 14 THR N N 15 110.320 0.017 A 15 TYR H H 1 7.279 0.003 A 15 TYR HA H 1 5.011 0.000 A 15 TYR HBy H 1 3.266 0.000 A 15 TYR HBx H 1 3.205 0.000 A 15 TYR HDx H 1 6.813 0.000 A 15 TYR HDy H 1 6.813 0.000 A 15 TYR HEx H 1 6.217 0.000 A 15 TYR HEy H 1 6.217 0.000 A 15 TYR C C 13 176.168 0.000 A 15 TYR CA C 13 55.017 0.065 A 15 TYR CB C 13 37.558 0.021 A 15 TYR CDx C 13 130.520 0.000 A 15 TYR CDy C 13 130.520 0.000 A 15 TYR CEx C 13 118.587 0.000 A 15 TYR CEy C 13 118.587 0.000 A 15 TYR N N 15 121.313 0.018 A 16 GLN H H 1 9.253 0.002 A 16 GLN HA H 1 4.894 0.000 A 16 GLN HBx H 1 2.228 0.000 A 16 GLN HBy H 1 2.264 0.000 A 16 GLN HE2x H 1 6.895 0.000 A 16 GLN HE2y H 1 7.621 0.000 A 16 GLN HGy H 1 2.560 0.000 A 16 GLN C C 13 175.745 0.000 A 16 GLN CA C 13 54.421 0.043 A 16 GLN CB C 13 31.057 0.028 A 16 GLN CG C 13 33.544 0.000 A 16 GLN N N 15 120.213 0.010 A 16 GLN NE2 N 15 111.751 0.001 A 17 TYR H H 1 9.344 0.003 A 17 TYR HA H 1 3.937 0.000 A 17 TYR HBx H 1 2.726 0.000 A 17 TYR HBy H 1 2.798 0.000 A 17 TYR HDx H 1 6.196 0.000 A 17 TYR HDy H 1 6.196 0.000 A 17 TYR HEx H 1 6.492 0.000 A 17 TYR HEy H 1 6.492 0.000 A 17 TYR C C 13 173.991 0.000 A 17 TYR CA C 13 59.406 0.066 A 17 TYR CB C 13 38.642 0.032 A 17 TYR CDx C 13 132.458 0.000 A 17 TYR CDy C 13 132.458 0.000 A 17 TYR CEx C 13 117.720 0.000 A 17 TYR CEy C 13 117.720 0.000 A 17 TYR N N 15 126.890 0.007 A 18 ASP H H 1 8.028 0.001 A 18 ASP HA H 1 4.713 0.000 A 18 ASP HBy H 1 2.945 0.000 A 18 ASP HBx H 1 2.389 0.000 A 18 ASP C C 13 173.897 0.000 A 18 ASP CA C 13 52.356 0.039 A 18 ASP CB C 13 42.050 0.015 A 18 ASP N N 15 129.314 0.022 A 19 GLU H H 1 8.623 0.001 A 19 GLU HA H 1 3.614 0.000 A 19 GLU HBy H 1 1.994 0.000 A 19 GLU HGy H 1 2.311 0.000 A 19 GLU C C 13 177.867 0.000 A 19 GLU CA C 13 58.710 0.045 A 19 GLU CB C 13 29.465 0.006 A 19 GLU CG C 13 35.980 0.000 A 19 GLU N N 15 125.037 0.006 A 20 SER H H 1 8.086 0.001 A 20 SER HA H 1 4.104 0.000 A 20 SER HBx H 1 3.825 0.000 A 20 SER HBy H 1 3.873 0.000 A 20 SER C C 13 174.940 0.000 A 20 SER CA C 13 61.135 0.065 A 20 SER CB C 13 62.862 0.022 A 20 SER N N 15 112.889 0.023 A 21 SER H H 1 7.336 0.002 A 21 SER HA H 1 4.188 0.000 A 21 SER HBy H 1 3.498 0.000 A 21 SER HBx H 1 3.334 0.000 A 21 SER C C 13 175.539 0.000 A 21 SER CA C 13 58.727 0.057 A 21 SER CB C 13 65.077 0.059 A 21 SER N N 15 113.466 0.027 A 22 GLY H H 1 8.159 0.001 A 22 GLY HAy H 1 3.962 0.000 A 22 GLY HAx H 1 3.629 0.000 A 22 GLY C C 13 173.089 0.000 A 22 GLY CA C 13 45.316 0.046 A 22 GLY N N 15 111.502 0.029 A 23 TYR H H 1 7.792 0.001 A 23 TYR HA H 1 5.284 0.000 A 23 TYR HBx H 1 3.059 0.000 A 23 TYR HBy H 1 3.541 0.000 A 23 TYR HDx H 1 6.898 0.000 A 23 TYR HDy H 1 6.898 0.000 A 23 TYR HEx H 1 6.549 0.000 A 23 TYR HEy H 1 6.549 0.000 A 23 TYR C C 13 174.972 0.000 A 23 TYR CA C 13 54.658 0.057 A 23 TYR CB C 13 40.331 0.054 A 23 TYR CDx C 13 131.313 0.000 A 23 TYR CDy C 13 131.313 0.000 A 23 TYR CEx C 13 117.900 0.000 A 23 TYR CEy C 13 117.900 0.000 A 23 TYR N N 15 117.989 0.025 A 24 TYR H H 1 9.156 0.002 A 24 TYR HA H 1 5.198 0.000 A 24 TYR HBx H 1 3.150 0.000 A 24 TYR HBy H 1 3.369 0.000 A 24 TYR HDx H 1 7.262 0.000 A 24 TYR HDy H 1 7.262 0.000 A 24 TYR HEx H 1 6.999 0.000 A 24 TYR HEy H 1 6.999 0.000 A 24 TYR C C 13 175.161 0.000 A 24 TYR CA C 13 58.047 0.032 A 24 TYR CB C 13 41.108 0.022 A 24 TYR CDx C 13 132.932 0.000 A 24 TYR CDy C 13 132.932 0.000 A 24 TYR CEx C 13 118.701 0.000 A 24 TYR CEy C 13 118.701 0.000 A 24 TYR N N 15 116.735 0.016 A 25 TYR H H 1 9.549 0.002 A 25 TYR HA H 1 4.601 0.000 A 25 TYR HBy H 1 2.770 0.000 A 25 TYR HDx H 1 6.096 0.000 A 25 TYR HDy H 1 6.096 0.000 A 25 TYR HEx H 1 6.392 0.000 A 25 TYR HEy H 1 6.392 0.000 A 25 TYR C C 13 173.010 0.000 A 25 TYR CA C 13 57.061 0.093 A 25 TYR CB C 13 41.487 0.060 A 25 TYR CDx C 13 132.709 0.000 A 25 TYR CDy C 13 132.709 0.000 A 25 TYR CEx C 13 117.362 0.000 A 25 TYR CEy C 13 117.362 0.000 A 25 TYR N N 15 123.246 0.004 A 26 ASP H H 1 7.773 0.002 A 26 ASP HA H 1 4.626 0.000 A 26 ASP HBx H 1 1.083 0.000 A 26 ASP HBy H 1 2.498 0.000 A 26 ASP CA C 13 48.975 0.029 A 26 ASP CB C 13 41.603 0.055 A 26 ASP N N 15 126.480 0.012 A 27 PRO HA H 1 3.913 0.000 A 27 PRO HBy H 1 2.387 0.000 A 27 PRO HBx H 1 1.987 0.000 A 27 PRO HDy H 1 4.022 0.000 A 27 PRO HGx H 1 1.996 0.000 A 27 PRO HGy H 1 2.064 0.000 A 27 PRO C C 13 178.178 0.000 A 27 PRO CA C 13 63.642 0.032 A 27 PRO CB C 13 32.294 0.064 A 27 PRO CD C 13 51.063 0.000 A 27 PRO CG C 13 27.061 0.003 A 28 THR H H 1 7.994 0.002 A 28 THR HA H 1 4.055 0.000 A 28 THR HB H 1 4.246 0.000 A 28 THR HG2% H 1 1.222 0.000 A 28 THR C C 13 175.715 0.000 A 28 THR CA C 13 65.012 0.086 A 28 THR CB C 13 68.471 0.050 A 28 THR CG2 C 13 21.978 0.000 A 28 THR N N 15 111.359 0.020 A 29 THR H H 1 6.612 0.002 A 29 THR HA H 1 4.249 0.000 A 29 THR HB H 1 3.791 0.000 A 29 THR HG2% H 1 1.008 0.000 A 29 THR C C 13 176.236 0.000 A 29 THR CA C 13 61.710 0.026 A 29 THR CB C 13 71.193 0.010 A 29 THR CG2 C 13 21.013 0.000 A 29 THR N N 15 108.376 0.015 A 30 GLY H H 1 8.328 0.001 A 30 GLY HAy H 1 4.028 0.000 A 30 GLY HAx H 1 3.530 0.000 A 30 GLY C C 13 173.250 0.000 A 30 GLY CA C 13 45.224 0.048 A 30 GLY N N 15 111.450 0.029 A 31 LEU H H 1 7.417 0.001 A 31 LEU HA H 1 4.501 0.000 A 31 LEU HBy H 1 1.670 0.000 A 31 LEU HBx H 1 1.358 0.000 A 31 LEU HDx% H 1 0.576 0.000 A 31 LEU HDy% H 1 -0.110 0.000 A 31 LEU HG H 1 1.134 0.000 A 31 LEU C C 13 175.078 0.000 A 31 LEU CA C 13 54.016 0.041 A 31 LEU CB C 13 44.090 0.015 A 31 LEU CDx C 13 22.829 0.000 A 31 LEU CDy C 13 23.603 0.000 A 31 LEU CG C 13 26.705 0.000 A 31 LEU N N 15 119.283 0.005 A 32 TYR H H 1 8.542 0.001 A 32 TYR HA H 1 5.391 0.000 A 32 TYR HBx H 1 3.004 0.000 A 32 TYR HBy H 1 3.118 0.000 A 32 TYR HDx H 1 7.306 0.000 A 32 TYR HDy H 1 7.306 0.000 A 32 TYR HEx H 1 6.847 0.000 A 32 TYR HEy H 1 6.847 0.000 A 32 TYR C C 13 175.561 0.000 A 32 TYR CA C 13 57.192 0.070 A 32 TYR CB C 13 40.804 0.041 A 32 TYR CDx C 13 133.341 0.000 A 32 TYR CDy C 13 133.341 0.000 A 32 TYR CEx C 13 118.310 0.000 A 32 TYR CEy C 13 118.310 0.000 A 32 TYR N N 15 116.433 0.015 A 33 TYR H H 1 9.671 0.001 A 33 TYR HA H 1 4.791 0.000 A 33 TYR HBx H 1 2.494 0.000 A 33 TYR HBy H 1 2.642 0.000 A 33 TYR HDx H 1 5.989 0.000 A 33 TYR HDy H 1 5.989 0.000 A 33 TYR HEx H 1 6.377 0.000 A 33 TYR HEy H 1 6.377 0.000 A 33 TYR C C 13 173.161 0.000 A 33 TYR CA C 13 57.097 0.068 A 33 TYR CB C 13 42.208 0.090 A 33 TYR CDx C 13 132.619 0.000 A 33 TYR CDy C 13 132.619 0.000 A 33 TYR CEx C 13 117.271 0.000 A 33 TYR CEy C 13 117.271 0.000 A 33 TYR N N 15 121.683 0.010 A 34 ASP H H 1 7.880 0.002 A 34 ASP HA H 1 5.095 0.000 A 34 ASP HBx H 1 2.068 0.000 A 34 ASP HBy H 1 2.873 0.000 A 34 ASP CA C 13 49.205 0.027 A 34 ASP CB C 13 42.597 0.018 A 34 ASP N N 15 127.301 0.008 A 35 PRO HA H 1 3.967 0.000 A 35 PRO HBy H 1 2.315 0.000 A 35 PRO HBx H 1 2.082 0.000 A 35 PRO HDy H 1 4.360 0.000 A 35 PRO HDx H 1 4.134 0.000 A 35 PRO HGy H 1 2.137 0.000 A 35 PRO HGx H 1 2.066 0.000 A 35 PRO C C 13 177.196 0.000 A 35 PRO CA C 13 63.695 0.023 A 35 PRO CB C 13 32.331 0.001 A 35 PRO CD C 13 51.269 0.029 A 35 PRO CG C 13 27.273 0.000 A 36 ASN H H 1 8.131 0.001 A 36 ASN HA H 1 4.527 0.000 A 36 ASN HBy H 1 2.983 0.000 A 36 ASN HBx H 1 2.806 0.000 A 36 ASN HD2y H 1 8.022 0.000 A 36 ASN HD2x H 1 7.107 0.000 A 36 ASN C C 13 175.431 0.000 A 36 ASN CA C 13 55.680 0.055 A 36 ASN CB C 13 38.618 0.028 A 36 ASN N N 15 116.023 0.008 A 36 ASN ND2 N 15 115.664 0.000 A 37 SER H H 1 7.213 0.002 A 37 SER HA H 1 4.161 0.000 A 37 SER HBy H 1 3.570 0.000 A 37 SER HBx H 1 3.457 0.000 A 37 SER C C 13 174.264 0.000 A 37 SER CA C 13 58.648 0.069 A 37 SER CB C 13 64.406 0.059 A 37 SER N N 15 112.763 0.032 A 38 GLN H H 1 8.062 0.002 A 38 GLN HA H 1 3.664 0.000 A 38 GLN HBx H 1 2.222 0.000 A 38 GLN HBy H 1 2.424 0.000 A 38 GLN HE2x H 1 6.726 0.000 A 38 GLN HE2y H 1 7.411 0.000 A 38 GLN HGy H 1 2.222 0.000 A 38 GLN HGx H 1 2.100 0.000 A 38 GLN C C 13 174.061 0.000 A 38 GLN CA C 13 58.031 0.045 A 38 GLN CB C 13 25.765 0.013 A 38 GLN CG C 13 34.660 0.002 A 38 GLN N N 15 114.537 0.015 A 38 GLN NE2 N 15 111.979 0.002 A 39 TYR H H 1 7.505 0.002 A 39 TYR HA H 1 5.449 0.000 A 39 TYR HBx H 1 3.039 0.000 A 39 TYR HBy H 1 3.522 0.000 A 39 TYR HDx H 1 7.090 0.000 A 39 TYR HDy H 1 7.090 0.000 A 39 TYR HEx H 1 6.717 0.000 A 39 TYR HEy H 1 6.717 0.000 A 39 TYR C C 13 175.784 0.000 A 39 TYR CA C 13 56.059 0.061 A 39 TYR CB C 13 40.085 0.051 A 39 TYR CDx C 13 132.113 0.000 A 39 TYR CDy C 13 132.113 0.000 A 39 TYR CEx C 13 117.886 0.000 A 39 TYR CEy C 13 117.886 0.000 A 39 TYR N N 15 115.490 0.017 A 40 TYR H H 1 9.637 0.001 A 40 TYR HA H 1 5.550 0.000 A 40 TYR HBy H 1 2.892 0.000 A 40 TYR HBx H 1 2.818 0.000 A 40 TYR HDx H 1 7.214 0.000 A 40 TYR HDy H 1 7.214 0.000 A 40 TYR HEx H 1 6.887 0.000 A 40 TYR HEy H 1 6.887 0.000 A 40 TYR C C 13 175.454 0.000 A 40 TYR CA C 13 57.203 0.056 A 40 TYR CB C 13 41.356 0.035 A 40 TYR CDx C 13 133.578 0.000 A 40 TYR CDy C 13 133.578 0.000 A 40 TYR CEx C 13 118.063 0.000 A 40 TYR CEy C 13 118.063 0.000 A 40 TYR N N 15 118.929 0.035 A 41 TYR H H 1 9.460 0.002 A 41 TYR HA H 1 5.043 0.000 A 41 TYR HBx H 1 2.426 0.000 A 41 TYR HBy H 1 2.633 0.000 A 41 TYR HDx H 1 5.910 0.000 A 41 TYR HDy H 1 5.910 0.000 A 41 TYR HEx H 1 6.161 0.000 A 41 TYR HEy H 1 6.161 0.000 A 41 TYR C C 13 173.499 0.000 A 41 TYR CA C 13 56.455 0.049 A 41 TYR CB C 13 41.899 0.046 A 41 TYR CDx C 13 132.795 0.000 A 41 TYR CDy C 13 132.795 0.000 A 41 TYR CEx C 13 116.997 0.000 A 41 TYR CEy C 13 116.997 0.000 A 41 TYR N N 15 121.892 0.011 A 42 ASN H H 1 8.069 0.001 A 42 ASN HA H 1 4.822 0.000 A 42 ASN HBy H 1 3.049 0.000 A 42 ASN HBx H 1 2.028 0.000 A 42 ASN HD2y H 1 7.170 0.000 A 42 ASN HD2x H 1 7.124 0.000 A 42 ASN C C 13 175.081 0.000 A 42 ASN CA C 13 50.904 0.051 A 42 ASN CB C 13 39.147 0.044 A 42 ASN N N 15 125.486 0.008 A 42 ASN ND2 N 15 113.411 0.000 A 43 SER H H 1 8.856 0.002 A 43 SER HA H 1 3.694 0.000 A 43 SER HBx H 1 3.810 0.000 A 43 SER HBy H 1 4.070 0.000 A 43 SER C C 13 175.092 0.000 A 43 SER CA C 13 60.176 0.035 A 43 SER CB C 13 63.371 0.078 A 43 SER N N 15 119.290 0.003 A 44 LEU H H 1 8.132 0.001 A 44 LEU HA H 1 4.302 0.000 A 44 LEU HBy H 1 1.828 0.000 A 44 LEU HBx H 1 1.640 0.000 A 44 LEU HDx% H 1 0.841 0.000 A 44 LEU HDy% H 1 0.907 0.000 A 44 LEU HG H 1 1.600 0.000 A 44 LEU C C 13 178.804 0.000 A 44 LEU CA C 13 57.070 0.080 A 44 LEU CB C 13 41.802 0.032 A 44 LEU CDx C 13 23.575 0.000 A 44 LEU CDy C 13 24.437 0.000 A 44 LEU CG C 13 27.272 0.000 A 44 LEU N N 15 122.394 0.022 A 45 THR H H 1 7.067 0.001 A 45 THR HA H 1 4.166 0.000 A 45 THR HB H 1 4.198 0.000 A 45 THR HG2% H 1 0.977 0.000 A 45 THR C C 13 175.135 0.000 A 45 THR CA C 13 61.075 0.065 A 45 THR CB C 13 69.318 0.025 A 45 THR CG2 C 13 21.707 0.000 A 45 THR N N 15 107.146 0.033 A 46 GLN H H 1 7.884 0.001 A 46 GLN HA H 1 3.551 0.000 A 46 GLN HBy H 1 2.354 0.000 A 46 GLN HBx H 1 2.216 0.000 A 46 GLN HE2x H 1 6.668 0.000 A 46 GLN HE2y H 1 7.381 0.000 A 46 GLN HGx H 1 2.086 0.000 A 46 GLN HGy H 1 2.218 0.000 A 46 GLN C C 13 174.052 0.000 A 46 GLN CA C 13 57.162 0.072 A 46 GLN CB C 13 25.494 0.032 A 46 GLN CG C 13 34.324 0.000 A 46 GLN N N 15 116.868 0.009 A 46 GLN NE2 N 15 112.054 0.002 A 47 GLN H H 1 6.951 0.001 A 47 GLN HA H 1 4.605 0.000 A 47 GLN HBy H 1 1.885 0.000 A 47 GLN HBx H 1 1.619 0.000 A 47 GLN HE2y H 1 7.761 0.000 A 47 GLN HE2x H 1 6.951 0.000 A 47 GLN HGy H 1 2.266 0.000 A 47 GLN C C 13 174.377 0.000 A 47 GLN CA C 13 54.617 0.032 A 47 GLN CB C 13 32.957 0.135 A 47 GLN CG C 13 34.154 0.000 A 47 GLN N N 15 116.126 0.022 A 47 GLN NE2 N 15 113.323 0.000 A 48 TYR H H 1 8.621 0.001 A 48 TYR HA H 1 5.533 0.000 A 48 TYR HBx H 1 2.626 0.000 A 48 TYR HBy H 1 2.748 0.000 A 48 TYR HDx H 1 7.188 0.000 A 48 TYR HDy H 1 7.188 0.000 A 48 TYR HEx H 1 6.660 0.000 A 48 TYR HEy H 1 6.660 0.000 A 48 TYR C C 13 176.462 0.000 A 48 TYR CA C 13 57.943 0.041 A 48 TYR CB C 13 39.571 0.017 A 48 TYR CDx C 13 133.328 0.000 A 48 TYR CDy C 13 133.328 0.000 A 48 TYR CEx C 13 118.131 0.000 A 48 TYR CEy C 13 118.131 0.000 A 48 TYR N N 15 120.850 0.012 A 49 LEU H H 1 9.551 0.001 A 49 LEU HA H 1 5.388 0.000 A 49 LEU HBx H 1 1.465 0.000 A 49 LEU HBy H 1 1.567 0.000 A 49 LEU HDx% H 1 0.674 0.000 A 49 LEU HDy% H 1 0.614 0.000 A 49 LEU HG H 1 1.428 0.000 A 49 LEU C C 13 175.076 0.000 A 49 LEU CA C 13 54.282 0.035 A 49 LEU CB C 13 47.671 0.047 A 49 LEU CDy C 13 27.052 0.000 A 49 LEU CDx C 13 24.577 0.000 A 49 LEU CG C 13 27.424 0.000 A 49 LEU N N 15 122.363 0.022 A 50 TYR H H 1 9.336 0.001 A 50 TYR HA H 1 5.728 0.000 A 50 TYR HBx H 1 3.094 0.000 A 50 TYR HBy H 1 3.310 0.000 A 50 TYR HDx H 1 7.019 0.000 A 50 TYR HDy H 1 7.019 0.000 A 50 TYR HEx H 1 6.782 0.000 A 50 TYR HEy H 1 6.782 0.000 A 50 TYR C C 13 174.146 0.000 A 50 TYR CA C 13 55.689 0.074 A 50 TYR CB C 13 41.783 0.042 A 50 TYR CDx C 13 133.757 0.000 A 50 TYR CDy C 13 133.757 0.000 A 50 TYR CEx C 13 118.039 0.000 A 50 TYR CEy C 13 118.039 0.000 A 50 TYR N N 15 117.621 0.017 A 51 TRP H H 1 9.202 0.002 A 51 TRP HA H 1 4.333 0.000 A 51 TRP HBx H 1 2.849 0.000 A 51 TRP HBy H 1 3.210 0.000 A 51 TRP HD1 H 1 6.917 0.000 A 51 TRP HE1 H 1 10.076 0.000 A 51 TRP HE3 H 1 5.354 0.001 A 51 TRP HH2 H 1 6.691 0.000 A 51 TRP HZ2 H 1 7.145 0.000 A 51 TRP HZ3 H 1 6.136 0.001 A 51 TRP C C 13 173.891 0.000 A 51 TRP CA C 13 56.886 0.053 A 51 TRP CB C 13 29.950 0.035 A 51 TRP CD1 C 13 126.844 0.000 A 51 TRP CE3 C 13 121.153 0.120 A 51 TRP CH2 C 13 124.043 0.000 A 51 TRP CZ2 C 13 112.717 0.000 A 51 TRP CZ3 C 13 121.062 0.084 A 51 TRP N N 15 122.312 0.020 A 51 TRP NE1 N 15 127.783 0.000 A 52 ASP H H 1 7.849 0.001 A 52 ASP HA H 1 4.567 0.000 A 52 ASP HBx H 1 2.120 0.000 A 52 ASP HBy H 1 2.524 0.000 A 52 ASP CA C 13 52.044 0.054 A 52 ASP CB C 13 42.796 0.034 A 52 ASP N N 15 129.271 0.028 A 53 GLY H H 1 8.407 0.003 A 53 GLY HAy H 1 3.781 0.000 A 53 GLY HAx H 1 3.547 0.000 A 53 GLY C C 13 174.730 0.000 A 53 GLY CA C 13 46.448 0.067 A 53 GLY N N 15 111.691 0.013 A 54 GLU H H 1 8.058 0.001 A 54 GLU HA H 1 4.113 0.000 A 54 GLU HBx H 1 2.038 0.000 A 54 GLU HGy H 1 2.258 0.000 A 54 GLU HGx H 1 2.092 0.000 A 54 GLU C C 13 178.042 0.000 A 54 GLU CA C 13 58.252 0.031 A 54 GLU CB C 13 29.712 0.020 A 54 GLU CG C 13 36.573 0.011 A 54 GLU N N 15 120.320 0.012 A 55 LYS H H 1 7.566 0.001 A 55 LYS HA H 1 3.966 0.000 A 55 LYS HBy H 1 1.661 0.000 A 55 LYS HBx H 1 1.090 0.000 A 55 LYS HDx H 1 1.369 0.000 A 55 LYS HDy H 1 1.488 0.000 A 55 LYS HEy H 1 2.869 0.000 A 55 LYS HGy H 1 1.317 0.000 A 55 LYS HGx H 1 1.208 0.000 A 55 LYS C C 13 175.560 0.000 A 55 LYS CA C 13 56.295 0.030 A 55 LYS CB C 13 33.815 0.059 A 55 LYS CD C 13 28.884 0.007 A 55 LYS CE C 13 41.635 0.000 A 55 LYS CG C 13 25.674 0.026 A 55 LYS N N 15 117.521 0.016 A 56 GLU H H 1 7.743 0.001 A 56 GLU HA H 1 2.993 0.000 A 56 GLU HBy H 1 2.116 0.000 A 56 GLU HGx H 1 1.989 0.000 A 56 GLU HGy H 1 2.071 0.000 A 56 GLU CA C 13 56.809 0.063 A 56 GLU CB C 13 26.649 0.020 A 56 GLU CG C 13 37.259 0.013 A 56 GLU N N 15 116.459 0.020 A 57 THR H H 1 6.386 0.009 A 57 THR HA H 1 4.203 0.000 A 57 THR HB H 1 3.877 0.000 A 57 THR HG2% H 1 0.754 0.000 A 57 THR C C 13 170.950 0.000 A 57 THR CA C 13 59.919 0.098 A 57 THR CB C 13 69.601 0.020 A 57 THR CG2 C 13 19.209 0.000 A 57 THR N N 15 109.256 0.018 A 58 TYR H H 1 7.463 0.001 A 58 TYR HA H 1 4.903 0.000 A 58 TYR HBy H 1 2.589 0.000 A 58 TYR HBx H 1 2.541 0.000 A 58 TYR HDx H 1 6.416 0.000 A 58 TYR HDy H 1 6.416 0.000 A 58 TYR HEx H 1 5.788 0.000 A 58 TYR HEy H 1 5.788 0.000 A 58 TYR C C 13 175.697 0.000 A 58 TYR CA C 13 57.541 0.083 A 58 TYR CB C 13 39.852 0.053 A 58 TYR CDx C 13 132.273 0.000 A 58 TYR CDy C 13 132.273 0.000 A 58 TYR CEx C 13 118.610 0.000 A 58 TYR CEy C 13 118.610 0.000 A 58 TYR N N 15 120.611 0.004 A 59 VAL H H 1 9.130 0.001 A 59 VAL HA H 1 4.518 0.000 A 59 VAL HB H 1 1.431 0.000 A 59 VAL CA C 13 58.557 0.035 A 59 VAL CB C 13 34.073 0.035 A 59 VAL N N 15 123.675 0.017 A 60 PRO HA H 1 4.656 0.000 A 60 PRO HBx H 1 1.931 0.000 A 60 PRO HBy H 1 2.325 0.000 A 60 PRO HDx H 1 3.631 0.000 A 60 PRO HDy H 1 3.780 0.000 A 60 PRO HGx H 1 1.818 0.000 A 60 PRO HGy H 1 2.113 0.000 A 60 PRO C C 13 176.432 0.000 A 60 PRO CA C 13 63.393 0.032 A 60 PRO CB C 13 32.209 0.024 A 60 PRO CD C 13 51.066 0.014 A 60 PRO CG C 13 27.995 0.031 A 61 ALA H H 1 8.624 0.001 A 61 ALA HA H 1 4.382 0.000 A 61 ALA HB% H 1 1.110 0.000 A 61 ALA C C 13 177.356 0.000 A 61 ALA CA C 13 52.439 0.019 A 61 ALA CB C 13 19.274 0.057 A 61 ALA N N 15 125.845 0.013 A 62 ALA H H 1 8.382 0.003 A 62 ALA HA H 1 4.395 0.000 A 62 ALA HB% H 1 1.435 0.000 A 62 ALA C C 13 177.414 0.000 A 62 ALA CA C 13 52.307 0.037 A 62 ALA CB C 13 19.655 0.047 A 62 ALA N N 15 123.129 0.009 A 63 GLU H H 1 8.441 0.002 A 63 GLU HA H 1 4.340 0.000 A 63 GLU HBy H 1 2.127 0.000 A 63 GLU HBx H 1 1.950 0.000 A 63 GLU HGx H 1 2.263 0.000 A 63 GLU HGy H 1 2.300 0.000 A 63 GLU C C 13 175.639 0.000 A 63 GLU CA C 13 56.625 0.086 A 63 GLU CB C 13 30.489 0.046 A 63 GLU CG C 13 36.385 0.005 A 63 GLU N N 15 120.758 0.014 A 64 SER H H 1 7.968 0.001 A 64 SER HA H 1 4.248 0.000 A 64 SER HBy H 1 3.822 0.000 A 64 SER CA C 13 59.962 0.055 A 64 SER CB C 13 64.916 0.056 A 64 SER N N 15 122.157 0.020 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 50 TYR HA A 50 TYR HD% 1.0 0.0 3.87 2 2 A 15 TYR HA A 15 TYR HD% 1.0 0.0 3.03 3 3 A 15 TYR HD% A 24 TYR HBx 1.0 0.0 4.17 4 4 A 15 TYR HD% A 33 TYR HBy 1.0 0.0 4.11 5 5 A 51 TRP HA A 51 TRP HD1 1.0 0.0 4.79 6 6 A 51 TRP HD1 A 51 TRP HBy 1.0 0.0 3.26 7 7 A 51 TRP HH2 A 57 THR HA 1.0 0.0 4.64 8 8 A 51 TRP HH2 A 9 VAL HA 1.0 0.0 5.10 9 9 A 51 TRP HH2 A 56 GLU HA 1.0 0.0 3.91 10 10 A 51 TRP HH2 A 7 TYR HBx 1.0 0.0 4.18 11 11 A 7 TYR HD% A 51 TRP HZ3 1.0 0.0 4.36 12 12 A 7 TYR HD% A 7 TYR HA 1.0 0.0 3.20 13 13 A 7 TYR HD% A 6 LYS HA 1.0 0.0 4.69 14 14 A 40 TYR HD% A 58 TYR HD% 1.0 0.0 3.48 15 15 A 40 TYR HD% A 33 TYR HD% 1.0 0.0 4.07 16 16 A 7 TYR HD% A 58 TYR HE% 1.0 0.0 3.61 17 17 A 50 TYR HA A 40 TYR HD% 1.0 0.0 3.26 18 18 A 40 TYR HD% A 39 TYR HA 1.0 0.0 4.67 19 19 A 39 TYR HA A 48 TYR HD% 1.0 0.0 5.12 20 20 A 40 TYR HD% A 32 TYR HA 1.0 0.0 4.74 21 21 A 40 TYR HD% A 33 TYR HA 1.0 0.0 3.84 22 22 A 40 TYR HD% A 40 TYR HA 1.0 0.0 3.21 23 23 A 48 TYR HD% A 48 TYR HA 1.0 0.0 3.66 24 24 A 50 TYR HD% A 49 LEU HA 1.0 0.0 4.01 25 25 A 50 TYR HD% A 52 ASP HA 1.0 0.0 3.83 26 26 A 50 TYR HD% A 61 ALA HA 1.0 0.0 3.26 27 27 A 25 TYR HE% A 32 TYR HD% 1.0 0.0 5.28 28 28 A 32 TYR HA A 32 TYR HD% 1.0 0.0 3.64 29 29 A 32 TYR HD% A 25 TYR HA 1.0 0.0 4.08 30 30 A 32 TYR HD% A 31 LEU HA 1.0 0.0 4.86 31 31 A 33 TYR HD% A 24 TYR HD% 1.0 0.0 3.58 32 32 A 24 TYR HD% A 23 TYR HA 1.0 0.0 4.44 33 33 A 24 TYR HD% A 24 TYR HA 1.0 0.0 3.96 34 34 A 24 TYR HD% A 35 PRO HDy 1.0 0.0 4.18 35 35 A 24 TYR HD% A 35 PRO HDx 1.0 0.0 3.89 36 36 A 24 TYR HD% A 17 TYR HA 1.0 0.0 4.18 37 37 A 48 TYR HD% A 41 TYR HE% 1.0 0.0 4.18 38 38 A 48 TYR HD% A 41 TYR HD% 1.0 0.0 3.91 39 39 A 48 TYR HD% A 41 TYR HA 1.0 0.0 4.34 40 40 A 50 TYR HA A 39 TYR HD% 1.0 0.0 4.60 41 41 A 39 TYR HA A 39 TYR HD% 1.0 0.0 3.41 42 42 A 48 TYR HA A 41 TYR HD% 1.0 0.0 3.69 43 43 A 23 TYR HA A 17 TYR HD% 1.0 0.0 4.67 44 44 A 24 TYR HA A 17 TYR HD% 1.0 0.0 3.73 45 45 A 32 TYR HA A 25 TYR HD% 1.0 0.0 4.08 46 46 A 33 TYR HD% A 40 TYR HA 1.0 0.0 4.10 47 47 A 41 TYR HD% A 41 TYR HA 1.0 0.0 3.12 48 48 A 58 TYR HD% A 58 TYR HA 1.0 0.0 3.52 49 49 A 33 TYR HD% A 33 TYR HA 1.0 0.0 3.15 50 50 A 23 TYR HA A 23 TYR HD% 1.0 0.0 3.25 51 51 A 15 TYR HD% A 24 TYR HA 1.0 0.0 5.39 52 52 A 51 TRP HH2 A 7 TYR HBy 1.0 0.0 4.67 53 53 A 7 TYR HD% A 29 THR HG2% 1.0 0.0 4.34 54 54 A 40 TYR HD% A 31 LEU HBy 1.0 0.0 3.51 55 55 A 40 TYR HD% A 31 LEU HBx 1.0 0.0 3.45 56 56 A 40 TYR HD% A 31 LEU HDx% 1.0 0.0 3.77 57 57 A 50 TYR HD% A 49 LEU HDy% 1.0 0.0 4.68 58 58 A 32 TYR HD% A 23 TYR HBy 1.0 0.0 3.55 59 59 A 32 TYR HD% A 23 TYR HBx 1.0 0.0 2.78 60 60 A 48 TYR HD% A 39 TYR HBy 1.0 0.0 3.25 61 61 A 48 TYR HD% A 39 TYR HBx 1.0 0.0 3.37 62 62 A 41 TYR HD% A 43 SER HA 1.0 0.0 4.66 63 63 A 41 TYR HD% A 32 TYR HBx 1.0 0.0 3.60 64 64 A 41 TYR HD% A 32 TYR HBy 1.0 0.0 4.01 65 65 A 58 TYR HD% A 51 TRP HBx 1.0 0.0 3.87 66 66 A 17 TYR HA A 17 TYR HD% 1.0 0.0 2.93 67 67 A 17 TYR HD% A 19 GLU HA 1.0 0.0 4.83 68 68 A 25 TYR HA A 25 TYR HD% 1.0 0.0 3.17 69 69 A 25 TYR HD% A 27 PRO HA 1.0 0.0 4.68 70 70 A 25 TYR HD% A 27 PRO HBx 1.0 0.0 4.20 71 71 A 24 TYR HBx A 33 TYR HD% 1.0 0.0 3.65 72 72 A 58 TYR HE% A 51 TRP HBx 1.0 0.0 3.69 73 73 A 58 TYR HE% A 10 PRO HGy 1.0 0.0 4.04 74 74 A 58 TYR HE% A 31 LEU HDx% 1.0 0.0 4.39 75 75 A 35 PRO HDy A 24 TYR HE% 1.0 0.0 4.84 76 76 A 35 PRO HDx A 24 TYR HE% 1.0 0.0 4.16 77 77 A 17 TYR HA A 24 TYR HE% 1.0 0.0 4.27 78 78 A 24 TYR HE% A 17 TYR HBx 1.0 0.0 3.41 79 79 A 24 TYR HE% A 17 TYR HBy 1.0 0.0 4.50 80 80 A 24 TYR HE% A 35 PRO HBx 1.0 0.0 4.26 81 81 A 24 TYR HE% A 35 PRO HGy 1.0 0.0 4.11 82 82 A 40 TYR HE% A 26 ASP HBx 1.0 0.0 5.11 83 83 A 10 PRO HGy A 40 TYR HE% 1.0 0.0 4.83 84 84 A 51 TRP HBy A 40 TYR HE% 1.0 0.0 4.11 85 85 A 51 TRP HBx A 40 TYR HE% 1.0 0.0 3.28 86 86 A 40 TYR HE% A 33 TYR HBx 1.0 0.0 3.68 87 87 A 40 TYR HE% A 12 THR HG2% 1.0 0.0 4.71 88 88 A 32 TYR HE% A 43 SER HBy 1.0 0.0 4.76 89 89 A 32 TYR HE% A 43 SER HBx 1.0 0.0 4.76 90 90 A 23 TYR HBx A 32 TYR HE% 1.0 0.0 3.91 91 91 A 32 TYR HE% A 18 ASP HBy 1.0 0.0 4.10 92 92 A 32 TYR HE% A 18 ASP HBx 1.0 0.0 4.10 93 93 A 29 THR HG2% A 7 TYR HE% 1.0 0.0 4.00 94 94 A 61 ALA HA A 50 TYR HE% 1.0 0.0 3.33 95 95 A 50 TYR HE% A 52 ASP HBy 1.0 0.0 4.34 96 96 A 50 TYR HE% A 52 ASP HBx 1.0 0.0 3.58 97 97 A 50 TYR HE% A 59 VAL HB 1.0 0.0 4.32 98 98 A 50 TYR HE% A 61 ALA HB% 1.0 0.0 4.16 99 99 A 39 TYR HBy A 48 TYR HE% 1.0 0.0 4.37 100 100 A 39 TYR HBx A 48 TYR HE% 1.0 0.0 4.59 101 101 A 48 TYR HE% A 41 TYR HBx 1.0 0.0 4.11 102 102 A 48 TYR HE% A 34 ASP HBx 1.0 0.0 4.52 103 103 A 12 THR HB A 15 TYR HE% 1.0 0.0 4.77 104 104 A 33 TYR HBx A 15 TYR HE% 1.0 0.0 3.80 105 105 A 33 TYR HBy A 15 TYR HE% 1.0 0.0 3.69 106 106 A 15 TYR HE% A 12 THR HA 1.0 0.0 4.01 107 107 A 61 ALA HB% A 39 TYR HE% 1.0 0.0 3.68 108 108 A 35 PRO HDx A 23 TYR HE% 1.0 0.0 5.40 109 109 A 23 TYR HE% A 34 ASP HBy 1.0 0.0 4.81 110 110 A 23 TYR HE% A 41 TYR HBy 1.0 0.0 5.50 111 111 A 34 ASP HBx A 23 TYR HE% 1.0 0.0 3.97 112 112 A 17 TYR HE% A 22 GLY HAy 1.0 0.0 3.93 113 113 A 19 GLU HA A 17 TYR HE% 1.0 0.0 3.72 114 114 A 17 TYR HE% A 19 GLU HBy 1.0 0.0 3.77 115 115 A 25 TYR HE% A 27 PRO HA 1.0 0.0 3.37 116 116 A 25 TYR HE% A 30 GLY HAy 1.0 0.0 3.48 117 117 A 40 TYR HE% A 15 TYR HE% 1.0 0.0 3.33 118 118 A 41 TYR HD% A 23 TYR HE% 1.0 0.0 5.18 119 119 A 41 TYR HD% A 48 TYR HE% 1.0 0.0 3.73 120 120 A 41 TYR HE% A 48 TYR HE% 1.0 0.0 3.78 121 121 A 24 TYR HA A 24 TYR HE% 1.0 0.0 4.77 122 122 A 24 TYR HE% A 16 GLN HA 1.0 0.0 5.50 123 123 A 25 TYR HA A 32 TYR HE% 1.0 0.0 4.02 124 124 A 7 TYR HA A 7 TYR HE% 1.0 0.0 4.61 125 125 A 52 ASP HA A 50 TYR HE% 1.0 0.0 3.66 126 126 A 15 TYR HA A 15 TYR HE% 1.0 0.0 4.50 127 127 A 48 TYR HA A 48 TYR HE% 1.0 0.0 4.74 128 128 A 40 TYR HA A 40 TYR HE% 1.0 0.0 4.65 129 129 A 39 TYR HA A 40 TYR HE% 1.0 0.0 5.50 130 130 A 32 TYR HA A 32 TYR HE% 1.0 0.0 4.53 131 131 A 39 TYR HA A 39 TYR HE% 1.0 0.0 4.37 132 132 A 50 TYR HA A 39 TYR HE% 1.0 0.0 4.83 133 133 A 58 TYR HE% A 40 TYR HE% 1.0 0.0 3.81 134 134 A 50 TYR HA A 40 TYR HE% 1.0 0.0 4.16 135 135 A 25 TYR HD% A 32 TYR HE% 1.0 0.0 3.70 136 136 A 33 TYR HD% A 40 TYR HE% 1.0 0.0 3.72 137 137 A 40 TYR HD% A 15 TYR HE% 1.0 0.0 4.75 138 138 A 51 TRP HA A 58 TYR HE% 1.0 0.0 5.08 139 139 A 23 TYR HA A 23 TYR HE% 1.0 0.0 4.53 140 140 A 23 TYR HA A 17 TYR HE% 1.0 0.0 4.56 141 141 A 24 TYR HA A 17 TYR HE% 1.0 0.0 5.50 142 142 A 35 PRO HDy A 23 TYR HE% 1.0 0.0 5.32 143 143 A 25 TYR HE% A 25 TYR HA 1.0 0.0 4.62 144 144 A 25 TYR HE% A 31 LEU HA 1.0 0.0 5.50 145 145 A 41 TYR HBx A 23 TYR HE% 1.0 0.0 5.27 146 146 A 35 PRO HGy A 17 TYR HE% 1.0 0.0 5.04 147 147 A 25 TYR HE% A 27 PRO HBx 1.0 0.0 3.36 148 148 A 35 PRO HBx A 33 TYR HE% 1.0 0.0 3.43 149 149 A 33 TYR HE% A 38 GLN HBy 1.0 0.0 5.50 150 150 A 35 PRO HDx A 33 TYR HE% 1.0 0.0 4.47 151 151 A 33 TYR HE% A 35 PRO HA 1.0 0.0 3.06 152 152 A 33 TYR HE% A 38 GLN HA 1.0 0.0 3.75 153 153 A 41 TYR HE% A 43 SER HA 1.0 0.0 3.67 154 154 A 41 TYR HE% A 46 GLN HA 1.0 0.0 3.12 155 155 A 41 TYR HE% A 32 TYR HBx 1.0 0.0 4.74 156 156 A 41 TYR HE% A 32 TYR HBy 1.0 0.0 5.50 157 157 A 41 TYR HE% A 46 GLN HBy 1.0 0.0 4.46 158 158 A 41 TYR HE% A 46 GLN HBx 1.0 0.0 3.79 159 159 A 48 TYR HA A 41 TYR HE% 1.0 0.0 5.50 160 160 A 41 TYR HE% A 41 TYR HA 1.0 0.0 4.71 161 161 A 33 TYR HD% A 24 TYR HE% 1.0 0.0 4.51 162 162 A 32 TYR HD% A 25 TYR HD% 1.0 0.0 4.19 163 163 A 32 TYR HD% A 41 TYR HD% 1.0 0.0 3.83 164 164 A 58 TYR HD% A 40 TYR HE% 1.0 0.0 4.65 165 165 A 24 TYR HD% A 17 TYR HD% 1.0 0.0 4.07 166 166 A 15 TYR HD% A 33 TYR HD% 1.0 0.0 3.94 167 167 A 41 TYR HD% A 23 TYR HD% 1.0 0.0 4.82 168 168 A 50 TYR HD% A 52 ASP HBy 1.0 0.0 5.27 169 169 A 50 TYR HD% A 52 ASP HBx 1.0 0.0 4.21 170 170 A 50 TYR HD% A 59 VAL HB 1.0 0.0 4.82 171 171 A 24 TYR HD% A 35 PRO HGy 1.0 0.0 4.46 172 172 A 58 TYR HD% A 49 LEU HBy 1.0 0.0 4.27 173 173 A 58 TYR HD% A 49 LEU HBx 1.0 0.0 4.38 174 174 A 58 TYR HD% A 10 PRO HGy 1.0 0.0 5.50 175 175 A 58 TYR HD% A 29 THR HG2% 1.0 0.0 5.50 176 176 A 58 TYR HD% A 49 LEU HDy% 1.0 0.0 4.92 177 177 A 51 TRP HA A 58 TYR HD% 1.0 0.0 4.03 178 178 A 57 THR HA A 58 TYR HD% 1.0 0.0 4.64 179 179 A 33 TYR HD% A 35 PRO HDx 1.0 0.0 4.32 180 180 A 25 TYR HD% A 30 GLY HAy 1.0 0.0 5.34 181 181 A 58 TYR HD% A 31 LEU HDx% 1.0 0.0 4.31 182 182 A 25 TYR HD% A 16 GLN HBx 1.0 0.0 3.86 183 183 A 41 TYR HD% A 46 GLN HA 1.0 0.0 4.25 184 184 A 33 TYR HD% A 35 PRO HA 1.0 0.0 4.55 185 185 A 33 TYR HD% A 38 GLN HA 1.0 0.0 4.90 186 186 A 17 TYR HD% A 24 TYR HE% 1.0 0.0 3.63 187 187 A 32 TYR HD% A 41 TYR HBy 1.0 0.0 4.40 188 188 A 32 TYR HD% A 41 TYR HBx 1.0 0.0 5.50 189 189 A 33 TYR HD% A 24 TYR HBy 1.0 0.0 3.96 190 190 A 33 TYR HD% A 35 PRO HGx 1.0 0.0 5.03 191 191 A 15 TYR HE% A 26 ASP HA 1.0 0.0 4.22 192 192 A 33 TYR HD% A 15 TYR HE% 1.0 0.0 3.76 193 193 A 15 TYR HE% A 27 PRO HDx 1.0 0.0 5.21 194 194 A 15 TYR HE% A 10 PRO HA 1.0 0.0 5.45 195 195 A 24 TYR HBx A 15 TYR HE% 1.0 0.0 5.28 196 196 A 24 TYR HE% A 17 TYR HE% 1.0 0.0 4.21 197 197 A 24 TYR HD% A 17 TYR HE% 1.0 0.0 4.93 198 198 A 23 TYR HE% A 34 ASP HA 1.0 0.0 4.22 199 199 A 24 TYR HE% A 12 THR HB 1.0 0.0 5.30 200 200 A 12 THR HG2% A 33 TYR HE% 1.0 0.0 3.86 201 201 A 32 TYR HD% A 31 LEU HDy% 1.0 0.0 5.27 202 202 A 23 TYR HBy A 32 TYR HE% 1.0 0.0 4.91 203 203 A 33 TYR HD% A 12 THR HG2% 1.0 0.0 4.34 204 204 A 40 TYR HD% A 31 LEU HDy% 1.0 0.0 4.97 205 205 A 31 LEU HDx% A 40 TYR HE% 1.0 0.0 5.09 206 206 A 31 LEU HBx A 40 TYR HE% 1.0 0.0 5.18 207 207 A 32 TYR HD% A 41 TYR HE% 1.0 0.0 4.66 208 208 A 41 TYR HE% A 47 GLN HA 1.0 0.0 4.35 209 209 A 48 TYR HD% A 47 GLN HA 1.0 0.0 3.79 210 210 A 48 TYR HD% A 41 TYR HBx 1.0 0.0 4.37 211 211 A 57 THR HA A 51 TRP HZ3 1.0 0.0 4.06 212 212 A 51 TRP HZ3 A 7 TYR HBy 1.0 0.0 4.66 213 213 A 51 TRP HZ3 A 58 TYR HE% 1.0 0.0 4.45 214 214 A 40 TYR HD% A 49 LEU HBx 1.0 0.0 3.99 215 215 A 17 TYR HD% A 19 GLU HBy 1.0 0.0 4.44 216 216 A 24 TYR HE% A 15 TYR HBy 1.0 0.0 4.51 217 217 A 40 TYR HE% A 26 ASP HBy 1.0 0.0 5.11 218 218 A 33 TYR HBy A 40 TYR HE% 1.0 0.0 5.14 219 219 A 24 TYR HE% A 33 TYR HE% 1.0 0.0 4.96 220 220 A 51 TRP HD1 A 52 ASP HA 1.0 0.0 5.21 221 221 A 51 TRP HD1 A 9 VAL HA 1.0 0.0 4.54 222 222 A 51 TRP HD1 A 10 PRO HDx 1.0 0.0 5.50 223 223 A 51 TRP HD1 A 10 PRO HDy 1.0 0.0 5.50 224 224 A 51 TRP HD1 A 9 VAL HGy% 1.0 0.0 5.50 225 225 A 50 TYR HD% A 61 ALA HB% 1.0 0.0 3.67 226 226 A 48 TYR HE% A 34 ASP HBy 1.0 0.0 4.70 227 227 A 58 TYR HE% A 51 TRP HE3 1.0 0.0 5.30 228 228 A 35 PRO HDy A 23 TYR HD% 1.0 0.0 4.69 229 229 A 15 TYR HD% A 26 ASP HA 1.0 0.0 4.04 230 230 A 15 TYR HD% A 27 PRO HDx 1.0 0.0 4.63 231 231 A 15 TYR HD% A 12 THR HB 1.0 0.0 5.10 232 232 A 15 TYR HD% A 33 TYR HBx 1.0 0.0 4.69 233 233 A 61 ALA HA A 39 TYR HE% 1.0 0.0 5.23 234 234 A 39 TYR HE% A 37 SER HA 1.0 0.0 5.50 235 235 A 31 LEU HDx% A 40 TYR HBy 1.0 0.0 4.26 236 236 A 31 LEU HDx% A 26 ASP HBx 1.0 0.0 5.43 237 237 A 29 THR HG2% A 31 LEU HDx% 1.0 0.0 4.78 238 238 A 54 GLU HA A 54 GLU HGy 1.0 0.0 4.00 239 239 A 38 GLN HA A 38 GLN HGx 1.0 0.0 3.56 240 240 A 38 GLN HA A 38 GLN HGy 1.0 0.0 3.86 241 241 A 49 LEU HDy% A 60 PRO HA 1.0 0.0 3.27 242 242 A 49 LEU HDy% A 59 VAL HA 1.0 0.0 4.35 243 243 A 44 LEU HA A 44 LEU HDx% 1.0 0.0 3.46 244 244 A 31 LEU HDy% A 42 ASN HA 1.0 0.0 3.21 245 245 A 31 LEU HA A 31 LEU HDy% 1.0 0.0 3.04 246 246 A 14 THR HA A 14 THR HG2% 1.0 0.0 3.31 247 247 A 5 THR HA A 5 THR HG2% 1.0 0.0 3.06 248 248 A 45 THR HA A 45 THR HG2% 1.0 0.0 2.92 249 249 A 48 TYR HA A 41 TYR HA 1.0 0.0 3.35 250 250 A 35 PRO HA A 38 GLN HA 1.0 0.0 4.06 251 251 A 49 LEU HDx% A 42 ASN HBy 1.0 0.0 4.22 252 252 A 49 LEU HDx% A 58 TYR HBy 1.0 0.0 3.81 253 253 A 49 LEU HDx% A 58 TYR HBx 1.0 0.0 3.88 254 254 A 49 LEU HDx% A 42 ASN HBx 1.0 0.0 4.22 255 255 A 49 LEU HBy A 49 LEU HDx% 1.0 0.0 3.61 256 256 A 49 LEU HBx A 49 LEU HDx% 1.0 0.0 3.13 257 257 A 49 LEU HDy% A 58 TYR HBx 1.0 0.0 3.73 258 258 A 49 LEU HDy% A 49 LEU HBy 1.0 0.0 3.44 259 259 A 31 LEU HBy A 31 LEU HDy% 1.0 0.0 3.97 260 260 A 31 LEU HBx A 31 LEU HDy% 1.0 0.0 3.51 261 261 A 33 TYR HA A 40 TYR HA 1.0 0.0 3.17 262 262 A 24 TYR HA A 17 TYR HA 1.0 0.0 3.25 263 263 A 51 TRP HA A 58 TYR HA 1.0 0.0 3.53 264 264 A 15 TYR HA A 27 PRO HDx 1.0 0.0 3.58 265 265 A 35 PRO HDy A 34 ASP HA 1.0 0.0 3.10 266 266 A 35 PRO HDx A 34 ASP HA 1.0 0.0 3.19 267 267 A 32 TYR HA A 25 TYR HA 1.0 0.0 3.20 268 268 A 15 TYR HA A 26 ASP HA 1.0 0.0 3.95 269 269 A 49 LEU HA A 60 PRO HA 1.0 0.0 3.62 270 270 A 59 VAL HA A 60 PRO HDy 1.0 0.0 3.00 271 271 A 59 VAL HA A 60 PRO HDx 1.0 0.0 3.26 272 272 A 26 ASP HA A 27 PRO HDx 1.0 0.0 2.73 273 273 A 9 VAL HA A 10 PRO HDx 1.0 0.0 3.88 274 274 A 54 GLU HA A 54 GLU HGx 1.0 0.0 4.00 275 275 A 49 LEU HA A 49 LEU HG 1.0 0.0 3.88 276 276 A 49 LEU HBx A 40 TYR HBx 1.0 0.0 3.79 277 277 A 31 LEU HBx A 40 TYR HBx 1.0 0.0 3.68 278 278 A 49 LEU HBx A 40 TYR HBy 1.0 0.0 3.61 279 279 A 32 TYR HBx A 41 TYR HBx 1.0 0.0 3.95 280 280 A 12 THR HG2% A 11 ASP HA 1.0 0.0 3.98 281 281 A 23 TYR HA A 35 PRO HDx 1.0 0.0 4.19 282 282 A 49 LEU HDy% A 60 PRO HDx 1.0 0.0 4.35 283 283 A 9 VAL HA A 10 PRO HDy 1.0 0.0 3.88 284 284 A 23 TYR HA A 34 ASP HA 1.0 0.0 4.27 285 285 A 24 TYR HBx A 33 TYR HBx 1.0 0.0 4.16 286 286 A 5 THR HA A 5 THR HB 1.0 0.0 2.95 287 287 A 58 TYR HE% A 29 THR HG2% 1.0 0.0 3.78 288 288 A 58 TYR HE% A 7 TYR HBy 1.0 0.0 4.87 289 289 A 51 TRP HBx A 10 PRO HGy 1.0 0.0 5.22 290 290 A 48 TYR HA A 49 LEU HDx% 1.0 0.0 4.65 291 291 A 41 TYR HA A 49 LEU HDx% 1.0 0.0 4.70 292 292 A 58 TYR HA A 49 LEU HDx% 1.0 0.0 5.50 293 293 A 42 ASN HA A 49 LEU HDx% 1.0 0.0 4.76 294 294 A 60 PRO HA A 49 LEU HDx% 1.0 0.0 5.24 295 295 A 59 VAL HA A 49 LEU HDx% 1.0 0.0 5.50 296 296 A 49 LEU HDx% A 40 TYR HBx 1.0 0.0 4.49 297 297 A 40 TYR HBy A 49 LEU HDx% 1.0 0.0 4.24 298 298 A 49 LEU HDx% A 47 GLN HBy 1.0 0.0 5.06 299 299 A 51 TRP HBy A 10 PRO HGx 1.0 0.0 5.34 300 300 A 51 TRP HBx A 10 PRO HGx 1.0 0.0 4.82 301 301 A 49 LEU HDx% A 47 GLN HBx 1.0 0.0 5.50 302 302 A 26 ASP HA A 15 TYR HBx 1.0 0.0 5.43 303 303 A 27 PRO HDx A 15 TYR HBx 1.0 0.0 4.54 304 304 A 12 THR HB A 15 TYR HBx 1.0 0.0 5.50 305 305 A 16 GLN HA A 15 TYR HBx 1.0 0.0 5.50 306 306 A 16 GLN HA A 15 TYR HBy 1.0 0.0 5.50 307 307 A 16 GLN HBx A 25 TYR HBy 1.0 0.0 3.55 308 308 A 25 TYR HBy A 16 GLN HBy 1.0 0.0 4.05 309 309 A 17 TYR HA A 24 TYR HBy 1.0 0.0 5.26 310 310 A 19 GLU HA A 18 ASP HA 1.0 0.0 5.50 311 311 A 23 TYR HA A 35 PRO HDy 1.0 0.0 4.43 312 312 A 23 TYR HA A 17 TYR HA 1.0 0.0 5.50 313 313 A 23 TYR HA A 22 GLY HAy 1.0 0.0 5.50 314 314 A 23 TYR HA A 22 GLY HAx 1.0 0.0 5.43 315 315 A 23 TYR HA A 35 PRO HGx 1.0 0.0 5.50 316 316 A 39 TYR HBy A 48 TYR HBy 1.0 0.0 3.98 317 317 A 49 LEU HA A 39 TYR HBy 1.0 0.0 5.50 318 318 A 24 TYR HA A 17 TYR HBx 1.0 0.0 5.14 319 319 A 24 TYR HA A 25 TYR HBy 1.0 0.0 5.50 320 320 A 24 TYR HA A 17 TYR HBy 1.0 0.0 5.39 321 321 A 24 TYR HA A 15 TYR HBx 1.0 0.0 5.15 322 322 A 33 TYR HBy A 24 TYR HBy 1.0 0.0 4.14 323 323 A 27 PRO HDx A 26 ASP HBy 1.0 0.0 4.93 324 324 A 16 GLN HBx A 27 PRO HDx 1.0 0.0 5.30 325 325 A 26 ASP HA A 27 PRO HGy 1.0 0.0 4.76 326 326 A 15 TYR HA A 27 PRO HGy 1.0 0.0 5.19 327 327 A 31 LEU HBx A 29 THR HB 1.0 0.0 5.24 328 328 A 31 LEU HA A 42 ASN HA 1.0 0.0 3.99 329 329 A 31 LEU HBx A 40 TYR HBy 1.0 0.0 4.84 330 330 A 40 TYR HA A 31 LEU HBx 1.0 0.0 5.43 331 331 A 31 LEU HBx A 42 ASN HA 1.0 0.0 5.50 332 332 A 31 LEU HBx A 49 LEU HDx% 1.0 0.0 5.50 333 333 A 31 LEU HBy A 49 LEU HDx% 1.0 0.0 5.50 334 334 A 31 LEU HBy A 31 LEU HDx% 1.0 0.0 3.01 335 335 A 31 LEU HBy A 40 TYR HBy 1.0 0.0 5.50 336 336 A 40 TYR HA A 31 LEU HBy 1.0 0.0 5.50 337 337 A 31 LEU HBy A 42 ASN HA 1.0 0.0 5.50 338 338 A 31 LEU HBx A 31 LEU HDx% 1.0 0.0 3.16 339 339 A 40 TYR HA A 31 LEU HDx% 1.0 0.0 5.50 340 340 A 31 LEU HA A 31 LEU HDx% 1.0 0.0 4.68 341 341 A 31 LEU HDx% A 29 THR HA 1.0 0.0 5.50 342 342 A 31 LEU HDx% A 42 ASN HA 1.0 0.0 5.50 343 343 A 31 LEU HDx% A 58 TYR HBy 1.0 0.0 5.13 344 344 A 31 LEU HDx% A 26 ASP HBy 1.0 0.0 5.43 345 345 A 31 LEU HDx% A 58 TYR HBx 1.0 0.0 5.29 346 346 A 29 THR HA A 31 LEU HG 1.0 0.0 5.49 347 347 A 51 TRP HBy A 10 PRO HGy 1.0 0.0 5.50 348 348 A 32 TYR HA A 23 TYR HBy 1.0 0.0 4.95 349 349 A 32 TYR HA A 33 TYR HBx 1.0 0.0 5.50 350 350 A 32 TYR HA A 41 TYR HBy 1.0 0.0 5.50 351 351 A 32 TYR HA A 26 ASP HBy 1.0 0.0 5.50 352 352 A 40 TYR HA A 41 TYR HBx 1.0 0.0 5.22 353 353 A 33 TYR HBy A 40 TYR HA 1.0 0.0 5.33 354 354 A 32 TYR HBy A 41 TYR HBx 1.0 0.0 4.34 355 355 A 33 TYR HA A 34 ASP HBy 1.0 0.0 5.16 356 356 A 33 TYR HA A 40 TYR HBx 1.0 0.0 5.50 357 357 A 33 TYR HA A 40 TYR HBy 1.0 0.0 5.23 358 358 A 33 TYR HA A 23 TYR HBy 1.0 0.0 5.50 359 359 A 24 TYR HBx A 33 TYR HA 1.0 0.0 5.50 360 360 A 33 TYR HA A 32 TYR HBx 1.0 0.0 5.50 361 361 A 33 TYR HA A 32 TYR HBy 1.0 0.0 5.50 362 362 A 33 TYR HBy A 24 TYR HA 1.0 0.0 5.50 363 363 A 33 TYR HBy A 32 TYR HA 1.0 0.0 5.48 364 364 A 48 TYR HA A 41 TYR HBx 1.0 0.0 5.50 365 365 A 23 TYR HBy A 41 TYR HBy 1.0 0.0 5.50 366 366 A 23 TYR HBx A 34 ASP HA 1.0 0.0 5.50 367 367 A 23 TYR HBy A 34 ASP HA 1.0 0.0 5.30 368 368 A 35 PRO HGy A 34 ASP HA 1.0 0.0 4.22 369 369 A 23 TYR HBy A 34 ASP HBx 1.0 0.0 5.50 370 370 A 34 ASP HBx A 37 SER HBy 1.0 0.0 5.50 371 371 A 34 ASP HBx A 37 SER HBx 1.0 0.0 5.50 372 372 A 23 TYR HA A 34 ASP HBx 1.0 0.0 5.50 373 373 A 35 PRO HA A 38 GLN HGx 1.0 0.0 4.55 374 374 A 59 VAL HA A 60 PRO HBy 1.0 0.0 5.45 375 375 A 35 PRO HBx A 34 ASP HA 1.0 0.0 5.50 376 376 A 59 VAL HB A 60 PRO HDy 1.0 0.0 4.30 377 377 A 23 TYR HA A 35 PRO HGy 1.0 0.0 5.33 378 378 A 50 TYR HA A 39 TYR HA 1.0 0.0 4.24 379 379 A 39 TYR HA A 48 TYR HBy 1.0 0.0 5.50 380 380 A 39 TYR HA A 34 ASP HBy 1.0 0.0 5.50 381 381 A 39 TYR HA A 38 GLN HA 1.0 0.0 5.50 382 382 A 40 TYR HA A 39 TYR HBx 1.0 0.0 5.50 383 383 A 41 TYR HA A 49 LEU HG 1.0 0.0 5.29 384 384 A 41 TYR HA A 32 TYR HBx 1.0 0.0 5.50 385 385 A 41 TYR HA A 40 TYR HBy 1.0 0.0 5.50 386 386 A 41 TYR HA A 48 TYR HBx 1.0 0.0 5.49 387 387 A 41 TYR HA A 40 TYR HBx 1.0 0.0 5.50 388 388 A 43 SER HA A 46 GLN HGy 1.0 0.0 4.96 389 389 A 43 SER HA A 46 GLN HGx 1.0 0.0 4.93 390 390 A 45 THR HA A 44 LEU HBx 1.0 0.0 5.41 391 391 A 45 THR HA A 44 LEU HG 1.0 0.0 5.50 392 392 A 46 GLN HBy A 45 THR HA 1.0 0.0 5.50 393 393 A 45 THR HA A 46 GLN HGx 1.0 0.0 5.47 394 394 A 45 THR HA A 47 GLN HBx 1.0 0.0 5.50 395 395 A 45 THR HB A 42 ASN HBy 1.0 0.0 5.50 396 396 A 47 GLN HBy A 45 THR HB 1.0 0.0 5.05 397 397 A 35 PRO HA A 38 GLN HGy 1.0 0.0 5.09 398 398 A 47 GLN HBx A 45 THR HB 1.0 0.0 4.40 399 399 A 48 TYR HA A 39 TYR HBx 1.0 0.0 5.50 400 400 A 39 TYR HBx A 48 TYR HBy 1.0 0.0 4.48 401 401 A 41 TYR HA A 48 TYR HBy 1.0 0.0 5.21 402 402 A 39 TYR HBy A 48 TYR HBx 1.0 0.0 4.79 403 403 A 49 LEU HBy A 58 TYR HBy 1.0 0.0 3.89 404 404 A 49 LEU HBy A 58 TYR HBx 1.0 0.0 3.85 405 405 A 49 LEU HBx A 58 TYR HBy 1.0 0.0 4.52 406 406 A 49 LEU HBy A 40 TYR HBx 1.0 0.0 5.05 407 407 A 58 TYR HA A 49 LEU HBy 1.0 0.0 5.20 408 408 A 49 LEU HBy A 60 PRO HA 1.0 0.0 4.96 409 409 A 58 TYR HA A 49 LEU HBx 1.0 0.0 5.50 410 410 A 49 LEU HBx A 60 PRO HA 1.0 0.0 5.50 411 411 A 50 TYR HA A 49 LEU HBy 1.0 0.0 5.50 412 412 A 50 TYR HA A 49 LEU HBx 1.0 0.0 5.50 413 413 A 49 LEU HDy% A 60 PRO HBx 1.0 0.0 4.76 414 414 A 49 LEU HDy% A 47 GLN HBy 1.0 0.0 5.15 415 415 A 60 PRO HA A 49 LEU HG 1.0 0.0 4.21 416 416 A 48 TYR HA A 49 LEU HG 1.0 0.0 5.15 417 417 A 58 TYR HBy A 49 LEU HG 1.0 0.0 5.50 418 418 A 58 TYR HBx A 49 LEU HG 1.0 0.0 5.11 419 419 A 49 LEU HG A 40 TYR HBx 1.0 0.0 5.50 420 420 A 40 TYR HBy A 49 LEU HG 1.0 0.0 5.02 421 421 A 50 TYR HA A 51 TRP HBx 1.0 0.0 5.50 422 422 A 50 TYR HA A 40 TYR HBy 1.0 0.0 5.50 423 423 A 39 TYR HA A 50 TYR HBy 1.0 0.0 5.50 424 424 A 39 TYR HA A 50 TYR HBx 1.0 0.0 5.50 425 425 A 61 ALA HB% A 50 TYR HBx 1.0 0.0 5.50 426 426 A 61 ALA HB% A 50 TYR HBy 1.0 0.0 5.50 427 427 A 51 TRP HA A 51 TRP HE3 1.0 0.0 4.07 428 428 A 51 TRP HBy A 58 TYR HE% 1.0 0.0 5.50 429 429 A 58 TYR HA A 51 TRP HBx 1.0 0.0 4.54 430 430 A 51 TRP HBy A 58 TYR HA 1.0 0.0 5.50 431 431 A 55 LYS HA A 55 LYS HDy 1.0 0.0 4.70 432 432 A 55 LYS HA A 57 THR HG2% 1.0 0.0 5.16 433 433 A 52 ASP HBx A 55 LYS HBy 1.0 0.0 4.58 434 434 A 57 THR HG2% A 55 LYS HBx 1.0 0.0 3.58 435 435 A 52 ASP HBy A 55 LYS HGx 1.0 0.0 4.93 436 436 A 52 ASP HBy A 55 LYS HGy 1.0 0.0 4.93 437 437 A 56 GLU HA A 56 GLU HGy 1.0 0.0 4.06 438 438 A 56 GLU HA A 56 GLU HGx 1.0 0.0 4.06 439 439 A 55 LYS HBx A 57 THR HB 1.0 0.0 5.17 440 440 A 58 TYR HA A 57 THR HG2% 1.0 0.0 5.14 441 441 A 58 TYR HA A 51 TRP HE3 1.0 0.0 4.60 442 442 A 51 TRP HA A 58 TYR HBx 1.0 0.0 5.47 443 443 A 49 LEU HA A 58 TYR HBx 1.0 0.0 5.50 444 444 A 51 TRP HA A 58 TYR HBy 1.0 0.0 5.50 445 445 A 59 VAL HA A 60 PRO HGx 1.0 0.0 4.68 446 446 A 59 VAL HA A 60 PRO HGy 1.0 0.0 4.68 447 447 A 49 LEU HBy A 59 VAL HA 1.0 0.0 5.50 448 448 A 59 VAL HA A 58 TYR HBy 1.0 0.0 5.50 449 449 A 59 VAL HA A 58 TYR HBx 1.0 0.0 5.47 450 450 A 52 ASP HBy A 59 VAL HB 1.0 0.0 5.50 451 451 A 52 ASP HBy A 55 LYS HBx 1.0 0.0 4.76 452 452 A 35 PRO HBy A 36 ASN HA 1.0 0.0 5.41 453 453 A 48 TYR HA A 61 ALA HB% 1.0 0.0 5.50 454 454 A 39 TYR HA A 61 ALA HB% 1.0 0.0 5.50 455 455 A 61 ALA HB% A 60 PRO HA 1.0 0.0 5.13 456 456 A 15 TYR HBy A 13 SER HA 1.0 0.0 5.50 457 457 A 12 THR HB A 15 TYR HBy 1.0 0.0 5.11 458 458 A 17 TYR HA A 15 TYR HBx 1.0 0.0 5.50 459 459 A 17 TYR HA A 15 TYR HBy 1.0 0.0 5.50 460 460 A 27 PRO HDx A 15 TYR HBy 1.0 0.0 5.50 461 461 A 17 TYR HBx A 16 GLN HA 1.0 0.0 5.50 462 462 A 17 TYR HBy A 16 GLN HA 1.0 0.0 5.50 463 463 A 39 TYR HA A 38 GLN HBx 1.0 0.0 5.50 464 464 A 10 PRO HA A 11 ASP HA 1.0 0.0 5.05 465 465 A 9 VAL HA A 8 ALA HB% 1.0 0.0 5.22 466 466 A 9 VAL HA A 10 PRO HGx 1.0 0.0 5.24 467 467 A 9 VAL HA A 10 PRO HGy 1.0 0.0 4.83 468 468 A 24 TYR HBx A 17 TYR HA 1.0 0.0 5.50 469 469 A 31 LEU HDx% A 49 LEU HDx% 1.0 0.0 3.14 470 470 A 31 LEU HDy% A 40 TYR HBx 1.0 0.0 4.44 471 471 A 31 LEU HDy% A 40 TYR HBy 1.0 0.0 5.44 472 472 A 57 THR HG2% A 55 LYS HBy 1.0 0.0 4.00 473 473 A 12 THR HG2% A 10 PRO HA 1.0 0.0 5.50 474 474 A 11 ASP HA A 10 PRO HGx 1.0 0.0 5.50 475 475 A 14 THR HG2% A 11 ASP HA 1.0 0.0 5.50 476 476 A 52 ASP HBx A 59 VAL HB 1.0 0.0 5.50 477 477 A 52 ASP HBx A 57 THR HG2% 1.0 0.0 5.50 478 478 A 29 THR HB A 31 LEU HG 1.0 0.0 3.36 479 479 A 31 LEU HDy% A 29 THR HB 1.0 0.0 4.76 480 480 A 31 LEU HDx% A 29 THR HB 1.0 0.0 3.78 481 481 A 57 THR HG2% A 58 TYR H 1.0 0.0 3.86 482 482 A 57 THR HG2% A 57 THR H 1.0 0.0 3.82 483 483 A 49 LEU HA A 61 ALA HB% 1.0 0.0 4.24 484 484 A 57 THR HA A 57 THR HG2% 1.0 0.0 3.81 485 485 A 52 ASP HBy A 57 THR HG2% 1.0 0.0 4.29 486 486 A 12 THR HG2% A 12 THR H 1.0 0.0 3.22 487 487 A 9 VAL HGx% A 51 TRP HZ2 1.0 0.0 3.64 488 488 A 15 TYR HD% A 12 THR HG2% 1.0 0.0 3.55 489 489 A 12 THR HG2% A 15 TYR HE% 1.0 0.0 3.43 490 490 A 33 TYR HBy A 12 THR HG2% 1.0 0.0 3.53 491 491 A 9 VAL HA A 9 VAL HGy% 1.0 0.0 3.26 492 492 A 9 VAL HA A 9 VAL HGx% 1.0 0.0 3.34 493 493 A 28 THR HA A 28 THR HG2% 1.0 0.0 3.05 494 494 A 28 THR HG2% A 28 THR H 1.0 0.0 3.65 495 495 A 31 LEU HDy% A 42 ASN HD2x 1.0 0.0 3.75 496 496 A 28 THR HG2% A 29 THR H 1.0 0.0 4.26 497 497 A 14 THR HG2% A 14 THR H 1.0 0.0 3.29 498 498 A 29 THR HG2% A 29 THR H 1.0 0.0 3.86 499 499 A 31 LEU HDx% A 40 TYR HBx 1.0 0.0 3.69 500 500 A 49 LEU HA A 49 LEU HDy% 1.0 0.0 3.44 501 501 A 58 TYR HA A 49 LEU HDy% 1.0 0.0 4.35 502 502 A 44 LEU HA A 44 LEU HDy% 1.0 0.0 3.96 503 503 A 49 LEU HDy% A 60 PRO HDy 1.0 0.0 3.78 504 504 A 49 LEU HDy% A 58 TYR HBy 1.0 0.0 3.52 505 505 A 49 LEU HDy% A 60 PRO HBy 1.0 0.0 3.67 506 506 A 49 LEU HDy% A 61 ALA H 1.0 0.0 3.99 507 507 A 55 LYS HA A 55 LYS HGy 1.0 0.0 3.87 508 508 A 55 LYS HA A 55 LYS HGx 1.0 0.0 3.87 509 509 A 27 PRO HGy A 16 GLN H 1.0 0.0 4.96 510 510 A 35 PRO HGy A 36 ASN H 1.0 0.0 3.76 511 511 A 25 TYR HE% A 27 PRO HGy 1.0 0.0 4.06 512 512 A 25 TYR HD% A 27 PRO HGy 1.0 0.0 3.84 513 513 A 49 LEU HDx% A 49 LEU H 1.0 0.0 4.08 514 514 A 49 LEU HDx% A 48 TYR H 1.0 0.0 5.24 515 515 A 49 LEU HDx% A 42 ASN HD2x 1.0 0.0 4.05 516 516 A 58 TYR HD% A 49 LEU HDx% 1.0 0.0 4.59 517 517 A 49 LEU HA A 49 LEU HDx% 1.0 0.0 3.93 518 518 A 31 LEU HG A 32 TYR H 1.0 0.0 4.81 519 519 A 44 LEU HG A 44 LEU H 1.0 0.0 4.41 520 520 A 44 LEU HA A 44 LEU HG 1.0 0.0 3.81 521 521 A 40 TYR HE% A 10 PRO HGx 1.0 0.0 4.49 522 522 A 31 LEU HA A 31 LEU HG 1.0 0.0 3.95 523 523 A 49 LEU HG A 49 LEU H 1.0 0.0 4.28 524 524 A 49 LEU HG A 50 TYR H 1.0 0.0 4.79 525 525 A 49 LEU HG A 48 TYR H 1.0 0.0 5.10 526 526 A 49 LEU HDx% A 60 PRO HDy 1.0 0.0 5.11 527 527 A 55 LYS H A 55 LYS HDy 1.0 0.0 5.48 528 528 A 55 LYS HA A 55 LYS HDx 1.0 0.0 4.70 529 529 A 55 LYS H A 55 LYS HDx 1.0 0.0 5.48 530 530 A 19 GLU HBy A 18 ASP HA 1.0 0.0 4.68 531 531 A 60 PRO HBy A 61 ALA H 1.0 0.0 4.19 532 532 A 60 PRO HBx A 61 ALA H 1.0 0.0 3.99 533 533 A 60 PRO HBx A 62 ALA H 1.0 0.0 4.60 534 534 A 11 ASP H A 10 PRO HBx 1.0 0.0 3.99 535 535 A 28 THR H A 27 PRO HBy 1.0 0.0 4.17 536 536 A 27 PRO HBy A 16 GLN HE2y 1.0 0.0 5.50 537 537 A 24 TYR HD% A 35 PRO HBx 1.0 0.0 4.92 538 538 A 51 TRP HZ2 A 9 VAL HB 1.0 0.0 5.50 539 539 A 24 TYR HE% A 35 PRO HBy 1.0 0.0 4.91 540 540 A 27 PRO HBy A 16 GLN HE2x 1.0 0.0 5.50 541 541 A 40 TYR HE% A 10 PRO HBx 1.0 0.0 4.93 542 542 A 51 TRP HD1 A 9 VAL HB 1.0 0.0 5.36 543 543 A 40 TYR HE% A 10 PRO HBy 1.0 0.0 4.93 544 544 A 25 TYR HE% A 27 PRO HBy 1.0 0.0 4.13 545 545 A 25 TYR HE% A 16 GLN HBx 1.0 0.0 5.12 546 546 A 33 TYR HE% A 35 PRO HBy 1.0 0.0 4.77 547 547 A 15 TYR HE% A 10 PRO HBx 1.0 0.0 5.11 548 548 A 15 TYR HE% A 10 PRO HBy 1.0 0.0 5.11 549 549 A 25 TYR HD% A 27 PRO HBy 1.0 0.0 5.45 550 550 A 33 TYR HD% A 35 PRO HBx 1.0 0.0 4.46 551 551 A 33 TYR HD% A 35 PRO HBy 1.0 0.0 5.50 552 552 A 49 LEU HA A 60 PRO HBy 1.0 0.0 4.69 553 553 A 59 VAL HB A 50 TYR H 1.0 0.0 5.05 554 554 A 6 LYS H A 6 LYS HBy 1.0 0.0 3.81 555 555 A 6 LYS H A 6 LYS HBx 1.0 0.0 3.81 556 556 A 55 LYS HBy A 54 GLU H 1.0 0.0 5.50 557 557 A 55 LYS HBx A 55 LYS H 1.0 0.0 3.91 558 558 A 47 GLN HBx A 42 ASN HD2y 1.0 0.0 5.50 559 559 A 48 TYR HD% A 47 GLN HBx 1.0 0.0 5.50 560 560 A 55 LYS HBx A 57 THR H 1.0 0.0 4.81 561 561 A 55 LYS HBy A 57 THR H 1.0 0.0 4.97 562 562 A 59 VAL HB A 60 PRO HDx 1.0 0.0 3.72 563 563 A 46 GLN HA A 46 GLN HGy 1.0 0.0 3.08 564 564 A 46 GLN HA A 46 GLN HGx 1.0 0.0 3.12 565 565 A 33 TYR HE% A 38 GLN HGx 1.0 0.0 5.49 566 566 A 33 TYR HE% A 38 GLN HGy 1.0 0.0 4.55 567 567 A 41 TYR HE% A 46 GLN HGy 1.0 0.0 5.24 568 568 A 41 TYR HE% A 46 GLN HGx 1.0 0.0 4.49 569 569 A 46 GLN HGx A 47 GLN H 1.0 0.0 5.50 570 570 A 38 GLN HGx A 38 GLN H 1.0 0.0 4.15 571 571 A 46 GLN HGx A 46 GLN H 1.0 0.0 3.90 572 572 A 38 GLN HGx A 37 SER H 1.0 0.0 5.26 573 573 A 54 GLU H A 54 GLU HGy 1.0 0.0 4.77 574 574 A 54 GLU H A 54 GLU HGx 1.0 0.0 4.77 575 575 A 15 TYR HBy A 25 TYR H 1.0 0.0 5.50 576 576 A 24 TYR HD% A 15 TYR HBy 1.0 0.0 3.99 577 577 A 24 TYR HA A 15 TYR HBy 1.0 0.0 5.00 578 578 A 37 SER H A 36 ASN HBx 1.0 0.0 3.63 579 579 A 45 THR HB A 42 ASN HBx 1.0 0.0 5.50 580 580 A 42 ASN HD2x A 42 ASN HBy 1.0 0.0 3.82 581 581 A 48 TYR HBy A 48 TYR H 1.0 0.0 3.68 582 582 A 48 TYR HBx A 49 LEU H 1.0 0.0 4.09 583 583 A 58 TYR HBy A 50 TYR H 1.0 0.0 5.14 584 584 A 58 TYR HBx A 58 TYR H 1.0 0.0 3.68 585 585 A 44 LEU HBx A 43 SER H 1.0 0.0 5.50 586 586 A 46 GLN H A 44 LEU HBy 1.0 0.0 5.50 587 587 A 44 LEU HBy A 45 THR H 1.0 0.0 4.10 588 588 A 26 ASP H A 26 ASP HBx 1.0 0.0 3.78 589 589 A 29 THR H A 26 ASP HBx 1.0 0.0 5.10 590 590 A 32 TYR HA A 26 ASP HBx 1.0 0.0 5.50 591 591 A 27 PRO HDx A 26 ASP HBx 1.0 0.0 4.93 592 592 A 33 TYR HBx A 33 TYR H 1.0 0.0 3.87 593 593 A 33 TYR HBx A 24 TYR H 1.0 0.0 5.41 594 594 A 19 GLU H A 18 ASP HBx 1.0 0.0 4.77 595 595 A 18 ASP H A 18 ASP HBx 1.0 0.0 3.56 596 596 A 51 TRP H A 50 TYR HBx 1.0 0.0 4.36 597 597 A 51 TRP H A 50 TYR HBy 1.0 0.0 4.36 598 598 A 34 ASP HBx A 34 ASP H 1.0 0.0 3.38 599 599 A 31 LEU HBx A 31 LEU H 1.0 0.0 3.86 600 600 A 31 LEU HBy A 40 TYR HE% 1.0 0.0 4.96 601 601 A 32 TYR HA A 31 LEU HBy 1.0 0.0 4.64 602 602 A 32 TYR HA A 31 LEU HBx 1.0 0.0 4.73 603 603 A 31 LEU HBy A 29 THR HB 1.0 0.0 4.54 604 604 A 31 LEU HBy A 40 TYR HBx 1.0 0.0 4.15 605 605 A 49 LEU HBy A 59 VAL H 1.0 0.0 4.89 606 606 A 49 LEU HBx A 59 VAL H 1.0 0.0 5.18 607 607 A 40 TYR HD% A 49 LEU HBy 1.0 0.0 5.12 608 608 A 49 LEU HBy A 40 TYR HBy 1.0 0.0 3.95 609 609 A 49 LEU HBx A 58 TYR HBx 1.0 0.0 3.79 610 610 A 34 ASP HBx A 38 GLN H 1.0 0.0 5.42 611 611 A 52 ASP HBy A 55 LYS H 1.0 0.0 4.31 612 612 A 34 ASP HBx A 39 TYR H 1.0 0.0 4.46 613 613 A 34 ASP HBy A 37 SER H 1.0 0.0 4.37 614 614 A 52 ASP HBy A 57 THR H 1.0 0.0 3.92 615 615 A 52 ASP HBx A 57 THR H 1.0 0.0 5.06 616 616 A 33 TYR HA A 34 ASP HBx 1.0 0.0 4.67 617 617 A 51 TRP HA A 52 ASP HBy 1.0 0.0 4.81 618 618 A 35 PRO HDy A 34 ASP HBx 1.0 0.0 4.35 619 619 A 35 PRO HDx A 34 ASP HBx 1.0 0.0 5.03 620 620 A 40 TYR HA A 33 TYR HBx 1.0 0.0 4.19 621 621 A 33 TYR HBy A 40 TYR HD% 1.0 0.0 4.93 622 622 A 40 TYR HD% A 33 TYR HBx 1.0 0.0 3.72 623 623 A 24 TYR HBx A 33 TYR HBy 1.0 0.0 3.71 624 624 A 57 THR HG2% A 56 GLU H 1.0 0.0 4.26 625 625 A 17 TYR HBy A 17 TYR H 1.0 0.0 3.58 626 626 A 7 TYR HBx A 51 TRP HZ3 1.0 0.0 4.16 627 627 A 58 TYR HBy A 59 VAL H 1.0 0.0 4.27 628 628 A 24 TYR HBy A 24 TYR H 1.0 0.0 4.14 629 629 A 10 PRO HA A 11 ASP HBy 1.0 0.0 4.71 630 630 A 56 GLU H A 56 GLU HGx 1.0 0.0 4.12 631 631 A 56 GLU H A 56 GLU HGy 1.0 0.0 4.12 632 632 A 51 TRP HZ2 A 56 GLU HGy 1.0 0.0 4.98 633 633 A 51 TRP HZ2 A 56 GLU HGx 1.0 0.0 4.98 634 634 A 51 TRP HH2 A 56 GLU HGy 1.0 0.0 5.44 635 635 A 51 TRP HH2 A 56 GLU HGx 1.0 0.0 5.44 636 636 A 57 THR H A 56 GLU HGy 1.0 0.0 5.39 637 637 A 57 THR H A 56 GLU HGx 1.0 0.0 5.39 638 638 A 52 ASP HBy A 55 LYS HBy 1.0 0.0 3.34 639 639 A 52 ASP HBx A 52 ASP H 1.0 0.0 3.11 640 640 A 52 ASP HBy A 53 GLY H 1.0 0.0 5.06 641 641 A 52 ASP HBx A 53 GLY H 1.0 0.0 5.16 642 642 A 9 VAL HGy% A 51 TRP HZ2 1.0 0.0 5.05 643 643 A 29 THR HG2% A 29 THR HA 1.0 0.0 2.40 644 644 A 45 THR HB A 45 THR H 1.0 0.0 4.02 645 645 A 46 GLN HA A 45 THR H 1.0 0.0 4.42 646 646 A 45 THR H A 42 ASN HBy 1.0 0.0 4.37 647 647 A 46 GLN HGy A 45 THR H 1.0 0.0 4.26 648 648 A 45 THR H A 42 ASN HBx 1.0 0.0 4.37 649 649 A 44 LEU HBx A 45 THR H 1.0 0.0 3.79 650 650 A 44 LEU HG A 45 THR H 1.0 0.0 3.86 651 651 A 45 THR HG2% A 45 THR H 1.0 0.0 4.04 652 652 A 44 LEU HDy% A 45 THR H 1.0 0.0 4.29 653 653 A 2 ALA HB% A 3 MET H 1.0 0.0 5.50 654 654 A 3 MET H A 3 MET HE% 1.0 0.0 5.50 655 655 A 5 THR HG2% A 5 THR H 1.0 0.0 4.66 656 656 A 5 THR HA A 6 LYS H 1.0 0.0 3.21 657 657 A 5 THR HG2% A 6 LYS H 1.0 0.0 4.43 658 658 A 5 THR HB A 6 LYS H 1.0 0.0 4.01 659 659 A 7 TYR HD% A 7 TYR H 1.0 0.0 3.93 660 660 A 7 TYR HBy A 7 TYR H 1.0 0.0 3.96 661 661 A 7 TYR HBx A 7 TYR H 1.0 0.0 3.45 662 662 A 7 TYR HD% A 8 ALA H 1.0 0.0 4.60 663 663 A 7 TYR HA A 8 ALA H 1.0 0.0 3.21 664 664 A 7 TYR HBy A 8 ALA H 1.0 0.0 3.89 665 665 A 7 TYR HBx A 8 ALA H 1.0 0.0 4.60 666 666 A 8 ALA HB% A 8 ALA H 1.0 0.0 3.28 667 667 A 8 ALA HA A 9 VAL H 1.0 0.0 2.86 668 668 A 9 VAL H A 10 PRO HDx 1.0 0.0 5.17 669 669 A 9 VAL H A 10 PRO HDy 1.0 0.0 5.17 670 670 A 9 VAL HB A 9 VAL H 1.0 0.0 3.67 671 671 A 8 ALA HB% A 9 VAL H 1.0 0.0 3.41 672 672 A 9 VAL HGx% A 9 VAL H 1.0 0.0 3.00 673 673 A 11 ASP H A 10 PRO HBy 1.0 0.0 3.99 674 674 A 10 PRO HGx A 11 ASP H 1.0 0.0 4.98 675 675 A 11 ASP H A 11 ASP HBy 1.0 0.0 3.33 676 676 A 11 ASP H A 11 ASP HBx 1.0 0.0 3.60 677 677 A 10 PRO HA A 11 ASP H 1.0 0.0 2.84 678 678 A 15 TYR HE% A 11 ASP H 1.0 0.0 5.01 679 679 A 11 ASP HA A 12 THR H 1.0 0.0 3.07 680 680 A 12 THR H A 11 ASP HBy 1.0 0.0 4.78 681 681 A 11 ASP HA A 13 SER H 1.0 0.0 4.30 682 682 A 11 ASP HBx A 13 SER H 1.0 0.0 4.03 683 683 A 14 THR HG2% A 13 SER H 1.0 0.0 4.79 684 684 A 12 THR HG2% A 13 SER H 1.0 0.0 4.63 685 685 A 14 THR H A 13 SER H 1.0 0.0 3.42 686 686 A 15 TYR HBy A 14 THR H 1.0 0.0 4.78 687 687 A 14 THR H A 11 ASP HBy 1.0 0.0 5.07 688 688 A 14 THR H A 11 ASP HBx 1.0 0.0 4.32 689 689 A 13 SER HA A 15 TYR H 1.0 0.0 4.77 690 690 A 12 THR HB A 15 TYR H 1.0 0.0 5.08 691 691 A 15 TYR HBy A 15 TYR H 1.0 0.0 3.15 692 692 A 14 THR HG2% A 15 TYR H 1.0 0.0 4.63 693 693 A 16 GLN H A 15 TYR H 1.0 0.0 4.72 694 694 A 13 SER H A 15 TYR H 1.0 0.0 4.66 695 695 A 24 TYR HD% A 16 GLN H 1.0 0.0 4.28 696 696 A 15 TYR HD% A 16 GLN H 1.0 0.0 4.01 697 697 A 25 TYR HD% A 16 GLN H 1.0 0.0 4.45 698 698 A 26 ASP HA A 16 GLN H 1.0 0.0 4.51 699 699 A 27 PRO HDx A 16 GLN H 1.0 0.0 3.95 700 700 A 15 TYR HBy A 16 GLN H 1.0 0.0 3.73 701 701 A 25 TYR HBy A 16 GLN H 1.0 0.0 4.01 702 702 A 16 GLN HBx A 16 GLN H 1.0 0.0 3.22 703 703 A 18 ASP H A 17 TYR H 1.0 0.0 4.83 704 704 A 24 TYR HD% A 17 TYR H 1.0 0.0 4.57 705 705 A 24 TYR HE% A 17 TYR H 1.0 0.0 4.65 706 706 A 17 TYR HD% A 17 TYR H 1.0 0.0 4.62 707 707 A 16 GLN HA A 17 TYR H 1.0 0.0 3.02 708 708 A 17 TYR HBx A 17 TYR H 1.0 0.0 2.71 709 709 A 16 GLN HBy A 17 TYR H 1.0 0.0 3.85 710 710 A 17 TYR HE% A 18 ASP H 1.0 0.0 4.69 711 711 A 17 TYR HD% A 18 ASP H 1.0 0.0 3.82 712 712 A 24 TYR HA A 18 ASP H 1.0 0.0 3.56 713 713 A 17 TYR HA A 18 ASP H 1.0 0.0 2.92 714 714 A 18 ASP H A 18 ASP HBy 1.0 0.0 3.56 715 715 A 19 GLU H A 21 SER H 1.0 0.0 4.95 716 716 A 17 TYR HE% A 19 GLU H 1.0 0.0 4.77 717 717 A 17 TYR HD% A 19 GLU H 1.0 0.0 4.66 718 718 A 18 ASP HA A 19 GLU H 1.0 0.0 2.82 719 719 A 19 GLU H A 18 ASP HBy 1.0 0.0 4.77 720 720 A 19 GLU HBy A 19 GLU H 1.0 0.0 3.02 721 721 A 21 SER H A 20 SER H 1.0 0.0 3.34 722 722 A 18 ASP HA A 20 SER H 1.0 0.0 3.97 723 723 A 19 GLU HBy A 20 SER H 1.0 0.0 4.07 724 724 A 21 SER H A 21 SER HBy 1.0 0.0 3.51 725 725 A 21 SER H A 18 ASP HBy 1.0 0.0 4.85 726 726 A 21 SER H A 18 ASP HBx 1.0 0.0 4.85 727 727 A 21 SER H A 22 GLY H 1.0 0.0 2.80 728 728 A 18 ASP HA A 22 GLY H 1.0 0.0 4.98 729 729 A 22 GLY H A 18 ASP HBy 1.0 0.0 4.93 730 730 A 22 GLY H A 18 ASP HBx 1.0 0.0 4.93 731 731 A 19 GLU HBy A 22 GLY H 1.0 0.0 5.50 732 732 A 23 TYR HD% A 23 TYR H 1.0 0.0 4.33 733 733 A 32 TYR HE% A 23 TYR H 1.0 0.0 4.98 734 734 A 23 TYR HBy A 23 TYR H 1.0 0.0 3.87 735 735 A 23 TYR HBx A 23 TYR H 1.0 0.0 3.14 736 736 A 17 TYR HE% A 23 TYR H 1.0 0.0 5.35 737 737 A 17 TYR HD% A 23 TYR H 1.0 0.0 5.50 738 738 A 24 TYR HD% A 24 TYR H 1.0 0.0 3.67 739 739 A 23 TYR HA A 24 TYR H 1.0 0.0 3.08 740 740 A 35 PRO HDx A 24 TYR H 1.0 0.0 4.36 741 741 A 23 TYR HBy A 24 TYR H 1.0 0.0 3.24 742 742 A 24 TYR HBx A 24 TYR H 1.0 0.0 2.93 743 743 A 23 TYR HBx A 24 TYR H 1.0 0.0 3.86 744 744 A 33 TYR HBy A 24 TYR H 1.0 0.0 4.22 745 745 A 24 TYR H A 18 ASP H 1.0 0.0 5.04 746 746 A 24 TYR H A 23 TYR H 1.0 0.0 4.70 747 747 A 17 TYR HD% A 24 TYR H 1.0 0.0 4.80 748 748 A 33 TYR HD% A 24 TYR H 1.0 0.0 4.73 749 749 A 35 PRO HGy A 24 TYR H 1.0 0.0 5.50 750 750 A 25 TYR H A 18 ASP H 1.0 0.0 4.60 751 751 A 25 TYR H A 26 ASP H 1.0 0.0 4.77 752 752 A 24 TYR HD% A 25 TYR H 1.0 0.0 4.31 753 753 A 32 TYR HE% A 25 TYR H 1.0 0.0 4.58 754 754 A 25 TYR HD% A 25 TYR H 1.0 0.0 4.43 755 755 A 24 TYR HA A 25 TYR H 1.0 0.0 3.07 756 756 A 17 TYR HA A 25 TYR H 1.0 0.0 4.01 757 757 A 24 TYR HBy A 25 TYR H 1.0 0.0 3.60 758 758 A 25 TYR HBy A 25 TYR H 1.0 0.0 3.07 759 759 A 16 GLN HBx A 25 TYR H 1.0 0.0 4.11 760 760 A 25 TYR HE% A 26 ASP H 1.0 0.0 4.67 761 761 A 25 TYR HD% A 26 ASP H 1.0 0.0 3.95 762 762 A 32 TYR HA A 26 ASP H 1.0 0.0 3.84 763 763 A 25 TYR HA A 26 ASP H 1.0 0.0 3.08 764 764 A 27 PRO HDx A 26 ASP H 1.0 0.0 4.36 765 765 A 25 TYR HBy A 26 ASP H 1.0 0.0 4.30 766 766 A 26 ASP H A 26 ASP HBy 1.0 0.0 3.78 767 767 A 28 THR H A 28 THR HB 1.0 0.0 3.83 768 768 A 27 PRO HDx A 28 THR H 1.0 0.0 3.40 769 769 A 27 PRO HBx A 28 THR H 1.0 0.0 4.53 770 770 A 27 PRO HGy A 28 THR H 1.0 0.0 4.34 771 771 A 28 THR H A 29 THR H 1.0 0.0 3.32 772 772 A 29 THR H A 28 THR HB 1.0 0.0 3.78 773 773 A 30 GLY HAy A 29 THR H 1.0 0.0 4.79 774 774 A 29 THR H A 26 ASP HBy 1.0 0.0 5.10 775 775 A 30 GLY H A 26 ASP HBy 1.0 0.0 4.38 776 776 A 31 LEU H A 30 GLY H 1.0 0.0 3.28 777 777 A 29 THR H A 30 GLY H 1.0 0.0 2.91 778 778 A 25 TYR HE% A 30 GLY H 1.0 0.0 5.34 779 779 A 31 LEU HBy A 30 GLY H 1.0 0.0 4.87 780 780 A 30 GLY H A 26 ASP HBx 1.0 0.0 4.38 781 781 A 29 THR H A 31 LEU H 1.0 0.0 4.00 782 782 A 32 TYR HA A 31 LEU H 1.0 0.0 5.15 783 783 A 29 THR HA A 31 LEU H 1.0 0.0 5.30 784 784 A 29 THR HB A 31 LEU H 1.0 0.0 3.85 785 785 A 31 LEU HBy A 31 LEU H 1.0 0.0 3.26 786 786 A 31 LEU HG A 31 LEU H 1.0 0.0 3.18 787 787 A 31 LEU HDy% A 31 LEU H 1.0 0.0 3.98 788 788 A 31 LEU HDx% A 31 LEU H 1.0 0.0 4.32 789 789 A 32 TYR H A 31 LEU H 1.0 0.0 4.85 790 790 A 32 TYR HD% A 32 TYR H 1.0 0.0 3.72 791 791 A 42 ASN HA A 32 TYR H 1.0 0.0 4.63 792 792 A 31 LEU HA A 32 TYR H 1.0 0.0 3.06 793 793 A 32 TYR HBx A 32 TYR H 1.0 0.0 2.93 794 794 A 41 TYR HBy A 32 TYR H 1.0 0.0 4.33 795 795 A 41 TYR HBx A 32 TYR H 1.0 0.0 4.76 796 796 A 31 LEU HBy A 32 TYR H 1.0 0.0 3.98 797 797 A 31 LEU HBx A 32 TYR H 1.0 0.0 3.54 798 798 A 31 LEU HDy% A 32 TYR H 1.0 0.0 3.85 799 799 A 32 TYR H A 41 TYR H 1.0 0.0 3.82 800 800 A 33 TYR H A 34 ASP H 1.0 0.0 4.44 801 801 A 32 TYR HD% A 33 TYR H 1.0 0.0 4.13 802 802 A 40 TYR HE% A 33 TYR H 1.0 0.0 4.91 803 803 A 33 TYR HD% A 33 TYR H 1.0 0.0 4.22 804 804 A 32 TYR HA A 33 TYR H 1.0 0.0 3.07 805 805 A 25 TYR HA A 33 TYR H 1.0 0.0 4.12 806 806 A 23 TYR HBy A 33 TYR H 1.0 0.0 4.10 807 807 A 32 TYR HBy A 33 TYR H 1.0 0.0 3.51 808 808 A 33 TYR HBy A 33 TYR H 1.0 0.0 3.35 809 809 A 33 TYR HD% A 34 ASP H 1.0 0.0 3.85 810 810 A 40 TYR HA A 34 ASP H 1.0 0.0 3.82 811 811 A 33 TYR HA A 34 ASP H 1.0 0.0 2.99 812 812 A 34 ASP HBy A 34 ASP H 1.0 0.0 3.20 813 813 A 33 TYR HBx A 34 ASP H 1.0 0.0 4.40 814 814 A 36 ASN H A 37 SER H 1.0 0.0 3.17 815 815 A 34 ASP HA A 36 ASN H 1.0 0.0 4.49 816 816 A 35 PRO HDy A 36 ASN H 1.0 0.0 3.85 817 817 A 35 PRO HDx A 36 ASN H 1.0 0.0 4.07 818 818 A 36 ASN H A 36 ASN HBy 1.0 0.0 3.13 819 819 A 35 PRO HBy A 36 ASN H 1.0 0.0 3.92 820 820 A 37 SER H A 36 ASN HBy 1.0 0.0 3.63 821 821 A 34 ASP HBx A 37 SER H 1.0 0.0 4.21 822 822 A 38 GLN H A 37 SER H 1.0 0.0 2.82 823 823 A 35 PRO HA A 38 GLN H 1.0 0.0 3.95 824 824 A 34 ASP HBy A 38 GLN H 1.0 0.0 3.88 825 825 A 38 GLN HBx A 38 GLN H 1.0 0.0 3.72 826 826 A 38 GLN HGy A 38 GLN H 1.0 0.0 4.31 827 827 A 38 GLN H A 39 TYR H 1.0 0.0 3.37 828 828 A 33 TYR HE% A 38 GLN H 1.0 0.0 5.46 829 829 A 37 SER HA A 39 TYR H 1.0 0.0 5.03 830 830 A 38 GLN HA A 39 TYR H 1.0 0.0 3.16 831 831 A 39 TYR HBx A 39 TYR H 1.0 0.0 3.16 832 832 A 38 GLN HBx A 39 TYR H 1.0 0.0 4.52 833 833 A 34 ASP HBy A 39 TYR H 1.0 0.0 3.78 834 834 A 40 TYR HD% A 40 TYR H 1.0 0.0 3.81 835 835 A 39 TYR HA A 40 TYR H 1.0 0.0 3.36 836 836 A 39 TYR HBy A 40 TYR H 1.0 0.0 4.04 837 837 A 40 TYR HBy A 40 TYR H 1.0 0.0 3.65 838 838 A 49 LEU HBx A 40 TYR H 1.0 0.0 4.65 839 839 A 39 TYR H A 40 TYR H 1.0 0.0 4.52 840 840 A 31 LEU HBx A 41 TYR H 1.0 0.0 4.37 841 841 A 31 LEU HDy% A 41 TYR H 1.0 0.0 4.68 842 842 A 40 TYR HD% A 41 TYR H 1.0 0.0 4.23 843 843 A 41 TYR HD% A 41 TYR H 1.0 0.0 4.60 844 844 A 40 TYR HA A 41 TYR H 1.0 0.0 3.25 845 845 A 33 TYR HA A 41 TYR H 1.0 0.0 4.32 846 846 A 31 LEU HA A 41 TYR H 1.0 0.0 4.73 847 847 A 40 TYR HBx A 41 TYR H 1.0 0.0 3.51 848 848 A 41 TYR HBy A 41 TYR H 1.0 0.0 3.73 849 849 A 41 TYR HBx A 41 TYR H 1.0 0.0 3.71 850 850 A 32 TYR HBx A 41 TYR H 1.0 0.0 3.80 851 851 A 47 GLN H A 42 ASN H 1.0 0.0 3.89 852 852 A 41 TYR HE% A 42 ASN H 1.0 0.0 4.74 853 853 A 41 TYR HD% A 42 ASN H 1.0 0.0 3.98 854 854 A 48 TYR HA A 42 ASN H 1.0 0.0 4.10 855 855 A 41 TYR HA A 42 ASN H 1.0 0.0 2.92 856 856 A 42 ASN H A 42 ASN HBy 1.0 0.0 3.76 857 857 A 41 TYR HBy A 42 ASN H 1.0 0.0 4.38 858 858 A 41 TYR HBx A 42 ASN H 1.0 0.0 4.38 859 859 A 42 ASN H A 42 ASN HBx 1.0 0.0 3.76 860 860 A 47 GLN HBx A 42 ASN H 1.0 0.0 5.48 861 861 A 49 LEU HG A 42 ASN H 1.0 0.0 4.99 862 862 A 31 LEU HDy% A 42 ASN H 1.0 0.0 3.99 863 863 A 41 TYR H A 42 ASN H 1.0 0.0 4.19 864 864 A 43 SER H A 42 ASN H 1.0 0.0 4.82 865 865 A 32 TYR HD% A 43 SER H 1.0 0.0 4.87 866 866 A 42 ASN HA A 43 SER H 1.0 0.0 3.10 867 867 A 43 SER H A 43 SER HBy 1.0 0.0 3.98 868 868 A 43 SER H A 43 SER HBx 1.0 0.0 3.98 869 869 A 43 SER H A 42 ASN HBy 1.0 0.0 4.60 870 870 A 43 SER H A 42 ASN HBx 1.0 0.0 4.60 871 871 A 43 SER H A 44 LEU HBy 1.0 0.0 4.89 872 872 A 31 LEU HDy% A 43 SER H 1.0 0.0 4.34 873 873 A 44 LEU H A 45 THR H 1.0 0.0 3.04 874 874 A 42 ASN HA A 44 LEU H 1.0 0.0 4.16 875 875 A 44 LEU HBx A 44 LEU H 1.0 0.0 3.11 876 876 A 44 LEU H A 44 LEU HBy 1.0 0.0 3.11 877 877 A 44 LEU HDy% A 44 LEU H 1.0 0.0 4.45 878 878 A 44 LEU H A 43 SER H 1.0 0.0 3.48 879 879 A 46 GLN H A 45 THR H 1.0 0.0 2.78 880 880 A 41 TYR HE% A 46 GLN H 1.0 0.0 4.86 881 881 A 42 ASN HA A 46 GLN H 1.0 0.0 5.05 882 882 A 45 THR HB A 46 GLN H 1.0 0.0 4.29 883 883 A 46 GLN HA A 46 GLN H 1.0 0.0 2.89 884 884 A 46 GLN HGy A 46 GLN H 1.0 0.0 3.19 885 885 A 44 LEU HBx A 46 GLN H 1.0 0.0 4.75 886 886 A 47 GLN HBx A 46 GLN H 1.0 0.0 5.04 887 887 A 45 THR HG2% A 46 GLN H 1.0 0.0 4.27 888 888 A 45 THR HB A 47 GLN H 1.0 0.0 4.53 889 889 A 47 GLN HBy A 47 GLN H 1.0 0.0 3.96 890 890 A 47 GLN HBx A 47 GLN H 1.0 0.0 3.54 891 891 A 47 GLN H A 46 GLN H 1.0 0.0 3.51 892 892 A 48 TYR HD% A 48 TYR H 1.0 0.0 3.56 893 893 A 48 TYR HE% A 48 TYR H 1.0 0.0 5.34 894 894 A 47 GLN HA A 48 TYR H 1.0 0.0 2.94 895 895 A 48 TYR HBx A 48 TYR H 1.0 0.0 3.07 896 896 A 47 GLN HBy A 48 TYR H 1.0 0.0 3.67 897 897 A 47 GLN HBx A 48 TYR H 1.0 0.0 4.15 898 898 A 61 ALA HB% A 48 TYR H 1.0 0.0 5.48 899 899 A 49 LEU HDy% A 48 TYR H 1.0 0.0 5.18 900 900 A 48 TYR HD% A 49 LEU H 1.0 0.0 4.53 901 901 A 48 TYR HA A 49 LEU H 1.0 0.0 3.21 902 902 A 41 TYR HA A 49 LEU H 1.0 0.0 4.55 903 903 A 39 TYR HBy A 49 LEU H 1.0 0.0 4.68 904 904 A 48 TYR HBy A 49 LEU H 1.0 0.0 3.90 905 905 A 49 LEU HBx A 49 LEU H 1.0 0.0 3.59 906 906 A 50 TYR HD% A 50 TYR H 1.0 0.0 4.19 907 907 A 49 LEU HA A 50 TYR H 1.0 0.0 3.44 908 908 A 58 TYR HA A 50 TYR H 1.0 0.0 5.19 909 909 A 61 ALA HA A 50 TYR H 1.0 0.0 5.41 910 910 A 40 TYR HBy A 50 TYR H 1.0 0.0 5.23 911 911 A 58 TYR HBx A 50 TYR H 1.0 0.0 4.85 912 912 A 49 LEU HBx A 50 TYR H 1.0 0.0 3.68 913 913 A 61 ALA HB% A 50 TYR H 1.0 0.0 5.13 914 914 A 49 LEU HDy% A 50 TYR H 1.0 0.0 4.21 915 915 A 51 TRP H A 52 ASP H 1.0 0.0 5.11 916 916 A 40 TYR HE% A 51 TRP H 1.0 0.0 4.18 917 917 A 51 TRP HBy A 51 TRP H 1.0 0.0 3.32 918 918 A 51 TRP HBx A 51 TRP H 1.0 0.0 3.88 919 919 A 53 GLY H A 51 TRP HE1 1.0 0.0 4.91 920 920 A 52 ASP HA A 51 TRP HE1 1.0 0.0 5.50 921 921 A 8 ALA HA A 51 TRP HE1 1.0 0.0 5.49 922 922 A 9 VAL HA A 51 TRP HE1 1.0 0.0 3.58 923 923 A 51 TRP HBy A 51 TRP HE1 1.0 0.0 5.01 924 924 A 56 GLU HA A 51 TRP HE1 1.0 0.0 4.71 925 925 A 51 TRP HE1 A 10 PRO HDx 1.0 0.0 4.53 926 926 A 51 TRP HE1 A 10 PRO HDy 1.0 0.0 4.53 927 927 A 8 ALA HB% A 51 TRP HE1 1.0 0.0 5.50 928 928 A 9 VAL HGx% A 51 TRP HE1 1.0 0.0 3.38 929 929 A 55 LYS HBy A 52 ASP H 1.0 0.0 4.95 930 930 A 57 THR H A 52 ASP H 1.0 0.0 4.11 931 931 A 51 TRP HE3 A 52 ASP H 1.0 0.0 4.37 932 932 A 58 TYR HA A 52 ASP H 1.0 0.0 4.23 933 933 A 51 TRP HA A 52 ASP H 1.0 0.0 3.02 934 934 A 51 TRP HBy A 52 ASP H 1.0 0.0 4.65 935 935 A 51 TRP HBx A 52 ASP H 1.0 0.0 4.43 936 936 A 52 ASP HBy A 52 ASP H 1.0 0.0 3.42 937 937 A 59 VAL H A 52 ASP H 1.0 0.0 4.30 938 938 A 55 LYS HBy A 55 LYS H 1.0 0.0 3.36 939 939 A 57 THR H A 56 GLU H 1.0 0.0 3.94 940 940 A 55 LYS HBy A 56 GLU H 1.0 0.0 4.35 941 941 A 58 TYR HD% A 58 TYR H 1.0 0.0 3.66 942 942 A 58 TYR HE% A 58 TYR H 1.0 0.0 4.98 943 943 A 57 THR HA A 58 TYR H 1.0 0.0 3.43 944 944 A 57 THR HB A 58 TYR H 1.0 0.0 4.26 945 945 A 58 TYR HBy A 58 TYR H 1.0 0.0 3.43 946 946 A 58 TYR H A 59 VAL H 1.0 0.0 5.48 947 947 A 58 TYR HD% A 59 VAL H 1.0 0.0 5.00 948 948 A 49 LEU HA A 59 VAL H 1.0 0.0 5.18 949 949 A 58 TYR HA A 59 VAL H 1.0 0.0 3.05 950 950 A 51 TRP HA A 59 VAL H 1.0 0.0 4.72 951 951 A 60 PRO HDy A 59 VAL H 1.0 0.0 5.50 952 952 A 58 TYR HBx A 59 VAL H 1.0 0.0 4.26 953 953 A 59 VAL HB A 59 VAL H 1.0 0.0 3.79 954 954 A 49 LEU HDy% A 59 VAL H 1.0 0.0 3.78 955 955 A 50 TYR HD% A 61 ALA H 1.0 0.0 4.76 956 956 A 50 TYR HE% A 61 ALA H 1.0 0.0 5.03 957 957 A 49 LEU HA A 61 ALA H 1.0 0.0 3.44 958 958 A 60 PRO HA A 61 ALA H 1.0 0.0 3.30 959 959 A 60 PRO HDy A 61 ALA H 1.0 0.0 5.50 960 960 A 49 LEU HG A 61 ALA H 1.0 0.0 4.88 961 961 A 61 ALA HB% A 61 ALA H 1.0 0.0 3.20 962 962 A 60 PRO HBy A 62 ALA H 1.0 0.0 4.91 963 963 A 62 ALA H A 62 ALA HB% 1.0 0.0 3.37 964 964 A 61 ALA HB% A 62 ALA H 1.0 0.0 3.80 965 965 A 63 GLU H A 63 GLU HGx 1.0 0.0 5.23 966 966 A 63 GLU H A 63 GLU HGy 1.0 0.0 5.23 967 967 A 62 ALA HB% A 63 GLU H 1.0 0.0 4.42 968 968 A 63 GLU H A 62 ALA HA 1.0 0.0 3.52 969 969 A 38 GLN HBx A 38 GLN HE2y 1.0 0.0 4.92 970 970 A 38 GLN HA A 38 GLN HE2x 1.0 0.0 4.53 971 971 A 42 ASN HD2x A 42 ASN HBx 1.0 0.0 3.82 972 972 A 38 GLN HBy A 38 GLN HE2x 1.0 0.0 3.81 973 973 A 47 GLN HBy A 47 GLN HE2x 1.0 0.0 4.44 974 974 A 36 ASN HA A 36 ASN HD2y 1.0 0.0 4.59 975 975 A 36 ASN HD2x A 36 ASN HBy 1.0 0.0 4.05 976 976 A 47 GLN HBy A 47 GLN HE2y 1.0 0.0 4.44 977 977 A 31 LEU HDy% A 42 ASN HD2y 1.0 0.0 4.14 978 978 A 21 SER H A 21 SER HBx 1.0 0.0 3.51 979 979 A 19 GLU HBy A 21 SER H 1.0 0.0 5.50 980 980 A 33 TYR HA A 39 TYR H 1.0 0.0 5.17 981 981 A 36 ASN HD2x A 36 ASN HBx 1.0 0.0 4.05 982 982 A 52 ASP HBx A 59 VAL H 1.0 0.0 5.46 983 983 A 60 PRO HDx A 59 VAL H 1.0 0.0 5.50 984 984 A 50 TYR HA A 59 VAL H 1.0 0.0 5.50 985 985 A 35 PRO HBy A 36 ASN HD2y 1.0 0.0 5.00 986 986 A 36 ASN H A 36 ASN HBx 1.0 0.0 3.13 987 987 A 38 GLN HBx A 38 GLN HE2x 1.0 0.0 4.25 988 988 A 12 THR H A 11 ASP HBx 1.0 0.0 4.19 989 989 A 31 LEU HDx% A 32 TYR H 1.0 0.0 4.79 990 990 A 39 TYR HBx A 40 TYR H 1.0 0.0 3.72 991 991 A 9 VAL HGy% A 9 VAL H 1.0 0.0 3.15 992 992 A 41 TYR HE% A 43 SER H 1.0 0.0 5.50 993 993 A 41 TYR HD% A 43 SER H 1.0 0.0 4.97 994 994 A 31 LEU HDx% A 41 TYR H 1.0 0.0 5.42 995 995 A 31 LEU HBy A 41 TYR H 1.0 0.0 4.90 996 996 A 34 ASP H A 41 TYR H 1.0 0.0 5.50 997 997 A 31 LEU HBy A 33 TYR H 1.0 0.0 5.50 998 998 A 31 LEU HBx A 33 TYR H 1.0 0.0 5.50 999 999 A 12 THR HG2% A 33 TYR H 1.0 0.0 5.50 1000 1000 A 46 GLN HA A 42 ASN H 1.0 0.0 5.04 1001 1001 A 32 TYR H A 33 TYR H 1.0 0.0 4.80 1002 1002 A 49 LEU HDy% A 62 ALA H 1.0 0.0 5.50 1003 1003 A 49 LEU H A 48 TYR H 1.0 0.0 5.03 1004 1004 A 61 ALA H A 49 LEU H 1.0 0.0 5.50 1005 1005 A 49 LEU H A 42 ASN H 1.0 0.0 5.50 1006 1006 A 61 ALA HB% A 49 LEU H 1.0 0.0 5.39 1007 1007 A 40 TYR HBy A 49 LEU H 1.0 0.0 3.36 1008 1008 A 39 TYR HBx A 49 LEU H 1.0 0.0 4.61 1009 1009 A 52 ASP HA A 51 TRP H 1.0 0.0 5.50 1010 1010 A 58 TYR HD% A 51 TRP H 1.0 0.0 5.35 1011 1011 A 48 TYR HE% A 49 LEU H 1.0 0.0 5.50 1012 1012 A 10 PRO HGx A 51 TRP H 1.0 0.0 5.50 1013 1013 A 31 LEU HDy% A 44 LEU H 1.0 0.0 5.20 1014 1014 A 31 LEU HDx% A 40 TYR H 1.0 0.0 5.50 1015 1015 A 58 TYR HD% A 40 TYR H 1.0 0.0 5.50 1016 1016 A 40 TYR HE% A 40 TYR H 1.0 0.0 5.26 1017 1017 A 33 TYR HA A 40 TYR H 1.0 0.0 5.50 1018 1018 A 61 ALA HB% A 40 TYR H 1.0 0.0 5.50 1019 1019 A 31 LEU HDx% A 43 SER H 1.0 0.0 5.50 1020 1020 A 25 TYR HE% A 31 LEU H 1.0 0.0 5.16 1021 1021 A 58 TYR HD% A 50 TYR H 1.0 0.0 5.31 1022 1022 A 15 TYR HA A 14 THR H 1.0 0.0 4.89 1023 1023 A 34 ASP HA A 37 SER H 1.0 0.0 5.11 1024 1024 A 15 TYR HA A 16 GLN H 1.0 0.0 2.73 1025 1025 A 32 TYR HBy A 32 TYR H 1.0 0.0 3.67 1026 1026 A 49 LEU HDx% A 42 ASN H 1.0 0.0 4.09 1027 1027 A 49 LEU HBy A 50 TYR H 1.0 0.0 3.61 1028 1028 A 7 TYR H A 6 LYS HBx 1.0 0.0 3.75 1029 1029 A 7 TYR H A 6 LYS HBy 1.0 0.0 3.75 1030 1030 A 3 MET H A 3 MET HGx 1.0 0.0 5.34 1031 1030 A 3 MET H A 3 MET HGy 1.0 0.0 5.34 1032 1031 A 6 LYS H A 6 LYS HBx 1.0 0.0 3.28 1033 1031 A 6 LYS H A 6 LYS HBy 1.0 0.0 3.28 1034 1032 A 6 LYS H A 6 LYS HGx 1.0 0.0 4.40 1035 1032 A 6 LYS H A 6 LYS HGy 1.0 0.0 4.40 1036 1033 A 6 LYS HA A 6 LYS HDx 1.0 0.0 4.42 1037 1033 A 6 LYS HA A 6 LYS HDy 1.0 0.0 4.42 1038 1034 A 6 LYS HBx A 6 LYS HEx 1.0 0.0 4.72 1039 1034 A 6 LYS HBy A 6 LYS HEx 1.0 0.0 4.72 1040 1034 A 6 LYS HEy A 6 LYS HBx 1.0 0.0 4.72 1041 1034 A 6 LYS HBy A 6 LYS HEy 1.0 0.0 4.72 1042 1035 A 7 TYR H A 6 LYS HBx 1.0 0.0 3.12 1043 1035 A 7 TYR H A 6 LYS HBy 1.0 0.0 3.12 1044 1036 A 7 TYR HBx A 6 LYS HBx 1.0 0.0 3.81 1045 1036 A 7 TYR HBx A 6 LYS HBy 1.0 0.0 3.81 1046 1037 A 7 TYR H A 6 LYS HGx 1.0 0.0 4.69 1047 1037 A 7 TYR H A 6 LYS HGy 1.0 0.0 4.69 1048 1038 A 9 VAL H A 10 PRO HDx 1.0 0.0 4.40 1049 1038 A 9 VAL H A 10 PRO HDy 1.0 0.0 4.40 1050 1039 A 9 VAL HA A 10 PRO HDx 1.0 0.0 3.24 1051 1039 A 9 VAL HA A 10 PRO HDy 1.0 0.0 3.24 1052 1040 A 9 VAL HB A 10 PRO HDx 1.0 0.0 4.42 1053 1040 A 9 VAL HB A 10 PRO HDy 1.0 0.0 4.42 1054 1041 A 11 ASP HA A 10 PRO HBy 1.0 0.0 5.34 1055 1041 A 11 ASP HA A 10 PRO HBx 1.0 0.0 5.34 1056 1042 A 58 TYR HE% A 10 PRO HBy 1.0 0.0 4.09 1057 1042 A 58 TYR HE% A 10 PRO HBx 1.0 0.0 4.09 1058 1043 A 51 TRP HD1 A 10 PRO HDx 1.0 0.0 4.70 1059 1043 A 51 TRP HD1 A 10 PRO HDy 1.0 0.0 4.70 1060 1044 A 51 TRP HE1 A 10 PRO HDx 1.0 0.0 3.98 1061 1044 A 51 TRP HE1 A 10 PRO HDy 1.0 0.0 3.98 1062 1045 A 11 ASP HA A 13 SER HBx 1.0 0.0 5.34 1063 1045 A 11 ASP HA A 13 SER HBy 1.0 0.0 5.34 1064 1046 A 11 ASP HBy A 13 SER HBx 1.0 0.0 5.27 1065 1046 A 11 ASP HBy A 13 SER HBy 1.0 0.0 5.27 1066 1047 A 11 ASP HBx A 13 SER HBx 1.0 0.0 4.48 1067 1047 A 11 ASP HBx A 13 SER HBy 1.0 0.0 4.48 1068 1048 A 12 THR H A 13 SER HBx 1.0 0.0 4.99 1069 1048 A 12 THR H A 13 SER HBy 1.0 0.0 4.99 1070 1049 A 13 SER H A 13 SER HBx 1.0 0.0 3.11 1071 1049 A 13 SER H A 13 SER HBy 1.0 0.0 3.11 1072 1050 A 14 THR H A 13 SER HBx 1.0 0.0 4.08 1073 1050 A 14 THR H A 13 SER HBy 1.0 0.0 4.08 1074 1051 A 14 THR HG2% A 13 SER HBx 1.0 0.0 5.05 1075 1051 A 14 THR HG2% A 13 SER HBy 1.0 0.0 5.05 1076 1052 A 15 TYR H A 13 SER HBx 1.0 0.0 5.32 1077 1052 A 15 TYR H A 13 SER HBy 1.0 0.0 5.32 1078 1053 A 15 TYR H A 16 GLN HGx 1.0 0.0 5.32 1079 1053 A 15 TYR H A 16 GLN HGy 1.0 0.0 5.32 1080 1054 A 15 TYR HA A 16 GLN HGx 1.0 0.0 4.52 1081 1054 A 15 TYR HA A 16 GLN HGy 1.0 0.0 4.52 1082 1055 A 15 TYR HBx A 16 GLN HGx 1.0 0.0 5.34 1083 1055 A 15 TYR HBx A 16 GLN HGy 1.0 0.0 5.34 1084 1056 A 15 TYR HD% A 26 ASP HBy 1.0 0.0 4.44 1085 1056 A 15 TYR HD% A 26 ASP HBx 1.0 0.0 4.44 1086 1057 A 15 TYR HE% A 26 ASP HBy 1.0 0.0 3.77 1087 1057 A 15 TYR HE% A 26 ASP HBx 1.0 0.0 3.77 1088 1058 A 16 GLN H A 16 GLN HGx 1.0 0.0 3.60 1089 1058 A 16 GLN H A 16 GLN HGy 1.0 0.0 3.60 1090 1059 A 16 GLN HA A 16 GLN HGx 1.0 0.0 3.38 1091 1059 A 16 GLN HA A 16 GLN HGy 1.0 0.0 3.38 1092 1060 A 25 TYR HD% A 16 GLN HGx 1.0 0.0 4.45 1093 1060 A 25 TYR HD% A 16 GLN HGy 1.0 0.0 4.45 1094 1061 A 25 TYR HE% A 16 GLN HGx 1.0 0.0 5.34 1095 1061 A 25 TYR HE% A 16 GLN HGy 1.0 0.0 5.34 1096 1062 A 26 ASP HA A 16 GLN HGx 1.0 0.0 5.34 1097 1062 A 26 ASP HA A 16 GLN HGy 1.0 0.0 5.34 1098 1063 A 27 PRO HGy A 16 GLN HGx 1.0 0.0 4.39 1099 1063 A 27 PRO HGy A 16 GLN HGy 1.0 0.0 4.39 1100 1064 A 27 PRO HDx A 16 GLN HGx 1.0 0.0 4.18 1101 1064 A 27 PRO HDx A 16 GLN HGy 1.0 0.0 4.18 1102 1065 A 27 PRO HBy A 16 GLN HE2x 1.0 0.0 4.69 1103 1065 A 27 PRO HBy A 16 GLN HE2y 1.0 0.0 4.69 1104 1066 A 27 PRO HBx A 16 GLN HE2y 1.0 0.0 4.55 1105 1066 A 27 PRO HBx A 16 GLN HE2x 1.0 0.0 4.55 1106 1067 A 27 PRO HGy A 16 GLN HE2x 1.0 0.0 3.88 1107 1067 A 27 PRO HGy A 16 GLN HE2y 1.0 0.0 3.88 1108 1068 A 27 PRO HDx A 16 GLN HE2x 1.0 0.0 5.09 1109 1068 A 27 PRO HDx A 16 GLN HE2y 1.0 0.0 5.09 1110 1069 A 17 TYR HA A 18 ASP HBx 1.0 0.0 5.34 1111 1069 A 17 TYR HA A 18 ASP HBy 1.0 0.0 5.34 1112 1070 A 18 ASP H A 18 ASP HBx 1.0 0.0 2.99 1113 1070 A 18 ASP H A 18 ASP HBy 1.0 0.0 2.99 1114 1071 A 18 ASP HA A 19 GLU HGx 1.0 0.0 4.88 1115 1071 A 18 ASP HA A 19 GLU HGy 1.0 0.0 4.88 1116 1072 A 19 GLU H A 18 ASP HBx 1.0 0.0 3.94 1117 1072 A 19 GLU H A 18 ASP HBy 1.0 0.0 3.94 1118 1073 A 21 SER H A 18 ASP HBx 1.0 0.0 4.03 1119 1073 A 21 SER H A 18 ASP HBy 1.0 0.0 4.03 1120 1074 A 22 GLY H A 18 ASP HBx 1.0 0.0 4.29 1121 1074 A 22 GLY H A 18 ASP HBy 1.0 0.0 4.29 1122 1075 A 23 TYR H A 18 ASP HBx 1.0 0.0 4.35 1123 1075 A 23 TYR H A 18 ASP HBy 1.0 0.0 4.35 1124 1076 A 19 GLU H A 19 GLU HGx 1.0 0.0 3.46 1125 1076 A 19 GLU H A 19 GLU HGy 1.0 0.0 3.46 1126 1077 A 19 GLU H A 20 SER HBx 1.0 0.0 4.66 1127 1077 A 19 GLU H A 20 SER HBy 1.0 0.0 4.66 1128 1078 A 19 GLU HA A 19 GLU HGx 1.0 0.0 3.55 1129 1078 A 19 GLU HA A 19 GLU HGy 1.0 0.0 3.55 1130 1079 A 19 GLU HBy A 20 SER HBx 1.0 0.0 5.34 1131 1079 A 19 GLU HBy A 20 SER HBy 1.0 0.0 5.34 1132 1080 A 20 SER H A 19 GLU HGx 1.0 0.0 4.07 1133 1080 A 20 SER H A 19 GLU HGy 1.0 0.0 4.07 1134 1081 A 20 SER HA A 19 GLU HGx 1.0 0.0 4.80 1135 1081 A 19 GLU HGy A 20 SER HA 1.0 0.0 4.80 1136 1082 A 20 SER H A 20 SER HBx 1.0 0.0 3.06 1137 1082 A 20 SER H A 20 SER HBy 1.0 0.0 3.06 1138 1083 A 21 SER H A 20 SER HBx 1.0 0.0 3.82 1139 1083 A 21 SER H A 20 SER HBy 1.0 0.0 3.82 1140 1084 A 21 SER H A 21 SER HBy 1.0 0.0 3.04 1141 1084 A 21 SER H A 21 SER HBx 1.0 0.0 3.04 1142 1085 A 26 ASP H A 26 ASP HBy 1.0 0.0 3.07 1143 1085 A 26 ASP H A 26 ASP HBx 1.0 0.0 3.07 1144 1086 A 27 PRO HDx A 26 ASP HBy 1.0 0.0 4.25 1145 1086 A 27 PRO HDx A 26 ASP HBx 1.0 0.0 4.25 1146 1087 A 28 THR H A 26 ASP HBy 1.0 0.0 5.34 1147 1087 A 28 THR H A 26 ASP HBx 1.0 0.0 5.34 1148 1088 A 29 THR H A 26 ASP HBy 1.0 0.0 4.26 1149 1088 A 29 THR H A 26 ASP HBx 1.0 0.0 4.26 1150 1089 A 30 GLY HAx A 26 ASP HBy 1.0 0.0 5.34 1151 1089 A 26 ASP HBx A 30 GLY HAx 1.0 0.0 5.34 1152 1090 A 31 LEU H A 26 ASP HBy 1.0 0.0 3.80 1153 1090 A 31 LEU H A 26 ASP HBx 1.0 0.0 3.80 1154 1091 A 31 LEU HBy A 26 ASP HBy 1.0 0.0 4.43 1155 1091 A 31 LEU HBy A 26 ASP HBx 1.0 0.0 4.43 1156 1092 A 31 LEU HBx A 26 ASP HBy 1.0 0.0 4.66 1157 1092 A 31 LEU HBx A 26 ASP HBx 1.0 0.0 4.66 1158 1093 A 31 LEU HDx% A 26 ASP HBy 1.0 0.0 4.69 1159 1093 A 31 LEU HDx% A 26 ASP HBx 1.0 0.0 4.69 1160 1094 A 32 TYR HA A 26 ASP HBy 1.0 0.0 4.74 1161 1094 A 32 TYR HA A 26 ASP HBx 1.0 0.0 4.74 1162 1095 A 33 TYR H A 26 ASP HBy 1.0 0.0 5.34 1163 1095 A 33 TYR H A 26 ASP HBx 1.0 0.0 5.34 1164 1096 A 40 TYR HE% A 26 ASP HBy 1.0 0.0 4.44 1165 1096 A 40 TYR HE% A 26 ASP HBx 1.0 0.0 4.44 1166 1097 A 31 LEU HDy% A 42 ASN HBx 1.0 0.0 4.07 1167 1097 A 31 LEU HDy% A 42 ASN HBy 1.0 0.0 4.07 1168 1098 A 31 LEU HDy% A 43 SER HBx 1.0 0.0 5.27 1169 1098 A 31 LEU HDy% A 43 SER HBy 1.0 0.0 5.27 1170 1099 A 32 TYR HD% A 43 SER HBx 1.0 0.0 4.12 1171 1099 A 32 TYR HD% A 43 SER HBy 1.0 0.0 4.12 1172 1100 A 32 TYR HE% A 43 SER HBx 1.0 0.0 3.92 1173 1100 A 32 TYR HE% A 43 SER HBy 1.0 0.0 3.92 1174 1101 A 36 ASN H A 36 ASN HBx 1.0 0.0 2.64 1175 1101 A 36 ASN H A 36 ASN HBy 1.0 0.0 2.64 1176 1102 A 36 ASN HD2x A 36 ASN HBx 1.0 0.0 3.42 1177 1102 A 36 ASN HD2x A 36 ASN HBy 1.0 0.0 3.42 1178 1103 A 37 SER H A 36 ASN HBx 1.0 0.0 3.07 1179 1103 A 37 SER H A 36 ASN HBy 1.0 0.0 3.07 1180 1104 A 37 SER H A 37 SER HBy 1.0 0.0 3.13 1181 1104 A 37 SER H A 37 SER HBx 1.0 0.0 3.13 1182 1105 A 39 TYR HD% A 37 SER HBy 1.0 0.0 4.13 1183 1105 A 39 TYR HD% A 37 SER HBx 1.0 0.0 4.13 1184 1106 A 39 TYR HE% A 37 SER HBy 1.0 0.0 4.29 1185 1106 A 39 TYR HE% A 37 SER HBx 1.0 0.0 4.29 1186 1107 A 39 TYR HA A 50 TYR HBy 1.0 0.0 4.76 1187 1107 A 39 TYR HA A 50 TYR HBx 1.0 0.0 4.76 1188 1108 A 39 TYR HE% A 50 TYR HBy 1.0 0.0 3.45 1189 1108 A 39 TYR HE% A 50 TYR HBx 1.0 0.0 3.45 1190 1109 A 41 TYR HA A 42 ASN HBx 1.0 0.0 4.43 1191 1109 A 41 TYR HA A 42 ASN HBy 1.0 0.0 4.43 1192 1110 A 41 TYR HD% A 43 SER HBx 1.0 0.0 4.33 1193 1110 A 41 TYR HD% A 43 SER HBy 1.0 0.0 4.33 1194 1111 A 41 TYR HE% A 43 SER HBx 1.0 0.0 4.24 1195 1111 A 41 TYR HE% A 43 SER HBy 1.0 0.0 4.24 1196 1112 A 42 ASN H A 42 ASN HBx 1.0 0.0 3.12 1197 1112 A 42 ASN H A 42 ASN HBy 1.0 0.0 3.12 1198 1113 A 42 ASN HD2y A 42 ASN HBx 1.0 0.0 2.36 1199 1113 A 42 ASN HD2y A 42 ASN HBy 1.0 0.0 2.36 1200 1114 A 42 ASN HD2x A 42 ASN HBx 1.0 0.0 3.28 1201 1114 A 42 ASN HD2x A 42 ASN HBy 1.0 0.0 3.28 1202 1115 A 44 LEU H A 42 ASN HBx 1.0 0.0 4.76 1203 1115 A 44 LEU H A 42 ASN HBy 1.0 0.0 4.76 1204 1116 A 46 GLN H A 42 ASN HBx 1.0 0.0 4.21 1205 1116 A 46 GLN H A 42 ASN HBy 1.0 0.0 4.21 1206 1117 A 47 GLN H A 42 ASN HBx 1.0 0.0 3.79 1207 1117 A 47 GLN H A 42 ASN HBy 1.0 0.0 3.79 1208 1118 A 47 GLN HBy A 42 ASN HBx 1.0 0.0 4.72 1209 1118 A 47 GLN HBy A 42 ASN HBy 1.0 0.0 4.72 1210 1119 A 47 GLN HBx A 42 ASN HBx 1.0 0.0 4.19 1211 1119 A 47 GLN HBx A 42 ASN HBy 1.0 0.0 4.19 1212 1120 A 48 TYR HA A 42 ASN HBx 1.0 0.0 5.34 1213 1120 A 48 TYR HA A 42 ASN HBy 1.0 0.0 5.34 1214 1121 A 49 LEU HG A 42 ASN HBx 1.0 0.0 5.34 1215 1121 A 49 LEU HG A 42 ASN HBy 1.0 0.0 5.34 1216 1122 A 49 LEU HDx% A 42 ASN HBx 1.0 0.0 3.60 1217 1122 A 49 LEU HDx% A 42 ASN HBy 1.0 0.0 3.60 1218 1123 A 43 SER H A 43 SER HBx 1.0 0.0 3.16 1219 1123 A 43 SER H A 43 SER HBy 1.0 0.0 3.16 1220 1124 A 45 THR HB A 47 GLN HGx 1.0 0.0 4.18 1221 1124 A 45 THR HB A 47 GLN HGy 1.0 0.0 4.18 1222 1125 A 45 THR HG2% A 47 GLN HE2y 1.0 0.0 5.34 1223 1125 A 45 THR HG2% A 47 GLN HE2x 1.0 0.0 5.34 1224 1126 A 47 GLN H A 47 GLN HGx 1.0 0.0 3.56 1225 1126 A 47 GLN H A 47 GLN HGy 1.0 0.0 3.56 1226 1127 A 47 GLN HA A 47 GLN HGx 1.0 0.0 3.55 1227 1127 A 47 GLN HA A 47 GLN HGy 1.0 0.0 3.55 1228 1128 A 47 GLN HE2y A 47 GLN HGy 1.0 0.0 3.13 1229 1128 A 47 GLN HE2x A 47 GLN HGx 1.0 0.0 3.13 1230 1128 A 47 GLN HE2x A 47 GLN HGy 1.0 0.0 3.13 1231 1128 A 47 GLN HE2y A 47 GLN HGx 1.0 0.0 3.13 1232 1129 A 48 TYR H A 47 GLN HGx 1.0 0.0 3.82 1233 1129 A 48 TYR H A 47 GLN HGy 1.0 0.0 3.82 1234 1130 A 49 LEU HG A 47 GLN HGx 1.0 0.0 5.34 1235 1130 A 49 LEU HG A 47 GLN HGy 1.0 0.0 5.34 1236 1131 A 49 LEU HDx% A 47 GLN HGx 1.0 0.0 5.18 1237 1131 A 49 LEU HDx% A 47 GLN HGy 1.0 0.0 5.18 1238 1132 A 49 LEU HDy% A 47 GLN HGx 1.0 0.0 4.46 1239 1132 A 49 LEU HDy% A 47 GLN HGy 1.0 0.0 4.46 1240 1133 A 49 LEU HDy% A 47 GLN HE2y 1.0 0.0 5.24 1241 1133 A 49 LEU HDy% A 47 GLN HE2x 1.0 0.0 5.24 1242 1134 A 60 PRO HBx A 47 GLN HE2y 1.0 0.0 4.67 1243 1134 A 60 PRO HBx A 47 GLN HE2x 1.0 0.0 4.67 1244 1135 A 60 PRO HBy A 47 GLN HE2y 1.0 0.0 4.56 1245 1135 A 60 PRO HBy A 47 GLN HE2x 1.0 0.0 4.56 1246 1136 A 47 GLN HE2x A 60 PRO HGy 1.0 0.0 4.87 1247 1136 A 47 GLN HE2x A 60 PRO HGx 1.0 0.0 4.87 1248 1136 A 47 GLN HE2y A 60 PRO HGy 1.0 0.0 4.87 1249 1136 A 47 GLN HE2y A 60 PRO HGx 1.0 0.0 4.87 1250 1137 A 49 LEU HDy% A 60 PRO HGy 1.0 0.0 3.86 1251 1137 A 49 LEU HDy% A 60 PRO HGx 1.0 0.0 3.86 1252 1138 A 51 TRP H A 50 TYR HBy 1.0 0.0 3.70 1253 1138 A 51 TRP H A 50 TYR HBx 1.0 0.0 3.70 1254 1139 A 51 TRP HD1 A 53 GLY HAy 1.0 0.0 5.10 1255 1139 A 51 TRP HD1 A 53 GLY HAx 1.0 0.0 5.10 1256 1140 A 51 TRP HE1 A 53 GLY HAy 1.0 0.0 3.51 1257 1140 A 51 TRP HE1 A 53 GLY HAx 1.0 0.0 3.51 1258 1141 A 51 TRP HZ2 A 56 GLU HGx 1.0 0.0 4.36 1259 1141 A 51 TRP HZ2 A 56 GLU HGy 1.0 0.0 4.36 1260 1142 A 51 TRP HH2 A 56 GLU HBx 1.0 0.0 3.47 1261 1142 A 51 TRP HH2 A 56 GLU HBy 1.0 0.0 3.47 1262 1143 A 51 TRP HH2 A 56 GLU HGx 1.0 0.0 4.71 1263 1143 A 51 TRP HH2 A 56 GLU HGy 1.0 0.0 4.71 1264 1144 A 52 ASP HBx A 55 LYS HGx 1.0 0.0 5.34 1265 1144 A 52 ASP HBx A 55 LYS HGy 1.0 0.0 5.34 1266 1145 A 52 ASP HBy A 55 LYS HGx 1.0 0.0 4.32 1267 1145 A 52 ASP HBy A 55 LYS HGy 1.0 0.0 4.32 1268 1146 A 56 GLU H A 53 GLY HAy 1.0 0.0 4.49 1269 1146 A 56 GLU H A 53 GLY HAx 1.0 0.0 4.49 1270 1147 A 56 GLU HA A 53 GLY HAy 1.0 0.0 4.97 1271 1147 A 56 GLU HA A 53 GLY HAx 1.0 0.0 4.97 1272 1148 A 53 GLY HAx A 56 GLU HGx 1.0 0.0 4.63 1273 1148 A 53 GLY HAy A 56 GLU HGx 1.0 0.0 4.63 1274 1148 A 56 GLU HGy A 53 GLY HAy 1.0 0.0 4.63 1275 1148 A 53 GLY HAx A 56 GLU HGy 1.0 0.0 4.63 1276 1149 A 54 GLU H A 54 GLU HBx 1.0 0.0 2.94 1277 1149 A 54 GLU H A 54 GLU HBy 1.0 0.0 2.94 1278 1150 A 54 GLU HA A 54 GLU HGy 1.0 0.0 3.49 1279 1150 A 54 GLU HA A 54 GLU HGx 1.0 0.0 3.49 1280 1151 A 55 LYS H A 54 GLU HBx 1.0 0.0 3.38 1281 1151 A 55 LYS H A 54 GLU HBy 1.0 0.0 3.38 1282 1152 A 55 LYS HA A 54 GLU HBx 1.0 0.0 4.82 1283 1152 A 55 LYS HA A 54 GLU HBy 1.0 0.0 4.82 1284 1153 A 55 LYS HBy A 54 GLU HBx 1.0 0.0 5.34 1285 1153 A 55 LYS HBy A 54 GLU HBy 1.0 0.0 5.34 1286 1154 A 54 GLU HBy A 55 LYS HGx 1.0 0.0 4.04 1287 1154 A 54 GLU HBx A 55 LYS HGx 1.0 0.0 4.04 1288 1154 A 55 LYS HGy A 54 GLU HBx 1.0 0.0 4.04 1289 1154 A 55 LYS HGy A 54 GLU HBy 1.0 0.0 4.04 1290 1155 A 54 GLU HBy A 55 LYS HEx 1.0 0.0 5.18 1291 1155 A 54 GLU HBx A 55 LYS HEx 1.0 0.0 5.18 1292 1155 A 55 LYS HEy A 54 GLU HBx 1.0 0.0 5.18 1293 1155 A 54 GLU HBy A 55 LYS HEy 1.0 0.0 5.18 1294 1156 A 55 LYS H A 54 GLU HGy 1.0 0.0 4.58 1295 1156 A 55 LYS H A 54 GLU HGx 1.0 0.0 4.58 1296 1157 A 55 LYS HA A 54 GLU HGy 1.0 0.0 4.92 1297 1157 A 55 LYS HA A 54 GLU HGx 1.0 0.0 4.92 1298 1158 A 54 GLU HGx A 55 LYS HGx 1.0 0.0 4.20 1299 1158 A 54 GLU HGy A 55 LYS HGx 1.0 0.0 4.20 1300 1158 A 55 LYS HGy A 54 GLU HGy 1.0 0.0 4.20 1301 1158 A 55 LYS HGy A 54 GLU HGx 1.0 0.0 4.20 1302 1159 A 55 LYS H A 55 LYS HGx 1.0 0.0 2.94 1303 1159 A 55 LYS H A 55 LYS HGy 1.0 0.0 2.94 1304 1160 A 55 LYS H A 55 LYS HDx 1.0 0.0 4.81 1305 1160 A 55 LYS H A 55 LYS HDy 1.0 0.0 4.81 1306 1161 A 55 LYS HA A 55 LYS HGx 1.0 0.0 3.37 1307 1161 A 55 LYS HA A 55 LYS HGy 1.0 0.0 3.37 1308 1162 A 55 LYS HA A 55 LYS HDx 1.0 0.0 4.08 1309 1162 A 55 LYS HA A 55 LYS HDy 1.0 0.0 4.08 1310 1163 A 55 LYS HA A 55 LYS HEx 1.0 0.0 5.34 1311 1163 A 55 LYS HA A 55 LYS HEy 1.0 0.0 5.34 1312 1164 A 55 LYS HA A 56 GLU HGx 1.0 0.0 5.33 1313 1164 A 55 LYS HA A 56 GLU HGy 1.0 0.0 5.33 1314 1165 A 55 LYS HBy A 55 LYS HEx 1.0 0.0 4.60 1315 1165 A 55 LYS HBy A 55 LYS HEy 1.0 0.0 4.60 1316 1166 A 55 LYS HEx A 55 LYS HGx 1.0 0.0 3.09 1317 1166 A 55 LYS HEy A 55 LYS HGx 1.0 0.0 3.09 1318 1166 A 55 LYS HGy A 55 LYS HEx 1.0 0.0 3.09 1319 1166 A 55 LYS HGy A 55 LYS HEy 1.0 0.0 3.09 1320 1167 A 57 THR HG2% A 55 LYS HEx 1.0 0.0 4.43 1321 1167 A 57 THR HG2% A 55 LYS HEy 1.0 0.0 4.43 1322 1168 A 56 GLU H A 56 GLU HGx 1.0 0.0 3.58 1323 1168 A 56 GLU H A 56 GLU HGy 1.0 0.0 3.58 1324 1169 A 56 GLU HA A 56 GLU HGx 1.0 0.0 3.45 1325 1169 A 56 GLU HA A 56 GLU HGy 1.0 0.0 3.45 1326 1170 A 59 VAL HB A 60 PRO HGy 1.0 0.0 5.03 1327 1170 A 59 VAL HB A 60 PRO HGx 1.0 0.0 5.03 1328 1171 A 63 GLU H A 63 GLU HBy 1.0 0.0 3.64 1329 1171 A 63 GLU H A 63 GLU HBx 1.0 0.0 3.64 1330 1172 A 63 GLU H A 63 GLU HGx 1.0 0.0 4.43 1331 1172 A 63 GLU H A 63 GLU HGy 1.0 0.0 4.43 stop_ save_