data_nef_c18290_2lq3 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLY middle . false 3 A 3 GLN middle . . 4 A 4 GLY middle . false 5 A 5 GLN middle . . 6 A 6 ASN middle . . 7 A 7 VAL middle . . 8 A 8 LEU middle . . 9 A 9 GLY middle . false 10 A 10 GLN middle . . 11 A 11 ASP middle . . 12 A 12 LEU middle . . 13 A 13 GLU middle . . 14 A 14 VAL middle . . 15 A 15 CYS middle . . 16 A 16 CYS middle . . 17 A 17 CYS middle . . 18 A 18 ALA middle . . 19 A 19 PRO middle . false 20 A 20 MET middle . . 21 A 21 THR middle . . 22 A 22 GLY middle . false 23 A 23 TRP middle . . 24 A 24 TYR middle . . 25 A 25 ARG middle . . 26 A 26 ASN middle . . 27 A 27 GLY middle . false 28 A 28 PHE middle . . 29 A 29 CYS middle . . 30 A 30 GLN middle . . 31 A 31 THR middle . . 32 A 32 ASP middle . . 33 A 33 VAL middle . . 34 A 34 GLN middle . . 35 A 35 ASP middle . . 36 A 36 ARG middle . . 37 A 37 GLY middle . false 38 A 38 SER middle . . 39 A 39 HIS middle . . 40 A 40 THR middle . . 41 A 41 VAL middle . . 42 A 42 CYS middle . . 43 A 43 ALA middle . . 44 A 44 GLU middle . . 45 A 45 MET middle . . 46 A 46 THR middle . . 47 A 47 GLU middle . . 48 A 48 GLU middle . . 49 A 49 PHE middle . . 50 A 50 LEU middle . . 51 A 51 LEU middle . . 52 A 52 PHE middle . . 53 A 53 SER middle . . 54 A 54 ARG middle . . 55 A 55 ASP middle . . 56 A 56 ARG middle . . 57 A 57 GLY middle . false 58 A 58 ASN middle . . 59 A 59 ASP middle . . 60 A 60 LEU middle . . 61 A 61 MET middle . . 62 A 62 THR middle . . 63 A 63 PRO middle . false 64 A 64 ARG middle . . 65 A 65 PRO middle . false 66 A 66 GLU middle . . 67 A 67 PHE middle . . 68 A 68 ASN middle . . 69 A 69 PHE middle . . 70 A 70 PRO middle . false 71 A 71 GLY middle . false 72 A 72 LEU middle . . 73 A 73 LYS middle . . 74 A 74 ALA middle . . 75 A 75 GLY middle . false 76 A 76 ASP middle . . 77 A 77 ARG middle . . 78 A 78 TRP middle . . 79 A 79 CYS middle . . 80 A 80 LEU middle . . 81 A 81 CYS middle . . 82 A 82 ALA middle . . 83 A 83 SER middle . . 84 A 84 ARG middle . . 85 A 85 TRP middle . . 86 A 86 GLN middle . . 87 A 87 GLU middle . . 88 A 88 ALA middle . . 89 A 89 PHE middle . . 90 A 90 GLU middle . . 91 A 91 ALA middle . . 92 A 92 GLY middle . false 93 A 93 MET middle . . 94 A 94 ALA middle . . 95 A 95 PRO middle . false 96 A 96 PRO middle . false 97 A 97 VAL middle . . 98 A 98 VAL middle . . 99 A 99 LEU middle . . 100 A 100 GLN middle . . 101 A 101 SER middle . . 102 A 102 THR middle . . 103 A 103 GLU middle . . 104 A 104 LYS middle . . 105 A 105 SER middle . . 106 A 106 ALA middle . . 107 A 107 LEU middle . . 108 A 108 ARG middle . . 109 A 109 TYR middle . . 110 A 110 VAL middle . . 111 A 111 SER middle . . 112 A 112 LEU middle . . 113 A 113 ALA middle . . 114 A 114 ASP middle . . 115 A 115 LEU middle . . 116 A 116 GLN middle . . 117 A 117 ALA middle . . 118 A 118 HIS middle . . 119 A 119 ALA middle . . 120 A 120 LEU middle . . 121 A 121 PRO middle . false 122 A 122 VAL middle . . 123 A 123 LEU middle . . 124 A 124 GLU middle . . 125 A 125 HIS middle . . 126 A 126 HIS middle . . 127 A 127 HIS middle . . 128 A 128 HIS middle . . 129 A 129 HIS middle . . 130 A 130 HIS 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 GLY HAy H 1 3.860 0.020 A 2 GLY HAx H 1 3.758 0.020 A 2 GLY CA C 13 43.466 0.300 A 3 GLN HA H 1 4.196 0.020 A 3 GLN HBx H 1 1.613 0.020 A 3 GLN HBy H 1 1.797 0.020 A 3 GLN HE2y H 1 7.109 0.020 A 3 GLN HE2x H 1 6.548 0.020 A 3 GLN HG2 H 1 1.826 0.020 A 3 GLN HG3 H 1 1.826 0.020 A 3 GLN C C 13 175.145 0.300 A 3 GLN CA C 13 56.208 0.300 A 3 GLN CB C 13 29.366 0.300 A 3 GLN CG C 13 33.127 0.300 A 3 GLN NE2 N 15 111.067 0.300 A 4 GLY H H 1 8.056 0.020 A 4 GLY HAy H 1 4.282 0.020 A 4 GLY HAx H 1 3.958 0.020 A 4 GLY C C 13 173.504 0.300 A 4 GLY CA C 13 44.362 0.300 A 4 GLY N N 15 106.493 0.300 A 5 GLN H H 1 9.429 0.020 A 5 GLN HA H 1 5.100 0.020 A 5 GLN HBy H 1 1.993 0.020 A 5 GLN HBx H 1 1.900 0.020 A 5 GLN HE2y H 1 7.336 0.020 A 5 GLN HE2x H 1 6.781 0.020 A 5 GLN HGy H 1 2.334 0.020 A 5 GLN HGx H 1 2.262 0.020 A 5 GLN C C 13 175.848 0.300 A 5 GLN CA C 13 54.368 0.300 A 5 GLN CB C 13 33.220 0.300 A 5 GLN CG C 13 34.360 0.300 A 5 GLN N N 15 121.588 0.300 A 5 GLN NE2 N 15 111.872 0.300 A 6 ASN H H 1 9.180 0.020 A 6 ASN HA H 1 5.522 0.020 A 6 ASN HBy H 1 3.669 0.020 A 6 ASN HBx H 1 2.502 0.020 A 6 ASN C C 13 178.544 0.300 A 6 ASN CA C 13 50.930 0.300 A 6 ASN CB C 13 41.033 0.300 A 6 ASN N N 15 119.015 0.300 A 7 VAL H H 1 7.362 0.020 A 7 VAL HA H 1 3.863 0.020 A 7 VAL HB H 1 2.381 0.020 A 7 VAL HG1% H 1 0.853 0.020 A 7 VAL HG2% H 1 0.787 0.020 A 7 VAL C C 13 174.441 0.300 A 7 VAL CA C 13 63.628 0.300 A 7 VAL CB C 13 31.710 0.300 A 7 VAL CG1 C 13 23.840 0.300 A 7 VAL CG2 C 13 18.148 0.300 A 7 VAL N N 15 108.144 0.300 A 8 LEU H H 1 7.740 0.020 A 8 LEU HA H 1 4.437 0.020 A 8 LEU HBx H 1 1.638 0.020 A 8 LEU HBy H 1 1.748 0.020 A 8 LEU HD1% H 1 0.832 0.020 A 8 LEU HD2% H 1 0.783 0.020 A 8 LEU HG H 1 1.250 0.020 A 8 LEU C C 13 177.606 0.300 A 8 LEU CA C 13 53.743 0.300 A 8 LEU CB C 13 40.877 0.300 A 8 LEU CD1 C 13 25.032 0.300 A 8 LEU CD2 C 13 21.855 0.300 A 8 LEU CG C 13 26.906 0.300 A 8 LEU N N 15 116.905 0.300 A 9 GLY H H 1 8.184 0.020 A 9 GLY HAy H 1 4.174 0.020 A 9 GLY HAx H 1 3.710 0.020 A 9 GLY C C 13 173.972 0.300 A 9 GLY CA C 13 45.305 0.300 A 9 GLY N N 15 107.294 0.300 A 10 GLN H H 1 7.403 0.020 A 10 GLN HA H 1 4.688 0.020 A 10 GLN HBy H 1 2.353 0.020 A 10 GLN HBx H 1 1.932 0.020 A 10 GLN HGy H 1 2.315 0.020 A 10 GLN HGx H 1 2.245 0.020 A 10 GLN C C 13 174.324 0.300 A 10 GLN CA C 13 53.430 0.300 A 10 GLN CB C 13 30.980 0.300 A 10 GLN CG C 13 33.750 0.300 A 10 GLN N N 15 118.436 0.300 A 11 ASP H H 1 8.419 0.020 A 11 ASP HA H 1 4.512 0.020 A 11 ASP HB2 H 1 2.579 0.020 A 11 ASP HB3 H 1 2.579 0.020 A 11 ASP C C 13 175.731 0.300 A 11 ASP CA C 13 55.930 0.300 A 11 ASP CB C 13 40.460 0.300 A 11 ASP N N 15 119.749 0.300 A 12 LEU H H 1 7.777 0.020 A 12 LEU HA H 1 3.915 0.020 A 12 LEU HBy H 1 1.733 0.020 A 12 LEU HBx H 1 0.779 0.020 A 12 LEU HG H 1 0.890 0.020 A 12 LEU C C 13 175.731 0.300 A 12 LEU CA C 13 55.930 0.300 A 12 LEU CB C 13 43.328 0.300 A 12 LEU CG C 13 26.170 0.300 A 12 LEU N N 15 122.026 0.300 A 13 GLU H H 1 7.964 0.020 A 13 GLU HA H 1 4.653 0.020 A 13 GLU HB2 H 1 2.020 0.020 A 13 GLU HB3 H 1 2.020 0.020 A 13 GLU HGy H 1 2.375 0.020 A 13 GLU HGx H 1 2.275 0.020 A 13 GLU C C 13 175.613 0.300 A 13 GLU CA C 13 54.993 0.300 A 13 GLU CB C 13 30.616 0.300 A 13 GLU CG C 13 36.399 0.300 A 13 GLU N N 15 126.188 0.300 A 14 VAL H H 1 8.477 0.020 A 14 VAL HA H 1 2.143 0.020 A 14 VAL HB H 1 1.372 0.020 A 14 VAL HGx% H 1 0.550 0.020 A 14 VAL HGy% H 1 0.297 0.020 A 14 VAL C C 13 174.774 0.300 A 14 VAL CA C 13 63.014 0.300 A 14 VAL CB C 13 32.178 0.300 A 14 VAL CG1 C 13 19.399 0.300 A 14 VAL CG2 C 13 22.953 0.300 A 14 VAL N N 15 122.978 0.300 A 15 CYS H H 1 8.563 0.020 A 15 CYS HA H 1 5.005 0.020 A 15 CYS HBy H 1 3.506 0.020 A 15 CYS HBx H 1 2.544 0.020 A 15 CYS C C 13 174.374 0.300 A 15 CYS CA C 13 55.930 0.300 A 15 CYS CB C 13 38.612 0.300 A 15 CYS N N 15 126.761 0.300 A 16 CYS H H 1 8.045 0.020 A 16 CYS HA H 1 4.163 0.020 A 16 CYS HB2 H 1 1.924 0.020 A 16 CYS HB3 H 1 1.924 0.020 A 16 CYS C C 13 172.610 0.300 A 16 CYS CA C 13 60.931 0.300 A 16 CYS CB C 13 30.616 0.300 A 16 CYS N N 15 116.879 0.300 A 17 CYS H H 1 9.074 0.020 A 17 CYS HA H 1 5.342 0.020 A 17 CYS HBy H 1 3.138 0.020 A 17 CYS HBx H 1 2.653 0.020 A 17 CYS C C 13 173.152 0.300 A 17 CYS CA C 13 58.118 0.300 A 17 CYS CB C 13 28.698 0.300 A 17 CYS N N 15 124.071 0.300 A 18 ALA H H 1 7.826 0.020 A 18 ALA HA H 1 4.604 0.020 A 18 ALA HB% H 1 1.276 0.020 A 18 ALA C C 13 172.906 0.300 A 18 ALA CA C 13 50.565 0.300 A 18 ALA CB C 13 19.001 0.300 A 18 ALA N N 15 123.634 0.300 A 19 PRO HA H 1 3.904 0.020 A 19 PRO HBy H 1 2.139 0.020 A 19 PRO HBx H 1 1.752 0.020 A 19 PRO HDy H 1 3.903 0.020 A 19 PRO HDx H 1 3.451 0.020 A 19 PRO HGy H 1 2.031 0.020 A 19 PRO HGx H 1 1.935 0.020 A 19 PRO CA C 13 62.985 0.300 A 19 PRO CB C 13 32.719 0.300 A 19 PRO CD C 13 50.675 0.300 A 19 PRO CG C 13 27.421 0.300 A 20 MET H H 1 8.650 0.020 A 20 MET HA H 1 4.154 0.020 A 20 MET HE% H 1 2.212 0.020 A 20 MET C C 13 174.606 0.300 A 20 MET CA C 13 51.868 0.300 A 20 MET CB C 13 31.554 0.300 A 20 MET CE C 13 16.463 0.300 A 20 MET N N 15 117.922 0.300 A 21 THR HA H 1 4.089 0.020 A 21 THR HB H 1 3.821 0.020 A 21 THR HG2% H 1 1.157 0.020 A 21 THR CA C 13 58.403 0.300 A 21 THR CB C 13 70.619 0.300 A 21 THR CG2 C 13 19.331 0.300 A 22 GLY H H 1 3.908 0.020 A 22 GLY HAy H 1 3.826 0.020 A 22 GLY HAx H 1 2.641 0.020 A 22 GLY CA C 13 44.078 0.300 A 22 GLY N N 15 103.763 0.300 A 23 TRP H H 1 8.308 0.020 A 23 TRP HE1 H 1 9.839 0.020 A 23 TRP HH2 H 1 7.149 0.020 A 23 TRP HZ2 H 1 7.212 0.020 A 23 TRP CA C 13 55.962 0.300 A 23 TRP CB C 13 30.502 0.300 A 23 TRP CH2 C 13 124.320 0.300 A 23 TRP CZ2 C 13 114.000 0.300 A 23 TRP N N 15 119.761 0.300 A 23 TRP NE1 N 15 127.979 0.300 A 24 TYR H H 1 9.285 0.020 A 24 TYR HA H 1 4.305 0.020 A 24 TYR HBy H 1 2.783 0.020 A 24 TYR HBx H 1 2.612 0.020 A 24 TYR HD1 H 1 7.192 0.020 A 24 TYR HD2 H 1 7.192 0.020 A 24 TYR HE1 H 1 6.837 0.020 A 24 TYR HE2 H 1 6.837 0.020 A 24 TYR CA C 13 56.868 0.300 A 24 TYR CD1 C 13 132.802 0.300 A 24 TYR CE1 C 13 118.782 0.300 A 24 TYR N N 15 113.135 0.300 A 25 ARG H H 1 8.315 0.020 A 25 ARG HA H 1 3.515 0.020 A 25 ARG CA C 13 55.358 0.300 A 25 ARG CB C 13 26.877 0.300 A 25 ARG N N 15 115.708 0.300 A 26 ASN H H 1 7.408 0.020 A 26 ASN HA H 1 5.014 0.020 A 26 ASN HBy H 1 3.465 0.020 A 26 ASN HBx H 1 2.680 0.020 A 26 ASN HD2y H 1 7.687 0.020 A 26 ASN HD2x H 1 6.970 0.020 A 26 ASN C C 13 176.430 0.300 A 26 ASN CA C 13 51.439 0.300 A 26 ASN CB C 13 39.142 0.300 A 26 ASN N N 15 111.526 0.300 A 26 ASN ND2 N 15 112.074 0.300 A 27 GLY H H 1 8.812 0.020 A 27 GLY HAy H 1 4.182 0.020 A 27 GLY HAx H 1 3.950 0.020 A 27 GLY C C 13 174.676 0.300 A 27 GLY CA C 13 45.304 0.300 A 27 GLY N N 15 108.208 0.300 A 28 PHE H H 1 8.076 0.020 A 28 PHE HA H 1 4.606 0.020 A 28 PHE HBy H 1 3.184 0.020 A 28 PHE HBx H 1 2.788 0.020 A 28 PHE HD1 H 1 6.874 0.020 A 28 PHE HD2 H 1 6.874 0.020 A 28 PHE C C 13 176.016 0.300 A 28 PHE CA C 13 56.868 0.300 A 28 PHE CB C 13 42.492 0.300 A 28 PHE CD1 C 13 131.304 0.300 A 28 PHE N N 15 119.581 0.300 A 29 CYS H H 1 10.377 0.020 A 29 CYS HA H 1 5.748 0.020 A 29 CYS HBy H 1 3.939 0.020 A 29 CYS HBx H 1 2.711 0.020 A 29 CYS C C 13 174.995 0.300 A 29 CYS CA C 13 52.180 0.300 A 29 CYS CB C 13 32.127 0.300 A 29 CYS N N 15 122.939 0.300 A 30 GLN H H 1 6.785 0.020 A 30 GLN HA H 1 4.301 0.020 A 30 GLN HB2 H 1 2.285 0.020 A 30 GLN HB3 H 1 2.285 0.020 A 30 GLN HGy H 1 2.548 0.020 A 30 GLN HGx H 1 2.397 0.020 A 30 GLN C C 13 176.071 0.300 A 30 GLN CA C 13 55.618 0.300 A 30 GLN CB C 13 30.824 0.300 A 30 GLN CG C 13 34.558 0.300 A 30 GLN N N 15 114.538 0.300 A 31 THR H H 1 8.930 0.020 A 31 THR HA H 1 4.656 0.020 A 31 THR HB H 1 3.614 0.020 A 31 THR HG2% H 1 0.904 0.020 A 31 THR C C 13 171.644 0.300 A 31 THR CA C 13 59.993 0.300 A 31 THR CB C 13 69.994 0.300 A 31 THR CG2 C 13 18.198 0.300 A 31 THR N N 15 116.377 0.300 A 32 ASP H H 1 8.077 0.020 A 32 ASP HA H 1 4.723 0.020 A 32 ASP HBy H 1 3.194 0.020 A 32 ASP HBx H 1 3.081 0.020 A 32 ASP C C 13 176.540 0.300 A 32 ASP CA C 13 53.430 0.300 A 32 ASP CB C 13 44.404 0.300 A 32 ASP N N 15 118.964 0.300 A 33 VAL H H 1 8.284 0.020 A 33 VAL HA H 1 3.880 0.020 A 33 VAL HB H 1 2.148 0.020 A 33 VAL HG1% H 1 1.001 0.020 A 33 VAL HG2% H 1 1.001 0.020 A 33 VAL C C 13 177.020 0.300 A 33 VAL CA C 13 64.519 0.300 A 33 VAL CB C 13 31.753 0.300 A 33 VAL CG1 C 13 20.545 0.300 A 33 VAL N N 15 118.886 0.300 A 34 GLN H H 1 8.667 0.020 A 34 GLN HA H 1 4.146 0.020 A 34 GLN HB2 H 1 2.438 0.020 A 34 GLN HB3 H 1 2.438 0.020 A 34 GLN HGy H 1 2.592 0.020 A 34 GLN HGx H 1 2.453 0.020 A 34 GLN C C 13 176.254 0.300 A 34 GLN CA C 13 57.034 0.300 A 34 GLN CB C 13 28.595 0.300 A 34 GLN CG C 13 34.487 0.300 A 34 GLN N N 15 117.857 0.300 A 35 ASP H H 1 7.252 0.020 A 35 ASP C C 13 176.595 0.300 A 35 ASP CA C 13 51.243 0.300 A 35 ASP CB C 13 36.554 0.300 A 35 ASP N N 15 118.475 0.300 A 36 ARG H H 1 7.684 0.020 A 36 ARG HA H 1 3.860 0.020 A 36 ARG HBy H 1 1.854 0.020 A 36 ARG HBx H 1 1.771 0.020 A 36 ARG HD2 H 1 3.235 0.020 A 36 ARG HD3 H 1 3.235 0.020 A 36 ARG HGy H 1 1.723 0.020 A 36 ARG HGx H 1 1.656 0.020 A 36 ARG CA C 13 58.357 0.300 A 36 ARG CB C 13 29.383 0.300 A 36 ARG CD C 13 42.815 0.300 A 36 ARG CG C 13 27.095 0.300 A 36 ARG N N 15 125.550 0.300 A 37 GLY H H 1 8.851 0.020 A 37 GLY HAy H 1 3.816 0.020 A 37 GLY HAx H 1 3.458 0.020 A 37 GLY C C 13 173.725 0.300 A 37 GLY CA C 13 45.305 0.300 A 37 GLY N N 15 105.802 0.300 A 38 SER H H 1 7.400 0.020 A 38 SER HA H 1 3.545 0.020 A 38 SER HBy H 1 4.202 0.020 A 38 SER HBx H 1 3.417 0.020 A 38 SER C C 13 174.374 0.300 A 38 SER CA C 13 58.832 0.300 A 38 SER CB C 13 60.931 0.300 A 38 SER N N 15 115.265 0.300 A 40 THR HA H 1 4.522 0.020 A 40 THR HB H 1 4.510 0.020 A 40 THR HG2% H 1 1.069 0.020 A 40 THR CA C 13 61.861 0.300 A 40 THR CB C 13 71.081 0.300 A 40 THR CG2 C 13 23.395 0.300 A 41 VAL HA H 1 4.184 0.020 A 41 VAL HB H 1 1.858 0.020 A 41 VAL HG1% H 1 0.713 0.020 A 41 VAL HG2% H 1 0.266 0.020 A 41 VAL C C 13 174.194 0.300 A 41 VAL CA C 13 61.689 0.300 A 41 VAL CB C 13 33.065 0.300 A 41 VAL CG1 C 13 20.908 0.300 A 41 VAL CG2 C 13 20.835 0.300 A 42 CYS H H 1 7.960 0.020 A 42 CYS HA H 1 4.934 0.020 A 42 CYS HBy H 1 3.125 0.020 A 42 CYS HBx H 1 2.719 0.020 A 42 CYS C C 13 171.863 0.300 A 42 CYS CA C 13 55.305 0.300 A 42 CYS CB C 13 39.054 0.300 A 42 CYS N N 15 128.125 0.300 A 43 ALA H H 1 8.941 0.020 A 43 ALA HA H 1 5.482 0.020 A 43 ALA HB% H 1 1.108 0.020 A 43 ALA C C 13 174.967 0.300 A 43 ALA CA C 13 49.367 0.300 A 43 ALA CB C 13 23.412 0.300 A 43 ALA N N 15 131.843 0.300 A 44 GLU H H 1 8.506 0.020 A 44 GLU HA H 1 4.794 0.020 A 44 GLU HB2 H 1 1.996 0.020 A 44 GLU HB3 H 1 1.996 0.020 A 44 GLU HG2 H 1 2.037 0.020 A 44 GLU HG3 H 1 2.037 0.020 A 44 GLU C C 13 174.884 0.300 A 44 GLU CA C 13 54.680 0.300 A 44 GLU CB C 13 32.588 0.300 A 44 GLU CG C 13 37.945 0.300 A 44 GLU N N 15 120.186 0.300 A 45 MET H H 1 9.460 0.020 A 45 MET HA H 1 4.442 0.020 A 45 MET HBy H 1 2.696 0.020 A 45 MET HBx H 1 1.584 0.020 A 45 MET HE% H 1 2.138 0.020 A 45 MET HGy H 1 2.832 0.020 A 45 MET HGx H 1 2.779 0.020 A 45 MET C C 13 177.723 0.300 A 45 MET CA C 13 56.243 0.300 A 45 MET CB C 13 36.554 0.300 A 45 MET CE C 13 22.320 0.300 A 45 MET CG C 13 33.602 0.300 A 45 MET N N 15 120.675 0.300 A 46 THR H H 1 6.901 0.020 A 46 THR HA H 1 4.794 0.020 A 46 THR HB H 1 4.708 0.020 A 46 THR HG2% H 1 1.454 0.020 A 46 THR C C 13 174.207 0.300 A 46 THR CA C 13 57.805 0.300 A 46 THR CB C 13 71.556 0.300 A 46 THR CG2 C 13 22.049 0.300 A 46 THR N N 15 110.714 0.300 A 47 GLU H H 1 9.691 0.020 A 47 GLU HA H 1 4.075 0.020 A 47 GLU HB2 H 1 2.101 0.020 A 47 GLU HB3 H 1 2.101 0.020 A 47 GLU HGx H 1 2.289 0.020 A 47 GLU HGy H 1 2.355 0.020 A 47 GLU C C 13 178.309 0.300 A 47 GLU CA C 13 60.159 0.300 A 47 GLU CB C 13 29.483 0.300 A 47 GLU CG C 13 36.178 0.300 A 47 GLU N N 15 124.844 0.300 A 48 GLU H H 1 9.292 0.020 A 48 GLU HA H 1 4.073 0.020 A 48 GLU HBy H 1 2.122 0.020 A 48 GLU HBx H 1 2.087 0.020 A 48 GLU HGy H 1 2.469 0.020 A 48 GLU HGx H 1 2.339 0.020 A 48 GLU C C 13 179.364 0.300 A 48 GLU CA C 13 59.993 0.300 A 48 GLU CB C 13 28.741 0.300 A 48 GLU CG C 13 36.498 0.300 A 48 GLU N N 15 116.377 0.300 A 49 PHE H H 1 8.228 0.020 A 49 PHE HA H 1 4.372 0.020 A 49 PHE HBy H 1 3.456 0.020 A 49 PHE HBx H 1 2.964 0.020 A 49 PHE HD1 H 1 7.311 0.020 A 49 PHE HD2 H 1 7.311 0.020 A 49 PHE C C 13 177.606 0.300 A 49 PHE CA C 13 61.243 0.300 A 49 PHE CB C 13 39.601 0.300 A 49 PHE CD2 C 13 131.816 0.300 A 49 PHE N N 15 119.915 0.300 A 50 LEU H H 1 8.588 0.020 A 50 LEU HA H 1 3.687 0.020 A 50 LEU HBy H 1 2.111 0.020 A 50 LEU HBx H 1 1.461 0.020 A 50 LEU HD1% H 1 0.762 0.020 A 50 LEU HD2% H 1 0.606 0.020 A 50 LEU HG H 1 1.896 0.020 A 50 LEU C C 13 180.100 0.300 A 50 LEU CA C 13 58.430 0.300 A 50 LEU CB C 13 40.851 0.300 A 50 LEU CD1 C 13 24.427 0.300 A 50 LEU CD2 C 13 25.121 0.300 A 50 LEU CG C 13 27.274 0.300 A 50 LEU N N 15 123.184 0.300 A 51 LEU H H 1 8.348 0.020 A 51 LEU HA H 1 3.975 0.020 A 51 LEU HBy H 1 1.843 0.020 A 51 LEU HBx H 1 1.576 0.020 A 51 LEU HD1% H 1 0.835 0.020 A 51 LEU HD2% H 1 0.895 0.020 A 51 LEU HG H 1 1.813 0.020 A 51 LEU C C 13 178.544 0.300 A 51 LEU CA C 13 58.024 0.300 A 51 LEU CB C 13 41.242 0.300 A 51 LEU CD1 C 13 22.490 0.300 A 51 LEU CD2 C 13 25.066 0.300 A 51 LEU CG C 13 26.685 0.300 A 51 LEU N N 15 121.035 0.300 A 52 PHE H H 1 7.996 0.020 A 52 PHE HA H 1 4.243 0.020 A 52 PHE HBy H 1 3.323 0.020 A 52 PHE HBx H 1 3.098 0.020 A 52 PHE HD1 H 1 7.085 0.020 A 52 PHE HD2 H 1 7.085 0.020 A 52 PHE C C 13 179.024 0.300 A 52 PHE CA C 13 61.488 0.300 A 52 PHE CB C 13 39.367 0.300 A 52 PHE CD1 C 13 131.387 0.300 A 52 PHE N N 15 120.893 0.300 A 53 SER H H 1 8.981 0.020 A 53 SER HA H 1 4.308 0.020 A 53 SER C C 13 177.489 0.300 A 53 SER CA C 13 61.556 0.300 A 53 SER N N 15 117.407 0.300 A 54 ARG H H 1 7.614 0.020 A 54 ARG HA H 1 3.458 0.020 A 54 ARG HBy H 1 2.136 0.020 A 54 ARG HBx H 1 1.967 0.020 A 54 ARG HDy H 1 3.193 0.020 A 54 ARG HDx H 1 3.104 0.020 A 54 ARG HGy H 1 1.643 0.020 A 54 ARG HGx H 1 1.535 0.020 A 54 ARG C C 13 179.012 0.300 A 54 ARG CA C 13 60.102 0.300 A 54 ARG CB C 13 29.543 0.300 A 54 ARG CD C 13 43.464 0.300 A 54 ARG CG C 13 26.085 0.300 A 54 ARG N N 15 122.566 0.300 A 55 ASP H H 1 7.867 0.020 A 55 ASP HA H 1 4.372 0.020 A 55 ASP HBy H 1 2.590 0.020 A 55 ASP HBx H 1 2.438 0.020 A 55 ASP C C 13 176.199 0.300 A 55 ASP CA C 13 56.243 0.300 A 55 ASP CB C 13 39.679 0.300 A 55 ASP N N 15 119.607 0.300 A 56 ARG H H 1 7.392 0.020 A 56 ARG HA H 1 4.407 0.020 A 56 ARG HBy H 1 3.493 0.020 A 56 ARG HBx H 1 2.247 0.020 A 56 ARG C C 13 174.207 0.300 A 56 ARG CA C 13 55.930 0.300 A 56 ARG CB C 13 27.179 0.300 A 56 ARG N N 15 115.824 0.300 A 57 GLY H H 1 7.543 0.020 A 57 GLY HAy H 1 4.196 0.020 A 57 GLY HAx H 1 3.774 0.020 A 57 GLY C C 13 173.152 0.300 A 57 GLY CA C 13 46.147 0.300 A 57 GLY N N 15 106.085 0.300 A 58 ASN H H 1 8.326 0.020 A 58 ASN HA H 1 4.934 0.020 A 58 ASN HBy H 1 2.951 0.020 A 58 ASN HBx H 1 1.971 0.020 A 58 ASN C C 13 172.870 0.300 A 58 ASN CA C 13 50.618 0.300 A 58 ASN CB C 13 37.846 0.300 A 58 ASN N N 15 120.494 0.300 A 59 ASP H H 1 8.605 0.020 A 59 ASP HA H 1 4.231 0.020 A 59 ASP HBy H 1 2.992 0.020 A 59 ASP HBx H 1 2.644 0.020 A 59 ASP C C 13 176.181 0.300 A 59 ASP CA C 13 54.055 0.300 A 59 ASP CB C 13 39.679 0.300 A 59 ASP N N 15 121.086 0.300 A 60 LEU H H 1 8.612 0.020 A 60 LEU HA H 1 4.477 0.020 A 60 LEU HBy H 1 1.593 0.020 A 60 LEU HBx H 1 1.542 0.020 A 60 LEU C C 13 176.199 0.300 A 60 LEU CA C 13 54.055 0.300 A 60 LEU CB C 13 42.808 0.300 A 60 LEU CG C 13 29.040 0.300 A 60 LEU N N 15 128.367 0.300 A 61 MET H H 1 8.580 0.020 A 61 MET HE% H 1 2.054 0.020 A 61 MET C C 13 177.137 0.300 A 61 MET CA C 13 57.805 0.300 A 61 MET CB C 13 35.617 0.300 A 61 MET CE C 13 16.275 0.300 A 61 MET N N 15 118.501 0.300 A 62 THR H H 1 8.386 0.020 A 62 THR HA H 1 4.269 0.020 A 62 THR HB H 1 3.943 0.020 A 62 THR HG2% H 1 1.296 0.020 A 62 THR C C 13 172.571 0.300 A 62 THR CA C 13 61.567 0.300 A 62 THR CB C 13 69.073 0.300 A 62 THR CG2 C 13 21.173 0.300 A 62 THR N N 15 120.521 0.300 A 63 PRO HDy H 1 4.189 0.020 A 63 PRO HDx H 1 3.651 0.020 A 63 PRO HGy H 1 2.028 0.020 A 63 PRO HGx H 1 1.941 0.020 A 63 PRO CD C 13 51.118 0.300 A 63 PRO CG C 13 27.421 0.300 A 64 ARG HA H 1 5.027 0.020 A 64 ARG HBy H 1 2.096 0.020 A 64 ARG HBx H 1 1.728 0.020 A 64 ARG HD2 H 1 3.270 0.020 A 64 ARG HD3 H 1 3.270 0.020 A 64 ARG HGy H 1 1.820 0.020 A 64 ARG HGx H 1 1.714 0.020 A 64 ARG CA C 13 51.927 0.300 A 64 ARG CB C 13 31.615 0.300 A 64 ARG CD C 13 42.801 0.300 A 64 ARG CG C 13 25.610 0.300 A 65 PRO HA H 1 4.358 0.020 A 65 PRO HBy H 1 2.386 0.020 A 65 PRO HBx H 1 2.005 0.020 A 65 PRO HDy H 1 3.958 0.020 A 65 PRO HDx H 1 3.380 0.020 A 65 PRO HGy H 1 2.097 0.020 A 65 PRO HGx H 1 2.019 0.020 A 65 PRO CA C 13 64.974 0.300 A 65 PRO CB C 13 31.615 0.300 A 65 PRO CD C 13 50.675 0.300 A 65 PRO CG C 13 27.126 0.300 A 66 GLU H H 1 10.537 0.020 A 66 GLU HA H 1 4.104 0.020 A 66 GLU HBy H 1 1.742 0.020 A 66 GLU HBx H 1 1.704 0.020 A 66 GLU HGy H 1 1.924 0.020 A 66 GLU HGx H 1 1.482 0.020 A 66 GLU CA C 13 58.743 0.300 A 66 GLU CB C 13 27.779 0.300 A 66 GLU CG C 13 35.112 0.300 A 66 GLU N N 15 121.228 0.300 A 67 PHE H H 1 7.579 0.020 A 67 PHE HA H 1 5.017 0.020 A 67 PHE HB2 H 1 2.675 0.020 A 67 PHE HB3 H 1 2.675 0.020 A 67 PHE CA C 13 55.305 0.300 A 67 PHE CB C 13 39.670 0.300 A 67 PHE N N 15 117.849 0.300 A 68 ASN H H 1 8.302 0.020 A 68 ASN HA H 1 4.370 0.020 A 68 ASN HBy H 1 3.194 0.020 A 68 ASN HBx H 1 2.802 0.020 A 68 ASN HD2y H 1 7.564 0.020 A 68 ASN HD2x H 1 6.872 0.020 A 68 ASN C C 13 173.738 0.300 A 68 ASN CA C 13 54.101 0.300 A 68 ASN CB C 13 37.155 0.300 A 68 ASN N N 15 117.393 0.300 A 68 ASN ND2 N 15 112.028 0.300 A 69 PHE H H 1 7.659 0.020 A 69 PHE HA H 1 5.436 0.020 A 69 PHE HBy H 1 3.194 0.020 A 69 PHE HBx H 1 3.046 0.020 A 69 PHE C C 13 175.662 0.300 A 69 PHE CA C 13 53.573 0.300 A 69 PHE CB C 13 41.182 0.300 A 69 PHE N N 15 117.651 0.300 A 70 PRO HA H 1 4.324 0.020 A 70 PRO HBy H 1 2.131 0.020 A 70 PRO HBx H 1 1.922 0.020 A 70 PRO HDy H 1 3.937 0.020 A 70 PRO HDx H 1 3.229 0.020 A 70 PRO HGy H 1 1.989 0.020 A 70 PRO HGx H 1 1.412 0.020 A 70 PRO CA C 13 63.722 0.300 A 70 PRO CB C 13 32.523 0.300 A 70 PRO CD C 13 51.220 0.300 A 70 PRO CG C 13 25.833 0.300 A 72 LEU HA H 1 4.618 0.020 A 72 LEU HBy H 1 1.537 0.020 A 72 LEU HBx H 1 1.227 0.020 A 72 LEU HD1% H 1 0.399 0.020 A 72 LEU HD2% H 1 0.399 0.020 A 72 LEU HG H 1 0.471 0.020 A 72 LEU C C 13 175.613 0.300 A 72 LEU CA C 13 53.430 0.300 A 72 LEU CB C 13 44.788 0.300 A 72 LEU CD1 C 13 22.431 0.300 A 72 LEU CG C 13 26.243 0.300 A 73 LYS H H 1 8.759 0.020 A 73 LYS HA H 1 4.432 0.020 A 73 LYS HB2 H 1 1.688 0.020 A 73 LYS HB3 H 1 1.688 0.020 A 73 LYS HD2 H 1 1.611 0.020 A 73 LYS HD3 H 1 1.611 0.020 A 73 LYS HE2 H 1 2.982 0.020 A 73 LYS HE3 H 1 2.982 0.020 A 73 LYS HGy H 1 1.414 0.020 A 73 LYS HGx H 1 1.207 0.020 A 73 LYS C C 13 175.613 0.300 A 73 LYS CA C 13 53.091 0.300 A 73 LYS CB C 13 35.861 0.300 A 73 LYS CD C 13 28.784 0.300 A 73 LYS CE C 13 42.204 0.300 A 73 LYS CG C 13 23.447 0.300 A 73 LYS N N 15 118.694 0.300 A 74 ALA H H 1 8.696 0.020 A 74 ALA HA H 1 3.553 0.020 A 74 ALA HB% H 1 1.388 0.020 A 74 ALA C C 13 178.192 0.300 A 74 ALA CA C 13 53.539 0.300 A 74 ALA CB C 13 17.688 0.300 A 74 ALA N N 15 122.013 0.300 A 75 GLY H H 1 8.628 0.020 A 75 GLY HAy H 1 4.547 0.020 A 75 GLY HAx H 1 3.588 0.020 A 75 GLY C C 13 174.676 0.300 A 75 GLY CA C 13 44.857 0.300 A 75 GLY N N 15 111.462 0.300 A 76 ASP H H 1 8.047 0.020 A 76 ASP HA H 1 4.864 0.020 A 76 ASP HBy H 1 2.893 0.020 A 76 ASP HBx H 1 2.694 0.020 A 76 ASP C C 13 175.905 0.300 A 76 ASP CA C 13 55.305 0.300 A 76 ASP CB C 13 41.867 0.300 A 76 ASP N N 15 120.945 0.300 A 77 ARG H H 1 7.388 0.020 A 77 ARG HA H 1 5.820 0.020 A 77 ARG HB2 H 1 1.810 0.020 A 77 ARG HB3 H 1 1.810 0.020 A 77 ARG HG2 H 1 2.169 0.020 A 77 ARG HG3 H 1 2.169 0.020 A 77 ARG C C 13 173.640 0.300 A 77 ARG CA C 13 54.929 0.300 A 77 ARG CB C 13 32.966 0.300 A 77 ARG CG C 13 27.494 0.300 A 77 ARG N N 15 120.649 0.300 A 78 TRP H H 1 8.777 0.020 A 78 TRP HA H 1 4.808 0.020 A 78 TRP HBy H 1 3.335 0.020 A 78 TRP HBx H 1 2.856 0.020 A 78 TRP HD1 H 1 6.994 0.020 A 78 TRP HE1 H 1 10.767 0.020 A 78 TRP HZ2 H 1 7.732 0.020 A 78 TRP CA C 13 55.930 0.300 A 78 TRP CB C 13 36.067 0.300 A 78 TRP CD1 C 13 128.150 0.300 A 78 TRP CH2 C 13 124.729 0.300 A 78 TRP CZ2 C 13 115.278 0.300 A 78 TRP N N 15 116.853 0.300 A 78 TRP NE1 N 15 130.959 0.300 A 80 LEU H H 1 9.512 0.020 A 80 LEU HA H 1 4.728 0.020 A 80 LEU HBx H 1 1.673 0.020 A 80 LEU HBy H 1 1.770 0.020 A 80 LEU HDx% H 1 0.885 0.020 A 80 LEU HDy% H 1 1.237 0.020 A 80 LEU HG H 1 2.095 0.020 A 80 LEU C C 13 177.929 0.300 A 80 LEU CA C 13 53.472 0.300 A 80 LEU CB C 13 45.452 0.300 A 80 LEU CD1 C 13 27.771 0.300 A 80 LEU CD2 C 13 24.308 0.300 A 80 LEU CG C 13 26.468 0.300 A 80 LEU N N 15 126.694 0.300 A 82 ALA H H 1 8.704 0.020 A 82 ALA HA H 1 3.950 0.020 A 82 ALA HB% H 1 1.497 0.020 A 82 ALA C C 13 179.603 0.300 A 82 ALA CA C 13 56.243 0.300 A 82 ALA CB C 13 17.621 0.300 A 82 ALA N N 15 131.662 0.300 A 83 SER H H 1 9.008 0.020 A 83 SER HA H 1 4.192 0.020 A 83 SER HBy H 1 3.820 0.020 A 83 SER HBx H 1 3.729 0.020 A 83 SER C C 13 177.723 0.300 A 83 SER CA C 13 60.618 0.300 A 83 SER CB C 13 61.769 0.300 A 83 SER N N 15 110.305 0.300 A 84 ARG H H 1 7.204 0.020 A 84 ARG HA H 1 4.372 0.020 A 84 ARG HB2 H 1 2.163 0.020 A 84 ARG HB3 H 1 2.163 0.020 A 84 ARG C C 13 180.045 0.300 A 84 ARG CA C 13 56.868 0.300 A 84 ARG CB C 13 29.679 0.300 A 84 ARG N N 15 121.588 0.300 A 85 TRP H H 1 8.010 0.020 A 85 TRP HA H 1 3.784 0.020 A 85 TRP HB2 H 1 3.575 0.020 A 85 TRP HB3 H 1 3.575 0.020 A 85 TRP HD1 H 1 6.409 0.020 A 85 TRP HE1 H 1 9.971 0.020 A 85 TRP HH2 H 1 6.378 0.020 A 85 TRP HZ2 H 1 6.790 0.020 A 85 TRP C C 13 177.254 0.300 A 85 TRP CA C 13 64.301 0.300 A 85 TRP CB C 13 28.225 0.300 A 85 TRP CD1 C 13 122.777 0.300 A 85 TRP CH2 C 13 123.911 0.300 A 85 TRP CZ2 C 13 113.408 0.300 A 85 TRP N N 15 123.042 0.300 A 85 TRP NE1 N 15 128.683 0.300 A 86 GLN H H 1 8.419 0.020 A 86 GLN HA H 1 4.074 0.020 A 86 GLN HBy H 1 2.498 0.020 A 86 GLN HBx H 1 2.123 0.020 A 86 GLN HE2y H 1 8.019 0.020 A 86 GLN HE2x H 1 6.467 0.020 A 86 GLN HGy H 1 2.659 0.020 A 86 GLN HGx H 1 2.453 0.020 A 86 GLN C C 13 177.489 0.300 A 86 GLN CA C 13 58.607 0.300 A 86 GLN CB C 13 27.043 0.300 A 86 GLN CG C 13 31.650 0.300 A 86 GLN N N 15 118.685 0.300 A 86 GLN NE2 N 15 108.170 0.300 A 87 GLU H H 1 8.015 0.020 A 87 GLU HA H 1 4.045 0.020 A 87 GLU HB2 H 1 2.252 0.020 A 87 GLU HB3 H 1 2.252 0.020 A 87 GLU HG2 H 1 2.374 0.020 A 87 GLU HG3 H 1 2.374 0.020 A 87 GLU C C 13 178.661 0.300 A 87 GLU CA C 13 58.743 0.300 A 87 GLU CB C 13 30.793 0.300 A 87 GLU CG C 13 36.252 0.300 A 87 GLU N N 15 118.938 0.300 A 88 ALA H H 1 7.258 0.020 A 88 ALA HA H 1 3.383 0.020 A 88 ALA HB% H 1 1.142 0.020 A 88 ALA C C 13 179.012 0.300 A 88 ALA CA C 13 54.232 0.300 A 88 ALA CB C 13 17.491 0.300 A 88 ALA N N 15 120.610 0.300 A 89 PHE H H 1 8.525 0.020 A 89 PHE HA H 1 3.537 0.020 A 89 PHE HB2 H 1 2.813 0.020 A 89 PHE HB3 H 1 2.813 0.020 A 89 PHE HD1 H 1 6.731 0.020 A 89 PHE HD2 H 1 6.731 0.020 A 89 PHE HE1 H 1 7.386 0.020 A 89 PHE HE2 H 1 7.386 0.020 A 89 PHE C C 13 179.716 0.300 A 89 PHE CA C 13 60.618 0.300 A 89 PHE CB C 13 37.736 0.300 A 89 PHE CD1 C 13 131.033 0.300 A 89 PHE CE1 C 13 130.993 0.300 A 89 PHE N N 15 121.743 0.300 A 90 GLU H H 1 8.513 0.020 A 90 GLU HA H 1 3.646 0.020 A 90 GLU HB2 H 1 2.004 0.020 A 90 GLU HB3 H 1 2.004 0.020 A 90 GLU HGy H 1 2.748 0.020 A 90 GLU HGx H 1 2.365 0.020 A 90 GLU C C 13 176.785 0.300 A 90 GLU CA C 13 58.805 0.300 A 90 GLU CB C 13 28.986 0.300 A 90 GLU CG C 13 36.988 0.300 A 90 GLU N N 15 121.009 0.300 A 91 ALA H H 1 6.865 0.020 A 91 ALA HA H 1 4.348 0.020 A 91 ALA HB% H 1 1.208 0.020 A 91 ALA C C 13 177.137 0.300 A 91 ALA CA C 13 51.378 0.300 A 91 ALA CB C 13 20.345 0.300 A 91 ALA N N 15 118.655 0.300 A 92 GLY H H 1 7.537 0.020 A 92 GLY HAy H 1 3.915 0.020 A 92 GLY HAx H 1 3.691 0.020 A 92 GLY C C 13 175.145 0.300 A 92 GLY CA C 13 45.903 0.300 A 92 GLY N N 15 107.551 0.300 A 93 MET H H 1 7.720 0.020 A 93 MET HA H 1 4.547 0.020 A 93 MET HBy H 1 1.770 0.020 A 93 MET HBx H 1 0.705 0.020 A 93 MET HE% H 1 2.030 0.020 A 93 MET HGy H 1 2.157 0.020 A 93 MET HGx H 1 1.941 0.020 A 93 MET C C 13 175.262 0.300 A 93 MET CA C 13 52.805 0.300 A 93 MET CB C 13 33.180 0.300 A 93 MET CE C 13 18.132 0.300 A 93 MET CG C 13 31.730 0.300 A 93 MET N N 15 117.818 0.300 A 94 ALA H H 1 7.656 0.020 A 94 ALA HA H 1 3.400 0.020 A 94 ALA HB% H 1 0.183 0.020 A 94 ALA C C 13 175.353 0.300 A 94 ALA CA C 13 50.305 0.300 A 94 ALA CB C 13 15.733 0.300 A 94 ALA N N 15 122.450 0.300 A 96 PRO HA H 1 5.107 0.020 A 96 PRO HBy H 1 2.370 0.020 A 96 PRO HBx H 1 1.820 0.020 A 96 PRO HDy H 1 4.325 0.020 A 96 PRO HDx H 1 3.846 0.020 A 96 PRO HGy H 1 2.168 0.020 A 96 PRO HGx H 1 2.089 0.020 A 96 PRO C C 13 175.965 0.300 A 96 PRO CA C 13 62.521 0.300 A 96 PRO CB C 13 33.087 0.300 A 96 PRO CD C 13 50.308 0.300 A 96 PRO CG C 13 27.494 0.300 A 97 VAL H H 1 8.232 0.020 A 97 VAL HA H 1 4.838 0.020 A 97 VAL HB H 1 1.548 0.020 A 97 VAL HG1% H 1 0.568 0.020 A 97 VAL HG2% H 1 0.439 0.020 A 97 VAL C C 13 174.953 0.300 A 97 VAL CA C 13 60.306 0.300 A 97 VAL CB C 13 35.217 0.300 A 97 VAL CG1 C 13 21.445 0.300 A 97 VAL CG2 C 13 21.962 0.300 A 97 VAL N N 15 116.185 0.300 A 98 VAL H H 1 8.751 0.020 A 98 VAL HA H 1 4.407 0.020 A 98 VAL HB H 1 1.765 0.020 A 98 VAL HG1% H 1 0.901 0.020 A 98 VAL HG2% H 1 0.762 0.020 A 98 VAL C C 13 178.831 0.300 A 98 VAL CA C 13 60.306 0.300 A 98 VAL CB C 13 30.953 0.300 A 98 VAL CG1 C 13 22.294 0.300 A 98 VAL CG2 C 13 19.939 0.300 A 98 VAL N N 15 125.198 0.300 A 99 LEU H H 1 9.300 0.020 A 99 LEU HA H 1 3.539 0.020 A 99 LEU HBy H 1 1.702 0.020 A 99 LEU HBx H 1 1.254 0.020 A 99 LEU HD1% H 1 0.577 0.020 A 99 LEU HD2% H 1 0.577 0.020 A 99 LEU HG H 1 0.847 0.020 A 99 LEU C C 13 178.895 0.300 A 99 LEU CA C 13 59.056 0.300 A 99 LEU CB C 13 41.867 0.300 A 99 LEU CD1 C 13 23.838 0.300 A 99 LEU CG C 13 26.563 0.300 A 99 LEU N N 15 132.824 0.300 A 100 GLN H H 1 9.512 0.020 A 100 GLN HA H 1 4.161 0.020 A 100 GLN HB2 H 1 2.016 0.020 A 100 GLN HB3 H 1 2.016 0.020 A 100 GLN HE2y H 1 7.823 0.020 A 100 GLN HE2x H 1 7.104 0.020 A 100 GLN HGy H 1 2.563 0.020 A 100 GLN HGx H 1 2.437 0.020 A 100 GLN C C 13 176.434 0.300 A 100 GLN CA C 13 57.619 0.300 A 100 GLN CB C 13 26.908 0.300 A 100 GLN CG C 13 33.823 0.300 A 100 GLN N N 15 113.174 0.300 A 100 GLN NE2 N 15 113.048 0.300 A 101 SER H H 1 7.152 0.020 A 101 SER HA H 1 4.934 0.020 A 101 SER HBy H 1 3.890 0.020 A 101 SER HBx H 1 3.307 0.020 A 101 SER C C 13 172.800 0.300 A 101 SER CA C 13 57.493 0.300 A 101 SER CB C 13 64.368 0.300 A 101 SER N N 15 114.898 0.300 A 102 THR H H 1 7.542 0.020 A 102 THR HA H 1 4.723 0.020 A 102 THR HB H 1 4.168 0.020 A 102 THR HG2% H 1 1.221 0.020 A 102 THR C C 13 172.870 0.300 A 102 THR CA C 13 62.806 0.300 A 102 THR CB C 13 70.306 0.300 A 102 THR CG2 C 13 20.736 0.300 A 102 THR N N 15 123.685 0.300 A 103 GLU H H 1 8.896 0.020 A 103 GLU HA H 1 4.161 0.020 A 103 GLU HBy H 1 2.427 0.020 A 103 GLU HBx H 1 1.982 0.020 A 103 GLU HGy H 1 2.806 0.020 A 103 GLU HGx H 1 2.679 0.020 A 103 GLU C C 13 177.489 0.300 A 103 GLU CA C 13 59.056 0.300 A 103 GLU CB C 13 30.861 0.300 A 103 GLU CG C 13 37.447 0.300 A 103 GLU N N 15 133.896 0.300 A 104 LYS H H 1 8.141 0.020 A 104 LYS HA H 1 3.704 0.020 A 104 LYS HB2 H 1 1.645 0.020 A 104 LYS HB3 H 1 1.645 0.020 A 104 LYS HD2 H 1 1.604 0.020 A 104 LYS HD3 H 1 1.604 0.020 A 104 LYS HE2 H 1 2.947 0.020 A 104 LYS HE3 H 1 2.947 0.020 A 104 LYS HGy H 1 1.495 0.020 A 104 LYS HGx H 1 1.269 0.020 A 104 LYS C C 13 177.606 0.300 A 104 LYS CA C 13 59.993 0.300 A 104 LYS CB C 13 32.491 0.300 A 104 LYS CD C 13 29.544 0.300 A 104 LYS CE C 13 41.771 0.300 A 104 LYS CG C 13 23.838 0.300 A 104 LYS N N 15 120.443 0.300 A 105 SER H H 1 9.675 0.020 A 105 SER HA H 1 4.490 0.020 A 105 SER HB2 H 1 4.026 0.020 A 105 SER HB3 H 1 4.026 0.020 A 105 SER C C 13 176.074 0.300 A 105 SER CA C 13 61.556 0.300 A 105 SER CB C 13 62.806 0.300 A 105 SER N N 15 118.526 0.300 A 106 ALA H H 1 8.751 0.020 A 106 ALA HA H 1 4.099 0.020 A 106 ALA HB% H 1 1.199 0.020 A 106 ALA C C 13 179.989 0.300 A 106 ALA CA C 13 55.618 0.300 A 106 ALA CB C 13 18.116 0.300 A 106 ALA N N 15 125.522 0.300 A 107 LEU H H 1 7.503 0.020 A 107 LEU HA H 1 4.969 0.020 A 107 LEU HBy H 1 1.814 0.020 A 107 LEU HBx H 1 1.728 0.020 A 107 LEU HD1% H 1 1.064 0.020 A 107 LEU HD2% H 1 0.728 0.020 A 107 LEU HG H 1 1.803 0.020 A 107 LEU C C 13 177.723 0.300 A 107 LEU CA C 13 55.300 0.300 A 107 LEU CB C 13 39.584 0.300 A 107 LEU CD1 C 13 25.139 0.300 A 107 LEU CD2 C 13 22.186 0.300 A 107 LEU CG C 13 27.053 0.300 A 107 LEU N N 15 112.213 0.300 A 108 ARG H H 1 7.589 0.020 A 108 ARG HA H 1 3.962 0.020 A 108 ARG HBy H 1 1.466 0.020 A 108 ARG HBx H 1 1.295 0.020 A 108 ARG HDy H 1 3.086 0.020 A 108 ARG HDx H 1 3.043 0.020 A 108 ARG HGy H 1 1.520 0.020 A 108 ARG HGx H 1 1.285 0.020 A 108 ARG C C 13 176.785 0.300 A 108 ARG CA C 13 57.738 0.300 A 108 ARG CB C 13 29.924 0.300 A 108 ARG CD C 13 43.435 0.300 A 108 ARG CG C 13 27.274 0.300 A 108 ARG N N 15 117.913 0.300 A 109 TYR H H 1 7.998 0.020 A 109 TYR HA H 1 4.477 0.020 A 109 TYR HBy H 1 3.114 0.020 A 109 TYR HBx H 1 2.719 0.020 A 109 TYR HD1 H 1 7.136 0.020 A 109 TYR HD2 H 1 7.136 0.020 A 109 TYR HE1 H 1 6.851 0.020 A 109 TYR HE2 H 1 6.851 0.020 A 109 TYR C C 13 174.793 0.300 A 109 TYR CA C 13 58.743 0.300 A 109 TYR CB C 13 41.867 0.300 A 109 TYR CD1 C 13 133.554 0.300 A 109 TYR CE1 C 13 118.328 0.300 A 109 TYR N N 15 114.886 0.300 A 110 VAL H H 1 7.716 0.020 A 110 VAL HA H 1 4.547 0.020 A 110 VAL HB H 1 2.060 0.020 A 110 VAL HG1% H 1 1.155 0.020 A 110 VAL HG2% H 1 0.674 0.020 A 110 VAL C C 13 173.621 0.300 A 110 VAL CA C 13 58.430 0.300 A 110 VAL CB C 13 35.304 0.300 A 110 VAL CG1 C 13 22.932 0.300 A 110 VAL CG2 C 13 19.546 0.300 A 110 VAL N N 15 113.946 0.300 A 111 SER H H 1 9.108 0.020 A 111 SER HA H 1 4.618 0.020 A 111 SER HBy H 1 4.004 0.020 A 111 SER HBx H 1 3.908 0.020 A 111 SER C C 13 176.082 0.300 A 111 SER CA C 13 56.243 0.300 A 111 SER CB C 13 64.368 0.300 A 111 SER N N 15 115.863 0.300 A 112 LEU H H 1 9.094 0.020 A 112 LEU HA H 1 3.774 0.020 A 112 LEU HBx H 1 1.504 0.020 A 112 LEU HBy H 1 1.795 0.020 A 112 LEU HD1% H 1 0.876 0.020 A 112 LEU HD2% H 1 0.813 0.020 A 112 LEU HG H 1 1.467 0.020 A 112 LEU C C 13 177.723 0.300 A 112 LEU CA C 13 57.805 0.300 A 112 LEU CB C 13 40.903 0.300 A 112 LEU CD1 C 13 25.515 0.300 A 112 LEU CD2 C 13 22.732 0.300 A 112 LEU CG C 13 26.611 0.300 A 112 LEU N N 15 127.735 0.300 A 113 ALA H H 1 8.159 0.020 A 113 ALA HA H 1 4.196 0.020 A 113 ALA HB% H 1 1.373 0.020 A 113 ALA C C 13 180.597 0.300 A 113 ALA CA C 13 54.680 0.300 A 113 ALA CB C 13 18.116 0.300 A 113 ALA N N 15 118.397 0.300 A 114 ASP H H 1 7.204 0.020 A 114 ASP HA H 1 4.547 0.020 A 114 ASP HBx H 1 2.67 0.020 A 114 ASP HBy H 1 2.67 0.020 A 114 ASP C C 13 178.192 0.300 A 114 ASP CA C 13 57.180 0.300 A 114 ASP CB C 13 39.679 0.300 A 114 ASP N N 15 119.144 0.300 A 115 LEU H H 1 7.416 0.020 A 115 LEU HA H 1 3.633 0.020 A 115 LEU HBy H 1 1.842 0.020 A 115 LEU HBx H 1 0.865 0.020 A 115 LEU HD1% H 1 0.409 0.020 A 115 LEU HD2% H 1 -0.483 0.020 A 115 LEU HG H 1 1.335 0.020 A 115 LEU C C 13 179.950 0.300 A 115 LEU CA C 13 57.805 0.300 A 115 LEU CB C 13 41.981 0.300 A 115 LEU CD1 C 13 26.856 0.300 A 115 LEU CD2 C 13 21.195 0.300 A 115 LEU CG C 13 25.360 0.300 A 115 LEU N N 15 118.500 0.300 A 116 GLN H H 1 8.811 0.020 A 116 GLN HA H 1 3.799 0.020 A 116 GLN HBx H 1 1.981 0.020 A 116 GLN HBy H 1 2.204 0.020 A 116 GLN HE2y H 1 6.975 0.020 A 116 GLN HE2x H 1 6.717 0.020 A 116 GLN HGx H 1 2.195 0.020 A 116 GLN HGy H 1 2.399 0.020 A 116 GLN C C 13 179.012 0.300 A 116 GLN CA C 13 59.165 0.300 A 116 GLN CB C 13 28.361 0.300 A 116 GLN CG C 13 34.853 0.300 A 116 GLN N N 15 115.579 0.300 A 116 GLN NE2 N 15 110.086 0.300 A 117 ALA H H 1 7.683 0.020 A 117 ALA HA H 1 4.221 0.020 A 117 ALA HB% H 1 1.642 0.020 A 117 ALA C C 13 177.723 0.300 A 117 ALA CA C 13 53.743 0.300 A 117 ALA CB C 13 18.157 0.300 A 117 ALA N N 15 120.675 0.300 A 118 HIS H H 1 7.605 0.020 A 118 HIS HA H 1 4.618 0.020 A 118 HIS HBy H 1 3.963 0.020 A 118 HIS HBx H 1 3.001 0.020 A 118 HIS C C 13 173.738 0.300 A 118 HIS CA C 13 54.993 0.300 A 118 HIS CB C 13 29.897 0.300 A 118 HIS N N 15 115.348 0.300 A 119 ALA H H 1 7.260 0.020 A 119 ALA HA H 1 4.829 0.020 A 119 ALA HB% H 1 1.489 0.020 A 119 ALA C C 13 178.661 0.300 A 119 ALA CA C 13 52.493 0.300 A 119 ALA CB C 13 20.345 0.300 A 119 ALA N N 15 124.110 0.300 A 120 LEU H H 1 8.772 0.020 A 120 LEU HA H 1 4.589 0.020 A 120 LEU HBy H 1 1.645 0.020 A 120 LEU HBx H 1 1.497 0.020 A 120 LEU HD1% H 1 0.890 0.020 A 120 LEU HD2% H 1 0.834 0.020 A 120 LEU HG H 1 1.545 0.020 A 120 LEU C C 13 175.443 0.300 A 120 LEU CA C 13 52.824 0.300 A 120 LEU CB C 13 42.180 0.300 A 120 LEU CD1 C 13 24.678 0.300 A 120 LEU CD2 C 13 23.433 0.300 A 120 LEU CG C 13 27.126 0.300 A 120 LEU N N 15 124.754 0.300 A 121 PRO HA H 1 4.477 0.020 A 121 PRO HBy H 1 2.287 0.020 A 121 PRO HBx H 1 1.840 0.020 A 121 PRO HDy H 1 3.957 0.020 A 121 PRO HDx H 1 3.660 0.020 A 121 PRO HG2 H 1 2.032 0.020 A 121 PRO HG3 H 1 2.032 0.020 A 121 PRO C C 13 176.551 0.300 A 121 PRO CA C 13 63.118 0.300 A 121 PRO CB C 13 31.866 0.300 A 121 PRO CD C 13 50.636 0.300 A 121 PRO CG C 13 27.494 0.300 A 122 VAL H H 1 8.271 0.020 A 122 VAL HA H 1 4.025 0.020 A 122 VAL HB H 1 2.006 0.020 A 122 VAL HG1% H 1 0.867 0.020 A 122 VAL HG2% H 1 0.867 0.020 A 122 VAL C C 13 176.082 0.300 A 122 VAL CA C 13 62.358 0.300 A 122 VAL CB C 13 32.491 0.300 A 122 VAL CG1 C 13 20.945 0.300 A 122 VAL N N 15 121.177 0.300 A 123 LEU H H 1 8.230 0.020 A 123 LEU HA H 1 4.359 0.020 A 123 LEU HBy H 1 1.561 0.020 A 123 LEU HBx H 1 1.491 0.020 A 123 LEU HD1% H 1 0.837 0.020 A 123 LEU HD2% H 1 0.893 0.020 A 123 LEU HG H 1 1.544 0.020 A 123 LEU C C 13 176.903 0.300 A 123 LEU CA C 13 54.680 0.300 A 123 LEU CB C 13 42.221 0.300 A 123 LEU CD1 C 13 23.386 0.300 A 123 LEU CD2 C 13 24.691 0.300 A 123 LEU CG C 13 26.702 0.300 A 123 LEU N N 15 125.673 0.300 A 124 GLU H H 1 8.309 0.020 A 124 GLU HA H 1 4.204 0.020 A 124 GLU HBy H 1 1.892 0.020 A 124 GLU HBx H 1 1.836 0.020 A 124 GLU HGy H 1 2.182 0.020 A 124 GLU HGx H 1 2.125 0.020 A 124 GLU C C 13 175.958 0.300 A 124 GLU CA C 13 56.243 0.300 A 124 GLU CB C 13 30.312 0.300 A 124 GLU CG C 13 36.031 0.300 A 124 GLU N N 15 121.601 0.300 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 3 GLN HE2x A 3 GLN HE2y 1.0 0.0 2.84 2 2 A 3 GLN HE2y A 3 GLN HBy 1.0 0.0 5.04 3 3 A 3 GLN HE2x A 3 GLN HE2y 1.0 0.0 2.72 4 4 A 4 GLY H A 4 GLY HAy 1.0 0.0 3.86 5 5 A 4 GLY H A 4 GLY HAx 1.0 0.0 4.03 6 6 A 5 GLN HE2x A 5 GLN HE2y 1.0 0.0 2.57 7 7 A 5 GLN HE2y A 5 GLN HGx 1.0 0.0 4.17 8 8 A 5 GLN H A 5 GLN HA 1.0 0.0 4.44 9 9 A 4 GLY HAy A 5 GLN H 1.0 0.0 3.85 10 10 A 4 GLY HAx A 5 GLN H 1.0 0.0 3.83 11 11 A 45 MET H A 45 MET HGx 1.0 0.0 3.99 12 12 A 5 GLN HGx A 5 GLN H 1.0 0.0 5.10 13 13 A 5 GLN H A 5 GLN HBx 1.0 0.0 4.08 14 14 A 5 GLN HE2x A 5 GLN HE2y 1.0 0.0 2.54 15 15 A 5 GLN HE2x A 5 GLN HGx 1.0 0.0 4.34 16 16 A 6 ASN H A 8 LEU H 1.0 0.0 4.89 17 17 A 6 ASN H A 6 ASN HA 1.0 0.0 4.64 18 18 A 5 GLN HA A 6 ASN H 1.0 0.0 3.41 19 19 A 6 ASN H A 6 ASN HBy 1.0 0.0 5.16 20 20 A 6 ASN H A 6 ASN HBx 1.0 0.0 5.13 21 21 A 5 GLN HGx A 6 ASN H 1.0 0.0 4.68 22 22 A 5 GLN HBx A 6 ASN H 1.0 0.0 4.25 23 23 A 7 VAL H A 9 GLY H 1.0 0.0 4.96 24 24 A 8 LEU H A 7 VAL H 1.0 0.0 4.61 25 25 A 6 ASN HA A 7 VAL H 1.0 0.0 4.21 26 26 A 7 VAL H A 7 VAL HA 1.0 0.0 4.42 27 27 A 6 ASN HBy A 7 VAL H 1.0 0.0 3.98 28 28 A 6 ASN HBx A 7 VAL H 1.0 0.0 4.55 29 29 A 7 VAL H A 7 VAL HG1% 1.0 0.0 3.49 30 30 A 8 LEU H A 9 GLY H 1.0 0.0 3.68 31 31 A 8 LEU H A 7 VAL H 1.0 0.0 4.05 32 32 A 8 LEU H A 8 LEU HA 1.0 0.0 4.21 33 33 A 8 LEU H A 9 GLY HAy 1.0 0.0 5.18 34 34 A 8 LEU H A 8 LEU HG 1.0 0.0 3.86 35 35 A 8 LEU H A 8 LEU HD1% 1.0 0.0 3.65 36 36 A 8 LEU H A 9 GLY H 1.0 0.0 3.63 37 37 A 9 GLY H A 10 GLN H 1.0 0.0 3.75 38 38 A 9 GLY H A 8 LEU HA 1.0 0.0 4.64 39 39 A 9 GLY H A 9 GLY HAy 1.0 0.0 3.99 40 40 A 9 GLY H A 9 GLY HAx 1.0 0.0 3.77 41 41 A 9 GLY H A 8 LEU HBx 1.0 0.0 4.92 42 42 A 9 GLY H A 8 LEU HG 1.0 0.0 5.21 43 43 A 9 GLY H A 8 LEU HD1% 1.0 0.0 4.78 44 44 A 115 LEU H A 116 GLN H 1.0 0.0 3.89 45 45 A 10 GLN H A 11 ASP H 1.0 0.0 4.94 46 46 A 9 GLY H A 10 GLN H 1.0 0.0 3.66 47 47 A 115 LEU H A 117 ALA H 1.0 0.0 4.16 48 48 A 10 GLN H A 10 GLN HA 1.0 0.0 4.22 49 49 A 9 GLY HAy A 10 GLN H 1.0 0.0 4.54 50 50 A 10 GLN H A 9 GLY HAx 1.0 0.0 4.97 51 51 A 10 GLN H A 11 ASP HB2 1.0 0.0 4.46 52 51 A 10 GLN H A 11 ASP HB3 1.0 0.0 4.46 53 52 A 10 GLN H A 10 GLN HGy 1.0 0.0 3.89 54 53 A 115 LEU H A 115 LEU HG 1.0 0.0 3.84 55 54 A 115 LEU H A 115 LEU HD2% 1.0 0.0 4.30 56 55 A 115 LEU H A 115 LEU HD1% 1.0 0.0 4.44 57 56 A 10 GLN H A 11 ASP H 1.0 0.0 4.78 58 57 A 11 ASP H A 10 GLN HA 1.0 0.0 3.63 59 58 A 11 ASP H A 11 ASP HA 1.0 0.0 3.94 60 59 A 11 ASP H A 11 ASP HB2 1.0 0.0 3.54 61 59 A 11 ASP H A 11 ASP HB3 1.0 0.0 3.54 62 60 A 11 ASP H A 10 GLN HBy 1.0 0.0 3.44 63 61 A 11 ASP H A 12 LEU H 1.0 0.0 5.16 64 62 A 11 ASP HA A 12 LEU H 1.0 0.0 3.46 65 63 A 12 LEU H A 12 LEU HA 1.0 0.0 4.58 66 64 A 12 LEU H A 11 ASP HB2 1.0 0.0 4.43 67 64 A 11 ASP HB3 A 12 LEU H 1.0 0.0 4.43 68 65 A 12 LEU H A 12 LEU HBy 1.0 0.0 4.03 69 66 A 12 LEU H A 12 LEU HBx 1.0 0.0 3.85 70 67 A 13 GLU H A 13 GLU HA 1.0 0.0 5.09 71 68 A 12 LEU HA A 13 GLU H 1.0 0.0 3.69 72 69 A 13 GLU H A 13 GLU HGy 1.0 0.0 4.40 73 70 A 13 GLU HA A 14 VAL H 1.0 0.0 3.79 74 71 A 14 VAL H A 14 VAL HA 1.0 0.0 4.27 75 72 A 14 VAL H A 13 GLU HB2 1.0 0.0 4.08 76 72 A 14 VAL H A 13 GLU HB3 1.0 0.0 4.08 77 73 A 14 VAL H A 14 VAL HB 1.0 0.0 3.58 78 74 A 14 VAL H A 14 VAL HGx% 1.0 0.0 3.78 79 75 A 14 VAL H A 14 VAL HGy% 1.0 0.0 4.51 80 76 A 15 CYS H A 16 CYS H 1.0 0.0 4.41 81 77 A 15 CYS H A 15 CYS HA 1.0 0.0 5.18 82 78 A 15 CYS H A 28 PHE HA 1.0 0.0 4.55 83 79 A 15 CYS H A 15 CYS HBy 1.0 0.0 4.96 84 80 A 15 CYS H A 15 CYS HBx 1.0 0.0 4.69 85 81 A 14 VAL HA A 15 CYS H 1.0 0.0 3.89 86 82 A 14 VAL HGy% A 15 CYS H 1.0 0.0 4.20 87 83 A 15 CYS H A 16 CYS H 1.0 0.0 4.13 88 84 A 16 CYS H A 16 CYS HA 1.0 0.0 4.55 89 85 A 16 CYS H A 15 CYS HBy 1.0 0.0 4.79 90 86 A 16 CYS H A 28 PHE HBx 1.0 0.0 5.04 91 87 A 16 CYS H A 15 CYS HBx 1.0 0.0 4.42 92 88 A 16 CYS H A 21 THR HG2% 1.0 0.0 3.96 93 89 A 14 VAL HGx% A 16 CYS H 1.0 0.0 5.13 94 90 A 14 VAL HGy% A 16 CYS H 1.0 0.0 4.50 95 91 A 17 CYS H A 18 ALA H 1.0 0.0 4.21 96 92 A 16 CYS HA A 17 CYS H 1.0 0.0 3.97 97 93 A 17 CYS H A 17 CYS HBx 1.0 0.0 4.75 98 94 A 17 CYS H A 18 ALA H 1.0 0.0 3.98 99 95 A 18 ALA H A 17 CYS HA 1.0 0.0 5.16 100 96 A 18 ALA H A 18 ALA HA 1.0 0.0 4.40 101 97 A 16 CYS HA A 18 ALA H 1.0 0.0 4.56 102 98 A 18 ALA H A 18 ALA HB% 1.0 0.0 4.03 103 99 A 34 GLN H A 35 ASP H 1.0 0.0 4.19 104 100 A 20 MET H A 20 MET HA 1.0 0.0 4.37 105 101 A 20 MET H A 19 PRO HA 1.0 0.0 3.58 106 102 A 34 GLN H A 32 ASP HBy 1.0 0.0 5.10 107 103 A 34 GLN H A 32 ASP HBx 1.0 0.0 4.75 108 104 A 34 GLN H A 34 GLN HB2 1.0 0.0 4.04 109 104 A 34 GLN H A 34 GLN HB3 1.0 0.0 4.04 110 105 A 20 MET H A 19 PRO HBy 1.0 0.0 4.23 111 106 A 20 MET H A 19 PRO HBx 1.0 0.0 4.41 112 107 A 34 GLN H A 33 VAL HG1% 1.0 0.0 4.21 113 107 A 34 GLN H A 33 VAL HG2% 1.0 0.0 4.21 114 108 A 22 GLY H A 22 GLY HAx 1.0 0.0 4.25 115 109 A 23 TRP HZ2 A 23 TRP HE1 1.0 0.0 4.39 116 110 A 22 GLY HAy A 23 TRP H 1.0 0.0 4.33 117 111 A 22 GLY HAx A 23 TRP H 1.0 0.0 4.12 118 112 A 23 TRP H A 24 TYR H 1.0 0.0 4.91 119 113 A 24 TYR H A 24 TYR HBy 1.0 0.0 5.11 120 114 A 24 TYR H A 24 TYR HBx 1.0 0.0 5.08 121 115 A 24 TYR H A 25 ARG H 1.0 0.0 4.67 122 116 A 25 ARG H A 26 ASN H 1.0 0.0 4.88 123 117 A 25 ARG H A 25 ARG HA 1.0 0.0 3.99 124 118 A 26 ASN HD2x A 26 ASN HD2y 1.0 0.0 2.68 125 119 A 26 ASN H A 27 GLY H 1.0 0.0 4.08 126 120 A 25 ARG H A 26 ASN H 1.0 0.0 4.80 127 121 A 26 ASN H A 26 ASN HA 1.0 0.0 4.90 128 122 A 26 ASN H A 25 ARG HA 1.0 0.0 4.59 129 123 A 26 ASN HD2x A 26 ASN HD2y 1.0 0.0 2.75 130 124 A 27 GLY H A 28 PHE H 1.0 0.0 4.69 131 125 A 26 ASN H A 27 GLY H 1.0 0.0 4.16 132 126 A 27 GLY H A 27 GLY HAy 1.0 0.0 4.60 133 127 A 27 GLY H A 27 GLY HAx 1.0 0.0 4.40 134 128 A 27 GLY H A 28 PHE H 1.0 0.0 4.39 135 129 A 26 ASN H A 28 PHE H 1.0 0.0 4.85 136 130 A 28 PHE H A 28 PHE HD% 1.0 0.0 4.21 137 131 A 31 THR HA A 32 ASP H 1.0 0.0 4.16 138 132 A 28 PHE H A 27 GLY HAy 1.0 0.0 5.11 139 133 A 28 PHE H A 28 PHE HBy 1.0 0.0 4.21 140 134 A 28 PHE HBx A 28 PHE H 1.0 0.0 4.73 141 135 A 32 ASP H A 31 THR HG2% 1.0 0.0 4.50 142 136 A 28 PHE HA A 29 CYS H 1.0 0.0 4.24 143 137 A 29 CYS H A 29 CYS HBx 1.0 0.0 5.10 144 138 A 29 CYS HA A 30 GLN H 1.0 0.0 4.49 145 139 A 30 GLN H A 30 GLN HA 1.0 0.0 4.77 146 140 A 30 GLN H A 30 GLN HB2 1.0 0.0 4.06 147 140 A 30 GLN H A 30 GLN HB3 1.0 0.0 4.06 148 141 A 30 GLN HA A 31 THR H 1.0 0.0 3.80 149 142 A 31 THR H A 30 GLN HB2 1.0 0.0 4.63 150 142 A 30 GLN HB3 A 31 THR H 1.0 0.0 4.63 151 143 A 31 THR HG2% A 31 THR H 1.0 0.0 4.08 152 144 A 87 GLU H A 87 GLU HB2 1.0 0.0 3.58 153 144 A 87 GLU H A 87 GLU HB3 1.0 0.0 3.58 154 145 A 34 GLN H A 33 VAL H 1.0 0.0 4.63 155 146 A 33 VAL H A 33 VAL HA 1.0 0.0 4.38 156 147 A 32 ASP HBx A 33 VAL H 1.0 0.0 4.82 157 148 A 33 VAL H A 33 VAL HB 1.0 0.0 4.09 158 149 A 33 VAL H A 33 VAL HG1% 1.0 0.0 3.84 159 149 A 33 VAL HG2% A 33 VAL H 1.0 0.0 3.84 160 150 A 34 GLN H A 33 VAL H 1.0 0.0 5.10 161 151 A 34 GLN H A 35 ASP H 1.0 0.0 4.11 162 152 A 113 ALA H A 114 ASP H 1.0 0.0 3.82 163 153 A 35 ASP H A 34 GLN HA 1.0 0.0 5.21 164 154 A 35 ASP H A 34 GLN HGy 1.0 0.0 4.24 165 155 A 35 ASP H A 34 GLN HB2 1.0 0.0 4.85 166 155 A 35 ASP H A 34 GLN HB3 1.0 0.0 4.85 167 156 A 36 ARG H A 37 GLY H 1.0 0.0 5.03 168 157 A 36 ARG H A 36 ARG HA 1.0 0.0 4.48 169 158 A 36 ARG H A 36 ARG HGy 1.0 0.0 3.97 170 159 A 37 GLY H A 37 GLY HAy 1.0 0.0 5.20 171 160 A 37 GLY H A 38 SER H 1.0 0.0 4.96 172 161 A 56 ARG H A 58 ASN H 1.0 0.0 5.19 173 162 A 56 ARG H A 55 ASP H 1.0 0.0 4.23 174 163 A 56 ARG H A 55 ASP HA 1.0 0.0 4.18 175 164 A 37 GLY HAy A 38 SER H 1.0 0.0 4.86 176 165 A 38 SER H A 38 SER HA 1.0 0.0 3.92 177 166 A 56 ARG H A 56 ARG HBx 1.0 0.0 4.08 178 167 A 42 CYS H A 103 GLU H 1.0 0.0 5.21 179 168 A 42 CYS H A 42 CYS HA 1.0 0.0 4.87 180 169 A 42 CYS H A 41 VAL HA 1.0 0.0 3.73 181 170 A 42 CYS H A 42 CYS HBy 1.0 0.0 4.87 182 171 A 42 CYS H A 42 CYS HBx 1.0 0.0 4.64 183 172 A 42 CYS H A 102 THR HG2% 1.0 0.0 4.29 184 173 A 42 CYS H A 41 VAL HG1% 1.0 0.0 4.91 185 174 A 42 CYS H A 41 VAL HG2% 1.0 0.0 4.43 186 175 A 43 ALA H A 78 TRP H 1.0 0.0 4.42 187 176 A 43 ALA H A 43 ALA HA 1.0 0.0 4.70 188 177 A 42 CYS HA A 43 ALA H 1.0 0.0 3.61 189 178 A 43 ALA H A 43 ALA HB% 1.0 0.0 4.05 190 179 A 43 ALA HA A 44 GLU H 1.0 0.0 3.74 191 180 A 90 GLU H A 90 GLU HGy 1.0 0.0 3.89 192 181 A 90 GLU H A 90 GLU HGx 1.0 0.0 4.49 193 182 A 90 GLU H A 90 GLU HB2 1.0 0.0 3.72 194 182 A 90 GLU H A 90 GLU HB3 1.0 0.0 3.72 195 183 A 43 ALA HB% A 44 GLU H 1.0 0.0 4.05 196 184 A 45 MET H A 77 ARG HA 1.0 0.0 4.85 197 185 A 45 MET H A 45 MET HA 1.0 0.0 4.82 198 186 A 45 MET H A 44 GLU HB2 1.0 0.0 4.39 199 186 A 45 MET H A 44 GLU HB3 1.0 0.0 4.39 200 187 A 45 MET H A 45 MET HBx 1.0 0.0 4.84 201 188 A 116 GLN HE2x A 116 GLN HE2y 1.0 0.0 2.61 202 189 A 45 MET HA A 46 THR H 1.0 0.0 3.74 203 190 A 46 THR H A 49 PHE HBx 1.0 0.0 4.57 204 191 A 46 THR H A 45 MET HBy 1.0 0.0 4.96 205 192 A 46 THR H A 45 MET HE% 1.0 0.0 4.88 206 193 A 46 THR H A 46 THR HG2% 1.0 0.0 4.24 207 194 A 46 THR H A 50 LEU HD1% 1.0 0.0 5.16 208 195 A 47 GLU H A 48 GLU H 1.0 0.0 4.14 209 196 A 47 GLU H A 47 GLU HA 1.0 0.0 4.06 210 197 A 47 GLU H A 47 GLU HB2 1.0 0.0 3.41 211 197 A 47 GLU H A 47 GLU HB3 1.0 0.0 3.41 212 198 A 47 GLU H A 74 ALA HB% 1.0 0.0 3.97 213 199 A 47 GLU H A 48 GLU H 1.0 0.0 3.82 214 200 A 48 GLU H A 49 PHE H 1.0 0.0 4.16 215 201 A 48 GLU H A 48 GLU HA 1.0 0.0 3.70 216 202 A 48 GLU H A 48 GLU HGy 1.0 0.0 4.46 217 203 A 48 GLU H A 48 GLU HGx 1.0 0.0 4.26 218 204 A 48 GLU H A 47 GLU HB2 1.0 0.0 3.30 219 204 A 48 GLU H A 47 GLU HB3 1.0 0.0 3.30 220 205 A 46 THR HG2% A 48 GLU H 1.0 0.0 4.84 221 206 A 48 GLU H A 49 PHE H 1.0 0.0 4.34 222 207 A 49 PHE H A 50 LEU H 1.0 0.0 4.01 223 208 A 49 PHE H A 49 PHE HD% 1.0 0.0 4.85 224 209 A 46 THR H A 49 PHE H 1.0 0.0 4.88 225 210 A 49 PHE H A 49 PHE HA 1.0 0.0 4.51 226 211 A 49 PHE H A 48 GLU HA 1.0 0.0 4.69 227 212 A 49 PHE H A 49 PHE HBy 1.0 0.0 4.24 228 213 A 49 PHE HBx A 49 PHE H 1.0 0.0 4.13 229 214 A 49 PHE H A 48 GLU HGy 1.0 0.0 4.91 230 215 A 49 PHE H A 48 GLU HBx 1.0 0.0 4.07 231 216 A 46 THR HG2% A 49 PHE H 1.0 0.0 5.02 232 217 A 49 PHE H A 50 LEU H 1.0 0.0 4.25 233 218 A 50 LEU H A 49 PHE HD% 1.0 0.0 5.15 234 219 A 47 GLU HA A 50 LEU H 1.0 0.0 4.79 235 220 A 50 LEU H A 50 LEU HA 1.0 0.0 4.70 236 221 A 49 PHE HBx A 50 LEU H 1.0 0.0 4.83 237 222 A 50 LEU H A 50 LEU HBy 1.0 0.0 4.12 238 223 A 50 LEU H A 50 LEU HG 1.0 0.0 4.16 239 224 A 74 ALA HB% A 50 LEU H 1.0 0.0 4.38 240 225 A 50 LEU HD1% A 50 LEU H 1.0 0.0 4.89 241 226 A 50 LEU H A 50 LEU HD2% 1.0 0.0 4.53 242 227 A 50 LEU H A 51 LEU H 1.0 0.0 4.24 243 228 A 51 LEU H A 52 PHE H 1.0 0.0 4.26 244 229 A 121 PRO HA A 122 VAL H 1.0 0.0 3.04 245 230 A 123 LEU HA A 124 GLU H 1.0 0.0 3.42 246 231 A 51 LEU H A 51 LEU HA 1.0 0.0 4.30 247 232 A 50 LEU HBy A 51 LEU H 1.0 0.0 4.30 248 233 A 51 LEU H A 51 LEU HG 1.0 0.0 3.55 249 234 A 51 LEU H A 51 LEU HBx 1.0 0.0 4.28 250 235 A 51 LEU H A 51 LEU HD2% 1.0 0.0 4.39 251 236 A 52 PHE H A 53 SER H 1.0 0.0 4.36 252 237 A 51 LEU H A 52 PHE H 1.0 0.0 4.13 253 238 A 52 PHE H A 52 PHE HA 1.0 0.0 4.25 254 239 A 52 PHE H A 52 PHE HBy 1.0 0.0 4.14 255 240 A 52 PHE H A 52 PHE HBx 1.0 0.0 4.04 256 241 A 52 PHE H A 51 LEU HBy 1.0 0.0 3.78 257 242 A 52 PHE H A 51 LEU HBx 1.0 0.0 4.47 258 243 A 52 PHE H A 53 SER H 1.0 0.0 4.47 259 244 A 53 SER H A 54 ARG H 1.0 0.0 4.73 260 245 A 53 SER H A 52 PHE HD% 1.0 0.0 4.71 261 246 A 53 SER H A 52 PHE HA 1.0 0.0 4.42 262 247 A 50 LEU HA A 53 SER H 1.0 0.0 4.43 263 248 A 53 SER H A 52 PHE HBy 1.0 0.0 4.88 264 249 A 53 SER H A 52 PHE HBx 1.0 0.0 4.56 265 250 A 53 SER H A 54 ARG H 1.0 0.0 4.48 266 251 A 55 ASP H A 54 ARG H 1.0 0.0 4.28 267 252 A 54 ARG H A 54 ARG HA 1.0 0.0 4.30 268 253 A 54 ARG H A 54 ARG HBy 1.0 0.0 4.14 269 254 A 54 ARG H A 54 ARG HBx 1.0 0.0 4.17 270 255 A 94 ALA H A 94 ALA HB% 1.0 0.0 3.56 271 256 A 55 ASP H A 54 ARG H 1.0 0.0 4.46 272 257 A 56 ARG H A 55 ASP H 1.0 0.0 4.50 273 258 A 55 ASP H A 55 ASP HA 1.0 0.0 4.34 274 259 A 55 ASP H A 54 ARG HA 1.0 0.0 5.09 275 260 A 55 ASP H A 55 ASP HBy 1.0 0.0 4.05 276 261 A 55 ASP H A 55 ASP HBx 1.0 0.0 4.49 277 262 A 55 ASP H A 54 ARG HBy 1.0 0.0 4.55 278 263 A 58 ASN H A 57 GLY H 1.0 0.0 4.30 279 264 A 57 GLY H A 56 ARG HA 1.0 0.0 4.99 280 265 A 57 GLY H A 57 GLY HAy 1.0 0.0 4.41 281 266 A 57 GLY H A 57 GLY HAx 1.0 0.0 4.38 282 267 A 58 ASN H A 57 GLY H 1.0 0.0 4.24 283 268 A 124 GLU H A 124 GLU HA 1.0 0.0 4.02 284 269 A 62 THR H A 62 THR HB 1.0 0.0 4.18 285 270 A 58 ASN H A 54 ARG HA 1.0 0.0 4.65 286 271 A 58 ASN H A 58 ASN HBy 1.0 0.0 4.74 287 272 A 58 ASN HBy A 59 ASP H 1.0 0.0 4.47 288 273 A 59 ASP H A 59 ASP HBx 1.0 0.0 4.47 289 274 A 59 ASP HA A 60 LEU H 1.0 0.0 4.21 290 275 A 60 LEU H A 60 LEU HBx 1.0 0.0 4.64 291 276 A 62 THR H A 61 MET H 1.0 0.0 4.09 292 277 A 59 ASP HA A 61 MET H 1.0 0.0 5.18 293 278 A 62 THR H A 61 MET H 1.0 0.0 4.14 294 279 A 62 THR H A 62 THR HA 1.0 0.0 4.53 295 280 A 62 THR H A 62 THR HG2% 1.0 0.0 4.94 296 281 A 64 ARG HBx A 66 GLU H 1.0 0.0 4.85 297 282 A 66 GLU H A 67 PHE H 1.0 0.0 4.92 298 283 A 67 PHE H A 68 ASN H 1.0 0.0 3.97 299 284 A 108 ARG H A 109 TYR H 1.0 0.0 3.71 300 285 A 108 ARG H A 109 TYR HD% 1.0 0.0 4.57 301 286 A 67 PHE H A 67 PHE HA 1.0 0.0 4.34 302 287 A 67 PHE H A 66 GLU HA 1.0 0.0 4.60 303 288 A 108 ARG H A 108 ARG HA 1.0 0.0 3.99 304 289 A 108 ARG H A 108 ARG HDy 1.0 0.0 5.18 305 290 A 67 PHE H A 67 PHE HB2 1.0 0.0 4.56 306 290 A 67 PHE H A 67 PHE HB3 1.0 0.0 4.56 307 291 A 67 PHE H A 66 GLU HBy 1.0 0.0 4.21 308 292 A 108 ARG H A 108 ARG HBy 1.0 0.0 3.50 309 293 A 108 ARG H A 108 ARG HGx 1.0 0.0 3.74 310 294 A 108 ARG H A 110 VAL HG1% 1.0 0.0 5.19 311 295 A 68 ASN HD2x A 68 ASN HD2y 1.0 0.0 2.88 312 296 A 107 LEU H A 107 LEU HBy 1.0 0.0 3.39 313 297 A 67 PHE H A 68 ASN H 1.0 0.0 3.77 314 298 A 68 ASN H A 67 PHE HA 1.0 0.0 4.76 315 299 A 68 ASN H A 68 ASN HA 1.0 0.0 3.42 316 300 A 68 ASN H A 68 ASN HBy 1.0 0.0 4.81 317 301 A 68 ASN H A 68 ASN HBx 1.0 0.0 4.96 318 302 A 68 ASN HD2x A 68 ASN HD2y 1.0 0.0 2.90 319 303 A 68 ASN H A 69 PHE H 1.0 0.0 4.18 320 304 A 69 PHE H A 69 PHE HA 1.0 0.0 4.81 321 305 A 68 ASN HA A 69 PHE H 1.0 0.0 3.82 322 306 A 69 PHE H A 69 PHE HBy 1.0 0.0 4.22 323 307 A 69 PHE H A 69 PHE HBx 1.0 0.0 4.25 324 308 A 73 LYS H A 76 ASP H 1.0 0.0 5.16 325 309 A 73 LYS H A 72 LEU HA 1.0 0.0 3.57 326 310 A 73 LYS H A 73 LYS HA 1.0 0.0 4.20 327 311 A 73 LYS H A 76 ASP HBy 1.0 0.0 4.58 328 312 A 73 LYS H A 76 ASP HBx 1.0 0.0 4.92 329 313 A 73 LYS H A 73 LYS HD2 1.0 0.0 4.13 330 313 A 73 LYS H A 73 LYS HD3 1.0 0.0 4.13 331 314 A 73 LYS H A 73 LYS HGy 1.0 0.0 4.22 332 315 A 50 LEU HD2% A 73 LYS H 1.0 0.0 5.23 333 316 A 73 LYS H A 72 LEU HD1% 1.0 0.0 4.49 334 316 A 73 LYS H A 72 LEU HD2% 1.0 0.0 4.49 335 317 A 73 LYS HA A 74 ALA H 1.0 0.0 3.34 336 318 A 74 ALA H A 74 ALA HA 1.0 0.0 4.06 337 319 A 74 ALA H A 73 LYS HB2 1.0 0.0 3.58 338 319 A 74 ALA H A 73 LYS HB3 1.0 0.0 3.58 339 320 A 74 ALA HB% A 74 ALA H 1.0 0.0 3.20 340 321 A 50 LEU HD2% A 74 ALA H 1.0 0.0 4.16 341 322 A 76 ASP H A 75 GLY H 1.0 0.0 4.43 342 323 A 75 GLY H A 75 GLY HAy 1.0 0.0 4.35 343 324 A 74 ALA HA A 75 GLY H 1.0 0.0 3.42 344 325 A 45 MET HBy A 75 GLY H 1.0 0.0 4.74 345 326 A 75 GLY H A 44 GLU HG2 1.0 0.0 5.07 346 326 A 75 GLY H A 44 GLU HG3 1.0 0.0 5.07 347 327 A 74 ALA HB% A 75 GLY H 1.0 0.0 4.21 348 328 A 76 ASP H A 75 GLY H 1.0 0.0 4.02 349 329 A 76 ASP H A 75 GLY HAy 1.0 0.0 4.53 350 330 A 76 ASP H A 74 ALA HA 1.0 0.0 4.19 351 331 A 76 ASP H A 76 ASP HBy 1.0 0.0 3.83 352 332 A 76 ASP H A 76 ASP HBx 1.0 0.0 3.84 353 333 A 77 ARG HA A 77 ARG H 1.0 0.0 5.12 354 334 A 76 ASP HBx A 77 ARG H 1.0 0.0 4.59 355 335 A 78 TRP HD1 A 78 TRP HE1 1.0 0.0 4.58 356 336 A 43 ALA H A 78 TRP H 1.0 0.0 4.17 357 337 A 78 TRP H A 77 ARG HA 1.0 0.0 3.81 358 338 A 78 TRP H A 78 TRP HBy 1.0 0.0 4.89 359 339 A 78 TRP H A 78 TRP HBx 1.0 0.0 4.49 360 340 A 78 TRP H A 77 ARG HB2 1.0 0.0 4.73 361 340 A 78 TRP H A 77 ARG HB3 1.0 0.0 4.73 362 341 A 78 TRP H A 43 ALA HB% 1.0 0.0 5.17 363 342 A 42 CYS HA A 80 LEU H 1.0 0.0 3.80 364 343 A 80 LEU H A 80 LEU HG 1.0 0.0 4.82 365 344 A 80 LEU H A 80 LEU HBx 1.0 0.0 4.55 366 345 A 82 ALA H A 83 SER H 1.0 0.0 4.96 367 346 A 82 ALA H A 82 ALA HA 1.0 0.0 4.42 368 347 A 82 ALA H A 82 ALA HB% 1.0 0.0 3.94 369 348 A 82 ALA H A 83 SER H 1.0 0.0 4.76 370 349 A 83 SER H A 84 ARG H 1.0 0.0 4.65 371 350 A 83 SER H A 83 SER HBx 1.0 0.0 4.43 372 351 A 83 SER H A 82 ALA HB% 1.0 0.0 4.17 373 352 A 83 SER H A 84 ARG H 1.0 0.0 4.66 374 353 A 84 ARG H A 85 TRP H 1.0 0.0 3.97 375 354 A 84 ARG H A 84 ARG HA 1.0 0.0 5.07 376 355 A 84 ARG H A 84 ARG HB2 1.0 0.0 4.94 377 355 A 84 ARG H A 84 ARG HB3 1.0 0.0 4.94 378 356 A 85 TRP HZ2 A 85 TRP HE1 1.0 0.0 4.50 379 357 A 85 TRP HE1 A 85 TRP HD1 1.0 0.0 3.93 380 358 A 43 ALA HB% A 85 TRP HE1 1.0 0.0 5.06 381 359 A 85 TRP HE1 A 97 VAL HG1% 1.0 0.0 3.97 382 360 A 85 TRP H A 86 GLN H 1.0 0.0 4.15 383 361 A 84 ARG H A 85 TRP H 1.0 0.0 4.07 384 362 A 85 TRP H A 85 TRP HA 1.0 0.0 4.40 385 363 A 85 TRP H A 85 TRP HB2 1.0 0.0 4.23 386 363 A 85 TRP H A 85 TRP HB3 1.0 0.0 4.23 387 364 A 85 TRP H A 86 GLN HBy 1.0 0.0 4.89 388 365 A 86 GLN HE2x A 86 GLN HE2y 1.0 0.0 3.27 389 366 A 86 GLN HE2y A 86 GLN HGy 1.0 0.0 4.88 390 367 A 86 GLN HE2y A 86 GLN HGx 1.0 0.0 5.01 391 368 A 85 TRP H A 86 GLN H 1.0 0.0 3.90 392 369 A 84 ARG H A 86 GLN H 1.0 0.0 4.49 393 370 A 86 GLN H A 86 GLN HA 1.0 0.0 4.44 394 371 A 86 GLN H A 85 TRP HA 1.0 0.0 5.00 395 372 A 86 GLN H A 85 TRP HB2 1.0 0.0 4.55 396 372 A 86 GLN H A 85 TRP HB3 1.0 0.0 4.55 397 373 A 86 GLN H A 86 GLN HBy 1.0 0.0 4.28 398 374 A 86 GLN H A 86 GLN HBx 1.0 0.0 4.22 399 375 A 86 GLN H A 110 VAL HG2% 1.0 0.0 4.84 400 376 A 86 GLN HE2x A 86 GLN HE2y 1.0 0.0 3.22 401 377 A 86 GLN HE2x A 89 PHE HD% 1.0 0.0 5.04 402 378 A 86 GLN HE2x A 86 GLN HGy 1.0 0.0 5.01 403 379 A 86 GLN HE2x A 86 GLN HGx 1.0 0.0 5.11 404 380 A 87 GLU H A 86 GLN H 1.0 0.0 4.33 405 381 A 87 GLU H A 88 ALA H 1.0 0.0 4.25 406 382 A 87 GLU H A 86 GLN HA 1.0 0.0 4.01 407 383 A 87 GLU H A 86 GLN HGx 1.0 0.0 4.44 408 384 A 88 ALA H A 89 PHE H 1.0 0.0 3.96 409 385 A 87 GLU H A 88 ALA H 1.0 0.0 4.25 410 386 A 88 ALA H A 87 GLU HA 1.0 0.0 4.82 411 387 A 85 TRP HA A 88 ALA H 1.0 0.0 5.09 412 388 A 88 ALA H A 88 ALA HA 1.0 0.0 4.25 413 389 A 88 ALA H A 87 GLU HB2 1.0 0.0 4.15 414 389 A 87 GLU HB3 A 88 ALA H 1.0 0.0 4.15 415 390 A 88 ALA H A 88 ALA HB% 1.0 0.0 3.60 416 391 A 88 ALA H A 89 PHE H 1.0 0.0 4.05 417 392 A 90 GLU H A 91 ALA H 1.0 0.0 4.17 418 393 A 86 GLN HA A 89 PHE H 1.0 0.0 4.47 419 394 A 89 PHE H A 89 PHE HA 1.0 0.0 4.42 420 395 A 89 PHE H A 88 ALA HA 1.0 0.0 5.02 421 396 A 89 PHE H A 88 ALA HB% 1.0 0.0 4.05 422 397 A 94 ALA HB% A 89 PHE H 1.0 0.0 4.57 423 398 A 90 GLU H A 90 GLU HA 1.0 0.0 4.35 424 399 A 90 GLU H A 91 ALA H 1.0 0.0 4.11 425 400 A 91 ALA H A 93 MET H 1.0 0.0 4.60 426 401 A 91 ALA H A 92 GLY H 1.0 0.0 3.90 427 402 A 91 ALA H A 91 ALA HA 1.0 0.0 4.14 428 403 A 91 ALA H A 90 GLU HA 1.0 0.0 4.61 429 404 A 88 ALA HA A 91 ALA H 1.0 0.0 5.04 430 405 A 91 ALA H A 90 GLU HB2 1.0 0.0 4.24 431 405 A 90 GLU HB3 A 91 ALA H 1.0 0.0 4.24 432 406 A 91 ALA H A 91 ALA HB% 1.0 0.0 3.49 433 407 A 93 MET H A 92 GLY H 1.0 0.0 3.72 434 408 A 91 ALA H A 92 GLY H 1.0 0.0 3.87 435 409 A 92 GLY H A 91 ALA HA 1.0 0.0 4.90 436 410 A 92 GLY H A 92 GLY HAy 1.0 0.0 3.95 437 411 A 92 GLY H A 92 GLY HAx 1.0 0.0 3.68 438 412 A 92 GLY H A 91 ALA HB% 1.0 0.0 4.42 439 413 A 93 MET H A 92 GLY H 1.0 0.0 3.69 440 414 A 93 MET H A 93 MET HA 1.0 0.0 4.22 441 415 A 89 PHE HA A 93 MET H 1.0 0.0 4.83 442 416 A 88 ALA HA A 93 MET H 1.0 0.0 5.06 443 417 A 93 MET H A 93 MET HGy 1.0 0.0 5.16 444 418 A 93 MET H A 93 MET HGx 1.0 0.0 4.65 445 419 A 93 MET H A 93 MET HBx 1.0 0.0 4.17 446 420 A 94 ALA H A 89 PHE H 1.0 0.0 5.18 447 421 A 94 ALA H A 93 MET HA 1.0 0.0 4.21 448 422 A 94 ALA H A 88 ALA HB% 1.0 0.0 4.95 449 423 A 97 VAL H A 98 VAL H 1.0 0.0 4.45 450 424 A 97 VAL H A 96 PRO HA 1.0 0.0 3.53 451 425 A 97 VAL H A 118 HIS HBy 1.0 0.0 5.04 452 426 A 97 VAL H A 96 PRO HBy 1.0 0.0 4.89 453 427 A 97 VAL H A 96 PRO HBx 1.0 0.0 5.13 454 428 A 97 VAL H A 97 VAL HB 1.0 0.0 3.98 455 429 A 97 VAL HG1% A 97 VAL H 1.0 0.0 4.17 456 430 A 105 SER H A 106 ALA H 1.0 0.0 4.24 457 431 A 107 LEU H A 106 ALA H 1.0 0.0 3.96 458 432 A 43 ALA HA A 98 VAL H 1.0 0.0 4.49 459 433 A 106 ALA H A 105 SER HA 1.0 0.0 3.76 460 434 A 106 ALA H A 106 ALA HA 1.0 0.0 4.08 461 435 A 106 ALA H A 104 LYS HA 1.0 0.0 5.04 462 436 A 98 VAL H A 98 VAL HB 1.0 0.0 4.11 463 437 A 120 LEU H A 120 LEU HBy 1.0 0.0 3.73 464 438 A 120 LEU H A 119 ALA HB% 1.0 0.0 3.49 465 439 A 106 ALA H A 106 ALA HB% 1.0 0.0 3.43 466 440 A 98 VAL H A 98 VAL HG1% 1.0 0.0 3.85 467 441 A 98 VAL H A 97 VAL HG2% 1.0 0.0 4.27 468 442 A 99 LEU H A 100 GLN H 1.0 0.0 4.64 469 443 A 98 VAL H A 99 LEU H 1.0 0.0 5.19 470 444 A 99 LEU H A 98 VAL HA 1.0 0.0 3.82 471 445 A 99 LEU H A 99 LEU HA 1.0 0.0 4.88 472 446 A 99 LEU H A 99 LEU HBx 1.0 0.0 4.83 473 447 A 99 LEU H A 99 LEU HD1% 1.0 0.0 4.95 474 447 A 99 LEU H A 99 LEU HD2% 1.0 0.0 4.95 475 448 A 100 GLN HE2x A 100 GLN HE2y 1.0 0.0 2.87 476 449 A 100 GLN HE2y A 100 GLN HGx 1.0 0.0 4.21 477 450 A 100 GLN HE2y A 100 GLN HB2 1.0 0.0 5.15 478 450 A 100 GLN HE2y A 100 GLN HB3 1.0 0.0 5.15 479 451 A 99 LEU H A 100 GLN H 1.0 0.0 4.37 480 452 A 100 GLN H A 102 THR H 1.0 0.0 5.00 481 453 A 100 GLN H A 101 SER H 1.0 0.0 4.19 482 454 A 100 GLN H A 100 GLN HA 1.0 0.0 4.27 483 455 A 100 GLN H A 100 GLN HGy 1.0 0.0 5.00 484 456 A 100 GLN H A 100 GLN HGx 1.0 0.0 4.78 485 457 A 100 GLN H A 100 GLN HB2 1.0 0.0 3.89 486 457 A 100 GLN H A 100 GLN HB3 1.0 0.0 3.89 487 458 A 100 GLN H A 99 LEU HBy 1.0 0.0 4.14 488 459 A 100 GLN HE2x A 100 GLN HE2y 1.0 0.0 2.85 489 460 A 100 GLN HE2x A 100 GLN HGy 1.0 0.0 4.89 490 461 A 100 GLN HE2x A 100 GLN HGx 1.0 0.0 4.63 491 462 A 100 GLN H A 101 SER H 1.0 0.0 4.15 492 463 A 102 THR H A 101 SER H 1.0 0.0 3.60 493 464 A 101 SER H A 101 SER HA 1.0 0.0 4.81 494 465 A 101 SER H A 100 GLN HA 1.0 0.0 4.43 495 466 A 101 SER H A 101 SER HBy 1.0 0.0 4.61 496 467 A 101 SER H A 101 SER HBx 1.0 0.0 4.46 497 468 A 101 SER H A 100 GLN HB2 1.0 0.0 4.90 498 468 A 100 GLN HB3 A 101 SER H 1.0 0.0 4.90 499 469 A 101 SER H A 98 VAL HG2% 1.0 0.0 3.95 500 470 A 102 THR H A 101 SER H 1.0 0.0 3.68 501 471 A 102 THR H A 102 THR HB 1.0 0.0 3.55 502 472 A 99 LEU HA A 102 THR H 1.0 0.0 4.73 503 473 A 102 THR HG2% A 102 THR H 1.0 0.0 4.50 504 474 A 98 VAL HG1% A 102 THR H 1.0 0.0 4.33 505 475 A 103 GLU H A 41 VAL HA 1.0 0.0 4.62 506 476 A 103 GLU H A 103 GLU HBy 1.0 0.0 4.69 507 477 A 103 GLU H A 103 GLU HBx 1.0 0.0 4.48 508 478 A 103 GLU H A 102 THR HG2% 1.0 0.0 4.48 509 479 A 103 GLU H A 41 VAL HG1% 1.0 0.0 5.18 510 480 A 103 GLU HA A 104 LYS H 1.0 0.0 3.72 511 481 A 104 LYS HA A 104 LYS H 1.0 0.0 4.40 512 482 A 104 LYS H A 103 GLU HGx 1.0 0.0 4.60 513 483 A 104 LYS H A 104 LYS HB2 1.0 0.0 3.72 514 483 A 104 LYS H A 104 LYS HB3 1.0 0.0 3.72 515 484 A 104 LYS H A 107 LEU HD1% 1.0 0.0 4.91 516 485 A 105 SER H A 106 ALA H 1.0 0.0 4.16 517 486 A 105 SER H A 104 LYS H 1.0 0.0 4.89 518 487 A 105 SER H A 103 GLU HA 1.0 0.0 4.38 519 488 A 105 SER H A 105 SER HB2 1.0 0.0 4.13 520 488 A 105 SER H A 105 SER HB3 1.0 0.0 4.13 521 489 A 105 SER H A 104 LYS HA 1.0 0.0 5.18 522 490 A 105 SER H A 104 LYS HD2 1.0 0.0 4.65 523 490 A 105 SER H A 104 LYS HD3 1.0 0.0 4.65 524 491 A 105 SER H A 106 ALA HB% 1.0 0.0 4.96 525 492 A 105 SER H A 40 THR HG2% 1.0 0.0 5.10 526 493 A 107 LEU H A 106 ALA H 1.0 0.0 4.24 527 494 A 107 LEU H A 107 LEU HA 1.0 0.0 4.42 528 495 A 107 LEU H A 106 ALA HB% 1.0 0.0 4.32 529 496 A 107 LEU H A 107 LEU HD2% 1.0 0.0 4.35 530 497 A 107 LEU H A 107 LEU HD1% 1.0 0.0 4.24 531 498 A 109 TYR H A 110 VAL H 1.0 0.0 3.49 532 499 A 108 ARG H A 109 TYR H 1.0 0.0 3.94 533 500 A 109 TYR H A 109 TYR HD% 1.0 0.0 4.36 534 501 A 109 TYR H A 107 LEU HA 1.0 0.0 4.77 535 502 A 109 TYR H A 109 TYR HA 1.0 0.0 4.75 536 503 A 109 TYR H A 108 ARG HA 1.0 0.0 4.97 537 504 A 109 TYR H A 109 TYR HBy 1.0 0.0 4.69 538 505 A 109 TYR H A 109 TYR HBx 1.0 0.0 4.26 539 506 A 109 TYR H A 108 ARG HBy 1.0 0.0 4.44 540 507 A 109 TYR H A 108 ARG HBx 1.0 0.0 4.75 541 508 A 109 TYR H A 110 VAL HG1% 1.0 0.0 4.73 542 509 A 109 TYR H A 110 VAL H 1.0 0.0 3.33 543 510 A 107 LEU H A 110 VAL H 1.0 0.0 4.92 544 511 A 107 LEU HA A 110 VAL H 1.0 0.0 4.00 545 512 A 110 VAL H A 110 VAL HA 1.0 0.0 4.03 546 513 A 110 VAL H A 109 TYR HBy 1.0 0.0 4.90 547 514 A 110 VAL H A 109 TYR HBx 1.0 0.0 4.47 548 515 A 110 VAL H A 110 VAL HB 1.0 0.0 5.04 549 516 A 110 VAL HG2% A 110 VAL H 1.0 0.0 4.41 550 517 A 110 VAL HG1% A 110 VAL H 1.0 0.0 3.80 551 518 A 110 VAL HA A 111 SER H 1.0 0.0 3.54 552 519 A 111 SER H A 111 SER HBx 1.0 0.0 3.96 553 520 A 110 VAL HB A 111 SER H 1.0 0.0 4.06 554 521 A 110 VAL HG2% A 111 SER H 1.0 0.0 4.56 555 522 A 110 VAL HG1% A 111 SER H 1.0 0.0 4.71 556 523 A 113 ALA H A 112 LEU H 1.0 0.0 4.08 557 524 A 112 LEU H A 111 SER HA 1.0 0.0 3.48 558 525 A 112 LEU H A 111 SER HBy 1.0 0.0 4.38 559 526 A 112 LEU H A 112 LEU HA 1.0 0.0 4.15 560 527 A 112 LEU H A 107 LEU HG 1.0 0.0 3.76 561 528 A 112 LEU H A 112 LEU HBx 1.0 0.0 3.71 562 529 A 107 LEU HD1% A 112 LEU H 1.0 0.0 3.92 563 530 A 113 ALA H A 112 LEU H 1.0 0.0 3.75 564 531 A 113 ALA H A 114 ASP H 1.0 0.0 3.87 565 532 A 113 ALA H A 111 SER HA 1.0 0.0 4.69 566 533 A 113 ALA H A 113 ALA HA 1.0 0.0 3.69 567 534 A 113 ALA H A 111 SER HBy 1.0 0.0 4.42 568 535 A 113 ALA H A 112 LEU HA 1.0 0.0 4.49 569 536 A 113 ALA H A 112 LEU HBy 1.0 0.0 3.86 570 537 A 113 ALA H A 113 ALA HB% 1.0 0.0 3.03 571 538 A 113 ALA H A 112 LEU HD2% 1.0 0.0 4.36 572 539 A 114 ASP H A 112 LEU H 1.0 0.0 4.83 573 540 A 116 GLN H A 114 ASP H 1.0 0.0 5.03 574 541 A 115 LEU H A 114 ASP H 1.0 0.0 3.60 575 542 A 114 ASP H A 114 ASP HA 1.0 0.0 4.13 576 543 A 114 ASP H A 113 ALA HA 1.0 0.0 4.70 577 544 A 114 ASP H A 111 SER HBx 1.0 0.0 4.50 578 545 A 114 ASP H A 113 ALA HB% 1.0 0.0 3.65 579 546 A 115 LEU H A 114 ASP H 1.0 0.0 3.80 580 547 A 115 LEU H A 112 LEU HA 1.0 0.0 4.42 581 548 A 115 LEU H A 115 LEU HA 1.0 0.0 4.27 582 549 A 115 LEU H A 115 LEU HBy 1.0 0.0 3.87 583 550 A 115 LEU H A 97 VAL HG1% 1.0 0.0 4.88 584 551 A 116 GLN HE2y A 116 GLN HGy 1.0 0.0 4.39 585 552 A 116 GLN HE2y A 116 GLN HGx 1.0 0.0 3.69 586 553 A 116 GLN HE2y A 116 GLN HBx 1.0 0.0 5.15 587 554 A 116 GLN HE2y A 112 LEU HG 1.0 0.0 4.89 588 555 A 116 GLN H A 117 ALA H 1.0 0.0 4.01 589 556 A 115 LEU H A 116 GLN H 1.0 0.0 3.97 590 557 A 116 GLN H A 114 ASP H 1.0 0.0 5.07 591 558 A 116 GLN H A 113 ALA HA 1.0 0.0 4.44 592 559 A 116 GLN H A 116 GLN HA 1.0 0.0 3.91 593 560 A 116 GLN H A 115 LEU HA 1.0 0.0 4.95 594 561 A 116 GLN H A 116 GLN HGy 1.0 0.0 3.86 595 562 A 116 GLN H A 116 GLN HGx 1.0 0.0 3.53 596 563 A 116 GLN H A 116 GLN HBx 1.0 0.0 4.00 597 564 A 116 GLN H A 115 LEU HBy 1.0 0.0 4.00 598 565 A 116 GLN H A 117 ALA HB% 1.0 0.0 5.04 599 566 A 116 GLN H A 112 LEU HG 1.0 0.0 4.82 600 567 A 116 GLN H A 113 ALA HB% 1.0 0.0 4.79 601 568 A 116 GLN H A 112 LEU HD2% 1.0 0.0 4.01 602 569 A 116 GLN H A 99 LEU HD1% 1.0 0.0 4.83 603 569 A 116 GLN H A 99 LEU HD2% 1.0 0.0 4.83 604 570 A 116 GLN H A 115 LEU HD2% 1.0 0.0 4.85 605 571 A 116 GLN HE2x A 116 GLN HE2y 1.0 0.0 2.59 606 572 A 116 GLN HE2x A 116 GLN HGy 1.0 0.0 4.62 607 573 A 116 GLN HE2x A 116 GLN HGx 1.0 0.0 4.14 608 574 A 116 GLN HE2x A 112 LEU HG 1.0 0.0 4.79 609 575 A 116 GLN H A 117 ALA H 1.0 0.0 3.82 610 576 A 117 ALA H A 114 ASP HA 1.0 0.0 4.54 611 577 A 117 ALA H A 117 ALA HA 1.0 0.0 3.69 612 578 A 117 ALA H A 116 GLN HA 1.0 0.0 4.59 613 579 A 117 ALA H A 116 GLN HBy 1.0 0.0 4.00 614 580 A 117 ALA H A 116 GLN HBx 1.0 0.0 4.40 615 581 A 117 ALA H A 117 ALA HB% 1.0 0.0 3.19 616 582 A 117 ALA H A 113 ALA HB% 1.0 0.0 5.11 617 583 A 117 ALA H A 112 LEU HD2% 1.0 0.0 5.08 618 584 A 116 GLN H A 118 HIS H 1.0 0.0 5.18 619 585 A 118 HIS H A 119 ALA H 1.0 0.0 3.57 620 586 A 118 HIS H A 118 HIS HA 1.0 0.0 4.21 621 587 A 117 ALA HA A 118 HIS H 1.0 0.0 4.46 622 588 A 118 HIS HBy A 118 HIS H 1.0 0.0 4.33 623 589 A 116 GLN HA A 118 HIS H 1.0 0.0 4.88 624 590 A 115 LEU HA A 118 HIS H 1.0 0.0 4.94 625 591 A 118 HIS H A 118 HIS HBx 1.0 0.0 4.03 626 592 A 117 ALA HB% A 118 HIS H 1.0 0.0 4.12 627 593 A 119 ALA HB% A 118 HIS H 1.0 0.0 4.32 628 594 A 97 VAL HG1% A 118 HIS H 1.0 0.0 4.76 629 595 A 120 LEU H A 119 ALA H 1.0 0.0 5.34 630 596 A 118 HIS H A 119 ALA H 1.0 0.0 3.40 631 597 A 119 ALA H A 118 HIS HA 1.0 0.0 4.13 632 598 A 117 ALA HA A 119 ALA H 1.0 0.0 5.10 633 599 A 116 GLN HA A 119 ALA H 1.0 0.0 4.36 634 600 A 119 ALA H A 118 HIS HBx 1.0 0.0 5.12 635 601 A 119 ALA HB% A 119 ALA H 1.0 0.0 3.17 636 602 A 119 ALA H A 99 LEU HG 1.0 0.0 5.04 637 603 A 119 ALA H A 99 LEU HD1% 1.0 0.0 4.87 638 603 A 99 LEU HD2% A 119 ALA H 1.0 0.0 4.87 639 604 A 122 VAL H A 122 VAL HA 1.0 0.0 3.84 640 605 A 122 VAL H A 121 PRO HBy 1.0 0.0 4.32 641 606 A 122 VAL H A 122 VAL HB 1.0 0.0 3.53 642 607 A 124 GLU H A 124 GLU HBx 1.0 0.0 3.62 643 608 A 124 GLU H A 123 LEU HBx 1.0 0.0 4.17 644 609 A 122 VAL H A 122 VAL HG1% 1.0 0.0 3.56 645 609 A 122 VAL H A 122 VAL HG2% 1.0 0.0 3.56 646 610 A 123 LEU HA A 123 LEU H 1.0 0.0 4.02 647 611 A 122 VAL HA A 123 LEU H 1.0 0.0 3.32 648 612 A 122 VAL HB A 123 LEU H 1.0 0.0 4.44 649 613 A 123 LEU HBx A 123 LEU H 1.0 0.0 3.42 650 614 A 123 LEU H A 122 VAL HG1% 1.0 0.0 3.93 651 614 A 122 VAL HG2% A 123 LEU H 1.0 0.0 3.93 652 615 A 124 GLU H A 124 GLU HGx 1.0 0.0 4.62 653 616 A 124 GLU H A 122 VAL HG1% 1.0 0.0 4.41 654 616 A 124 GLU H A 122 VAL HG2% 1.0 0.0 4.41 655 617 A 120 LEU H A 119 ALA H 1.0 0.0 5.32 656 618 A 120 LEU H A 120 LEU HA 1.0 0.0 4.21 657 619 A 120 LEU H A 99 LEU HD1% 1.0 0.0 5.42 658 619 A 120 LEU H A 99 LEU HD2% 1.0 0.0 5.42 659 620 A 120 LEU H A 120 LEU HD1% 1.0 0.0 4.42 660 621 A 120 LEU H A 120 LEU HD2% 1.0 0.0 5.87 661 622 A 120 LEU H A 120 LEU HG 1.0 0.0 5.72 662 623 A 117 ALA HB% A 119 ALA H 1.0 0.0 4.69 663 624 A 116 GLN H A 119 ALA H 1.0 0.0 5.58 664 625 A 117 ALA H A 119 ALA H 1.0 0.0 6.30 665 626 A 85 TRP HZ2 A 118 HIS H 1.0 0.0 5.39 666 627 A 118 HIS H A 119 ALA HA 1.0 0.0 5.48 667 628 A 97 VAL HG1% A 118 HIS H 1.0 0.0 5.55 668 629 A 117 ALA H A 114 ASP H 1.0 0.0 5.44 669 630 A 117 ALA H A 119 ALA H 1.0 0.0 5.75 670 631 A 99 LEU H A 98 VAL HG2% 1.0 0.0 6.29 671 632 A 98 VAL HG1% A 99 LEU H 1.0 0.0 5.66 672 633 A 119 ALA HB% A 99 LEU H 1.0 0.0 4.90 673 634 A 97 VAL H A 97 VAL HG2% 1.0 0.0 5.16 674 635 A 94 ALA H A 93 MET HBx 1.0 0.0 5.85 675 636 A 94 ALA H A 88 ALA HA 1.0 0.0 4.37 676 637 A 88 ALA HB% A 93 MET H 1.0 0.0 4.75 677 638 A 93 MET H A 91 ALA HB% 1.0 0.0 4.73 678 639 A 93 MET H A 91 ALA HA 1.0 0.0 5.20 679 640 A 89 PHE H A 92 GLY H 1.0 0.0 5.48 680 641 A 90 GLU H A 88 ALA HB% 1.0 0.0 6.30 681 642 A 90 GLU H A 89 PHE HB2 1.0 0.0 6.30 682 642 A 90 GLU H A 89 PHE HB3 1.0 0.0 6.30 683 643 A 90 GLU H A 89 PHE HA 1.0 0.0 6.30 684 644 A 90 GLU H A 88 ALA H 1.0 0.0 6.30 685 645 A 89 PHE H A 89 PHE HB2 1.0 0.0 4.33 686 645 A 89 PHE H A 89 PHE HB3 1.0 0.0 4.33 687 646 A 89 PHE H A 90 GLU HB2 1.0 0.0 4.76 688 646 A 90 GLU HB3 A 89 PHE H 1.0 0.0 4.76 689 647 A 94 ALA H A 89 PHE H 1.0 0.0 5.37 690 648 A 89 PHE H A 91 ALA H 1.0 0.0 5.92 691 649 A 45 MET HE% A 88 ALA H 1.0 0.0 4.70 692 650 A 88 ALA H A 87 GLU HG2 1.0 0.0 5.54 693 650 A 88 ALA H A 87 GLU HG3 1.0 0.0 5.54 694 651 A 88 ALA H A 89 PHE HB2 1.0 0.0 6.30 695 651 A 88 ALA H A 89 PHE HB3 1.0 0.0 6.30 696 652 A 86 GLN H A 88 ALA H 1.0 0.0 6.30 697 653 A 86 GLN HE2y A 86 GLN HBx 1.0 0.0 5.87 698 654 A 90 GLU HGx A 86 GLN HE2y 1.0 0.0 4.86 699 655 A 86 GLN HBy A 86 GLN HE2y 1.0 0.0 5.12 700 656 A 90 GLU HGy A 86 GLN HE2y 1.0 0.0 5.18 701 657 A 90 GLU HGx A 86 GLN HE2x 1.0 0.0 4.86 702 658 A 90 GLU HGy A 86 GLN HE2x 1.0 0.0 5.04 703 659 A 86 GLN HBy A 86 GLN HE2x 1.0 0.0 5.45 704 660 A 86 GLN HE2x A 90 GLU HB2 1.0 0.0 6.08 705 660 A 90 GLU HB3 A 86 GLN HE2x 1.0 0.0 6.08 706 661 A 41 VAL HG1% A 85 TRP H 1.0 0.0 5.87 707 662 A 45 MET HE% A 85 TRP H 1.0 0.0 5.85 708 663 A 82 ALA HA A 85 TRP H 1.0 0.0 5.63 709 664 A 83 SER H A 85 TRP H 1.0 0.0 6.00 710 665 A 82 ALA H A 84 ARG H 1.0 0.0 5.90 711 666 A 84 ARG H A 83 SER HBx 1.0 0.0 6.03 712 667 A 83 SER H A 82 ALA HA 1.0 0.0 5.64 713 668 A 83 SER H A 85 TRP H 1.0 0.0 6.30 714 669 A 41 VAL HG1% A 82 ALA H 1.0 0.0 5.61 715 670 A 43 ALA HB% A 80 LEU H 1.0 0.0 5.71 716 671 A 80 LEU H A 80 LEU HA 1.0 0.0 5.34 717 672 A 78 TRP H A 80 LEU HA 1.0 0.0 5.52 718 673 A 42 CYS HA A 78 TRP H 1.0 0.0 5.59 719 674 A 76 ASP HBy A 77 ARG H 1.0 0.0 4.92 720 675 A 76 ASP H A 77 ARG H 1.0 0.0 5.51 721 676 A 45 MET H A 76 ASP H 1.0 0.0 5.23 722 677 A 73 LYS H A 76 ASP H 1.0 0.0 4.62 723 678 A 76 ASP H A 44 GLU HA 1.0 0.0 4.69 724 679 A 74 ALA HB% A 76 ASP H 1.0 0.0 5.24 725 680 A 76 ASP H A 72 LEU HD1% 1.0 0.0 5.87 726 680 A 76 ASP H A 72 LEU HD2% 1.0 0.0 5.87 727 681 A 46 THR HG2% A 75 GLY H 1.0 0.0 6.30 728 682 A 75 GLY H A 44 GLU HA 1.0 0.0 6.13 729 683 A 45 MET H A 75 GLY H 1.0 0.0 5.72 730 684 A 73 LYS H A 72 LEU HBy 1.0 0.0 4.64 731 685 A 73 LYS H A 72 LEU HG 1.0 0.0 5.68 732 686 A 69 PHE H A 67 PHE HB2 1.0 0.0 5.83 733 686 A 67 PHE HB3 A 69 PHE H 1.0 0.0 5.83 734 687 A 67 PHE H A 68 ASN HA 1.0 0.0 4.96 735 688 A 66 GLU H A 67 PHE H 1.0 0.0 6.02 736 689 A 66 GLU H A 66 GLU HA 1.0 0.0 5.34 737 690 A 56 ARG H A 58 ASN H 1.0 0.0 5.52 738 691 A 54 ARG H A 54 ARG HGx 1.0 0.0 6.10 739 692 A 54 ARG H A 53 SER HA 1.0 0.0 5.85 740 693 A 52 PHE H A 51 LEU HA 1.0 0.0 5.23 741 694 A 49 PHE HA A 52 PHE H 1.0 0.0 5.02 742 695 A 52 PHE H A 52 PHE HD% 1.0 0.0 5.49 743 696 A 50 LEU H A 52 PHE H 1.0 0.0 5.12 744 697 A 51 LEU H A 53 SER H 1.0 0.0 5.69 745 698 A 50 LEU HD2% A 51 LEU H 1.0 0.0 5.41 746 699 A 50 LEU H A 49 PHE HA 1.0 0.0 5.92 747 700 A 48 GLU H A 50 LEU H 1.0 0.0 5.96 748 701 A 46 THR H A 50 LEU H 1.0 0.0 5.89 749 702 A 48 GLU H A 47 GLU HB2 1.0 0.0 4.34 750 702 A 48 GLU H A 47 GLU HB3 1.0 0.0 4.34 751 703 A 48 GLU H A 46 THR HB 1.0 0.0 4.53 752 704 A 48 GLU H A 46 THR HA 1.0 0.0 4.54 753 705 A 47 GLU H A 46 THR HB 1.0 0.0 4.20 754 706 A 47 GLU H A 46 THR HA 1.0 0.0 3.50 755 707 A 46 THR HG2% A 47 GLU H 1.0 0.0 5.07 756 708 A 46 THR H A 46 THR HB 1.0 0.0 5.31 757 709 A 46 THR H A 46 THR HA 1.0 0.0 4.92 758 710 A 46 THR H A 49 PHE HD% 1.0 0.0 5.34 759 711 A 46 THR H A 49 PHE H 1.0 0.0 6.30 760 712 A 46 THR H A 50 LEU H 1.0 0.0 5.65 761 713 A 45 MET H A 75 GLY H 1.0 0.0 5.31 762 714 A 45 MET H A 76 ASP H 1.0 0.0 5.44 763 715 A 45 MET H A 46 THR H 1.0 0.0 5.80 764 716 A 45 MET H A 74 ALA HA 1.0 0.0 5.64 765 717 A 44 GLU H A 97 VAL HG2% 1.0 0.0 5.64 766 718 A 44 GLU H A 97 VAL HA 1.0 0.0 5.59 767 719 A 43 ALA H A 44 GLU H 1.0 0.0 5.42 768 720 A 44 GLU H A 44 GLU HG2 1.0 0.0 6.30 769 720 A 44 GLU H A 44 GLU HG3 1.0 0.0 6.30 770 721 A 42 CYS HBx A 43 ALA H 1.0 0.0 6.25 771 722 A 43 ALA H A 44 GLU HG2 1.0 0.0 5.85 772 722 A 43 ALA H A 44 GLU HG3 1.0 0.0 5.85 773 723 A 43 ALA H A 44 GLU HA 1.0 0.0 5.66 774 724 A 43 ALA H A 80 LEU H 1.0 0.0 6.12 775 725 A 42 CYS H A 43 ALA H 1.0 0.0 6.30 776 726 A 35 ASP H A 33 VAL HA 1.0 0.0 5.78 777 727 A 34 GLN H A 32 ASP HA 1.0 0.0 5.83 778 728 A 32 ASP H A 31 THR HB 1.0 0.0 5.53 779 729 A 31 THR H A 30 GLN HGy 1.0 0.0 5.71 780 730 A 31 THR H A 31 THR HB 1.0 0.0 5.87 781 731 A 31 THR HA A 31 THR H 1.0 0.0 5.86 782 732 A 30 GLN H A 31 THR H 1.0 0.0 6.27 783 733 A 29 CYS HBx A 30 GLN H 1.0 0.0 5.51 784 734 A 30 GLN H A 30 GLN HGy 1.0 0.0 5.54 785 735 A 30 GLN H A 30 GLN HGx 1.0 0.0 4.85 786 736 A 29 CYS H A 29 CYS HA 1.0 0.0 5.84 787 737 A 28 PHE HD% A 29 CYS H 1.0 0.0 5.69 788 738 A 26 ASN H A 28 PHE H 1.0 0.0 5.34 789 739 A 24 TYR H A 26 ASN H 1.0 0.0 6.30 790 740 A 26 ASN H A 25 ARG HA 1.0 0.0 6.21 791 741 A 22 GLY H A 23 TRP H 1.0 0.0 5.78 792 742 A 11 ASP H A 12 LEU H 1.0 0.0 5.81 793 743 A 10 GLN H A 11 ASP HA 1.0 0.0 5.81 794 744 A 9 GLY H A 10 GLN HBx 1.0 0.0 5.89 795 745 A 8 LEU H A 6 ASN HA 1.0 0.0 5.42 796 746 A 6 ASN H A 9 GLY H 1.0 0.0 6.17 797 747 A 3 GLN HBy A 4 GLY H 1.0 0.0 6.30 798 748 A 85 TRP HE1 A 115 LEU HBx 1.0 0.0 5.39 799 749 A 115 LEU HD2% A 85 TRP HE1 1.0 0.0 4.44 800 750 A 45 MET H A 44 GLU HA 1.0 0.0 4.00 801 751 A 45 MET H A 45 MET HE% 1.0 0.0 4.51 802 752 A 45 MET H A 80 LEU HG 1.0 0.0 6.30 803 753 A 45 MET H A 80 LEU HBx 1.0 0.0 5.35 804 754 A 86 GLN H A 84 ARG HB2 1.0 0.0 6.30 805 754 A 84 ARG HB3 A 86 GLN H 1.0 0.0 6.30 806 755 A 115 LEU H A 114 ASP HA 1.0 0.0 4.99 807 756 A 115 LEU H A 113 ALA HA 1.0 0.0 6.30 808 757 A 115 LEU H A 110 VAL HG1% 1.0 0.0 4.67 809 758 A 115 LEU H A 112 LEU HG 1.0 0.0 5.78 810 759 A 115 LEU H A 117 ALA HB% 1.0 0.0 4.62 811 760 A 115 LEU H A 116 GLN HGx 1.0 0.0 4.81 812 761 A 115 LEU H A 116 GLN HGy 1.0 0.0 4.80 813 762 A 22 GLY HAx A 22 GLY HAy 1.0 0.0 4.06 814 763 A 124 GLU H A 124 GLU HA 1.0 0.0 4.28 815 764 A 124 GLU HA A 124 GLU HGx 1.0 0.0 4.68 816 765 A 3 GLN HA A 3 GLN HG2 1.0 0.0 3.79 817 765 A 3 GLN HA A 3 GLN HG3 1.0 0.0 3.79 818 766 A 36 ARG H A 36 ARG HBx 1.0 0.0 5.17 819 767 A 3 GLN HBy A 3 GLN HA 1.0 0.0 4.89 820 768 A 36 ARG HA A 36 ARG HBx 1.0 0.0 4.97 821 769 A 36 ARG HBx A 36 ARG HD2 1.0 0.0 5.51 822 769 A 36 ARG HBx A 36 ARG HD3 1.0 0.0 5.51 823 770 A 36 ARG HBy A 36 ARG HD2 1.0 0.0 5.26 824 770 A 36 ARG HD3 A 36 ARG HBy 1.0 0.0 5.26 825 771 A 3 GLN HBy A 3 GLN HBx 1.0 0.0 3.34 826 772 A 97 VAL H A 96 PRO HBx 1.0 0.0 5.40 827 773 A 42 CYS H A 41 VAL HB 1.0 0.0 4.60 828 774 A 96 PRO HA A 96 PRO HBx 1.0 0.0 4.66 829 775 A 93 MET HA A 93 MET HBy 1.0 0.0 4.81 830 776 A 3 GLN HA A 3 GLN HG2 1.0 0.0 4.88 831 776 A 3 GLN HA A 3 GLN HG3 1.0 0.0 4.88 832 777 A 96 PRO HBy A 96 PRO HBx 1.0 0.0 3.66 833 778 A 77 ARG HB2 A 77 ARG HG2 1.0 0.0 4.77 834 778 A 77 ARG HB3 A 77 ARG HG2 1.0 0.0 4.77 835 778 A 77 ARG HG3 A 77 ARG HB2 1.0 0.0 4.77 836 778 A 77 ARG HB3 A 77 ARG HG3 1.0 0.0 4.77 837 779 A 41 VAL HG1% A 41 VAL HB 1.0 0.0 4.30 838 780 A 41 VAL HG2% A 41 VAL HB 1.0 0.0 4.32 839 781 A 104 LYS H A 104 LYS HD2 1.0 0.0 5.48 840 781 A 104 LYS H A 104 LYS HD3 1.0 0.0 5.48 841 782 A 3 GLN HA A 3 GLN HBx 1.0 0.0 4.94 842 783 A 104 LYS HA A 104 LYS HD2 1.0 0.0 4.95 843 783 A 104 LYS HA A 104 LYS HD3 1.0 0.0 4.95 844 784 A 73 LYS HD3 A 73 LYS HE2 1.0 0.0 3.40 845 784 A 73 LYS HD2 A 73 LYS HE2 1.0 0.0 3.40 846 784 A 73 LYS HE3 A 73 LYS HD2 1.0 0.0 3.40 847 784 A 73 LYS HD3 A 73 LYS HE3 1.0 0.0 3.40 848 785 A 3 GLN HBy A 3 GLN HBx 1.0 0.0 3.08 849 786 A 4 GLY HAx A 5 GLN H 1.0 0.0 4.20 850 787 A 4 GLY H A 4 GLY HAx 1.0 0.0 4.96 851 788 A 4 GLY HAy A 4 GLY HAx 1.0 0.0 3.44 852 789 A 4 GLY HAy A 5 GLN H 1.0 0.0 4.34 853 790 A 4 GLY HAy A 4 GLY HAx 1.0 0.0 3.53 854 791 A 5 GLN HA A 6 ASN H 1.0 0.0 4.23 855 792 A 5 GLN H A 5 GLN HBx 1.0 0.0 5.02 856 793 A 5 GLN HBx A 6 ASN H 1.0 0.0 5.50 857 794 A 5 GLN HA A 5 GLN HBx 1.0 0.0 4.97 858 795 A 5 GLN HA A 5 GLN HGy 1.0 0.0 5.00 859 796 A 10 GLN HGy A 10 GLN HBx 1.0 0.0 3.71 860 797 A 5 GLN H A 5 GLN HBy 1.0 0.0 5.13 861 798 A 6 ASN H A 5 GLN HBy 1.0 0.0 5.63 862 799 A 122 VAL H A 122 VAL HB 1.0 0.0 3.90 863 800 A 5 GLN HA A 5 GLN HBy 1.0 0.0 4.89 864 801 A 122 VAL HA A 122 VAL HB 1.0 0.0 4.38 865 802 A 122 VAL HB A 122 VAL HG1% 1.0 0.0 3.35 866 802 A 122 VAL HB A 122 VAL HG2% 1.0 0.0 3.35 867 803 A 5 GLN HGx A 6 ASN H 1.0 0.0 5.45 868 804 A 5 GLN HE2y A 5 GLN HGx 1.0 0.0 5.32 869 805 A 5 GLN HGx A 5 GLN HA 1.0 0.0 4.75 870 806 A 10 GLN HBx A 10 GLN HGx 1.0 0.0 4.01 871 807 A 6 ASN HA A 7 VAL H 1.0 0.0 4.96 872 808 A 6 ASN HA A 6 ASN HBy 1.0 0.0 4.95 873 809 A 6 ASN HA A 6 ASN HBx 1.0 0.0 4.92 874 810 A 6 ASN HBx A 7 VAL H 1.0 0.0 5.19 875 811 A 6 ASN HA A 6 ASN HBx 1.0 0.0 5.54 876 812 A 6 ASN HBy A 6 ASN HBx 1.0 0.0 4.59 877 813 A 6 ASN HBy A 7 VAL H 1.0 0.0 4.91 878 814 A 6 ASN HA A 6 ASN HBy 1.0 0.0 5.22 879 815 A 6 ASN HBy A 6 ASN HBx 1.0 0.0 4.54 880 816 A 9 GLY H A 7 VAL HA 1.0 0.0 5.33 881 817 A 7 VAL H A 7 VAL HA 1.0 0.0 4.85 882 818 A 7 VAL HA A 7 VAL HB 1.0 0.0 4.09 883 819 A 33 VAL HA A 33 VAL HG1% 1.0 0.0 3.85 884 819 A 33 VAL HG2% A 33 VAL HA 1.0 0.0 3.85 885 820 A 7 VAL HA A 7 VAL HG1% 1.0 0.0 3.79 886 821 A 8 LEU H A 7 VAL HG1% 1.0 0.0 4.66 887 822 A 7 VAL H A 7 VAL HG1% 1.0 0.0 4.01 888 823 A 7 VAL HA A 7 VAL HG1% 1.0 0.0 4.65 889 824 A 7 VAL HG1% A 7 VAL HB 1.0 0.0 3.91 890 825 A 7 VAL H A 7 VAL HG2% 1.0 0.0 4.24 891 826 A 123 LEU HA A 123 LEU HD2% 1.0 0.0 3.75 892 827 A 7 VAL HA A 7 VAL HG2% 1.0 0.0 4.01 893 828 A 7 VAL HB A 7 VAL HG2% 1.0 0.0 3.99 894 829 A 8 LEU HBx A 8 LEU HD2% 1.0 0.0 3.48 895 830 A 112 LEU HD2% A 112 LEU HG 1.0 0.0 3.45 896 831 A 10 GLN H A 10 GLN HBy 1.0 0.0 4.81 897 832 A 65 PRO HA A 65 PRO HBy 1.0 0.0 4.11 898 833 A 7 VAL HA A 7 VAL HB 1.0 0.0 4.27 899 834 A 65 PRO HBy A 65 PRO HDx 1.0 0.0 5.13 900 835 A 65 PRO HBy A 65 PRO HBx 1.0 0.0 3.29 901 836 A 7 VAL HG1% A 7 VAL HB 1.0 0.0 3.54 902 837 A 73 LYS HA A 74 ALA H 1.0 0.0 3.74 903 838 A 73 LYS HA A 73 LYS HB2 1.0 0.0 3.72 904 838 A 73 LYS HA A 73 LYS HB3 1.0 0.0 3.72 905 839 A 73 LYS HA A 73 LYS HGy 1.0 0.0 4.27 906 840 A 8 LEU HA A 8 LEU HD1% 1.0 0.0 3.63 907 841 A 8 LEU H A 8 LEU HD2% 1.0 0.0 4.83 908 842 A 7 VAL H A 8 LEU HD2% 1.0 0.0 5.12 909 843 A 8 LEU HA A 8 LEU HD2% 1.0 0.0 4.76 910 844 A 8 LEU HG A 8 LEU HD2% 1.0 0.0 3.66 911 845 A 8 LEU H A 8 LEU HBx 1.0 0.0 5.38 912 846 A 8 LEU HA A 8 LEU HBx 1.0 0.0 4.90 913 847 A 8 LEU HBx A 8 LEU HD2% 1.0 0.0 4.28 914 848 A 8 LEU H A 8 LEU HD1% 1.0 0.0 4.81 915 849 A 8 LEU HD1% A 8 LEU HBx 1.0 0.0 4.05 916 850 A 8 LEU HG A 8 LEU HD1% 1.0 0.0 3.56 917 851 A 112 LEU H A 112 LEU HBy 1.0 0.0 4.54 918 852 A 8 LEU H A 8 LEU HBy 1.0 0.0 5.24 919 853 A 8 LEU HA A 8 LEU HBy 1.0 0.0 5.04 920 854 A 8 LEU HBx A 8 LEU HBy 1.0 0.0 3.96 921 855 A 112 LEU HBx A 112 LEU HBy 1.0 0.0 3.76 922 856 A 112 LEU HBy A 112 LEU HD2% 1.0 0.0 4.14 923 857 A 8 LEU H A 8 LEU HG 1.0 0.0 4.55 924 858 A 8 LEU HA A 8 LEU HG 1.0 0.0 5.08 925 859 A 108 ARG HA A 108 ARG HGx 1.0 0.0 4.55 926 860 A 108 ARG HGx A 108 ARG HDx 1.0 0.0 4.27 927 861 A 8 LEU HG A 8 LEU HBx 1.0 0.0 4.29 928 862 A 108 ARG HBy A 108 ARG HGx 1.0 0.0 3.32 929 863 A 8 LEU HG A 8 LEU HD1% 1.0 0.0 3.52 930 864 A 9 GLY H A 9 GLY HAx 1.0 0.0 4.40 931 865 A 93 MET H A 92 GLY HAx 1.0 0.0 5.18 932 866 A 10 GLN H A 9 GLY HAx 1.0 0.0 5.02 933 867 A 9 GLY HAy A 9 GLY HAx 1.0 0.0 3.48 934 868 A 92 GLY HAy A 92 GLY HAx 1.0 0.0 3.71 935 869 A 27 GLY H A 27 GLY HAy 1.0 0.0 5.18 936 870 A 9 GLY H A 9 GLY HAy 1.0 0.0 4.35 937 871 A 9 GLY HAy A 10 GLN H 1.0 0.0 4.73 938 872 A 27 GLY HAy A 27 GLY HAx 1.0 0.0 4.18 939 873 A 9 GLY HAy A 9 GLY HAx 1.0 0.0 3.43 940 874 A 14 VAL HGy% A 27 GLY HAy 1.0 0.0 5.07 941 875 A 11 ASP H A 10 GLN HGy 1.0 0.0 5.13 942 876 A 10 GLN H A 10 GLN HGy 1.0 0.0 4.85 943 877 A 11 ASP H A 10 GLN HBy 1.0 0.0 4.66 944 878 A 10 GLN HBy A 10 GLN HBx 1.0 0.0 4.91 945 879 A 11 ASP H A 10 GLN HGx 1.0 0.0 5.34 946 880 A 10 GLN H A 10 GLN HGx 1.0 0.0 5.12 947 881 A 11 ASP HA A 11 ASP HB2 1.0 0.0 4.79 948 881 A 11 ASP HB3 A 11 ASP HA 1.0 0.0 4.79 949 882 A 11 ASP H A 11 ASP HB2 1.0 0.0 4.76 950 882 A 11 ASP H A 11 ASP HB3 1.0 0.0 4.76 951 883 A 11 ASP HA A 11 ASP HB2 1.0 0.0 4.85 952 883 A 11 ASP HB3 A 11 ASP HA 1.0 0.0 4.85 953 884 A 82 ALA HA A 82 ALA HB% 1.0 0.0 4.01 954 885 A 41 VAL HG1% A 82 ALA HA 1.0 0.0 3.79 955 886 A 12 LEU H A 12 LEU HBx 1.0 0.0 4.96 956 887 A 12 LEU HA A 12 LEU HBx 1.0 0.0 5.41 957 888 A 12 LEU HBy A 12 LEU HBx 1.0 0.0 4.37 958 889 A 12 LEU H A 12 LEU HBy 1.0 0.0 4.95 959 890 A 12 LEU HA A 12 LEU HBy 1.0 0.0 5.46 960 891 A 12 LEU HBy A 12 LEU HBx 1.0 0.0 4.15 961 892 A 112 LEU HBx A 112 LEU HD1% 1.0 0.0 3.60 962 893 A 47 GLU H A 47 GLU HGy 1.0 0.0 4.92 963 894 A 48 GLU H A 48 GLU HGx 1.0 0.0 4.77 964 895 A 90 GLU H A 90 GLU HGx 1.0 0.0 5.01 965 896 A 13 GLU H A 13 GLU HGy 1.0 0.0 4.73 966 897 A 47 GLU HA A 47 GLU HGy 1.0 0.0 4.11 967 898 A 90 GLU HGx A 90 GLU HA 1.0 0.0 4.46 968 899 A 90 GLU HGy A 90 GLU HGx 1.0 0.0 3.43 969 900 A 47 GLU HGy A 47 GLU HB2 1.0 0.0 3.08 970 900 A 47 GLU HB3 A 47 GLU HGy 1.0 0.0 3.08 971 901 A 74 ALA HB% A 47 GLU HGy 1.0 0.0 4.56 972 902 A 47 GLU HGy A 51 LEU HD1% 1.0 0.0 4.30 973 903 A 47 GLU H A 47 GLU HGx 1.0 0.0 5.04 974 904 A 13 GLU H A 13 GLU HGx 1.0 0.0 5.35 975 905 A 13 GLU HA A 13 GLU HGx 1.0 0.0 5.11 976 906 A 47 GLU HGx A 47 GLU HB2 1.0 0.0 3.33 977 906 A 47 GLU HB3 A 47 GLU HGx 1.0 0.0 3.33 978 907 A 51 LEU HBx A 47 GLU HGx 1.0 0.0 4.59 979 908 A 74 ALA HB% A 47 GLU HGx 1.0 0.0 4.51 980 909 A 51 LEU HD1% A 47 GLU HGx 1.0 0.0 4.38 981 910 A 50 LEU HD2% A 47 GLU HGx 1.0 0.0 5.52 982 911 A 14 VAL HA A 15 CYS H 1.0 0.0 4.35 983 912 A 14 VAL HA A 28 PHE HA 1.0 0.0 5.53 984 913 A 14 VAL HA A 14 VAL HB 1.0 0.0 4.66 985 914 A 14 VAL HA A 14 VAL HGx% 1.0 0.0 5.54 986 915 A 14 VAL HA A 14 VAL HGy% 1.0 0.0 4.53 987 916 A 14 VAL HGy% A 15 CYS H 1.0 0.0 4.24 988 917 A 14 VAL HGy% A 16 CYS H 1.0 0.0 4.71 989 918 A 14 VAL HGy% A 28 PHE HD% 1.0 0.0 5.27 990 919 A 14 VAL HGy% A 28 PHE HA 1.0 0.0 5.33 991 920 A 14 VAL HGy% A 16 CYS HA 1.0 0.0 4.68 992 921 A 14 VAL HGy% A 27 GLY HAx 1.0 0.0 5.16 993 922 A 14 VAL HA A 14 VAL HGy% 1.0 0.0 4.08 994 923 A 14 VAL HB A 14 VAL HGy% 1.0 0.0 3.98 995 924 A 14 VAL HGx% A 14 VAL HGy% 1.0 0.0 3.75 996 925 A 14 VAL H A 14 VAL HGx% 1.0 0.0 3.94 997 926 A 14 VAL HGx% A 16 CYS H 1.0 0.0 5.62 998 927 A 13 GLU HA A 14 VAL HGx% 1.0 0.0 5.34 999 928 A 14 VAL HGx% A 27 GLY HAy 1.0 0.0 5.62 1000 929 A 14 VAL HA A 14 VAL HGx% 1.0 0.0 4.81 1001 930 A 14 VAL HB A 14 VAL HGx% 1.0 0.0 3.86 1002 931 A 14 VAL HGx% A 14 VAL HGy% 1.0 0.0 3.37 1003 932 A 14 VAL H A 14 VAL HB 1.0 0.0 3.95 1004 933 A 13 GLU HA A 14 VAL HB 1.0 0.0 5.58 1005 934 A 14 VAL HA A 14 VAL HB 1.0 0.0 4.38 1006 935 A 14 VAL HB A 14 VAL HGx% 1.0 0.0 4.00 1007 936 A 14 VAL HB A 14 VAL HGy% 1.0 0.0 4.09 1008 937 A 15 CYS H A 15 CYS HBy 1.0 0.0 5.64 1009 938 A 26 ASN HA A 26 ASN HBy 1.0 0.0 4.86 1010 939 A 26 ASN HBy A 26 ASN HBx 1.0 0.0 4.26 1011 940 A 15 CYS HBy A 15 CYS HBx 1.0 0.0 4.59 1012 941 A 83 SER H A 83 SER HA 1.0 0.0 4.39 1013 942 A 42 CYS H A 41 VAL HA 1.0 0.0 4.41 1014 943 A 38 SER HBx A 38 SER HBy 1.0 0.0 4.24 1015 944 A 11 ASP H A 10 GLN HBx 1.0 0.0 4.97 1016 945 A 10 GLN H A 10 GLN HBx 1.0 0.0 4.53 1017 946 A 124 GLU HA A 124 GLU HBy 1.0 0.0 4.71 1018 947 A 10 GLN HBy A 10 GLN HBx 1.0 0.0 3.76 1019 948 A 17 CYS H A 17 CYS HBx 1.0 0.0 5.58 1020 949 A 17 CYS HBx A 17 CYS HA 1.0 0.0 5.37 1021 950 A 17 CYS HBx A 17 CYS HBy 1.0 0.0 3.81 1022 951 A 17 CYS H A 17 CYS HBy 1.0 0.0 5.65 1023 952 A 17 CYS HA A 17 CYS HBy 1.0 0.0 5.00 1024 953 A 17 CYS HBx A 17 CYS HBy 1.0 0.0 3.77 1025 954 A 18 ALA H A 18 ALA HB% 1.0 0.0 4.43 1026 955 A 18 ALA HA A 18 ALA HB% 1.0 0.0 3.63 1027 956 A 18 ALA HA A 18 ALA HB% 1.0 0.0 4.04 1028 957 A 20 MET H A 19 PRO HA 1.0 0.0 4.09 1029 958 A 19 PRO HA A 19 PRO HBy 1.0 0.0 4.48 1030 959 A 19 PRO HA A 19 PRO HBx 1.0 0.0 4.89 1031 960 A 20 MET H A 19 PRO HBx 1.0 0.0 5.66 1032 961 A 19 PRO HA A 19 PRO HBx 1.0 0.0 4.64 1033 962 A 19 PRO HBy A 19 PRO HBx 1.0 0.0 3.56 1034 963 A 19 PRO HBx A 19 PRO HGx 1.0 0.0 3.84 1035 964 A 93 MET HBx A 93 MET HBy 1.0 0.0 3.91 1036 965 A 100 GLN H A 100 GLN HB2 1.0 0.0 4.90 1037 965 A 100 GLN H A 100 GLN HB3 1.0 0.0 4.90 1038 966 A 62 THR HA A 63 PRO HGy 1.0 0.0 4.69 1039 967 A 100 GLN HA A 100 GLN HB2 1.0 0.0 4.23 1040 967 A 100 GLN HB3 A 100 GLN HA 1.0 0.0 4.23 1041 968 A 19 PRO HDy A 19 PRO HGy 1.0 0.0 3.73 1042 969 A 63 PRO HGy A 63 PRO HDx 1.0 0.0 3.77 1043 970 A 65 PRO HDx A 65 PRO HGx 1.0 0.0 4.40 1044 971 A 65 PRO HBy A 65 PRO HGx 1.0 0.0 4.01 1045 972 A 18 ALA HB% A 19 PRO HGy 1.0 0.0 5.04 1046 973 A 64 ARG HA A 65 PRO HDy 1.0 0.0 4.23 1047 974 A 120 LEU HA A 121 PRO HDy 1.0 0.0 3.93 1048 975 A 121 PRO HDy A 121 PRO HDx 1.0 0.0 3.35 1049 976 A 19 PRO HDy A 19 PRO HDx 1.0 0.0 3.98 1050 977 A 65 PRO HDx A 65 PRO HDy 1.0 0.0 3.62 1051 978 A 65 PRO HGx A 65 PRO HDy 1.0 0.0 3.66 1052 979 A 50 LEU H A 50 LEU HG 1.0 0.0 4.87 1053 980 A 63 PRO HDy A 63 PRO HGx 1.0 0.0 4.70 1054 981 A 63 PRO HDx A 63 PRO HGx 1.0 0.0 4.57 1055 982 A 50 LEU HG A 50 LEU HD2% 1.0 0.0 4.39 1056 983 A 19 PRO HDy A 19 PRO HDx 1.0 0.0 3.82 1057 984 A 19 PRO HGx A 19 PRO HDx 1.0 0.0 4.99 1058 985 A 94 ALA HB% A 94 ALA HA 1.0 0.0 4.62 1059 986 A 21 THR HA A 21 THR HB 1.0 0.0 5.16 1060 987 A 21 THR HG2% A 21 THR HB 1.0 0.0 4.70 1061 988 A 90 GLU H A 86 GLN HA 1.0 0.0 5.02 1062 989 A 86 GLN HA A 88 ALA H 1.0 0.0 4.51 1063 990 A 66 GLU HA A 66 GLU HBy 1.0 0.0 3.91 1064 991 A 21 THR HG2% A 21 THR HA 1.0 0.0 5.01 1065 992 A 16 CYS H A 21 THR HG2% 1.0 0.0 4.46 1066 993 A 16 CYS HA A 21 THR HG2% 1.0 0.0 5.08 1067 994 A 21 THR HG2% A 21 THR HB 1.0 0.0 4.29 1068 995 A 15 CYS HBy A 21 THR HG2% 1.0 0.0 5.46 1069 996 A 15 CYS HBx A 21 THR HG2% 1.0 0.0 4.88 1070 997 A 22 GLY HAy A 23 TRP H 1.0 0.0 5.03 1071 998 A 59 ASP H A 59 ASP HBx 1.0 0.0 5.06 1072 999 A 26 ASN HD2y A 26 ASN HBx 1.0 0.0 5.50 1073 1000 A 26 ASN HA A 26 ASN HBx 1.0 0.0 4.67 1074 1001 A 26 ASN HBy A 26 ASN HBx 1.0 0.0 4.22 1075 1002 A 59 ASP HBx A 59 ASP HBy 1.0 0.0 3.97 1076 1003 A 49 PHE H A 49 PHE HBy 1.0 0.0 4.97 1077 1004 A 26 ASN HD2y A 26 ASN HBy 1.0 0.0 5.49 1078 1005 A 49 PHE HD% A 49 PHE HBy 1.0 0.0 4.91 1079 1006 A 46 THR H A 49 PHE HBy 1.0 0.0 5.34 1080 1007 A 49 PHE HBx A 49 PHE HBy 1.0 0.0 4.32 1081 1008 A 27 GLY H A 27 GLY HAx 1.0 0.0 5.11 1082 1009 A 27 GLY HAy A 27 GLY HAx 1.0 0.0 4.13 1083 1010 A 92 GLY HAy A 92 GLY HAx 1.0 0.0 3.65 1084 1011 A 14 VAL HGy% A 27 GLY HAx 1.0 0.0 5.24 1085 1012 A 28 PHE HBx A 28 PHE H 1.0 0.0 5.62 1086 1013 A 28 PHE HBx A 28 PHE HD% 1.0 0.0 5.26 1087 1014 A 28 PHE HBx A 28 PHE HBy 1.0 0.0 4.32 1088 1015 A 28 PHE H A 28 PHE HBy 1.0 0.0 5.39 1089 1016 A 28 PHE HD% A 28 PHE HBy 1.0 0.0 5.20 1090 1017 A 28 PHE HBx A 28 PHE HBy 1.0 0.0 4.75 1091 1018 A 36 ARG HGy A 36 ARG HD2 1.0 0.0 3.59 1092 1018 A 36 ARG HGy A 36 ARG HD3 1.0 0.0 3.59 1093 1019 A 29 CYS HA A 30 GLN H 1.0 0.0 5.23 1094 1020 A 29 CYS HBx A 29 CYS HA 1.0 0.0 5.66 1095 1021 A 29 CYS HBx A 29 CYS HBy 1.0 0.0 4.42 1096 1022 A 86 GLN HGy A 86 GLN HGx 1.0 0.0 3.73 1097 1023 A 29 CYS HBx A 29 CYS HBy 1.0 0.0 4.47 1098 1024 A 30 GLN HA A 31 THR H 1.0 0.0 4.22 1099 1025 A 87 GLU H A 87 GLU HB2 1.0 0.0 4.82 1100 1025 A 87 GLU H A 87 GLU HB3 1.0 0.0 4.82 1101 1026 A 88 ALA H A 87 GLU HB2 1.0 0.0 5.02 1102 1026 A 87 GLU HB3 A 88 ALA H 1.0 0.0 5.02 1103 1027 A 30 GLN H A 30 GLN HB2 1.0 0.0 5.05 1104 1027 A 30 GLN H A 30 GLN HB3 1.0 0.0 5.05 1105 1028 A 121 PRO HBy A 121 PRO HBx 1.0 0.0 3.20 1106 1029 A 30 GLN HA A 30 GLN HGy 1.0 0.0 5.17 1107 1030 A 34 GLN HGy A 34 GLN HB2 1.0 0.0 3.13 1108 1030 A 34 GLN HB3 A 34 GLN HGy 1.0 0.0 3.13 1109 1031 A 116 GLN H A 116 GLN HGy 1.0 0.0 4.34 1110 1032 A 116 GLN HE2y A 116 GLN HGy 1.0 0.0 4.81 1111 1033 A 116 GLN HE2x A 116 GLN HGy 1.0 0.0 5.33 1112 1034 A 113 ALA HA A 116 GLN HGy 1.0 0.0 5.51 1113 1035 A 116 GLN HGy A 116 GLN HA 1.0 0.0 4.60 1114 1036 A 116 GLN HGy A 116 GLN HBy 1.0 0.0 3.14 1115 1037 A 116 GLN HGy A 116 GLN HBx 1.0 0.0 4.04 1116 1038 A 112 LEU HBy A 116 GLN HGy 1.0 0.0 5.11 1117 1039 A 116 GLN HGy A 112 LEU HG 1.0 0.0 4.49 1118 1040 A 112 LEU HD2% A 116 GLN HGy 1.0 0.0 4.05 1119 1041 A 116 GLN HGy A 99 LEU HD1% 1.0 0.0 5.10 1120 1041 A 99 LEU HD2% A 116 GLN HGy 1.0 0.0 5.10 1121 1042 A 31 THR H A 31 THR HB 1.0 0.0 5.39 1122 1043 A 31 THR HA A 31 THR HB 1.0 0.0 4.97 1123 1044 A 40 THR HG2% A 31 THR HB 1.0 0.0 4.86 1124 1045 A 31 THR HG2% A 31 THR HB 1.0 0.0 4.43 1125 1046 A 31 THR HG2% A 31 THR H 1.0 0.0 4.30 1126 1047 A 32 ASP H A 31 THR HG2% 1.0 0.0 5.11 1127 1048 A 31 THR HG2% A 32 ASP HA 1.0 0.0 4.76 1128 1049 A 31 THR HG2% A 31 THR HB 1.0 0.0 4.16 1129 1050 A 54 ARG HGx A 54 ARG HDx 1.0 0.0 3.94 1130 1051 A 54 ARG HBx A 54 ARG HDy 1.0 0.0 4.86 1131 1052 A 54 ARG HGx A 54 ARG HDy 1.0 0.0 4.14 1132 1053 A 111 SER H A 111 SER HBx 1.0 0.0 3.93 1133 1054 A 34 GLN H A 33 VAL HA 1.0 0.0 5.27 1134 1055 A 33 VAL H A 33 VAL HA 1.0 0.0 4.71 1135 1056 A 101 SER H A 101 SER HBy 1.0 0.0 4.82 1136 1057 A 111 SER HBx A 111 SER HA 1.0 0.0 4.00 1137 1058 A 101 SER HBy A 101 SER HBx 1.0 0.0 4.77 1138 1059 A 33 VAL HA A 33 VAL HB 1.0 0.0 4.00 1139 1060 A 34 GLN H A 33 VAL HG1% 1.0 0.0 4.40 1140 1060 A 34 GLN H A 33 VAL HG2% 1.0 0.0 4.40 1141 1061 A 33 VAL H A 33 VAL HG1% 1.0 0.0 3.99 1142 1061 A 33 VAL HG2% A 33 VAL H 1.0 0.0 3.99 1143 1062 A 33 VAL HA A 33 VAL HG1% 1.0 0.0 3.82 1144 1062 A 33 VAL HG2% A 33 VAL HA 1.0 0.0 3.82 1145 1063 A 33 VAL HG1% A 34 GLN HB2 1.0 0.0 4.90 1146 1063 A 33 VAL HG2% A 34 GLN HB2 1.0 0.0 4.90 1147 1063 A 34 GLN HB3 A 33 VAL HG1% 1.0 0.0 4.90 1148 1063 A 34 GLN HB3 A 33 VAL HG2% 1.0 0.0 4.90 1149 1064 A 33 VAL HB A 33 VAL HG1% 1.0 0.0 3.57 1150 1064 A 33 VAL HG2% A 33 VAL HB 1.0 0.0 3.57 1151 1065 A 34 GLN H A 33 VAL HB 1.0 0.0 5.48 1152 1066 A 33 VAL H A 33 VAL HB 1.0 0.0 4.47 1153 1067 A 93 MET H A 93 MET HGy 1.0 0.0 5.58 1154 1068 A 52 PHE HD% A 93 MET HGy 1.0 0.0 5.02 1155 1069 A 93 MET HA A 93 MET HGy 1.0 0.0 5.39 1156 1070 A 33 VAL HA A 33 VAL HB 1.0 0.0 3.97 1157 1071 A 93 MET HGy A 93 MET HGx 1.0 0.0 3.50 1158 1072 A 19 PRO HBy A 19 PRO HBx 1.0 0.0 3.55 1159 1073 A 88 ALA HB% A 93 MET HGy 1.0 0.0 5.43 1160 1074 A 33 VAL HB A 33 VAL HG1% 1.0 0.0 3.43 1161 1074 A 33 VAL HG2% A 33 VAL HB 1.0 0.0 3.43 1162 1075 A 93 MET HGy A 93 MET HBx 1.0 0.0 4.81 1163 1076 A 34 GLN H A 34 GLN HA 1.0 0.0 4.91 1164 1077 A 34 GLN HA A 34 GLN HB2 1.0 0.0 4.14 1165 1077 A 34 GLN HB3 A 34 GLN HA 1.0 0.0 4.14 1166 1078 A 100 GLN HA A 100 GLN HB2 1.0 0.0 4.19 1167 1078 A 100 GLN HB3 A 100 GLN HA 1.0 0.0 4.19 1168 1079 A 34 GLN H A 34 GLN HB2 1.0 0.0 5.37 1169 1079 A 34 GLN H A 34 GLN HB3 1.0 0.0 5.37 1170 1080 A 34 GLN HA A 34 GLN HB2 1.0 0.0 4.98 1171 1080 A 34 GLN HB3 A 34 GLN HA 1.0 0.0 4.98 1172 1081 A 34 GLN HGy A 34 GLN HB2 1.0 0.0 4.43 1173 1081 A 34 GLN HB3 A 34 GLN HGy 1.0 0.0 4.43 1174 1082 A 34 GLN H A 34 GLN HGy 1.0 0.0 5.03 1175 1083 A 34 GLN HA A 34 GLN HGy 1.0 0.0 4.79 1176 1084 A 100 GLN HGy A 100 GLN HB2 1.0 0.0 4.33 1177 1084 A 100 GLN HB3 A 100 GLN HGy 1.0 0.0 4.33 1178 1085 A 34 GLN HGy A 33 VAL HG1% 1.0 0.0 4.88 1179 1085 A 33 VAL HG2% A 34 GLN HGy 1.0 0.0 4.88 1180 1086 A 34 GLN H A 34 GLN HGx 1.0 0.0 4.92 1181 1087 A 100 GLN HE2y A 100 GLN HGx 1.0 0.0 4.94 1182 1088 A 34 GLN HA A 34 GLN HGx 1.0 0.0 4.74 1183 1089 A 34 GLN HGx A 33 VAL HG1% 1.0 0.0 4.97 1184 1089 A 33 VAL HG2% A 34 GLN HGx 1.0 0.0 4.97 1185 1090 A 36 ARG H A 36 ARG HA 1.0 0.0 4.91 1186 1091 A 36 ARG HA A 36 ARG HBx 1.0 0.0 4.22 1187 1092 A 36 ARG H A 36 ARG HGy 1.0 0.0 5.19 1188 1093 A 36 ARG HA A 36 ARG HGy 1.0 0.0 5.26 1189 1094 A 36 ARG HGy A 36 ARG HD2 1.0 0.0 4.46 1190 1094 A 36 ARG HGy A 36 ARG HD3 1.0 0.0 4.46 1191 1095 A 36 ARG H A 36 ARG HGx 1.0 0.0 5.04 1192 1096 A 36 ARG HA A 36 ARG HGx 1.0 0.0 4.96 1193 1097 A 36 ARG HGx A 36 ARG HD2 1.0 0.0 4.35 1194 1097 A 36 ARG HD3 A 36 ARG HGx 1.0 0.0 4.35 1195 1098 A 64 ARG HA A 64 ARG HD2 1.0 0.0 5.53 1196 1098 A 64 ARG HA A 64 ARG HD3 1.0 0.0 5.53 1197 1099 A 36 ARG HA A 36 ARG HD2 1.0 0.0 4.98 1198 1099 A 36 ARG HA A 36 ARG HD3 1.0 0.0 4.98 1199 1100 A 36 ARG H A 36 ARG HBy 1.0 0.0 5.16 1200 1101 A 36 ARG HA A 36 ARG HBy 1.0 0.0 4.77 1201 1102 A 37 GLY H A 37 GLY HAx 1.0 0.0 5.13 1202 1103 A 37 GLY HAy A 37 GLY HAx 1.0 0.0 4.03 1203 1104 A 99 LEU H A 99 LEU HA 1.0 0.0 5.15 1204 1105 A 99 LEU HA A 102 THR H 1.0 0.0 5.64 1205 1106 A 38 SER H A 38 SER HA 1.0 0.0 4.86 1206 1107 A 99 LEU HA A 102 THR HB 1.0 0.0 4.51 1207 1108 A 102 THR HG2% A 99 LEU HA 1.0 0.0 4.56 1208 1109 A 99 LEU HA A 99 LEU HD1% 1.0 0.0 4.02 1209 1109 A 99 LEU HA A 99 LEU HD2% 1.0 0.0 4.02 1210 1110 A 97 VAL HG2% A 99 LEU HA 1.0 0.0 4.66 1211 1111 A 38 SER HBx A 38 SER HBy 1.0 0.0 4.21 1212 1112 A 40 THR HG2% A 40 THR HB 1.0 0.0 4.39 1213 1113 A 43 ALA H A 43 ALA HB% 1.0 0.0 4.30 1214 1114 A 43 ALA HA A 43 ALA HB% 1.0 0.0 3.94 1215 1115 A 40 THR HG2% A 40 THR HA 1.0 0.0 3.72 1216 1116 A 40 THR HG2% A 31 THR HB 1.0 0.0 4.55 1217 1117 A 103 GLU HBy A 40 THR HG2% 1.0 0.0 4.76 1218 1118 A 43 ALA HB% A 80 LEU HG 1.0 0.0 3.93 1219 1119 A 43 ALA HB% A 97 VAL HG2% 1.0 0.0 4.42 1220 1120 A 41 VAL HA A 102 THR HG2% 1.0 0.0 4.13 1221 1121 A 41 VAL HA A 41 VAL HG2% 1.0 0.0 4.84 1222 1122 A 42 CYS H A 41 VAL HG2% 1.0 0.0 4.48 1223 1123 A 41 VAL HG2% A 40 THR HB 1.0 0.0 5.45 1224 1124 A 41 VAL HA A 41 VAL HG2% 1.0 0.0 4.30 1225 1125 A 41 VAL HG2% A 109 TYR HBx 1.0 0.0 5.31 1226 1126 A 41 VAL HG2% A 41 VAL HB 1.0 0.0 3.98 1227 1127 A 41 VAL HG2% A 106 ALA HB% 1.0 0.0 4.13 1228 1128 A 41 VAL HG2% A 80 LEU HDx% 1.0 0.0 5.02 1229 1129 A 41 VAL HG1% A 41 VAL HG2% 1.0 0.0 3.71 1230 1130 A 41 VAL HA A 41 VAL HG1% 1.0 0.0 4.68 1231 1131 A 41 VAL HG1% A 82 ALA HA 1.0 0.0 4.13 1232 1132 A 41 VAL HG1% A 85 TRP HB2 1.0 0.0 5.54 1233 1132 A 41 VAL HG1% A 85 TRP HB3 1.0 0.0 5.54 1234 1133 A 41 VAL HG1% A 41 VAL HB 1.0 0.0 5.00 1235 1134 A 41 VAL HG1% A 82 ALA HB% 1.0 0.0 5.27 1236 1135 A 102 THR HG2% A 41 VAL HG1% 1.0 0.0 3.96 1237 1136 A 41 VAL HG1% A 80 LEU HDx% 1.0 0.0 4.12 1238 1137 A 41 VAL HG1% A 41 VAL HG2% 1.0 0.0 3.97 1239 1138 A 42 CYS H A 42 CYS HBx 1.0 0.0 5.53 1240 1139 A 42 CYS HBy A 42 CYS HBx 1.0 0.0 4.51 1241 1140 A 42 CYS H A 42 CYS HBy 1.0 0.0 5.13 1242 1141 A 52 PHE HBx A 52 PHE HD% 1.0 0.0 5.44 1243 1142 A 52 PHE HBy A 52 PHE HBx 1.0 0.0 4.46 1244 1143 A 42 CYS HBy A 42 CYS HBx 1.0 0.0 4.49 1245 1144 A 43 ALA HB% A 44 GLU H 1.0 0.0 4.30 1246 1145 A 43 ALA HB% A 85 TRP HD1 1.0 0.0 4.95 1247 1146 A 45 MET HGx A 43 ALA HB% 1.0 0.0 4.90 1248 1147 A 43 ALA HA A 98 VAL H 1.0 0.0 5.10 1249 1148 A 43 ALA HA A 44 GLU H 1.0 0.0 4.40 1250 1149 A 43 ALA HA A 43 ALA HB% 1.0 0.0 4.22 1251 1150 A 45 MET HA A 44 GLU HB2 1.0 0.0 5.65 1252 1150 A 45 MET HA A 44 GLU HB3 1.0 0.0 5.65 1253 1151 A 70 PRO HA A 70 PRO HBx 1.0 0.0 4.48 1254 1152 A 45 MET H A 44 GLU HG2 1.0 0.0 5.47 1255 1152 A 45 MET H A 44 GLU HG3 1.0 0.0 5.47 1256 1153 A 75 GLY HAx A 44 GLU HG2 1.0 0.0 5.61 1257 1153 A 44 GLU HG3 A 75 GLY HAx 1.0 0.0 5.61 1258 1154 A 45 MET HA A 45 MET HBx 1.0 0.0 6.21 1259 1155 A 45 MET HBx A 45 MET HBy 1.0 0.0 4.58 1260 1156 A 45 MET H A 45 MET HE% 1.0 0.0 5.61 1261 1157 A 45 MET HE% A 88 ALA H 1.0 0.0 5.64 1262 1158 A 45 MET HA A 45 MET HE% 1.0 0.0 4.91 1263 1159 A 45 MET HE% A 45 MET HGy 1.0 0.0 4.70 1264 1160 A 45 MET HE% A 80 LEU HDx% 1.0 0.0 4.83 1265 1161 A 45 MET H A 45 MET HGx 1.0 0.0 5.45 1266 1162 A 45 MET HGx A 45 MET HE% 1.0 0.0 5.59 1267 1163 A 46 THR HG2% A 47 GLU H 1.0 0.0 4.97 1268 1164 A 46 THR HG2% A 49 PHE H 1.0 0.0 5.45 1269 1165 A 46 THR H A 46 THR HG2% 1.0 0.0 4.82 1270 1166 A 46 THR HG2% A 96 PRO HDy 1.0 0.0 4.27 1271 1167 A 46 THR HG2% A 96 PRO HDx 1.0 0.0 4.40 1272 1168 A 46 THR HG2% A 48 GLU HBx 1.0 0.0 4.73 1273 1169 A 47 GLU H A 47 GLU HA 1.0 0.0 4.40 1274 1170 A 48 GLU H A 47 GLU HA 1.0 0.0 4.20 1275 1171 A 47 GLU HA A 51 LEU H 1.0 0.0 5.00 1276 1172 A 49 PHE H A 48 GLU HA 1.0 0.0 5.27 1277 1173 A 47 GLU HA A 47 GLU HGx 1.0 0.0 4.05 1278 1174 A 47 GLU HA A 47 GLU HB2 1.0 0.0 3.36 1279 1174 A 47 GLU HA A 47 GLU HB3 1.0 0.0 3.36 1280 1175 A 47 GLU HA A 51 LEU HG 1.0 0.0 4.44 1281 1176 A 47 GLU HA A 74 ALA HB% 1.0 0.0 4.67 1282 1177 A 47 GLU HA A 50 LEU HD2% 1.0 0.0 4.36 1283 1178 A 47 GLU H A 47 GLU HB2 1.0 0.0 3.96 1284 1178 A 47 GLU H A 47 GLU HB3 1.0 0.0 3.96 1285 1179 A 48 GLU H A 48 GLU HBx 1.0 0.0 4.32 1286 1180 A 54 ARG H A 54 ARG HBy 1.0 0.0 5.06 1287 1181 A 47 GLU HGx A 47 GLU HB2 1.0 0.0 3.41 1288 1181 A 47 GLU HB3 A 47 GLU HGx 1.0 0.0 3.41 1289 1182 A 74 ALA HB% A 47 GLU HB2 1.0 0.0 4.61 1290 1182 A 47 GLU HB3 A 74 ALA HB% 1.0 0.0 4.61 1291 1183 A 50 LEU HD2% A 47 GLU HGy 1.0 0.0 5.50 1292 1184 A 47 GLU HA A 47 GLU HGx 1.0 0.0 4.45 1293 1185 A 51 LEU HG A 47 GLU HGx 1.0 0.0 4.48 1294 1186 A 49 PHE H A 48 GLU HBx 1.0 0.0 5.15 1295 1187 A 48 GLU HGy A 48 GLU HBx 1.0 0.0 4.26 1296 1188 A 48 GLU H A 48 GLU HGy 1.0 0.0 4.86 1297 1189 A 49 PHE H A 48 GLU HGy 1.0 0.0 5.06 1298 1190 A 48 GLU HA A 48 GLU HGy 1.0 0.0 4.66 1299 1191 A 48 GLU HGy A 48 GLU HBx 1.0 0.0 3.69 1300 1192 A 46 THR HG2% A 48 GLU HGy 1.0 0.0 5.42 1301 1193 A 49 PHE H A 48 GLU HGx 1.0 0.0 5.38 1302 1194 A 59 ASP H A 59 ASP HBy 1.0 0.0 4.80 1303 1195 A 49 PHE HBx A 49 PHE HD% 1.0 0.0 5.26 1304 1196 A 46 THR H A 49 PHE HBx 1.0 0.0 5.54 1305 1197 A 49 PHE HBx A 49 PHE HA 1.0 0.0 5.28 1306 1198 A 49 PHE HBx A 49 PHE HBy 1.0 0.0 4.36 1307 1199 A 59 ASP HBx A 59 ASP HBy 1.0 0.0 4.02 1308 1200 A 49 PHE HA A 49 PHE HBy 1.0 0.0 5.17 1309 1201 A 50 LEU H A 50 LEU HA 1.0 0.0 4.98 1310 1202 A 90 GLU HA A 90 GLU HB2 1.0 0.0 4.04 1311 1202 A 90 GLU HB3 A 90 GLU HA 1.0 0.0 4.04 1312 1203 A 50 LEU HA A 50 LEU HG 1.0 0.0 4.85 1313 1204 A 50 LEU HA A 50 LEU HBx 1.0 0.0 4.91 1314 1205 A 50 LEU HD1% A 50 LEU HA 1.0 0.0 4.18 1315 1206 A 50 LEU HA A 50 LEU HD2% 1.0 0.0 5.00 1316 1207 A 50 LEU HD1% A 50 LEU H 1.0 0.0 4.66 1317 1208 A 50 LEU HD1% A 51 LEU H 1.0 0.0 5.63 1318 1209 A 45 MET HA A 50 LEU HD1% 1.0 0.0 4.97 1319 1210 A 50 LEU HD1% A 50 LEU HA 1.0 0.0 4.01 1320 1211 A 45 MET HGx A 50 LEU HD1% 1.0 0.0 4.83 1321 1212 A 45 MET HE% A 50 LEU HD1% 1.0 0.0 4.56 1322 1213 A 50 LEU HD1% A 50 LEU HG 1.0 0.0 4.20 1323 1214 A 50 LEU HD1% A 50 LEU HBx 1.0 0.0 3.85 1324 1215 A 50 LEU HD1% A 50 LEU HD2% 1.0 0.0 3.52 1325 1216 A 112 LEU H A 112 LEU HBx 1.0 0.0 4.74 1326 1217 A 50 LEU H A 50 LEU HBx 1.0 0.0 5.58 1327 1218 A 47 GLU HA A 50 LEU HBx 1.0 0.0 5.49 1328 1219 A 112 LEU HA A 112 LEU HBx 1.0 0.0 5.16 1329 1220 A 50 LEU HBy A 50 LEU HBx 1.0 0.0 4.27 1330 1221 A 51 LEU HG A 51 LEU HBx 1.0 0.0 3.53 1331 1222 A 50 LEU HD2% A 50 LEU HBx 1.0 0.0 4.79 1332 1223 A 50 LEU HD2% A 74 ALA H 1.0 0.0 4.38 1333 1224 A 50 LEU HD2% A 51 LEU H 1.0 0.0 5.52 1334 1225 A 50 LEU HD2% A 73 LYS HA 1.0 0.0 3.98 1335 1226 A 47 GLU HA A 50 LEU HD2% 1.0 0.0 4.34 1336 1227 A 50 LEU HD2% A 74 ALA HA 1.0 0.0 4.86 1337 1228 A 45 MET HBy A 50 LEU HD2% 1.0 0.0 4.92 1338 1229 A 50 LEU HBy A 50 LEU HD2% 1.0 0.0 4.01 1339 1230 A 50 LEU HG A 50 LEU HD2% 1.0 0.0 4.05 1340 1231 A 74 ALA HB% A 50 LEU HD2% 1.0 0.0 4.03 1341 1232 A 50 LEU H A 50 LEU HBy 1.0 0.0 5.15 1342 1233 A 50 LEU HBy A 50 LEU HBx 1.0 0.0 4.40 1343 1234 A 50 LEU HD1% A 50 LEU HBy 1.0 0.0 5.39 1344 1235 A 50 LEU HBy A 50 LEU HD2% 1.0 0.0 4.82 1345 1236 A 50 LEU HD1% A 50 LEU HG 1.0 0.0 4.63 1346 1237 A 51 LEU H A 51 LEU HA 1.0 0.0 4.68 1347 1238 A 52 PHE H A 51 LEU HA 1.0 0.0 4.87 1348 1239 A 108 ARG H A 108 ARG HA 1.0 0.0 4.44 1349 1240 A 51 LEU HA A 61 MET HE% 1.0 0.0 4.97 1350 1241 A 51 LEU HA A 51 LEU HBy 1.0 0.0 4.25 1351 1242 A 108 ARG HA A 108 ARG HBy 1.0 0.0 4.11 1352 1243 A 108 ARG HA A 108 ARG HBx 1.0 0.0 3.93 1353 1244 A 51 LEU HA A 51 LEU HD2% 1.0 0.0 3.90 1354 1245 A 51 LEU HD1% A 47 GLU HGx 1.0 0.0 4.20 1355 1246 A 51 LEU HG A 51 LEU HD1% 1.0 0.0 3.49 1356 1247 A 120 LEU HD2% A 120 LEU HBx 1.0 0.0 3.44 1357 1248 A 51 LEU H A 51 LEU HBx 1.0 0.0 4.99 1358 1249 A 52 PHE H A 51 LEU HBx 1.0 0.0 5.67 1359 1250 A 51 LEU HA A 51 LEU HBx 1.0 0.0 4.66 1360 1251 A 51 LEU HBx A 51 LEU HD2% 1.0 0.0 4.19 1361 1252 A 51 LEU H A 51 LEU HD2% 1.0 0.0 5.06 1362 1253 A 51 LEU HD2% A 54 ARG HDx 1.0 0.0 5.29 1363 1254 A 112 LEU HD2% A 116 GLN HGy 1.0 0.0 3.90 1364 1255 A 51 LEU HD2% A 61 MET HE% 1.0 0.0 3.96 1365 1256 A 51 LEU HG A 51 LEU HD2% 1.0 0.0 3.34 1366 1257 A 116 GLN H A 115 LEU HBy 1.0 0.0 5.08 1367 1258 A 51 LEU H A 51 LEU HBy 1.0 0.0 4.79 1368 1259 A 52 PHE H A 51 LEU HBy 1.0 0.0 5.51 1369 1260 A 51 LEU HA A 51 LEU HBy 1.0 0.0 4.86 1370 1261 A 112 LEU HA A 112 LEU HBy 1.0 0.0 5.00 1371 1262 A 51 LEU HBx A 51 LEU HBy 1.0 0.0 3.79 1372 1263 A 51 LEU HD2% A 51 LEU HBy 1.0 0.0 4.02 1373 1264 A 97 VAL HG1% A 115 LEU HBy 1.0 0.0 4.97 1374 1265 A 115 LEU HD2% A 115 LEU HBy 1.0 0.0 4.70 1375 1266 A 51 LEU H A 51 LEU HG 1.0 0.0 4.36 1376 1267 A 107 LEU H A 107 LEU HG 1.0 0.0 4.51 1377 1268 A 51 LEU HA A 51 LEU HG 1.0 0.0 4.94 1378 1269 A 51 LEU HG A 47 GLU HGy 1.0 0.0 5.23 1379 1270 A 51 LEU HG A 51 LEU HBx 1.0 0.0 4.06 1380 1271 A 107 LEU HD2% A 107 LEU HG 1.0 0.0 4.70 1381 1272 A 51 LEU HG A 51 LEU HD2% 1.0 0.0 3.70 1382 1273 A 52 PHE H A 52 PHE HA 1.0 0.0 4.62 1383 1274 A 52 PHE HA A 52 PHE HD% 1.0 0.0 4.79 1384 1275 A 62 THR HA A 63 PRO HDx 1.0 0.0 4.18 1385 1276 A 52 PHE HA A 52 PHE HBy 1.0 0.0 4.57 1386 1277 A 62 THR HA A 62 THR HG2% 1.0 0.0 4.21 1387 1278 A 49 PHE HA A 52 PHE HBx 1.0 0.0 5.61 1388 1279 A 52 PHE H A 52 PHE HBy 1.0 0.0 5.06 1389 1280 A 52 PHE HBy A 52 PHE HD% 1.0 0.0 4.92 1390 1281 A 52 PHE HA A 52 PHE HBy 1.0 0.0 5.08 1391 1282 A 52 PHE HBy A 52 PHE HBx 1.0 0.0 4.42 1392 1283 A 54 ARG HA A 59 ASP H 1.0 0.0 5.65 1393 1284 A 58 ASN H A 54 ARG HA 1.0 0.0 5.32 1394 1285 A 55 ASP H A 54 ARG HA 1.0 0.0 5.54 1395 1286 A 54 ARG H A 54 ARG HA 1.0 0.0 5.07 1396 1287 A 54 ARG HA A 54 ARG HBx 1.0 0.0 4.80 1397 1288 A 54 ARG HA A 54 ARG HGy 1.0 0.0 4.82 1398 1289 A 54 ARG HA A 54 ARG HGy 1.0 0.0 4.94 1399 1290 A 54 ARG HBy A 54 ARG HGy 1.0 0.0 5.30 1400 1291 A 54 ARG HBx A 54 ARG HGy 1.0 0.0 5.23 1401 1292 A 54 ARG HA A 54 ARG HGx 1.0 0.0 4.90 1402 1293 A 54 ARG HGx A 54 ARG HDx 1.0 0.0 4.69 1403 1294 A 54 ARG HBy A 54 ARG HGx 1.0 0.0 4.89 1404 1295 A 54 ARG HBx A 54 ARG HGx 1.0 0.0 5.04 1405 1296 A 112 LEU HG A 112 LEU HD1% 1.0 0.0 3.86 1406 1297 A 54 ARG H A 54 ARG HBx 1.0 0.0 5.11 1407 1298 A 54 ARG HA A 54 ARG HBx 1.0 0.0 5.22 1408 1299 A 54 ARG HDy A 61 MET HE% 1.0 0.0 4.85 1409 1300 A 51 LEU HD2% A 54 ARG HDy 1.0 0.0 5.52 1410 1301 A 55 ASP H A 54 ARG HBy 1.0 0.0 5.65 1411 1302 A 54 ARG HA A 54 ARG HBy 1.0 0.0 5.27 1412 1303 A 54 ARG HBy A 54 ARG HGx 1.0 0.0 5.10 1413 1304 A 54 ARG HBx A 54 ARG HDx 1.0 0.0 4.79 1414 1305 A 108 ARG HDy A 108 ARG HBx 1.0 0.0 4.37 1415 1306 A 51 LEU HD2% A 54 ARG HDx 1.0 0.0 5.49 1416 1307 A 55 ASP HA A 55 ASP HBx 1.0 0.0 4.35 1417 1308 A 55 ASP H A 55 ASP HBx 1.0 0.0 5.13 1418 1309 A 55 ASP HA A 55 ASP HBx 1.0 0.0 4.62 1419 1310 A 55 ASP HBy A 55 ASP HBx 1.0 0.0 3.62 1420 1311 A 55 ASP H A 55 ASP HBy 1.0 0.0 4.88 1421 1312 A 56 ARG H A 55 ASP HBy 1.0 0.0 5.10 1422 1313 A 55 ASP HA A 55 ASP HBy 1.0 0.0 4.86 1423 1314 A 55 ASP HBy A 55 ASP HBx 1.0 0.0 3.69 1424 1315 A 56 ARG H A 56 ARG HA 1.0 0.0 4.61 1425 1316 A 56 ARG H A 56 ARG HBx 1.0 0.0 5.46 1426 1317 A 56 ARG HBx A 56 ARG HBy 1.0 0.0 4.14 1427 1318 A 56 ARG HBx A 56 ARG HBy 1.0 0.0 4.12 1428 1319 A 57 GLY H A 57 GLY HAx 1.0 0.0 4.65 1429 1320 A 57 GLY HAy A 57 GLY HAx 1.0 0.0 3.82 1430 1321 A 58 ASN H A 57 GLY HAy 1.0 0.0 5.28 1431 1322 A 57 GLY H A 57 GLY HAy 1.0 0.0 4.97 1432 1323 A 58 ASN H A 58 ASN HBx 1.0 0.0 5.07 1433 1324 A 58 ASN HBx A 58 ASN HA 1.0 0.0 5.34 1434 1325 A 58 ASN HBy A 58 ASN HBx 1.0 0.0 4.48 1435 1326 A 58 ASN H A 58 ASN HBy 1.0 0.0 5.21 1436 1327 A 58 ASN HBy A 58 ASN HBx 1.0 0.0 4.57 1437 1328 A 59 ASP H A 59 ASP HA 1.0 0.0 4.32 1438 1329 A 117 ALA H A 117 ALA HA 1.0 0.0 4.16 1439 1330 A 117 ALA HB% A 117 ALA HA 1.0 0.0 3.31 1440 1331 A 113 ALA HA A 113 ALA HB% 1.0 0.0 3.55 1441 1332 A 59 ASP HA A 59 ASP HBy 1.0 0.0 5.43 1442 1333 A 123 LEU H A 123 LEU HBy 1.0 0.0 4.45 1443 1334 A 123 LEU HA A 123 LEU HBy 1.0 0.0 4.38 1444 1335 A 123 LEU HD2% A 123 LEU HBy 1.0 0.0 4.09 1445 1336 A 50 LEU H A 61 MET HE% 1.0 0.0 5.19 1446 1337 A 51 LEU H A 61 MET HE% 1.0 0.0 5.53 1447 1338 A 51 LEU HA A 61 MET HE% 1.0 0.0 4.78 1448 1339 A 54 ARG HDx A 61 MET HE% 1.0 0.0 4.74 1449 1340 A 51 LEU HG A 61 MET HE% 1.0 0.0 3.62 1450 1341 A 50 LEU HBx A 61 MET HE% 1.0 0.0 4.05 1451 1342 A 51 LEU HD2% A 61 MET HE% 1.0 0.0 3.43 1452 1343 A 50 LEU HD2% A 61 MET HE% 1.0 0.0 4.17 1453 1344 A 62 THR H A 62 THR HB 1.0 0.0 4.58 1454 1345 A 62 THR HB A 62 THR HA 1.0 0.0 5.02 1455 1346 A 62 THR HB A 62 THR HG2% 1.0 0.0 4.01 1456 1347 A 62 THR H A 62 THR HG2% 1.0 0.0 5.38 1457 1348 A 62 THR HG2% A 63 PRO HDy 1.0 0.0 3.95 1458 1349 A 62 THR HB A 62 THR HG2% 1.0 0.0 3.84 1459 1350 A 62 THR HG2% A 63 PRO HDx 1.0 0.0 4.41 1460 1351 A 62 THR HG2% A 64 ARG HD2 1.0 0.0 5.37 1461 1351 A 62 THR HG2% A 64 ARG HD3 1.0 0.0 5.37 1462 1352 A 120 LEU HA A 121 PRO HDx 1.0 0.0 4.05 1463 1353 A 63 PRO HDx A 63 PRO HDy 1.0 0.0 3.66 1464 1354 A 121 PRO HDy A 121 PRO HDx 1.0 0.0 3.37 1465 1355 A 121 PRO HDx A 121 PRO HG2 1.0 0.0 3.89 1466 1355 A 121 PRO HDx A 121 PRO HG3 1.0 0.0 3.89 1467 1356 A 120 LEU HBy A 121 PRO HDx 1.0 0.0 4.46 1468 1357 A 62 THR HG2% A 63 PRO HDx 1.0 0.0 4.53 1469 1358 A 64 ARG HA A 64 ARG HGx 1.0 0.0 5.65 1470 1359 A 64 ARG HGx A 64 ARG HD2 1.0 0.0 4.81 1471 1359 A 64 ARG HD3 A 64 ARG HGx 1.0 0.0 4.81 1472 1360 A 64 ARG HGx A 64 ARG HBy 1.0 0.0 4.96 1473 1361 A 64 ARG HA A 64 ARG HD2 1.0 0.0 5.10 1474 1361 A 64 ARG HA A 64 ARG HD3 1.0 0.0 5.10 1475 1362 A 65 PRO HA A 65 PRO HBy 1.0 0.0 4.02 1476 1363 A 65 PRO HA A 65 PRO HBx 1.0 0.0 4.20 1477 1364 A 65 PRO HA A 65 PRO HBx 1.0 0.0 4.42 1478 1365 A 65 PRO HBx A 65 PRO HDy 1.0 0.0 5.62 1479 1366 A 65 PRO HDx A 65 PRO HBx 1.0 0.0 5.34 1480 1367 A 65 PRO HBy A 65 PRO HBx 1.0 0.0 3.50 1481 1368 A 86 GLN H A 86 GLN HBx 1.0 0.0 5.35 1482 1369 A 64 ARG HA A 65 PRO HGy 1.0 0.0 4.86 1483 1370 A 96 PRO HDy A 96 PRO HGx 1.0 0.0 4.38 1484 1371 A 65 PRO HDx A 65 PRO HGy 1.0 0.0 4.58 1485 1372 A 65 PRO HBy A 65 PRO HGy 1.0 0.0 4.63 1486 1373 A 46 THR HG2% A 96 PRO HGx 1.0 0.0 4.67 1487 1374 A 121 PRO HBy A 121 PRO HDy 1.0 0.0 5.35 1488 1375 A 66 GLU HBy A 65 PRO HDy 1.0 0.0 4.85 1489 1376 A 120 LEU HBy A 121 PRO HDy 1.0 0.0 4.63 1490 1377 A 121 PRO HDy A 120 LEU HBx 1.0 0.0 5.24 1491 1378 A 120 LEU HD2% A 121 PRO HDy 1.0 0.0 4.83 1492 1379 A 94 ALA H A 94 ALA HA 1.0 0.0 5.61 1493 1380 A 65 PRO HDx A 64 ARG HA 1.0 0.0 4.33 1494 1381 A 65 PRO HDx A 65 PRO HDy 1.0 0.0 3.54 1495 1382 A 65 PRO HDx A 65 PRO HBx 1.0 0.0 4.27 1496 1383 A 64 ARG HBx A 65 PRO HDx 1.0 0.0 4.95 1497 1384 A 88 ALA HB% A 94 ALA HA 1.0 0.0 4.61 1498 1385 A 66 GLU HA A 66 GLU HGy 1.0 0.0 5.66 1499 1386 A 66 GLU HGy A 66 GLU HBx 1.0 0.0 4.34 1500 1387 A 66 GLU HGy A 66 GLU HGx 1.0 0.0 3.75 1501 1388 A 66 GLU HGy A 66 GLU HGx 1.0 0.0 3.89 1502 1389 A 66 GLU HBy A 66 GLU HGx 1.0 0.0 4.62 1503 1390 A 97 VAL HB A 97 VAL HG2% 1.0 0.0 4.08 1504 1391 A 123 LEU HA A 124 GLU H 1.0 0.0 3.68 1505 1392 A 68 ASN HA A 69 PHE H 1.0 0.0 4.55 1506 1393 A 68 ASN HA A 68 ASN HBy 1.0 0.0 4.54 1507 1394 A 123 LEU HA A 123 LEU HBx 1.0 0.0 3.75 1508 1395 A 123 LEU HA A 123 LEU HD2% 1.0 0.0 3.80 1509 1396 A 90 GLU H A 90 GLU HGy 1.0 0.0 4.56 1510 1397 A 68 ASN HD2y A 68 ASN HBx 1.0 0.0 5.51 1511 1398 A 68 ASN HA A 68 ASN HBx 1.0 0.0 4.78 1512 1399 A 68 ASN HBy A 68 ASN HBx 1.0 0.0 3.46 1513 1400 A 90 GLU HGy A 90 GLU HGx 1.0 0.0 3.38 1514 1401 A 90 GLU HGy A 90 GLU HB2 1.0 0.0 4.19 1515 1401 A 90 GLU HGy A 90 GLU HB3 1.0 0.0 4.19 1516 1402 A 68 ASN H A 68 ASN HBy 1.0 0.0 5.62 1517 1403 A 68 ASN HD2y A 68 ASN HBy 1.0 0.0 5.28 1518 1404 A 68 ASN HA A 68 ASN HBy 1.0 0.0 4.47 1519 1405 A 68 ASN HBy A 68 ASN HBx 1.0 0.0 3.35 1520 1406 A 69 PHE HA A 70 PRO HDy 1.0 0.0 4.70 1521 1407 A 69 PHE HA A 69 PHE HBy 1.0 0.0 4.30 1522 1408 A 69 PHE HBy A 69 PHE HBx 1.0 0.0 4.78 1523 1409 A 70 PRO HA A 70 PRO HBy 1.0 0.0 4.04 1524 1410 A 70 PRO HA A 70 PRO HBx 1.0 0.0 4.13 1525 1411 A 70 PRO HBx A 70 PRO HGx 1.0 0.0 4.80 1526 1412 A 70 PRO HDy A 70 PRO HGx 1.0 0.0 5.11 1527 1413 A 70 PRO HGx A 70 PRO HDx 1.0 0.0 5.39 1528 1414 A 70 PRO HBx A 70 PRO HGx 1.0 0.0 4.08 1529 1415 A 112 LEU HG A 99 LEU HD1% 1.0 0.0 4.62 1530 1415 A 99 LEU HD2% A 112 LEU HG 1.0 0.0 4.62 1531 1416 A 69 PHE HA A 70 PRO HDx 1.0 0.0 4.84 1532 1417 A 70 PRO HDy A 70 PRO HDx 1.0 0.0 4.17 1533 1418 A 70 PRO HBx A 70 PRO HDx 1.0 0.0 4.49 1534 1419 A 70 PRO HGx A 70 PRO HDx 1.0 0.0 5.25 1535 1420 A 98 VAL H A 97 VAL HG2% 1.0 0.0 4.37 1536 1421 A 72 LEU HA A 72 LEU HD1% 1.0 0.0 4.36 1537 1421 A 72 LEU HA A 72 LEU HD2% 1.0 0.0 4.36 1538 1422 A 78 TRP HBx A 72 LEU HD1% 1.0 0.0 5.13 1539 1422 A 72 LEU HD2% A 78 TRP HBx 1.0 0.0 5.13 1540 1423 A 76 ASP HBx A 72 LEU HD1% 1.0 0.0 5.19 1541 1423 A 76 ASP HBx A 72 LEU HD2% 1.0 0.0 5.19 1542 1424 A 97 VAL HB A 97 VAL HG2% 1.0 0.0 3.79 1543 1425 A 80 LEU HDy% A 72 LEU HD1% 1.0 0.0 4.53 1544 1425 A 72 LEU HD2% A 80 LEU HDy% 1.0 0.0 4.53 1545 1426 A 72 LEU HBy A 72 LEU HBx 1.0 0.0 4.64 1546 1427 A 72 LEU HBx A 72 LEU HD1% 1.0 0.0 5.11 1547 1427 A 72 LEU HD2% A 72 LEU HBx 1.0 0.0 5.11 1548 1428 A 73 LYS H A 72 LEU HBy 1.0 0.0 5.64 1549 1429 A 72 LEU HBy A 72 LEU HBx 1.0 0.0 4.50 1550 1430 A 72 LEU HBy A 72 LEU HG 1.0 0.0 5.04 1551 1431 A 72 LEU HA A 72 LEU HG 1.0 0.0 5.64 1552 1432 A 72 LEU HG A 80 LEU HDy% 1.0 0.0 4.13 1553 1433 A 73 LYS H A 73 LYS HGy 1.0 0.0 4.86 1554 1434 A 73 LYS HA A 73 LYS HGy 1.0 0.0 4.89 1555 1435 A 73 LYS HGy A 73 LYS HE2 1.0 0.0 4.94 1556 1435 A 73 LYS HGy A 73 LYS HE3 1.0 0.0 4.94 1557 1436 A 73 LYS HGy A 73 LYS HD2 1.0 0.0 3.57 1558 1436 A 73 LYS HD3 A 73 LYS HGy 1.0 0.0 3.57 1559 1437 A 73 LYS HGy A 73 LYS HGx 1.0 0.0 3.14 1560 1438 A 73 LYS HD2 A 73 LYS HE2 1.0 0.0 3.24 1561 1438 A 73 LYS HD3 A 73 LYS HE2 1.0 0.0 3.24 1562 1438 A 73 LYS HE3 A 73 LYS HD2 1.0 0.0 3.24 1563 1438 A 73 LYS HD3 A 73 LYS HE3 1.0 0.0 3.24 1564 1439 A 104 LYS HGx A 104 LYS HE2 1.0 0.0 3.89 1565 1439 A 104 LYS HGx A 104 LYS HE3 1.0 0.0 3.89 1566 1440 A 73 LYS H A 73 LYS HGx 1.0 0.0 4.96 1567 1441 A 73 LYS HA A 73 LYS HGx 1.0 0.0 5.34 1568 1442 A 73 LYS HGx A 73 LYS HE2 1.0 0.0 4.80 1569 1442 A 73 LYS HE3 A 73 LYS HGx 1.0 0.0 4.80 1570 1443 A 73 LYS HGx A 73 LYS HD2 1.0 0.0 3.62 1571 1443 A 73 LYS HD3 A 73 LYS HGx 1.0 0.0 3.62 1572 1444 A 73 LYS HGy A 73 LYS HGx 1.0 0.0 3.15 1573 1445 A 74 ALA H A 73 LYS HB2 1.0 0.0 4.25 1574 1445 A 74 ALA H A 73 LYS HB3 1.0 0.0 4.25 1575 1446 A 73 LYS HA A 73 LYS HB2 1.0 0.0 4.20 1576 1446 A 73 LYS HA A 73 LYS HB3 1.0 0.0 4.20 1577 1447 A 73 LYS HGy A 73 LYS HB2 1.0 0.0 4.12 1578 1447 A 73 LYS HGy A 73 LYS HB3 1.0 0.0 4.12 1579 1448 A 73 LYS HGx A 73 LYS HB2 1.0 0.0 4.32 1580 1448 A 73 LYS HB3 A 73 LYS HGx 1.0 0.0 4.32 1581 1449 A 74 ALA H A 73 LYS HD2 1.0 0.0 5.32 1582 1449 A 73 LYS HD3 A 74 ALA H 1.0 0.0 5.32 1583 1450 A 73 LYS HA A 73 LYS HD2 1.0 0.0 4.94 1584 1450 A 73 LYS HA A 73 LYS HD3 1.0 0.0 4.94 1585 1451 A 47 GLU H A 74 ALA HB% 1.0 0.0 4.20 1586 1452 A 74 ALA HB% A 74 ALA H 1.0 0.0 3.44 1587 1453 A 113 ALA H A 113 ALA HB% 1.0 0.0 3.36 1588 1454 A 114 ASP H A 113 ALA HB% 1.0 0.0 4.16 1589 1455 A 74 ALA HB% A 46 THR HA 1.0 0.0 4.15 1590 1456 A 113 ALA HB% A 114 ASP HA 1.0 0.0 4.89 1591 1457 A 74 ALA HB% A 73 LYS HA 1.0 0.0 4.56 1592 1458 A 113 ALA HA A 113 ALA HB% 1.0 0.0 3.27 1593 1459 A 74 ALA HB% A 74 ALA HA 1.0 0.0 3.56 1594 1460 A 74 ALA HB% A 47 GLU HGy 1.0 0.0 4.82 1595 1461 A 74 ALA HB% A 47 GLU HB2 1.0 0.0 4.68 1596 1461 A 47 GLU HB3 A 74 ALA HB% 1.0 0.0 4.68 1597 1462 A 74 ALA HB% A 50 LEU HD2% 1.0 0.0 4.17 1598 1463 A 74 ALA HA A 75 GLY H 1.0 0.0 3.92 1599 1464 A 76 ASP H A 74 ALA HA 1.0 0.0 5.28 1600 1465 A 74 ALA HA A 46 THR HA 1.0 0.0 5.49 1601 1466 A 73 LYS HA A 74 ALA HA 1.0 0.0 5.58 1602 1467 A 45 MET HBy A 74 ALA HA 1.0 0.0 5.07 1603 1468 A 74 ALA HB% A 74 ALA HA 1.0 0.0 3.90 1604 1469 A 50 LEU HD2% A 74 ALA HA 1.0 0.0 4.98 1605 1470 A 75 GLY H A 75 GLY HAx 1.0 0.0 4.70 1606 1471 A 76 ASP H A 75 GLY HAx 1.0 0.0 5.53 1607 1472 A 75 GLY HAy A 75 GLY HAx 1.0 0.0 3.66 1608 1473 A 75 GLY HAx A 44 GLU HB2 1.0 0.0 5.63 1609 1473 A 44 GLU HB3 A 75 GLY HAx 1.0 0.0 5.63 1610 1474 A 75 GLY HAy A 75 GLY HAx 1.0 0.0 3.80 1611 1475 A 109 TYR H A 109 TYR HBx 1.0 0.0 4.94 1612 1476 A 109 TYR HD% A 109 TYR HBx 1.0 0.0 4.83 1613 1477 A 76 ASP HBx A 76 ASP HA 1.0 0.0 5.55 1614 1478 A 109 TYR HBy A 109 TYR HBx 1.0 0.0 4.01 1615 1479 A 76 ASP HBy A 76 ASP HBx 1.0 0.0 4.06 1616 1480 A 82 ALA HB% A 109 TYR HBx 1.0 0.0 4.88 1617 1481 A 76 ASP H A 76 ASP HBy 1.0 0.0 5.05 1618 1482 A 78 TRP H A 77 ARG HA 1.0 0.0 4.44 1619 1483 A 77 ARG HA A 44 GLU HA 1.0 0.0 5.39 1620 1484 A 96 PRO HDy A 96 PRO HGy 1.0 0.0 4.67 1621 1485 A 96 PRO HDx A 96 PRO HGy 1.0 0.0 4.75 1622 1486 A 86 GLN HBy A 86 GLN HBx 1.0 0.0 4.55 1623 1487 A 96 PRO HBy A 96 PRO HGy 1.0 0.0 4.91 1624 1488 A 77 ARG HB2 A 77 ARG HG2 1.0 0.0 4.98 1625 1488 A 77 ARG HB3 A 77 ARG HG2 1.0 0.0 4.98 1626 1488 A 77 ARG HG3 A 77 ARG HB2 1.0 0.0 4.98 1627 1488 A 77 ARG HB3 A 77 ARG HG3 1.0 0.0 4.98 1628 1489 A 46 THR HG2% A 96 PRO HGy 1.0 0.0 5.34 1629 1490 A 78 TRP HBy A 78 TRP HBx 1.0 0.0 4.15 1630 1491 A 78 TRP H A 78 TRP HBy 1.0 0.0 5.64 1631 1492 A 78 TRP HBy A 78 TRP HBx 1.0 0.0 4.06 1632 1493 A 84 ARG H A 80 LEU HDx% 1.0 0.0 4.88 1633 1494 A 85 TRP HD1 A 80 LEU HDx% 1.0 0.0 4.76 1634 1495 A 45 MET HGx A 80 LEU HDx% 1.0 0.0 4.89 1635 1496 A 80 LEU HG A 80 LEU HDx% 1.0 0.0 4.54 1636 1497 A 80 LEU HDx% A 80 LEU HDy% 1.0 0.0 4.20 1637 1498 A 43 ALA HB% A 80 LEU HDx% 1.0 0.0 4.39 1638 1499 A 80 LEU HBx A 44 GLU HG2 1.0 0.0 5.68 1639 1499 A 44 GLU HG3 A 80 LEU HBx 1.0 0.0 5.68 1640 1500 A 45 MET HGy A 80 LEU HDy% 1.0 0.0 5.32 1641 1501 A 80 LEU HG A 80 LEU HDy% 1.0 0.0 4.11 1642 1502 A 104 LYS HGx A 104 LYS HGy 1.0 0.0 3.41 1643 1503 A 80 LEU HDx% A 80 LEU HDy% 1.0 0.0 3.72 1644 1504 A 80 LEU HDy% A 72 LEU HD1% 1.0 0.0 5.25 1645 1504 A 72 LEU HD2% A 80 LEU HDy% 1.0 0.0 5.25 1646 1505 A 80 LEU HBx A 80 LEU HBy 1.0 0.0 4.51 1647 1506 A 83 SER H A 82 ALA HB% 1.0 0.0 4.76 1648 1507 A 82 ALA H A 82 ALA HB% 1.0 0.0 4.21 1649 1508 A 82 ALA HB% A 85 TRP H 1.0 0.0 5.31 1650 1509 A 109 TYR HD% A 82 ALA HB% 1.0 0.0 4.56 1651 1510 A 82 ALA HB% A 109 TYR HA 1.0 0.0 5.31 1652 1511 A 82 ALA HA A 82 ALA HB% 1.0 0.0 3.81 1653 1512 A 82 ALA HB% A 109 TYR HBy 1.0 0.0 4.86 1654 1513 A 82 ALA HB% A 109 TYR HBx 1.0 0.0 4.59 1655 1514 A 82 ALA HB% A 110 VAL HG2% 1.0 0.0 4.08 1656 1515 A 41 VAL HG1% A 82 ALA HB% 1.0 0.0 3.91 1657 1516 A 41 VAL HG2% A 82 ALA HB% 1.0 0.0 5.68 1658 1517 A 82 ALA H A 82 ALA HA 1.0 0.0 5.06 1659 1518 A 83 SER H A 83 SER HBx 1.0 0.0 5.11 1660 1519 A 83 SER H A 83 SER HBy 1.0 0.0 5.25 1661 1520 A 83 SER HBx A 83 SER HBy 1.0 0.0 3.69 1662 1521 A 85 TRP H A 85 TRP HA 1.0 0.0 4.96 1663 1522 A 85 TRP HA A 88 ALA H 1.0 0.0 5.07 1664 1523 A 85 TRP HD1 A 85 TRP HA 1.0 0.0 5.39 1665 1524 A 85 TRP HA A 85 TRP HB2 1.0 0.0 4.40 1666 1524 A 85 TRP HA A 85 TRP HB3 1.0 0.0 4.40 1667 1525 A 45 MET HGx A 85 TRP HA 1.0 0.0 4.51 1668 1526 A 85 TRP HA A 88 ALA HB% 1.0 0.0 5.07 1669 1527 A 86 GLN H A 85 TRP HB2 1.0 0.0 5.49 1670 1527 A 86 GLN H A 85 TRP HB3 1.0 0.0 5.49 1671 1528 A 85 TRP H A 85 TRP HB2 1.0 0.0 5.04 1672 1528 A 85 TRP H A 85 TRP HB3 1.0 0.0 5.04 1673 1529 A 84 ARG H A 85 TRP HB2 1.0 0.0 5.49 1674 1529 A 84 ARG H A 85 TRP HB3 1.0 0.0 5.49 1675 1530 A 85 TRP HA A 85 TRP HB2 1.0 0.0 4.73 1676 1530 A 85 TRP HA A 85 TRP HB3 1.0 0.0 4.73 1677 1531 A 45 MET HGx A 85 TRP HB2 1.0 0.0 4.30 1678 1531 A 45 MET HGx A 85 TRP HB3 1.0 0.0 4.30 1679 1532 A 86 GLN HA A 89 PHE HB2 1.0 0.0 4.80 1680 1532 A 86 GLN HA A 89 PHE HB3 1.0 0.0 4.80 1681 1533 A 86 GLN HE2y A 86 GLN HBx 1.0 0.0 5.65 1682 1534 A 66 GLU HA A 65 PRO HGy 1.0 0.0 5.17 1683 1535 A 86 GLN HE2y A 86 GLN HGy 1.0 0.0 4.90 1684 1536 A 86 GLN HE2x A 86 GLN HGy 1.0 0.0 5.59 1685 1537 A 86 GLN HGy A 86 GLN HA 1.0 0.0 5.65 1686 1538 A 86 GLN H A 86 GLN HBy 1.0 0.0 5.33 1687 1539 A 86 GLN HBy A 86 GLN HA 1.0 0.0 5.40 1688 1540 A 86 GLN HBy A 86 GLN HBx 1.0 0.0 4.61 1689 1541 A 86 GLN HBy A 110 VAL HG2% 1.0 0.0 5.40 1690 1542 A 86 GLN HE2y A 86 GLN HGx 1.0 0.0 5.01 1691 1543 A 86 GLN HE2x A 86 GLN HGx 1.0 0.0 5.50 1692 1544 A 86 GLN HGx A 86 GLN HA 1.0 0.0 5.68 1693 1545 A 86 GLN HE2y A 87 GLU HA 1.0 0.0 4.59 1694 1546 A 87 GLU HA A 88 ALA HB% 1.0 0.0 5.31 1695 1547 A 30 GLN HA A 30 GLN HB2 1.0 0.0 5.46 1696 1547 A 30 GLN HA A 30 GLN HB3 1.0 0.0 5.46 1697 1548 A 13 GLU HA A 13 GLU HGy 1.0 0.0 5.63 1698 1549 A 88 ALA HB% A 87 GLU HG2 1.0 0.0 5.59 1699 1549 A 88 ALA HB% A 87 GLU HG3 1.0 0.0 5.59 1700 1550 A 89 PHE H A 88 ALA HB% 1.0 0.0 4.89 1701 1551 A 94 ALA H A 88 ALA HB% 1.0 0.0 5.63 1702 1552 A 88 ALA H A 88 ALA HB% 1.0 0.0 3.76 1703 1553 A 85 TRP HA A 88 ALA HB% 1.0 0.0 5.21 1704 1554 A 88 ALA HA A 88 ALA HB% 1.0 0.0 3.82 1705 1555 A 41 VAL HG1% A 106 ALA HB% 1.0 0.0 3.61 1706 1556 A 94 ALA HB% A 88 ALA HB% 1.0 0.0 5.01 1707 1557 A 88 ALA H A 88 ALA HA 1.0 0.0 5.19 1708 1558 A 88 ALA HA A 88 ALA HB% 1.0 0.0 4.01 1709 1559 A 88 ALA HA A 93 MET HBx 1.0 0.0 5.66 1710 1560 A 89 PHE H A 89 PHE HA 1.0 0.0 4.75 1711 1561 A 94 ALA H A 89 PHE HA 1.0 0.0 4.82 1712 1562 A 89 PHE HD% A 89 PHE HA 1.0 0.0 4.96 1713 1563 A 89 PHE HA A 89 PHE HB2 1.0 0.0 5.28 1714 1563 A 89 PHE HA A 89 PHE HB3 1.0 0.0 5.28 1715 1564 A 88 ALA HB% A 89 PHE HA 1.0 0.0 5.47 1716 1565 A 94 ALA HB% A 89 PHE HA 1.0 0.0 4.24 1717 1566 A 89 PHE H A 89 PHE HB2 1.0 0.0 4.91 1718 1566 A 89 PHE H A 89 PHE HB3 1.0 0.0 4.91 1719 1567 A 89 PHE HD% A 89 PHE HB2 1.0 0.0 5.28 1720 1567 A 89 PHE HD% A 89 PHE HB3 1.0 0.0 5.28 1721 1568 A 86 GLN HA A 89 PHE HB2 1.0 0.0 5.55 1722 1568 A 86 GLN HA A 89 PHE HB3 1.0 0.0 5.55 1723 1569 A 89 PHE HA A 89 PHE HB2 1.0 0.0 5.59 1724 1569 A 89 PHE HA A 89 PHE HB3 1.0 0.0 5.59 1725 1570 A 94 ALA HB% A 89 PHE HB2 1.0 0.0 5.66 1726 1570 A 94 ALA HB% A 89 PHE HB3 1.0 0.0 5.66 1727 1571 A 90 GLU H A 90 GLU HA 1.0 0.0 4.97 1728 1572 A 91 ALA H A 90 GLU HA 1.0 0.0 5.30 1729 1573 A 90 GLU HGy A 90 GLU HA 1.0 0.0 4.83 1730 1574 A 90 GLU HGx A 90 GLU HA 1.0 0.0 4.30 1731 1575 A 87 GLU HA A 90 GLU HB2 1.0 0.0 5.27 1732 1575 A 90 GLU HB3 A 87 GLU HA 1.0 0.0 5.27 1733 1576 A 90 GLU HA A 90 GLU HB2 1.0 0.0 4.96 1734 1576 A 90 GLU HB3 A 90 GLU HA 1.0 0.0 4.96 1735 1577 A 90 GLU HGy A 90 GLU HB2 1.0 0.0 4.99 1736 1577 A 90 GLU HGy A 90 GLU HB3 1.0 0.0 4.99 1737 1578 A 116 GLN HGy A 116 GLN HBx 1.0 0.0 4.67 1738 1579 A 90 GLU HGy A 86 GLN HE2y 1.0 0.0 5.28 1739 1580 A 90 GLU HGy A 89 PHE HD% 1.0 0.0 5.09 1740 1581 A 90 GLU HGy A 86 GLN HE2x 1.0 0.0 5.22 1741 1582 A 90 GLU HGy A 90 GLU HA 1.0 0.0 4.81 1742 1583 A 90 GLU HGx A 89 PHE HD% 1.0 0.0 5.66 1743 1584 A 93 MET H A 91 ALA HB% 1.0 0.0 5.31 1744 1585 A 91 ALA H A 91 ALA HB% 1.0 0.0 4.17 1745 1586 A 91 ALA HA A 91 ALA HB% 1.0 0.0 4.02 1746 1587 A 102 THR HG2% A 102 THR HB 1.0 0.0 3.40 1747 1588 A 91 ALA HB% A 92 GLY HAx 1.0 0.0 5.33 1748 1589 A 88 ALA HA A 91 ALA HB% 1.0 0.0 4.92 1749 1590 A 91 ALA HB% A 93 MET HGy 1.0 0.0 5.31 1750 1591 A 91 ALA HB% A 93 MET HGx 1.0 0.0 5.10 1751 1592 A 102 THR HG2% A 41 VAL HG1% 1.0 0.0 3.62 1752 1593 A 115 LEU HD2% A 102 THR HG2% 1.0 0.0 4.66 1753 1594 A 91 ALA H A 91 ALA HA 1.0 0.0 4.47 1754 1595 A 91 ALA HA A 91 ALA HB% 1.0 0.0 3.80 1755 1596 A 92 GLY H A 92 GLY HAx 1.0 0.0 4.67 1756 1597 A 93 MET H A 92 GLY HAy 1.0 0.0 5.29 1757 1598 A 92 GLY H A 92 GLY HAy 1.0 0.0 4.78 1758 1599 A 93 MET H A 93 MET HBx 1.0 0.0 5.13 1759 1600 A 93 MET HA A 93 MET HBx 1.0 0.0 5.23 1760 1601 A 93 MET HGy A 93 MET HBx 1.0 0.0 5.50 1761 1602 A 93 MET HBx A 93 MET HBy 1.0 0.0 3.92 1762 1603 A 88 ALA HB% A 93 MET HBx 1.0 0.0 5.38 1763 1604 A 52 PHE HD% A 93 MET HE% 1.0 0.0 4.53 1764 1605 A 93 MET HA A 93 MET HE% 1.0 0.0 4.96 1765 1606 A 49 PHE HA A 93 MET HE% 1.0 0.0 5.33 1766 1607 A 93 MET HBy A 93 MET HE% 1.0 0.0 4.00 1767 1608 A 93 MET HBx A 93 MET HE% 1.0 0.0 4.73 1768 1609 A 93 MET H A 93 MET HBy 1.0 0.0 5.59 1769 1610 A 93 MET H A 93 MET HGx 1.0 0.0 5.19 1770 1611 A 93 MET HA A 93 MET HGx 1.0 0.0 4.83 1771 1612 A 93 MET HGy A 93 MET HGx 1.0 0.0 3.54 1772 1613 A 91 ALA HB% A 93 MET HGx 1.0 0.0 4.94 1773 1614 A 93 MET HGx A 93 MET HBx 1.0 0.0 4.60 1774 1615 A 94 ALA HB% A 89 PHE H 1.0 0.0 4.76 1775 1616 A 94 ALA H A 94 ALA HB% 1.0 0.0 3.93 1776 1617 A 94 ALA HB% A 88 ALA H 1.0 0.0 5.43 1777 1618 A 94 ALA HB% A 89 PHE HD% 1.0 0.0 4.26 1778 1619 A 94 ALA HB% A 85 TRP HH2 1.0 0.0 5.11 1779 1620 A 94 ALA HB% A 89 PHE HA 1.0 0.0 3.98 1780 1621 A 94 ALA HB% A 94 ALA HA 1.0 0.0 4.12 1781 1622 A 94 ALA HB% A 118 HIS HBx 1.0 0.0 4.88 1782 1623 A 94 ALA HB% A 89 PHE HB2 1.0 0.0 4.41 1783 1623 A 94 ALA HB% A 89 PHE HB3 1.0 0.0 4.41 1784 1624 A 94 ALA HB% A 88 ALA HB% 1.0 0.0 4.67 1785 1625 A 97 VAL H A 96 PRO HA 1.0 0.0 4.03 1786 1626 A 96 PRO HDy A 96 PRO HDx 1.0 0.0 4.06 1787 1627 A 96 PRO HDy A 96 PRO HGx 1.0 0.0 4.83 1788 1628 A 46 THR HG2% A 96 PRO HDy 1.0 0.0 5.06 1789 1629 A 97 VAL H A 96 PRO HBy 1.0 0.0 5.21 1790 1630 A 96 PRO HA A 96 PRO HBy 1.0 0.0 4.39 1791 1631 A 96 PRO HBy A 96 PRO HBx 1.0 0.0 3.71 1792 1632 A 96 PRO HDy A 96 PRO HDx 1.0 0.0 4.08 1793 1633 A 96 PRO HDx A 96 PRO HGx 1.0 0.0 4.85 1794 1634 A 46 THR HG2% A 96 PRO HDx 1.0 0.0 4.80 1795 1635 A 85 TRP HE1 A 97 VAL HG2% 1.0 0.0 5.06 1796 1636 A 97 VAL H A 97 VAL HG2% 1.0 0.0 5.39 1797 1637 A 97 VAL HG2% A 99 LEU HA 1.0 0.0 4.46 1798 1638 A 98 VAL HB A 97 VAL HG2% 1.0 0.0 5.19 1799 1639 A 115 LEU HD1% A 97 VAL HG2% 1.0 0.0 3.95 1800 1640 A 85 TRP HE1 A 97 VAL HG1% 1.0 0.0 5.04 1801 1641 A 97 VAL HG1% A 97 VAL H 1.0 0.0 5.11 1802 1642 A 85 TRP HZ2 A 97 VAL HG1% 1.0 0.0 5.51 1803 1643 A 97 VAL HG1% A 85 TRP HH2 1.0 0.0 5.03 1804 1644 A 97 VAL HG1% A 97 VAL HB 1.0 0.0 4.71 1805 1645 A 97 VAL HG1% A 97 VAL HG2% 1.0 0.0 3.90 1806 1646 A 115 LEU HD1% A 97 VAL HG1% 1.0 0.0 4.50 1807 1647 A 98 VAL H A 97 VAL HB 1.0 0.0 4.83 1808 1648 A 97 VAL H A 97 VAL HB 1.0 0.0 4.40 1809 1649 A 99 LEU H A 98 VAL HA 1.0 0.0 4.00 1810 1650 A 98 VAL HA A 98 VAL HG2% 1.0 0.0 4.23 1811 1651 A 98 VAL HG1% A 98 VAL HA 1.0 0.0 4.47 1812 1652 A 98 VAL H A 98 VAL HG1% 1.0 0.0 4.14 1813 1653 A 98 VAL HB A 98 VAL HG1% 1.0 0.0 4.05 1814 1654 A 98 VAL HG1% A 97 VAL HG2% 1.0 0.0 4.67 1815 1655 A 100 GLN H A 98 VAL HG2% 1.0 0.0 4.68 1816 1656 A 99 LEU H A 98 VAL HG2% 1.0 0.0 5.03 1817 1657 A 100 GLN HE2y A 98 VAL HG2% 1.0 0.0 5.49 1818 1658 A 101 SER H A 98 VAL HG2% 1.0 0.0 4.20 1819 1659 A 98 VAL HA A 98 VAL HG2% 1.0 0.0 4.27 1820 1660 A 101 SER HBy A 98 VAL HG2% 1.0 0.0 4.97 1821 1661 A 101 SER HBx A 98 VAL HG2% 1.0 0.0 4.84 1822 1662 A 98 VAL HB A 98 VAL HG2% 1.0 0.0 4.14 1823 1663 A 98 VAL H A 98 VAL HB 1.0 0.0 5.07 1824 1664 A 98 VAL HB A 98 VAL HG2% 1.0 0.0 4.84 1825 1665 A 98 VAL HB A 98 VAL HG1% 1.0 0.0 4.98 1826 1666 A 99 LEU H A 99 LEU HD1% 1.0 0.0 5.12 1827 1666 A 99 LEU H A 99 LEU HD2% 1.0 0.0 5.12 1828 1667 A 116 GLN H A 99 LEU HD1% 1.0 0.0 5.26 1829 1667 A 116 GLN H A 99 LEU HD2% 1.0 0.0 5.26 1830 1668 A 116 GLN HA A 99 LEU HD1% 1.0 0.0 4.24 1831 1668 A 99 LEU HD2% A 116 GLN HA 1.0 0.0 4.24 1832 1669 A 99 LEU HA A 99 LEU HD1% 1.0 0.0 3.94 1833 1669 A 99 LEU HA A 99 LEU HD2% 1.0 0.0 3.94 1834 1670 A 116 GLN HBy A 99 LEU HD1% 1.0 0.0 4.66 1835 1670 A 99 LEU HD2% A 116 GLN HBy 1.0 0.0 4.66 1836 1671 A 115 LEU HBy A 99 LEU HD1% 1.0 0.0 4.67 1837 1671 A 99 LEU HD2% A 115 LEU HBy 1.0 0.0 4.67 1838 1672 A 112 LEU HG A 99 LEU HD1% 1.0 0.0 4.41 1839 1672 A 99 LEU HD2% A 112 LEU HG 1.0 0.0 4.41 1840 1673 A 99 LEU HBx A 99 LEU HD1% 1.0 0.0 4.05 1841 1673 A 99 LEU HBx A 99 LEU HD2% 1.0 0.0 4.05 1842 1674 A 115 LEU HD1% A 99 LEU HD1% 1.0 0.0 5.10 1843 1674 A 115 LEU HD1% A 99 LEU HD2% 1.0 0.0 5.10 1844 1675 A 100 GLN H A 99 LEU HBx 1.0 0.0 5.52 1845 1676 A 99 LEU H A 99 LEU HBx 1.0 0.0 5.17 1846 1677 A 99 LEU HA A 99 LEU HBx 1.0 0.0 4.92 1847 1678 A 99 LEU HBx A 99 LEU HBy 1.0 0.0 3.68 1848 1679 A 99 LEU HBx A 99 LEU HD1% 1.0 0.0 4.96 1849 1679 A 99 LEU HBx A 99 LEU HD2% 1.0 0.0 4.96 1850 1680 A 100 GLN H A 99 LEU HBy 1.0 0.0 5.11 1851 1681 A 99 LEU H A 99 LEU HBy 1.0 0.0 4.83 1852 1682 A 99 LEU HA A 99 LEU HBy 1.0 0.0 5.09 1853 1683 A 99 LEU HBy A 99 LEU HD1% 1.0 0.0 4.94 1854 1683 A 99 LEU HD2% A 99 LEU HBy 1.0 0.0 4.94 1855 1684 A 99 LEU H A 99 LEU HG 1.0 0.0 4.71 1856 1685 A 116 GLN H A 99 LEU HG 1.0 0.0 5.44 1857 1686 A 116 GLN HA A 99 LEU HG 1.0 0.0 4.43 1858 1687 A 99 LEU HA A 99 LEU HG 1.0 0.0 5.20 1859 1688 A 116 GLN HGx A 99 LEU HG 1.0 0.0 4.61 1860 1689 A 99 LEU HBx A 99 LEU HG 1.0 0.0 4.37 1861 1690 A 99 LEU HG A 99 LEU HD1% 1.0 0.0 3.53 1862 1690 A 99 LEU HD2% A 99 LEU HG 1.0 0.0 3.53 1863 1691 A 66 GLU H A 65 PRO HGx 1.0 0.0 5.59 1864 1692 A 100 GLN HE2y A 100 GLN HGy 1.0 0.0 5.15 1865 1693 A 100 GLN HE2x A 100 GLN HGy 1.0 0.0 5.48 1866 1694 A 100 GLN H A 100 GLN HGx 1.0 0.0 5.47 1867 1695 A 100 GLN HE2x A 100 GLN HGx 1.0 0.0 5.34 1868 1696 A 100 GLN HGx A 100 GLN HB2 1.0 0.0 4.62 1869 1696 A 100 GLN HGx A 100 GLN HB3 1.0 0.0 4.62 1870 1697 A 113 ALA H A 111 SER HBx 1.0 0.0 5.06 1871 1698 A 110 VAL HG1% A 111 SER HBx 1.0 0.0 5.49 1872 1699 A 102 THR H A 102 THR HB 1.0 0.0 4.43 1873 1700 A 99 LEU HA A 102 THR HB 1.0 0.0 5.15 1874 1701 A 102 THR HG2% A 102 THR HB 1.0 0.0 4.33 1875 1702 A 103 GLU H A 102 THR HG2% 1.0 0.0 4.63 1876 1703 A 42 CYS H A 102 THR HG2% 1.0 0.0 4.45 1877 1704 A 104 LYS HA A 104 LYS H 1.0 0.0 4.74 1878 1705 A 104 LYS HA A 104 LYS HB2 1.0 0.0 4.02 1879 1705 A 104 LYS HA A 104 LYS HB3 1.0 0.0 4.02 1880 1706 A 104 LYS HA A 104 LYS HGx 1.0 0.0 5.12 1881 1707 A 104 LYS H A 104 LYS HGy 1.0 0.0 5.24 1882 1708 A 104 LYS HGy A 104 LYS HE2 1.0 0.0 5.02 1883 1708 A 104 LYS HE3 A 104 LYS HGy 1.0 0.0 5.02 1884 1709 A 104 LYS HGx A 104 LYS HGy 1.0 0.0 3.43 1885 1710 A 104 LYS HA A 104 LYS HE2 1.0 0.0 5.39 1886 1710 A 104 LYS HA A 104 LYS HE3 1.0 0.0 5.39 1887 1711 A 107 LEU HD2% A 104 LYS HE2 1.0 0.0 4.65 1888 1711 A 107 LEU HD2% A 104 LYS HE3 1.0 0.0 4.65 1889 1712 A 104 LYS HA A 104 LYS HGx 1.0 0.0 5.25 1890 1713 A 104 LYS HGx A 104 LYS HE2 1.0 0.0 4.95 1891 1713 A 104 LYS HGx A 104 LYS HE3 1.0 0.0 4.95 1892 1714 A 105 SER H A 104 LYS HB2 1.0 0.0 5.58 1893 1714 A 105 SER H A 104 LYS HB3 1.0 0.0 5.58 1894 1715 A 104 LYS H A 104 LYS HB2 1.0 0.0 4.41 1895 1715 A 104 LYS H A 104 LYS HB3 1.0 0.0 4.41 1896 1716 A 104 LYS HA A 104 LYS HB2 1.0 0.0 4.35 1897 1716 A 104 LYS HA A 104 LYS HB3 1.0 0.0 4.35 1898 1717 A 104 LYS HGx A 104 LYS HB2 1.0 0.0 4.41 1899 1717 A 104 LYS HB3 A 104 LYS HGx 1.0 0.0 4.41 1900 1718 A 105 SER H A 105 SER HB2 1.0 0.0 5.05 1901 1718 A 105 SER H A 105 SER HB3 1.0 0.0 5.05 1902 1719 A 122 VAL HA A 123 LEU H 1.0 0.0 3.50 1903 1720 A 122 VAL HA A 122 VAL HB 1.0 0.0 4.40 1904 1721 A 122 VAL HA A 122 VAL HG1% 1.0 0.0 3.74 1905 1721 A 122 VAL HA A 122 VAL HG2% 1.0 0.0 3.74 1906 1722 A 106 ALA H A 106 ALA HB% 1.0 0.0 3.87 1907 1723 A 107 LEU H A 106 ALA HB% 1.0 0.0 4.88 1908 1724 A 106 ALA HA A 106 ALA HB% 1.0 0.0 3.74 1909 1725 A 115 LEU HD2% A 106 ALA HB% 1.0 0.0 4.46 1910 1726 A 106 ALA H A 106 ALA HA 1.0 0.0 4.89 1911 1727 A 109 TYR HD% A 106 ALA HA 1.0 0.0 5.11 1912 1728 A 106 ALA HA A 106 ALA HB% 1.0 0.0 3.93 1913 1729 A 41 VAL HG1% A 106 ALA HA 1.0 0.0 5.39 1914 1730 A 107 LEU H A 107 LEU HD2% 1.0 0.0 4.79 1915 1731 A 107 LEU HA A 107 LEU HD2% 1.0 0.0 4.91 1916 1732 A 104 LYS HA A 107 LEU HD2% 1.0 0.0 5.07 1917 1733 A 107 LEU HBy A 107 LEU HD2% 1.0 0.0 3.40 1918 1734 A 107 LEU HD2% A 104 LYS HGx 1.0 0.0 5.65 1919 1735 A 107 LEU HD1% A 107 LEU HD2% 1.0 0.0 3.49 1920 1736 A 107 LEU H A 107 LEU HBx 1.0 0.0 5.12 1921 1737 A 107 LEU HA A 107 LEU HBx 1.0 0.0 5.07 1922 1738 A 107 LEU HD2% A 107 LEU HBx 1.0 0.0 4.56 1923 1739 A 107 LEU HD1% A 107 LEU HBx 1.0 0.0 5.06 1924 1740 A 107 LEU HD1% A 112 LEU H 1.0 0.0 4.22 1925 1741 A 107 LEU H A 107 LEU HD1% 1.0 0.0 4.55 1926 1742 A 107 LEU HD1% A 111 SER HA 1.0 0.0 4.84 1927 1743 A 107 LEU HD1% A 112 LEU HA 1.0 0.0 4.11 1928 1744 A 107 LEU HD1% A 107 LEU HG 1.0 0.0 3.46 1929 1745 A 107 LEU HD1% A 112 LEU HBx 1.0 0.0 4.25 1930 1746 A 107 LEU HD1% A 107 LEU HD2% 1.0 0.0 3.53 1931 1747 A 115 LEU HD2% A 107 LEU HD1% 1.0 0.0 4.04 1932 1748 A 107 LEU H A 107 LEU HBy 1.0 0.0 5.10 1933 1749 A 107 LEU HBy A 107 LEU HA 1.0 0.0 5.09 1934 1750 A 107 LEU HBy A 107 LEU HD2% 1.0 0.0 4.59 1935 1751 A 107 LEU HBy A 107 LEU HD1% 1.0 0.0 4.88 1936 1752 A 108 ARG H A 108 ARG HGy 1.0 0.0 4.66 1937 1753 A 123 LEU HA A 123 LEU HG 1.0 0.0 5.03 1938 1754 A 108 ARG HA A 108 ARG HGy 1.0 0.0 4.70 1939 1755 A 108 ARG HDy A 108 ARG HGy 1.0 0.0 4.22 1940 1756 A 108 ARG HBx A 108 ARG HGy 1.0 0.0 3.32 1941 1757 A 108 ARG H A 108 ARG HGx 1.0 0.0 4.90 1942 1758 A 109 TYR H A 108 ARG HBx 1.0 0.0 5.66 1943 1759 A 108 ARG H A 108 ARG HBx 1.0 0.0 4.67 1944 1760 A 108 ARG HA A 108 ARG HBx 1.0 0.0 4.41 1945 1761 A 108 ARG HBx A 108 ARG HDx 1.0 0.0 4.95 1946 1762 A 108 ARG HBy A 108 ARG HBx 1.0 0.0 3.48 1947 1763 A 108 ARG H A 108 ARG HBy 1.0 0.0 4.69 1948 1764 A 108 ARG HA A 108 ARG HBy 1.0 0.0 5.32 1949 1765 A 108 ARG HBy A 108 ARG HDx 1.0 0.0 5.29 1950 1766 A 108 ARG HBy A 108 ARG HBx 1.0 0.0 3.49 1951 1767 A 108 ARG HDx A 109 TYR HE% 1.0 0.0 5.32 1952 1768 A 108 ARG HA A 108 ARG HDx 1.0 0.0 5.21 1953 1769 A 108 ARG HBy A 108 ARG HDx 1.0 0.0 4.15 1954 1770 A 108 ARG HBx A 108 ARG HDx 1.0 0.0 4.32 1955 1771 A 110 VAL HG2% A 109 TYR HBx 1.0 0.0 5.59 1956 1772 A 109 TYR H A 109 TYR HBy 1.0 0.0 5.03 1957 1773 A 109 TYR HD% A 109 TYR HBy 1.0 0.0 4.64 1958 1774 A 109 TYR HA A 109 TYR HBy 1.0 0.0 4.67 1959 1775 A 109 TYR HBy A 109 TYR HBx 1.0 0.0 3.82 1960 1776 A 82 ALA HB% A 109 TYR HBy 1.0 0.0 4.85 1961 1777 A 110 VAL HG2% A 109 TYR HBy 1.0 0.0 5.34 1962 1778 A 110 VAL HG1% A 111 SER H 1.0 0.0 4.98 1963 1779 A 109 TYR H A 110 VAL HG1% 1.0 0.0 5.10 1964 1780 A 110 VAL HG1% A 110 VAL H 1.0 0.0 4.11 1965 1781 A 108 ARG H A 110 VAL HG1% 1.0 0.0 5.76 1966 1782 A 114 ASP H A 110 VAL HG1% 1.0 0.0 4.96 1967 1783 A 110 VAL HG1% A 85 TRP HD1 1.0 0.0 5.34 1968 1784 A 110 VAL HG1% A 107 LEU HA 1.0 0.0 4.66 1969 1785 A 110 VAL HG1% A 110 VAL HA 1.0 0.0 4.49 1970 1786 A 110 VAL HG1% A 86 GLN HA 1.0 0.0 5.48 1971 1787 A 110 VAL HG1% A 109 TYR HBx 1.0 0.0 5.16 1972 1788 A 110 VAL HG1% A 110 VAL HB 1.0 0.0 3.96 1973 1789 A 110 VAL HG1% A 82 ALA HB% 1.0 0.0 4.66 1974 1790 A 110 VAL HG1% A 110 VAL HG2% 1.0 0.0 3.46 1975 1791 A 115 LEU HD2% A 110 VAL HG1% 1.0 0.0 3.61 1976 1792 A 115 LEU HD1% A 110 VAL HG1% 1.0 0.0 3.89 1977 1793 A 110 VAL HG2% A 111 SER H 1.0 0.0 4.74 1978 1794 A 86 GLN H A 110 VAL HG2% 1.0 0.0 5.51 1979 1795 A 110 VAL HG2% A 110 VAL H 1.0 0.0 4.83 1980 1796 A 85 TRP HD1 A 110 VAL HG2% 1.0 0.0 4.56 1981 1797 A 110 VAL HG2% A 110 VAL HA 1.0 0.0 4.00 1982 1798 A 86 GLN HA A 110 VAL HG2% 1.0 0.0 4.80 1983 1799 A 110 VAL HG2% A 85 TRP HB2 1.0 0.0 5.45 1984 1799 A 85 TRP HB3 A 110 VAL HG2% 1.0 0.0 5.45 1985 1800 A 110 VAL HG2% A 109 TYR HBy 1.0 0.0 5.09 1986 1801 A 86 GLN HGy A 110 VAL HG2% 1.0 0.0 4.60 1987 1802 A 86 GLN HBy A 110 VAL HG2% 1.0 0.0 4.36 1988 1803 A 110 VAL HG2% A 110 VAL HB 1.0 0.0 3.85 1989 1804 A 110 VAL HG1% A 110 VAL HG2% 1.0 0.0 3.40 1990 1805 A 115 LEU HD2% A 110 VAL HG2% 1.0 0.0 4.61 1991 1806 A 115 LEU HD1% A 110 VAL HG2% 1.0 0.0 4.32 1992 1807 A 110 VAL HB A 111 SER H 1.0 0.0 4.33 1993 1808 A 110 VAL H A 110 VAL HB 1.0 0.0 5.23 1994 1809 A 85 TRP HD1 A 110 VAL HB 1.0 0.0 5.64 1995 1810 A 110 VAL HA A 110 VAL HB 1.0 0.0 4.09 1996 1811 A 110 VAL HG2% A 110 VAL HB 1.0 0.0 3.95 1997 1812 A 110 VAL HG1% A 110 VAL HB 1.0 0.0 3.93 1998 1813 A 115 LEU HD2% A 110 VAL HB 1.0 0.0 5.28 1999 1814 A 115 LEU HD1% A 110 VAL HB 1.0 0.0 5.45 2000 1815 A 111 SER H A 111 SER HA 1.0 0.0 3.64 2001 1816 A 111 SER HBx A 113 ALA HB% 1.0 0.0 5.28 2002 1817 A 112 LEU H A 111 SER HBy 1.0 0.0 3.95 2003 1818 A 113 ALA H A 111 SER HBy 1.0 0.0 4.86 2004 1819 A 114 ASP H A 111 SER HBy 1.0 0.0 5.26 2005 1820 A 111 SER HA A 111 SER HBy 1.0 0.0 3.93 2006 1821 A 111 SER HBy A 113 ALA HB% 1.0 0.0 5.08 2007 1822 A 112 LEU H A 112 LEU HA 1.0 0.0 4.78 2008 1823 A 112 LEU HA A 107 LEU HG 1.0 0.0 4.47 2009 1824 A 112 LEU HA A 112 LEU HBx 1.0 0.0 4.21 2010 1825 A 115 LEU HD2% A 112 LEU HA 1.0 0.0 4.45 2011 1826 A 112 LEU H A 112 LEU HD1% 1.0 0.0 5.13 2012 1827 A 112 LEU H A 112 LEU HD2% 1.0 0.0 4.96 2013 1828 A 116 GLN H A 112 LEU HD2% 1.0 0.0 5.51 2014 1829 A 112 LEU HD2% A 116 GLN HBy 1.0 0.0 4.94 2015 1830 A 113 ALA H A 112 LEU HBy 1.0 0.0 5.11 2016 1831 A 112 LEU H A 112 LEU HG 1.0 0.0 5.26 2017 1832 A 113 ALA HA A 112 LEU HG 1.0 0.0 5.68 2018 1833 A 112 LEU HA A 112 LEU HG 1.0 0.0 5.21 2019 1834 A 116 GLN HGy A 112 LEU HG 1.0 0.0 5.45 2020 1835 A 112 LEU HBy A 112 LEU HG 1.0 0.0 4.09 2021 1836 A 112 LEU H A 113 ALA HB% 1.0 0.0 5.41 2022 1837 A 112 LEU HA A 113 ALA HB% 1.0 0.0 5.43 2023 1838 A 113 ALA H A 113 ALA HA 1.0 0.0 4.32 2024 1839 A 115 LEU H A 115 LEU HA 1.0 0.0 4.91 2025 1840 A 115 LEU HA A 85 TRP HH2 1.0 0.0 5.33 2026 1841 A 115 LEU HA A 115 LEU HBy 1.0 0.0 5.07 2027 1842 A 115 LEU HG A 115 LEU HA 1.0 0.0 5.30 2028 1843 A 115 LEU HA A 115 LEU HBx 1.0 0.0 4.63 2029 1844 A 97 VAL HG1% A 115 LEU HA 1.0 0.0 4.73 2030 1845 A 115 LEU HD2% A 115 LEU HA 1.0 0.0 5.05 2031 1846 A 115 LEU HD1% A 115 LEU HA 1.0 0.0 4.05 2032 1847 A 116 GLN H A 115 LEU HD2% 1.0 0.0 5.66 2033 1848 A 115 LEU H A 115 LEU HD2% 1.0 0.0 5.07 2034 1849 A 115 LEU HD2% A 102 THR HB 1.0 0.0 5.43 2035 1850 A 115 LEU HD2% A 112 LEU HA 1.0 0.0 4.29 2036 1851 A 115 LEU HD2% A 115 LEU HBy 1.0 0.0 4.13 2037 1852 A 115 LEU HD2% A 102 THR HG2% 1.0 0.0 3.89 2038 1853 A 115 LEU HD2% A 115 LEU HD1% 1.0 0.0 3.72 2039 1854 A 115 LEU H A 115 LEU HD1% 1.0 0.0 5.25 2040 1855 A 115 LEU HD1% A 85 TRP HD1 1.0 0.0 5.51 2041 1856 A 115 LEU HD1% A 115 LEU HA 1.0 0.0 3.86 2042 1857 A 115 LEU HD1% A 115 LEU HBy 1.0 0.0 4.55 2043 1858 A 115 LEU HG A 115 LEU HD1% 1.0 0.0 4.09 2044 1859 A 115 LEU HD1% A 102 THR HG2% 1.0 0.0 4.61 2045 1860 A 115 LEU HD1% A 115 LEU HBx 1.0 0.0 5.05 2046 1861 A 115 LEU HD1% A 110 VAL HG1% 1.0 0.0 4.05 2047 1862 A 115 LEU HD1% A 97 VAL HG1% 1.0 0.0 4.03 2048 1863 A 115 LEU HD2% A 115 LEU HD1% 1.0 0.0 3.59 2049 1864 A 115 LEU H A 115 LEU HBy 1.0 0.0 5.40 2050 1865 A 112 LEU HA A 115 LEU HBy 1.0 0.0 5.60 2051 1866 A 115 LEU HA A 115 LEU HBy 1.0 0.0 5.35 2052 1867 A 115 LEU HD1% A 115 LEU HBy 1.0 0.0 5.27 2053 1868 A 115 LEU H A 115 LEU HG 1.0 0.0 4.54 2054 1869 A 115 LEU HG A 112 LEU HA 1.0 0.0 5.62 2055 1870 A 115 LEU HG A 115 LEU HA 1.0 0.0 5.37 2056 1871 A 115 LEU HG A 115 LEU HBy 1.0 0.0 5.17 2057 1872 A 115 LEU HG A 110 VAL HG1% 1.0 0.0 5.10 2058 1873 A 115 LEU HG A 115 LEU HD1% 1.0 0.0 4.41 2059 1874 A 116 GLN H A 116 GLN HA 1.0 0.0 4.61 2060 1875 A 116 GLN HA A 118 HIS H 1.0 0.0 5.37 2061 1876 A 116 GLN HGy A 116 GLN HA 1.0 0.0 4.82 2062 1877 A 116 GLN HA A 116 GLN HBy 1.0 0.0 3.96 2063 1878 A 116 GLN HBx A 116 GLN HA 1.0 0.0 4.26 2064 1879 A 116 GLN HA A 117 ALA HB% 1.0 0.0 5.54 2065 1880 A 119 ALA HB% A 116 GLN HA 1.0 0.0 3.97 2066 1881 A 116 GLN HA A 99 LEU HG 1.0 0.0 4.36 2067 1882 A 116 GLN HA A 99 LEU HD1% 1.0 0.0 4.63 2068 1882 A 99 LEU HD2% A 116 GLN HA 1.0 0.0 4.63 2069 1883 A 116 GLN H A 116 GLN HBx 1.0 0.0 4.57 2070 1884 A 117 ALA H A 116 GLN HBx 1.0 0.0 5.31 2071 1885 A 113 ALA HA A 116 GLN HBx 1.0 0.0 4.75 2072 1886 A 116 GLN HBx A 116 GLN HA 1.0 0.0 4.37 2073 1887 A 116 GLN HBx A 116 GLN HBy 1.0 0.0 3.27 2074 1888 A 116 GLN HBx A 112 LEU HG 1.0 0.0 5.51 2075 1889 A 112 LEU HD2% A 116 GLN HBx 1.0 0.0 5.29 2076 1890 A 116 GLN H A 116 GLN HBy 1.0 0.0 4.40 2077 1891 A 117 ALA H A 116 GLN HBy 1.0 0.0 5.05 2078 1892 A 116 GLN HE2y A 116 GLN HBy 1.0 0.0 5.68 2079 1893 A 113 ALA HA A 116 GLN HBy 1.0 0.0 4.57 2080 1894 A 116 GLN HA A 116 GLN HBy 1.0 0.0 4.64 2081 1895 A 116 GLN HGy A 116 GLN HBy 1.0 0.0 4.02 2082 1896 A 116 GLN HBx A 116 GLN HBy 1.0 0.0 3.45 2083 1897 A 112 LEU HG A 116 GLN HBy 1.0 0.0 5.27 2084 1898 A 116 GLN HBy A 99 LEU HD1% 1.0 0.0 5.66 2085 1898 A 99 LEU HD2% A 116 GLN HBy 1.0 0.0 5.66 2086 1899 A 116 GLN H A 116 GLN HGx 1.0 0.0 4.46 2087 1900 A 116 GLN HE2y A 116 GLN HGx 1.0 0.0 4.40 2088 1901 A 116 GLN HE2x A 116 GLN HGx 1.0 0.0 5.25 2089 1902 A 113 ALA HA A 116 GLN HGx 1.0 0.0 5.08 2090 1903 A 116 GLN HGx A 116 GLN HA 1.0 0.0 4.29 2091 1904 A 116 GLN HGy A 116 GLN HGx 1.0 0.0 3.28 2092 1905 A 116 GLN HGx A 116 GLN HBx 1.0 0.0 3.91 2093 1906 A 116 GLN HGx A 112 LEU HG 1.0 0.0 4.68 2094 1907 A 116 GLN HGx A 99 LEU HD1% 1.0 0.0 5.16 2095 1907 A 99 LEU HD2% A 116 GLN HGx 1.0 0.0 5.16 2096 1908 A 116 GLN H A 117 ALA HB% 1.0 0.0 5.33 2097 1909 A 117 ALA H A 117 ALA HB% 1.0 0.0 3.30 2098 1910 A 115 LEU H A 117 ALA HB% 1.0 0.0 5.18 2099 1911 A 114 ASP H A 117 ALA HB% 1.0 0.0 5.44 2100 1912 A 114 ASP HA A 117 ALA HB% 1.0 0.0 4.05 2101 1913 A 117 ALA HB% A 117 ALA HA 1.0 0.0 3.21 2102 1914 A 116 GLN HA A 117 ALA HB% 1.0 0.0 5.61 2103 1915 A 116 GLN HBx A 117 ALA HB% 1.0 0.0 4.86 2104 1916 A 97 VAL HG1% A 118 HIS HBx 1.0 0.0 5.35 2105 1917 A 120 LEU H A 119 ALA HB% 1.0 0.0 4.62 2106 1918 A 119 ALA HB% A 119 ALA H 1.0 0.0 3.73 2107 1919 A 119 ALA HB% A 116 GLN HA 1.0 0.0 3.99 2108 1920 A 119 ALA HB% A 99 LEU HG 1.0 0.0 6.30 2109 1921 A 97 VAL HG1% A 119 ALA HB% 1.0 0.0 3.90 2110 1922 A 120 LEU HA A 121 PRO HDy 1.0 0.0 4.07 2111 1923 A 123 LEU H A 123 LEU HD1% 1.0 0.0 5.13 2112 1924 A 123 LEU HA A 123 LEU HD1% 1.0 0.0 4.89 2113 1925 A 120 LEU H A 120 LEU HBx 1.0 0.0 4.67 2114 1926 A 123 LEU HBx A 123 LEU H 1.0 0.0 4.54 2115 1927 A 123 LEU HA A 123 LEU HBx 1.0 0.0 4.44 2116 1928 A 120 LEU HD2% A 120 LEU HBx 1.0 0.0 3.98 2117 1929 A 123 LEU H A 123 LEU HG 1.0 0.0 4.56 2118 1930 A 121 PRO HA A 122 VAL H 1.0 0.0 3.42 2119 1931 A 121 PRO HA A 121 PRO HBy 1.0 0.0 3.87 2120 1932 A 121 PRO HA A 121 PRO HG2 1.0 0.0 4.23 2121 1932 A 121 PRO HA A 121 PRO HG3 1.0 0.0 4.23 2122 1933 A 121 PRO HA A 121 PRO HBx 1.0 0.0 4.25 2123 1934 A 122 VAL H A 121 PRO HBx 1.0 0.0 4.77 2124 1935 A 121 PRO HA A 121 PRO HBx 1.0 0.0 4.12 2125 1936 A 121 PRO HDy A 121 PRO HBx 1.0 0.0 5.01 2126 1937 A 121 PRO HDx A 121 PRO HBx 1.0 0.0 4.70 2127 1938 A 121 PRO HBy A 121 PRO HBx 1.0 0.0 3.18 2128 1939 A 121 PRO HBx A 121 PRO HG2 1.0 0.0 3.54 2129 1939 A 121 PRO HBx A 121 PRO HG3 1.0 0.0 3.54 2130 1940 A 120 LEU HD1% A 121 PRO HBx 1.0 0.0 5.55 2131 1941 A 122 VAL H A 121 PRO HBy 1.0 0.0 4.63 2132 1942 A 121 PRO HA A 121 PRO HBy 1.0 0.0 3.77 2133 1943 A 121 PRO HBy A 121 PRO HDy 1.0 0.0 5.04 2134 1944 A 121 PRO HBy A 121 PRO HDx 1.0 0.0 5.06 2135 1945 A 121 PRO HBy A 121 PRO HG2 1.0 0.0 3.52 2136 1945 A 121 PRO HBy A 121 PRO HG3 1.0 0.0 3.52 2137 1946 A 121 PRO HBy A 120 LEU HD1% 1.0 0.0 5.61 2138 1947 A 121 PRO HBy A 121 PRO HDx 1.0 0.0 5.42 2139 1948 A 121 PRO HDx A 121 PRO HBx 1.0 0.0 4.70 2140 1949 A 121 PRO HDx A 120 LEU HBx 1.0 0.0 5.07 2141 1950 A 122 VAL H A 122 VAL HG1% 1.0 0.0 4.46 2142 1950 A 122 VAL H A 122 VAL HG2% 1.0 0.0 4.46 2143 1951 A 122 VAL HA A 122 VAL HG1% 1.0 0.0 4.08 2144 1951 A 122 VAL HA A 122 VAL HG2% 1.0 0.0 4.08 2145 1952 A 124 GLU H A 124 GLU HBx 1.0 0.0 5.02 2146 1953 A 124 GLU HBx A 124 GLU HGx 1.0 0.0 4.51 2147 1954 A 124 GLU HA A 124 GLU HGy 1.0 0.0 5.21 2148 1955 A 124 GLU HBy A 124 GLU HGy 1.0 0.0 3.76 2149 1956 A 124 GLU H A 124 GLU HBy 1.0 0.0 4.81 2150 1957 A 124 GLU HGx A 124 GLU HBy 1.0 0.0 4.87 2151 1958 A 124 GLU HBx A 124 GLU HGx 1.0 0.0 4.02 2152 1959 A 123 LEU HA A 123 LEU H 1.0 0.0 4.91 2153 1960 A 120 LEU HBy A 120 LEU HA 1.0 0.0 4.20 2154 1961 A 97 VAL H A 119 ALA HB% 1.0 0.0 6.29 2155 1962 A 119 ALA HB% A 119 ALA HA 1.0 0.0 3.81 2156 1963 A 119 ALA HB% A 118 HIS HA 1.0 0.0 5.71 2157 1964 A 119 ALA HB% A 116 GLN HBy 1.0 0.0 6.08 2158 1965 A 119 ALA HB% A 97 VAL HG2% 1.0 0.0 6.21 2159 1966 A 97 VAL HG1% A 119 ALA HB% 1.0 0.0 4.44 2160 1967 A 119 ALA HB% A 99 LEU HG 1.0 0.0 4.66 2161 1968 A 97 VAL H A 118 HIS HBx 1.0 0.0 5.90 2162 1969 A 118 HIS HBx A 85 TRP HH2 1.0 0.0 6.30 2163 1970 A 96 PRO HA A 118 HIS HBx 1.0 0.0 6.30 2164 1971 A 118 HIS HBy A 117 ALA HB% 1.0 0.0 5.54 2165 1972 A 115 LEU HA A 117 ALA HB% 1.0 0.0 6.18 2166 1973 A 117 ALA HB% A 116 GLN HBy 1.0 0.0 6.30 2167 1974 A 116 GLN HA A 119 ALA H 1.0 0.0 5.59 2168 1975 A 116 GLN HA A 117 ALA HA 1.0 0.0 6.30 2169 1976 A 116 GLN HBy A 112 LEU HD1% 1.0 0.0 5.58 2170 1977 A 116 GLN H A 115 LEU HA 1.0 0.0 5.95 2171 1978 A 85 TRP HZ2 A 115 LEU HA 1.0 0.0 6.30 2172 1979 A 115 LEU HG A 115 LEU HBy 1.0 0.0 5.52 2173 1980 A 112 LEU HA A 115 LEU HBx 1.0 0.0 6.17 2174 1981 A 115 LEU HG A 115 LEU HBx 1.0 0.0 5.34 2175 1982 A 115 LEU HD2% A 115 LEU HBx 1.0 0.0 4.97 2176 1983 A 115 LEU HD2% A 111 SER H 1.0 0.0 6.27 2177 1984 A 115 LEU HD2% A 107 LEU HA 1.0 0.0 6.30 2178 1985 A 115 LEU HD2% A 111 SER HA 1.0 0.0 6.30 2179 1986 A 115 LEU HD2% A 99 LEU HA 1.0 0.0 5.11 2180 1987 A 116 GLN H A 113 ALA HA 1.0 0.0 5.41 2181 1988 A 112 LEU HA A 113 ALA HA 1.0 0.0 5.72 2182 1989 A 113 ALA HA A 112 LEU HD2% 1.0 0.0 6.12 2183 1990 A 116 GLN H A 113 ALA HB% 1.0 0.0 6.17 2184 1991 A 113 ALA H A 112 LEU HA 1.0 0.0 6.30 2185 1992 A 115 LEU H A 112 LEU HA 1.0 0.0 5.79 2186 1993 A 111 SER HA A 112 LEU HBy 1.0 0.0 6.17 2187 1994 A 115 LEU HD2% A 112 LEU HBy 1.0 0.0 6.22 2188 1995 A 113 ALA H A 112 LEU HG 1.0 0.0 6.30 2189 1996 A 116 GLN HE2x A 112 LEU HD1% 1.0 0.0 5.37 2190 1997 A 116 GLN HE2y A 112 LEU HD1% 1.0 0.0 6.30 2191 1998 A 113 ALA H A 112 LEU HD1% 1.0 0.0 6.24 2192 1999 A 116 GLN HE2x A 112 LEU HD2% 1.0 0.0 5.79 2193 2000 A 113 ALA H A 112 LEU HD2% 1.0 0.0 6.30 2194 2001 A 111 SER HBy A 107 LEU HG 1.0 0.0 5.99 2195 2002 A 110 VAL HG1% A 111 SER HBy 1.0 0.0 5.74 2196 2003 A 110 VAL HG1% A 112 LEU HA 1.0 0.0 5.85 2197 2004 A 115 LEU HG A 110 VAL HG1% 1.0 0.0 5.06 2198 2005 A 41 VAL HG2% A 110 VAL HG1% 1.0 0.0 4.77 2199 2006 A 109 TYR HA A 109 TYR HBx 1.0 0.0 5.53 2200 2007 A 109 TYR HA A 109 TYR HBy 1.0 0.0 5.16 2201 2008 A 109 TYR HD% A 109 TYR HA 1.0 0.0 5.65 2202 2009 A 109 TYR HD% A 108 ARG HBx 1.0 0.0 6.30 2203 2010 A 54 ARG H A 54 ARG HDx 1.0 0.0 5.80 2204 2011 A 107 LEU HA A 107 LEU HG 1.0 0.0 5.74 2205 2012 A 107 LEU HD2% A 104 LYS HE2 1.0 0.0 5.91 2206 2012 A 107 LEU HD2% A 104 LYS HE3 1.0 0.0 5.91 2207 2013 A 115 LEU HD1% A 106 ALA HB% 1.0 0.0 6.30 2208 2014 A 106 ALA HB% A 107 LEU HA 1.0 0.0 5.79 2209 2015 A 42 CYS H A 106 ALA HB% 1.0 0.0 6.30 2210 2016 A 105 SER H A 106 ALA HB% 1.0 0.0 6.30 2211 2017 A 103 GLU HA A 104 LYS HB2 1.0 0.0 5.70 2212 2017 A 103 GLU HA A 104 LYS HB3 1.0 0.0 5.70 2213 2018 A 103 GLU HA A 104 LYS H 1.0 0.0 4.69 2214 2019 A 103 GLU HA A 103 GLU HGx 1.0 0.0 5.35 2215 2020 A 103 GLU H A 103 GLU HBy 1.0 0.0 5.44 2216 2021 A 103 GLU HBy A 40 THR HB 1.0 0.0 5.40 2217 2022 A 41 VAL HA A 103 GLU HBy 1.0 0.0 6.10 2218 2023 A 103 GLU HBy A 103 GLU HGy 1.0 0.0 5.79 2219 2024 A 103 GLU HBy A 103 GLU HGx 1.0 0.0 5.57 2220 2025 A 103 GLU HBy A 103 GLU HBx 1.0 0.0 4.91 2221 2026 A 103 GLU HBy A 40 THR HG2% 1.0 0.0 5.79 2222 2027 A 103 GLU H A 103 GLU HBx 1.0 0.0 5.35 2223 2028 A 103 GLU HBx A 40 THR HB 1.0 0.0 5.55 2224 2029 A 41 VAL HA A 103 GLU HBx 1.0 0.0 5.42 2225 2030 A 103 GLU HBx A 103 GLU HGy 1.0 0.0 5.78 2226 2031 A 103 GLU HBx A 103 GLU HGx 1.0 0.0 4.89 2227 2032 A 103 GLU HBy A 103 GLU HBx 1.0 0.0 5.00 2228 2033 A 103 GLU HA A 103 GLU HGx 1.0 0.0 5.90 2229 2034 A 104 LYS H A 103 GLU HGx 1.0 0.0 5.69 2230 2035 A 103 GLU H A 103 GLU HGx 1.0 0.0 6.22 2231 2036 A 102 THR HG2% A 102 THR H 1.0 0.0 6.30 2232 2037 A 102 THR HG2% A 102 THR HA 1.0 0.0 4.60 2233 2038 A 102 THR HG2% A 97 VAL HG2% 1.0 0.0 5.24 2234 2039 A 98 VAL HB A 101 SER HBy 1.0 0.0 6.13 2235 2040 A 101 SER HA A 101 SER HBx 1.0 0.0 5.50 2236 2041 A 98 VAL HB A 101 SER HBx 1.0 0.0 6.18 2237 2042 A 101 SER HBx A 98 VAL HG2% 1.0 0.0 5.97 2238 2043 A 98 VAL HG1% A 101 SER HBx 1.0 0.0 6.17 2239 2044 A 100 GLN HGx A 100 GLN HA 1.0 0.0 5.63 2240 2045 A 100 GLN HA A 100 GLN HGy 1.0 0.0 5.17 2241 2046 A 101 SER HBy A 100 GLN HB2 1.0 0.0 5.12 2242 2046 A 100 GLN HB3 A 101 SER HBy 1.0 0.0 5.12 2243 2047 A 100 GLN HA A 100 GLN HGy 1.0 0.0 5.87 2244 2048 A 100 GLN HGx A 100 GLN HA 1.0 0.0 5.31 2245 2049 A 100 GLN H A 99 LEU HA 1.0 0.0 5.87 2246 2050 A 97 VAL HG2% A 99 LEU HA 1.0 0.0 4.34 2247 2051 A 97 VAL HG1% A 99 LEU HA 1.0 0.0 5.11 2248 2052 A 116 GLN HE2y A 99 LEU HG 1.0 0.0 6.21 2249 2053 A 100 GLN H A 99 LEU HG 1.0 0.0 5.95 2250 2054 A 119 ALA HA A 99 LEU HD1% 1.0 0.0 6.16 2251 2054 A 99 LEU HD2% A 119 ALA HA 1.0 0.0 6.16 2252 2055 A 101 SER HA A 98 VAL HG2% 1.0 0.0 6.28 2253 2056 A 102 THR H A 98 VAL HG2% 1.0 0.0 6.23 2254 2057 A 100 GLN HGy A 98 VAL HG2% 1.0 0.0 5.74 2255 2058 A 44 GLU H A 98 VAL HG1% 1.0 0.0 6.30 2256 2059 A 43 ALA HA A 97 VAL HB 1.0 0.0 6.28 2257 2060 A 96 PRO HA A 97 VAL HB 1.0 0.0 6.30 2258 2061 A 97 VAL HB A 97 VAL HA 1.0 0.0 5.18 2259 2062 A 115 LEU HD1% A 97 VAL HB 1.0 0.0 6.30 2260 2063 A 116 GLN H A 97 VAL HG1% 1.0 0.0 6.30 2261 2064 A 97 VAL HG1% A 96 PRO HA 1.0 0.0 6.30 2262 2065 A 97 VAL HG1% A 119 ALA HA 1.0 0.0 5.81 2263 2066 A 97 VAL HG1% A 118 HIS HBy 1.0 0.0 6.06 2264 2067 A 97 VAL HG1% A 118 HIS HBx 1.0 0.0 6.00 2265 2068 A 43 ALA HA A 97 VAL HG2% 1.0 0.0 5.70 2266 2069 A 97 VAL HG2% A 44 GLU HA 1.0 0.0 5.51 2267 2070 A 97 VAL HG2% A 98 VAL HA 1.0 0.0 5.38 2268 2071 A 96 PRO HA A 96 PRO HBx 1.0 0.0 5.58 2269 2072 A 96 PRO HA A 96 PRO HBy 1.0 0.0 6.30 2270 2073 A 96 PRO HA A 118 HIS HBy 1.0 0.0 5.22 2271 2074 A 96 PRO HBy A 96 PRO HDy 1.0 0.0 6.27 2272 2075 A 94 ALA HB% A 118 HIS HBy 1.0 0.0 5.70 2273 2076 A 88 ALA HA A 93 MET HBy 1.0 0.0 6.30 2274 2077 A 49 PHE HD% A 93 MET HE% 1.0 0.0 6.30 2275 2078 A 93 MET H A 93 MET HE% 1.0 0.0 5.88 2276 2079 A 52 PHE HBy A 93 MET HE% 1.0 0.0 4.85 2277 2080 A 92 GLY H A 91 ALA HA 1.0 0.0 5.65 2278 2081 A 93 MET H A 91 ALA HA 1.0 0.0 5.60 2279 2082 A 90 GLU H A 90 GLU HB2 1.0 0.0 5.26 2280 2082 A 90 GLU H A 90 GLU HB3 1.0 0.0 5.26 2281 2083 A 90 GLU HGy A 86 GLN HA 1.0 0.0 6.30 2282 2084 A 85 TRP H A 88 ALA HB% 1.0 0.0 6.30 2283 2085 A 88 ALA HB% A 93 MET HBx 1.0 0.0 5.11 2284 2086 A 88 ALA H A 87 GLU HA 1.0 0.0 6.30 2285 2087 A 89 PHE H A 87 GLU HA 1.0 0.0 6.30 2286 2088 A 86 GLN HE2x A 86 GLN HA 1.0 0.0 5.62 2287 2089 A 85 TRP HA A 80 LEU HDx% 1.0 0.0 5.83 2288 2090 A 86 GLN H A 85 TRP HA 1.0 0.0 5.87 2289 2091 A 85 TRP HD1 A 85 TRP HB2 1.0 0.0 5.95 2290 2091 A 85 TRP HD1 A 85 TRP HB3 1.0 0.0 5.95 2291 2092 A 84 ARG H A 84 ARG HB2 1.0 0.0 6.12 2292 2092 A 84 ARG H A 84 ARG HB3 1.0 0.0 6.12 2293 2093 A 85 TRP H A 83 SER HA 1.0 0.0 5.50 2294 2094 A 84 ARG H A 83 SER HBx 1.0 0.0 5.94 2295 2095 A 83 SER H A 82 ALA HA 1.0 0.0 6.30 2296 2096 A 82 ALA HB% A 110 VAL H 1.0 0.0 6.02 2297 2097 A 44 GLU HA A 80 LEU HBy 1.0 0.0 5.47 2298 2098 A 45 MET H A 80 LEU HBy 1.0 0.0 6.08 2299 2099 A 80 LEU HG A 80 LEU HBy 1.0 0.0 6.30 2300 2100 A 80 LEU HBx A 44 GLU HA 1.0 0.0 5.53 2301 2101 A 45 MET H A 80 LEU HBx 1.0 0.0 6.11 2302 2102 A 78 TRP H A 80 LEU HBx 1.0 0.0 6.16 2303 2103 A 80 LEU HBx A 80 LEU HDx% 1.0 0.0 5.69 2304 2104 A 80 LEU HBx A 72 LEU HBx 1.0 0.0 6.07 2305 2105 A 80 LEU HG A 80 LEU HDx% 1.0 0.0 6.24 2306 2106 A 50 LEU HD1% A 80 LEU HG 1.0 0.0 6.30 2307 2107 A 80 LEU HG A 80 LEU HBx 1.0 0.0 5.22 2308 2108 A 85 TRP HE1 A 80 LEU HDx% 1.0 0.0 6.07 2309 2109 A 82 ALA H A 80 LEU HDx% 1.0 0.0 6.30 2310 2110 A 42 CYS H A 80 LEU HDx% 1.0 0.0 6.15 2311 2111 A 80 LEU HDx% A 85 TRP HB2 1.0 0.0 6.26 2312 2111 A 85 TRP HB3 A 80 LEU HDx% 1.0 0.0 6.26 2313 2112 A 80 LEU HDx% A 45 MET HGy 1.0 0.0 5.95 2314 2113 A 41 VAL HG2% A 80 LEU HDx% 1.0 0.0 5.59 2315 2114 A 82 ALA H A 80 LEU HDy% 1.0 0.0 6.30 2316 2115 A 76 ASP H A 80 LEU HDy% 1.0 0.0 6.30 2317 2116 A 78 TRP HD1 A 78 TRP HBy 1.0 0.0 6.16 2318 2117 A 78 TRP HD1 A 78 TRP HBx 1.0 0.0 6.10 2319 2118 A 77 ARG HA A 77 ARG H 1.0 0.0 6.27 2320 2119 A 77 ARG HA A 77 ARG HB2 1.0 0.0 6.30 2321 2119 A 77 ARG HA A 77 ARG HB3 1.0 0.0 6.30 2322 2120 A 76 ASP HBy A 76 ASP HA 1.0 0.0 5.90 2323 2121 A 76 ASP HBy A 72 LEU HBx 1.0 0.0 6.30 2324 2122 A 45 MET HBy A 74 ALA HB% 1.0 0.0 6.12 2325 2123 A 50 LEU HD2% A 73 LYS HB2 1.0 0.0 5.99 2326 2123 A 50 LEU HD2% A 73 LYS HB3 1.0 0.0 5.99 2327 2124 A 50 LEU HD2% A 73 LYS HD2 1.0 0.0 6.12 2328 2124 A 50 LEU HD2% A 73 LYS HD3 1.0 0.0 6.12 2329 2125 A 73 LYS HA A 73 LYS HE2 1.0 0.0 6.29 2330 2125 A 73 LYS HA A 73 LYS HE3 1.0 0.0 6.29 2331 2126 A 72 LEU HA A 72 LEU HBy 1.0 0.0 5.69 2332 2127 A 76 ASP HBx A 72 LEU HBy 1.0 0.0 6.30 2333 2128 A 72 LEU HA A 72 LEU HBx 1.0 0.0 5.87 2334 2129 A 73 LYS H A 72 LEU HG 1.0 0.0 6.22 2335 2130 A 76 ASP HBy A 72 LEU HG 1.0 0.0 6.04 2336 2131 A 70 PRO HBy A 70 PRO HDx 1.0 0.0 6.30 2337 2132 A 70 PRO HBy A 70 PRO HGx 1.0 0.0 5.45 2338 2133 A 70 PRO HBx A 70 PRO HDy 1.0 0.0 6.13 2339 2134 A 70 PRO HGx A 70 PRO HGy 1.0 0.0 4.20 2340 2135 A 70 PRO HBy A 70 PRO HGx 1.0 0.0 5.37 2341 2136 A 70 PRO HDy A 70 PRO HDx 1.0 0.0 4.46 2342 2137 A 70 PRO HDy A 70 PRO HBy 1.0 0.0 6.30 2343 2138 A 70 PRO HBx A 70 PRO HDy 1.0 0.0 6.30 2344 2139 A 70 PRO HBy A 70 PRO HDx 1.0 0.0 6.04 2345 2140 A 70 PRO HBx A 70 PRO HDx 1.0 0.0 4.91 2346 2141 A 69 PHE H A 69 PHE HA 1.0 0.0 5.37 2347 2142 A 69 PHE HA A 69 PHE HBx 1.0 0.0 6.30 2348 2143 A 69 PHE HA A 69 PHE HBy 1.0 0.0 6.30 2349 2144 A 69 PHE H A 69 PHE HBy 1.0 0.0 6.17 2350 2145 A 69 PHE H A 69 PHE HBx 1.0 0.0 5.97 2351 2146 A 66 GLU H A 66 GLU HA 1.0 0.0 6.12 2352 2147 A 66 GLU H A 66 GLU HGy 1.0 0.0 6.30 2353 2148 A 66 GLU H A 65 PRO HDy 1.0 0.0 6.28 2354 2149 A 64 ARG HBy A 64 ARG HD2 1.0 0.0 5.84 2355 2149 A 64 ARG HD3 A 64 ARG HBy 1.0 0.0 5.84 2356 2150 A 64 ARG HBx A 64 ARG HA 1.0 0.0 5.93 2357 2151 A 64 ARG HA A 64 ARG HGy 1.0 0.0 6.01 2358 2152 A 64 ARG HGy A 64 ARG HD2 1.0 0.0 5.26 2359 2152 A 64 ARG HD3 A 64 ARG HGy 1.0 0.0 5.26 2360 2153 A 62 THR HG2% A 64 ARG HGx 1.0 0.0 5.75 2361 2154 A 62 THR H A 62 THR HA 1.0 0.0 5.50 2362 2155 A 62 THR HA A 63 PRO HGy 1.0 0.0 5.64 2363 2156 A 50 LEU HA A 61 MET HE% 1.0 0.0 6.26 2364 2157 A 54 ARG HA A 59 ASP HA 1.0 0.0 5.33 2365 2158 A 59 ASP HBx A 59 ASP HA 1.0 0.0 5.57 2366 2159 A 54 ARG HBx A 59 ASP HA 1.0 0.0 5.52 2367 2160 A 58 ASN HBy A 58 ASN HA 1.0 0.0 6.03 2368 2161 A 56 ARG HA A 56 ARG HBy 1.0 0.0 5.42 2369 2162 A 55 ASP H A 55 ASP HA 1.0 0.0 5.35 2370 2163 A 55 ASP HA A 54 ARG HA 1.0 0.0 6.30 2371 2164 A 55 ASP HA A 54 ARG HGx 1.0 0.0 6.30 2372 2165 A 54 ARG HA A 54 ARG HGx 1.0 0.0 5.57 2373 2166 A 54 ARG HA A 59 ASP HA 1.0 0.0 6.21 2374 2167 A 51 LEU HA A 54 ARG HBy 1.0 0.0 6.30 2375 2168 A 50 LEU H A 51 LEU HG 1.0 0.0 6.01 2376 2169 A 49 PHE HD% A 50 LEU HA 1.0 0.0 5.88 2377 2170 A 47 GLU HA A 50 LEU HBy 1.0 0.0 6.05 2378 2171 A 50 LEU HBy A 50 LEU HG 1.0 0.0 5.02 2379 2172 A 50 LEU HD1% A 74 ALA H 1.0 0.0 5.92 2380 2173 A 50 LEU HD1% A 80 LEU HDy% 1.0 0.0 5.71 2381 2174 A 50 LEU HD2% A 46 THR HA 1.0 0.0 6.18 2382 2175 A 47 GLU H A 50 LEU HD2% 1.0 0.0 5.96 2383 2176 A 45 MET HBx A 50 LEU HD2% 1.0 0.0 4.70 2384 2177 A 45 MET HE% A 50 LEU HD2% 1.0 0.0 6.30 2385 2178 A 45 MET HGx A 50 LEU HD2% 1.0 0.0 5.59 2386 2179 A 49 PHE HA A 49 PHE HBy 1.0 0.0 5.60 2387 2180 A 49 PHE HA A 52 PHE HBx 1.0 0.0 4.96 2388 2181 A 49 PHE HBx A 49 PHE HA 1.0 0.0 5.30 2389 2182 A 49 PHE HA A 50 LEU HA 1.0 0.0 6.30 2390 2183 A 49 PHE H A 49 PHE HA 1.0 0.0 5.94 2391 2184 A 49 PHE HD% A 49 PHE HA 1.0 0.0 5.30 2392 2185 A 48 GLU HGy A 46 THR HB 1.0 0.0 6.26 2393 2186 A 48 GLU HGx A 46 THR HB 1.0 0.0 6.05 2394 2187 A 47 GLU HA A 50 LEU H 1.0 0.0 5.37 2395 2188 A 47 GLU HA A 46 THR HA 1.0 0.0 6.17 2396 2189 A 50 LEU HD2% A 47 GLU HB2 1.0 0.0 6.27 2397 2189 A 47 GLU HB3 A 50 LEU HD2% 1.0 0.0 6.27 2398 2190 A 46 THR HA A 47 GLU HB2 1.0 0.0 5.47 2399 2190 A 47 GLU HB3 A 46 THR HA 1.0 0.0 5.47 2400 2191 A 45 MET HBy A 46 THR HG2% 1.0 0.0 6.30 2401 2192 A 45 MET HA A 46 THR H 1.0 0.0 5.04 2402 2193 A 45 MET HA A 45 MET HE% 1.0 0.0 5.41 2403 2194 A 45 MET H A 45 MET HBy 1.0 0.0 5.65 2404 2195 A 45 MET HA A 45 MET HBy 1.0 0.0 6.26 2405 2196 A 45 MET HBy A 74 ALA HA 1.0 0.0 5.86 2406 2197 A 45 MET HBx A 75 GLY H 1.0 0.0 6.10 2407 2198 A 45 MET HBx A 46 THR H 1.0 0.0 5.89 2408 2199 A 45 MET HA A 45 MET HBx 1.0 0.0 5.90 2409 2200 A 45 MET HBx A 74 ALA HA 1.0 0.0 6.17 2410 2201 A 46 THR H A 45 MET HE% 1.0 0.0 6.17 2411 2202 A 44 GLU HA A 44 GLU HB2 1.0 0.0 5.66 2412 2202 A 44 GLU HB3 A 44 GLU HA 1.0 0.0 5.66 2413 2203 A 43 ALA HB% A 85 TRP HE1 1.0 0.0 5.73 2414 2204 A 45 MET H A 43 ALA HB% 1.0 0.0 6.21 2415 2205 A 42 CYS HA A 43 ALA HB% 1.0 0.0 5.80 2416 2206 A 43 ALA HB% A 80 LEU HBx 1.0 0.0 5.15 2417 2207 A 43 ALA HB% A 45 MET HGy 1.0 0.0 5.67 2418 2208 A 41 VAL HA A 102 THR HA 1.0 0.0 6.17 2419 2209 A 41 VAL HA A 41 VAL HB 1.0 0.0 6.30 2420 2210 A 82 ALA HA A 41 VAL HB 1.0 0.0 5.82 2421 2211 A 103 GLU H A 41 VAL HG2% 1.0 0.0 6.30 2422 2212 A 42 CYS HA A 41 VAL HG2% 1.0 0.0 6.30 2423 2213 A 41 VAL HG2% A 82 ALA HB% 1.0 0.0 6.25 2424 2214 A 41 VAL HG2% A 40 THR HA 1.0 0.0 5.74 2425 2215 A 41 VAL HA A 40 THR HG2% 1.0 0.0 5.72 2426 2216 A 32 ASP H A 40 THR HG2% 1.0 0.0 6.30 2427 2217 A 38 SER HA A 38 SER HBx 1.0 0.0 5.33 2428 2218 A 36 ARG HA A 36 ARG HGx 1.0 0.0 4.71 2429 2219 A 36 ARG HA A 36 ARG HGy 1.0 0.0 5.10 2430 2220 A 36 ARG HA A 36 ARG HD2 1.0 0.0 5.86 2431 2220 A 36 ARG HA A 36 ARG HD3 1.0 0.0 5.86 2432 2221 A 37 GLY H A 36 ARG HBx 1.0 0.0 6.24 2433 2222 A 36 ARG H A 36 ARG HD2 1.0 0.0 6.30 2434 2222 A 36 ARG H A 36 ARG HD3 1.0 0.0 6.30 2435 2223 A 36 ARG HBy A 36 ARG HD2 1.0 0.0 4.23 2436 2223 A 36 ARG HD3 A 36 ARG HBy 1.0 0.0 4.23 2437 2224 A 34 GLN HA A 33 VAL HG1% 1.0 0.0 6.30 2438 2224 A 33 VAL HG2% A 34 GLN HA 1.0 0.0 6.30 2439 2225 A 35 ASP H A 34 GLN HGy 1.0 0.0 6.30 2440 2226 A 35 ASP H A 34 GLN HGx 1.0 0.0 6.30 2441 2227 A 33 VAL HA A 32 ASP HA 1.0 0.0 6.30 2442 2228 A 34 GLN HA A 33 VAL HG1% 1.0 0.0 5.76 2443 2228 A 33 VAL HG2% A 34 GLN HA 1.0 0.0 5.76 2444 2229 A 32 ASP HBx A 32 ASP HA 1.0 0.0 5.62 2445 2230 A 32 ASP H A 31 THR HB 1.0 0.0 5.99 2446 2231 A 31 THR HG2% A 30 GLN HA 1.0 0.0 6.16 2447 2232 A 31 THR HG2% A 29 CYS HBy 1.0 0.0 6.30 2448 2233 A 31 THR HA A 31 THR HG2% 1.0 0.0 6.30 2449 2234 A 30 GLN HA A 30 GLN HB2 1.0 0.0 5.23 2450 2234 A 30 GLN HA A 30 GLN HB3 1.0 0.0 5.23 2451 2235 A 30 GLN HA A 30 GLN HGy 1.0 0.0 5.49 2452 2236 A 30 GLN HA A 30 GLN HGx 1.0 0.0 6.13 2453 2237 A 29 CYS H A 29 CYS HA 1.0 0.0 5.81 2454 2238 A 29 CYS HA A 29 CYS HBy 1.0 0.0 5.80 2455 2239 A 29 CYS H A 29 CYS HBy 1.0 0.0 5.95 2456 2240 A 31 THR H A 29 CYS HBy 1.0 0.0 6.30 2457 2241 A 29 CYS HBx A 31 THR H 1.0 0.0 6.30 2458 2242 A 15 CYS HA A 28 PHE HBy 1.0 0.0 6.30 2459 2243 A 28 PHE HA A 28 PHE HBy 1.0 0.0 6.30 2460 2244 A 28 PHE HA A 28 PHE HBx 1.0 0.0 5.89 2461 2245 A 25 ARG H A 25 ARG HA 1.0 0.0 4.90 2462 2246 A 26 ASN H A 25 ARG HA 1.0 0.0 6.30 2463 2247 A 22 GLY HAx A 22 GLY HAy 1.0 0.0 4.06 2464 2248 A 22 GLY H A 22 GLY HAx 1.0 0.0 5.65 2465 2249 A 15 CYS HA A 21 THR HG2% 1.0 0.0 6.30 2466 2250 A 19 PRO HA A 19 PRO HGx 1.0 0.0 4.92 2467 2251 A 19 PRO HA A 19 PRO HBy 1.0 0.0 4.48 2468 2252 A 18 ALA HB% A 19 PRO HBx 1.0 0.0 5.87 2469 2253 A 18 ALA HA A 19 PRO HDy 1.0 0.0 6.30 2470 2254 A 17 CYS H A 17 CYS HA 1.0 0.0 6.00 2471 2255 A 18 ALA H A 17 CYS HA 1.0 0.0 5.49 2472 2256 A 17 CYS HBx A 17 CYS HA 1.0 0.0 5.75 2473 2257 A 18 ALA H A 17 CYS HBy 1.0 0.0 6.30 2474 2258 A 16 CYS HA A 17 CYS HBx 1.0 0.0 6.30 2475 2259 A 18 ALA H A 17 CYS HBx 1.0 0.0 6.30 2476 2260 A 15 CYS HA A 15 CYS HBy 1.0 0.0 6.30 2477 2261 A 15 CYS HBy A 21 THR HG2% 1.0 0.0 6.09 2478 2262 A 15 CYS HA A 15 CYS HBx 1.0 0.0 6.13 2479 2263 A 15 CYS HBx A 21 THR HG2% 1.0 0.0 5.45 2480 2264 A 16 CYS H A 15 CYS HBx 1.0 0.0 5.45 2481 2265 A 15 CYS H A 15 CYS HBx 1.0 0.0 5.73 2482 2266 A 15 CYS HBy A 15 CYS HBx 1.0 0.0 4.56 2483 2267 A 14 VAL HA A 16 CYS H 1.0 0.0 6.14 2484 2268 A 14 VAL HA A 28 PHE HD% 1.0 0.0 6.22 2485 2269 A 14 VAL HB A 15 CYS H 1.0 0.0 5.46 2486 2270 A 14 VAL HGx% A 15 CYS HA 1.0 0.0 6.30 2487 2271 A 14 VAL HGx% A 27 GLY HAx 1.0 0.0 5.90 2488 2272 A 14 VAL HGy% A 29 CYS H 1.0 0.0 6.29 2489 2273 A 14 VAL HGy% A 15 CYS HA 1.0 0.0 6.30 2490 2274 A 14 VAL HGy% A 15 CYS HBy 1.0 0.0 6.30 2491 2275 A 13 GLU H A 13 GLU HB2 1.0 0.0 5.61 2492 2275 A 13 GLU H A 13 GLU HB3 1.0 0.0 5.61 2493 2276 A 14 VAL H A 13 GLU HB2 1.0 0.0 5.53 2494 2276 A 14 VAL H A 13 GLU HB3 1.0 0.0 5.53 2495 2277 A 13 GLU HA A 13 GLU HB2 1.0 0.0 5.07 2496 2277 A 13 GLU HA A 13 GLU HB3 1.0 0.0 5.07 2497 2278 A 13 GLU HGy A 14 VAL H 1.0 0.0 6.15 2498 2279 A 14 VAL H A 13 GLU HGx 1.0 0.0 6.10 2499 2280 A 12 LEU HA A 13 GLU H 1.0 0.0 5.71 2500 2281 A 12 LEU H A 12 LEU HA 1.0 0.0 6.04 2501 2282 A 12 LEU HA A 12 LEU HBy 1.0 0.0 6.30 2502 2283 A 12 LEU HA A 12 LEU HBx 1.0 0.0 6.17 2503 2284 A 12 LEU HBx A 13 GLU H 1.0 0.0 6.16 2504 2285 A 11 ASP HA A 11 ASP HB2 1.0 0.0 4.68 2505 2285 A 11 ASP HB3 A 11 ASP HA 1.0 0.0 4.68 2506 2286 A 10 GLN HA A 10 GLN HBy 1.0 0.0 5.37 2507 2287 A 10 GLN HA A 10 GLN HGy 1.0 0.0 4.60 2508 2288 A 10 GLN HA A 10 GLN HGx 1.0 0.0 4.78 2509 2289 A 9 GLY HAy A 10 GLN HA 1.0 0.0 5.89 2510 2290 A 9 GLY HAy A 10 GLN HBx 1.0 0.0 5.85 2511 2291 A 9 GLY HAx A 10 GLN HBx 1.0 0.0 6.06 2512 2292 A 9 GLY HAx A 10 GLN HGx 1.0 0.0 6.08 2513 2293 A 8 LEU HA A 9 GLY HAx 1.0 0.0 5.95 2514 2294 A 7 VAL HA A 8 LEU HA 1.0 0.0 5.96 2515 2295 A 8 LEU H A 8 LEU HA 1.0 0.0 5.47 2516 2296 A 9 GLY H A 8 LEU HA 1.0 0.0 5.40 2517 2297 A 7 VAL H A 8 LEU HBy 1.0 0.0 6.22 2518 2298 A 7 VAL H A 7 VAL HB 1.0 0.0 6.30 2519 2299 A 6 ASN HA A 7 VAL HG2% 1.0 0.0 5.64 2520 2300 A 9 GLY H A 7 VAL HG1% 1.0 0.0 6.30 2521 2301 A 6 ASN HA A 7 VAL HG1% 1.0 0.0 6.06 2522 2302 A 7 VAL HG1% A 8 LEU HA 1.0 0.0 5.92 2523 2303 A 7 VAL HG1% A 8 LEU HBy 1.0 0.0 5.97 2524 2304 A 6 ASN H A 6 ASN HA 1.0 0.0 5.93 2525 2305 A 5 GLN HA A 6 ASN HA 1.0 0.0 6.27 2526 2306 A 6 ASN HA A 7 VAL HA 1.0 0.0 6.30 2527 2307 A 6 ASN H A 6 ASN HBy 1.0 0.0 6.05 2528 2308 A 5 GLN HGx A 5 GLN HA 1.0 0.0 5.00 2529 2309 A 5 GLN HA A 5 GLN HBx 1.0 0.0 5.00 2530 2310 A 5 GLN H A 5 GLN HGy 1.0 0.0 6.09 2531 2311 A 5 GLN HGx A 5 GLN H 1.0 0.0 6.05 2532 2312 A 45 MET HBy A 50 LEU HD2% 1.0 0.0 5.40 2533 2313 A 45 MET HBy A 50 LEU HBx 1.0 0.0 5.62 2534 2314 A 45 MET HGx A 45 MET HBy 1.0 0.0 5.11 2535 2315 A 45 MET HBx A 50 LEU HD2% 1.0 0.0 5.67 2536 2316 A 45 MET HGx A 45 MET HBx 1.0 0.0 5.38 2537 2317 A 80 LEU HG A 45 MET HGy 1.0 0.0 6.30 2538 2318 A 45 MET HGy A 84 ARG HB2 1.0 0.0 6.30 2539 2318 A 84 ARG HB3 A 45 MET HGy 1.0 0.0 6.30 2540 2319 A 45 MET HBy A 45 MET HGy 1.0 0.0 5.57 2541 2320 A 45 MET HGx A 45 MET HA 1.0 0.0 6.30 2542 2321 A 45 MET HE% A 50 LEU HD2% 1.0 0.0 6.16 2543 2322 A 45 MET HBx A 45 MET HE% 1.0 0.0 5.65 2544 2323 A 97 VAL HG1% A 85 TRP HA 1.0 0.0 6.30 2545 2324 A 85 TRP HA A 80 LEU HDx% 1.0 0.0 6.30 2546 2325 A 85 TRP HA A 88 ALA HB% 1.0 0.0 6.30 2547 2326 A 86 GLN HBy A 88 ALA H 1.0 0.0 6.30 2548 2327 A 86 GLN HBy A 86 GLN HGx 1.0 0.0 4.38 2549 2328 A 86 GLN HGx A 86 GLN HBx 1.0 0.0 6.30 2550 2329 A 86 GLN H A 86 GLN HGy 1.0 0.0 6.12 2551 2330 A 86 GLN HGy A 110 VAL HG2% 1.0 0.0 6.05 2552 2331 A 86 GLN HGy A 86 GLN HA 1.0 0.0 6.30 2553 2332 A 86 GLN HGy A 83 SER HA 1.0 0.0 6.30 2554 2333 A 86 GLN H A 86 GLN HGx 1.0 0.0 6.30 2555 2334 A 23 TRP HZ2 A 23 TRP HE1 1.0 0.0 4.35 2556 2335 A 24 TYR HD% A 24 TYR HE% 1.0 0.0 2.89 2557 2336 A 24 TYR HD% A 24 TYR HE% 1.0 0.0 3.91 2558 2337 A 24 TYR HD% A 24 TYR HA 1.0 0.0 4.51 2559 2338 A 28 PHE H A 28 PHE HD% 1.0 0.0 4.65 2560 2339 A 28 PHE HD% A 28 PHE HBy 1.0 0.0 4.48 2561 2340 A 28 PHE HBx A 28 PHE HD% 1.0 0.0 4.53 2562 2341 A 49 PHE HBx A 49 PHE HD% 1.0 0.0 4.86 2563 2342 A 52 PHE HBy A 52 PHE HD% 1.0 0.0 4.26 2564 2343 A 52 PHE HD% A 93 MET HGy 1.0 0.0 4.76 2565 2344 A 78 TRP HE1 A 78 TRP HZ2 1.0 0.0 4.58 2566 2345 A 78 TRP HD1 A 78 TRP HE1 1.0 0.0 3.99 2567 2346 A 78 TRP HD1 A 78 TRP HBx 1.0 0.0 4.53 2568 2347 A 85 TRP HZ2 A 85 TRP HE1 1.0 0.0 4.29 2569 2348 A 85 TRP HZ2 A 85 TRP HH2 1.0 0.0 3.83 2570 2349 A 85 TRP HZ2 A 115 LEU HA 1.0 0.0 4.85 2571 2350 A 85 TRP HZ2 A 97 VAL HG1% 1.0 0.0 4.19 2572 2351 A 94 ALA HB% A 85 TRP HZ2 1.0 0.0 4.25 2573 2352 A 85 TRP HE1 A 85 TRP HD1 1.0 0.0 3.85 2574 2353 A 82 ALA HB% A 85 TRP HD1 1.0 0.0 4.08 2575 2354 A 43 ALA HB% A 85 TRP HD1 1.0 0.0 4.24 2576 2355 A 85 TRP HD1 A 80 LEU HDx% 1.0 0.0 3.96 2577 2356 A 85 TRP HZ2 A 85 TRP HH2 1.0 0.0 3.85 2578 2357 A 115 LEU HA A 85 TRP HH2 1.0 0.0 4.63 2579 2358 A 89 PHE HD% A 89 PHE HE% 1.0 0.0 3.49 2580 2359 A 89 PHE HD% A 89 PHE H 1.0 0.0 4.56 2581 2360 A 89 PHE HD% A 89 PHE HE% 1.0 0.0 3.37 2582 2361 A 89 PHE HD% A 89 PHE HA 1.0 0.0 4.58 2583 2362 A 90 GLU HGy A 89 PHE HD% 1.0 0.0 4.21 2584 2363 A 90 GLU HGx A 89 PHE HD% 1.0 0.0 4.89 2585 2364 A 94 ALA HB% A 89 PHE HD% 1.0 0.0 4.29 2586 2365 A 108 ARG HDx A 109 TYR HE% 1.0 0.0 4.51 2587 2366 A 109 TYR HBx A 109 TYR HE% 1.0 0.0 4.88 2588 2367 A 108 ARG HBy A 109 TYR HE% 1.0 0.0 3.98 2589 2368 A 108 ARG HBx A 109 TYR HE% 1.0 0.0 4.35 2590 2369 A 109 TYR H A 109 TYR HD% 1.0 0.0 4.45 2591 2370 A 109 TYR HD% A 109 TYR HE% 1.0 0.0 3.59 2592 2371 A 109 TYR HD% A 109 TYR HA 1.0 0.0 3.72 2593 2372 A 109 TYR HD% A 106 ALA HA 1.0 0.0 4.61 2594 2373 A 109 TYR HD% A 108 ARG HA 1.0 0.0 4.69 2595 2374 A 109 TYR HD% A 109 TYR HBy 1.0 0.0 4.44 2596 2375 A 109 TYR HD% A 109 TYR HBx 1.0 0.0 3.66 2597 2376 A 109 TYR HD% A 108 ARG HBy 1.0 0.0 4.20 2598 2377 A 46 THR H A 49 PHE HD% 1.0 0.0 5.53 2599 2378 A 52 PHE HD% A 88 ALA HB% 1.0 0.0 4.79 2600 2379 A 86 GLN HE2x A 89 PHE HD% 1.0 0.0 4.51 2601 2380 A 108 ARG H A 109 TYR HD% 1.0 0.0 5.16 2602 2381 A 85 TRP HD1 A 97 VAL HG1% 1.0 0.0 5.10 2603 2382 A 85 TRP HD1 A 110 VAL HG2% 1.0 0.0 4.50 2604 2383 A 85 TRP HZ2 A 118 HIS H 1.0 0.0 5.08 2605 2384 A 115 LEU HD1% A 85 TRP HZ2 1.0 0.0 6.30 2606 2385 A 94 ALA HB% A 85 TRP HH2 1.0 0.0 6.30 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 3 GLN C A 4 GLY N A 4 GLY CA A 4 GLY C 1.0 -162.1 -48.3 PHI 2 2 A 4 GLY N A 4 GLY CA A 4 GLY C A 5 GLN N 1.0 109.8 218.6 PSI 3 3 A 4 GLY C A 5 GLN N A 5 GLN CA A 5 GLN C 1.0 -159.6 -91.6 PHI 4 4 A 5 GLN N A 5 GLN CA A 5 GLN C A 6 ASN N 1.0 118.9 169.3 PSI 5 5 A 5 GLN C A 6 ASN N A 6 ASN CA A 6 ASN C 1.0 -228.1 17.7 PHI 6 6 A 6 ASN N A 6 ASN CA A 6 ASN C A 7 VAL N 1.0 99.5 204.3 PSI 7 7 A 39 HIS C A 40 THR N A 40 THR CA A 40 THR C 1.0 -141.0 -97.0 PHI 8 8 A 40 THR N A 40 THR CA A 40 THR C A 41 VAL N 1.0 103.7 161.9 PSI 9 9 A 40 THR C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -141.0 -89.6 PHI 10 10 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 CYS N 1.0 101.2 143.4 PSI 11 11 A 41 VAL C A 42 CYS N A 42 CYS CA A 42 CYS C 1.0 -137.3 -96.5 PHI 12 12 A 42 CYS N A 42 CYS CA A 42 CYS C A 43 ALA N 1.0 111.6 151.6 PSI 13 13 A 42 CYS C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -141.1 -101.3 PHI 14 14 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 GLU N 1.0 119.3 149.7 PSI 15 15 A 43 ALA C A 44 GLU N A 44 GLU CA A 44 GLU C 1.0 -169.4 -80.2 PHI 16 16 A 44 GLU N A 44 GLU CA A 44 GLU C A 45 MET N 1.0 109.5 186.7 PSI 17 17 A 45 MET C A 46 THR N A 46 THR CA A 46 THR C 1.0 -177.6 -84.8 PHI 18 18 A 46 THR N A 46 THR CA A 46 THR C A 47 GLU N 1.0 125.6 184.8 PSI 19 19 A 46 THR C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -69.2 -49.2 PHI 20 20 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 GLU N 1.0 -52.9 -32.9 PSI 21 21 A 47 GLU C A 48 GLU N A 48 GLU CA A 48 GLU C 1.0 -75.6 -50.4 PHI 22 22 A 48 GLU N A 48 GLU CA A 48 GLU C A 49 PHE N 1.0 -58.2 -25.4 PSI 23 23 A 48 GLU C A 49 PHE N A 49 PHE CA A 49 PHE C 1.0 -75.8 -55.8 PHI 24 24 A 49 PHE N A 49 PHE CA A 49 PHE C A 50 LEU N 1.0 -55.0 -31.4 PSI 25 25 A 49 PHE C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -81.0 -53.0 PHI 26 26 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 LEU N 1.0 -52.5 -27.1 PSI 27 27 A 50 LEU C A 51 LEU N A 51 LEU CA A 51 LEU C 1.0 -75.5 -51.3 PHI 28 28 A 51 LEU N A 51 LEU CA A 51 LEU C A 52 PHE N 1.0 -52.4 -32.4 PSI 29 29 A 51 LEU C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -73.0 -53.0 PHI 30 30 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 SER N 1.0 -51.8 -31.8 PSI 31 31 A 52 PHE C A 53 SER N A 53 SER CA A 53 SER C 1.0 -74.5 -54.5 PHI 32 32 A 53 SER N A 53 SER CA A 53 SER C A 54 ARG N 1.0 -51.6 -31.6 PSI 33 33 A 53 SER C A 54 ARG N A 54 ARG CA A 54 ARG C 1.0 -76.6 -51.6 PHI 34 34 A 54 ARG N A 54 ARG CA A 54 ARG C A 55 ASP N 1.0 -57.3 -22.1 PSI 35 35 A 54 ARG C A 55 ASP N A 55 ASP CA A 55 ASP C 1.0 -102.2 -64.8 PHI 36 36 A 55 ASP N A 55 ASP CA A 55 ASP C A 56 ARG N 1.0 -32.2 25.0 PSI 37 37 A 76 ASP C A 77 ARG N A 77 ARG CA A 77 ARG C 1.0 -184.8 -58.0 PHI 38 38 A 77 ARG N A 77 ARG CA A 77 ARG C A 78 TRP N 1.0 93.2 205.4 PSI 39 39 A 77 ARG C A 78 TRP N A 78 TRP CA A 78 TRP C 1.0 -210.6 -69.0 PHI 40 40 A 78 TRP N A 78 TRP CA A 78 TRP C A 79 CYS N 1.0 121.4 192.6 PSI 41 41 A 81 CYS C A 82 ALA N A 82 ALA CA A 82 ALA C 1.0 -70.2 -44.0 PHI 42 42 A 82 ALA N A 82 ALA CA A 82 ALA C A 83 SER N 1.0 -63.2 -26.8 PSI 43 43 A 82 ALA C A 83 SER N A 83 SER CA A 83 SER C 1.0 -72.1 -50.9 PHI 44 44 A 83 SER N A 83 SER CA A 83 SER C A 84 ARG N 1.0 -52.7 -30.3 PSI 45 45 A 83 SER C A 84 ARG N A 84 ARG CA A 84 ARG C 1.0 -73.5 -53.5 PHI 46 46 A 84 ARG N A 84 ARG CA A 84 ARG C A 85 TRP N 1.0 -52.9 -32.5 PSI 47 47 A 84 ARG C A 85 TRP N A 85 TRP CA A 85 TRP C 1.0 -74.6 -54.6 PHI 48 48 A 85 TRP N A 85 TRP CA A 85 TRP C A 86 GLN N 1.0 -53.3 -29.7 PSI 49 49 A 85 TRP C A 86 GLN N A 86 GLN CA A 86 GLN C 1.0 -70.4 -50.4 PHI 50 50 A 86 GLN N A 86 GLN CA A 86 GLN C A 87 GLU N 1.0 -55.2 -35.2 PSI 51 51 A 86 GLN C A 87 GLU N A 87 GLU CA A 87 GLU C 1.0 -81.2 -51.6 PHI 52 52 A 87 GLU N A 87 GLU CA A 87 GLU C A 88 ALA N 1.0 -55.1 -26.5 PSI 53 53 A 87 GLU C A 88 ALA N A 88 ALA CA A 88 ALA C 1.0 -74.9 -54.9 PHI 54 54 A 88 ALA N A 88 ALA CA A 88 ALA C A 89 PHE N 1.0 -50.6 -20.4 PSI 55 55 A 88 ALA C A 89 PHE N A 89 PHE CA A 89 PHE C 1.0 -79.5 -51.5 PHI 56 56 A 89 PHE N A 89 PHE CA A 89 PHE C A 90 GLU N 1.0 -55.6 -27.8 PSI 57 57 A 89 PHE C A 90 GLU N A 90 GLU CA A 90 GLU C 1.0 -76.1 -50.5 PHI 58 58 A 90 GLU N A 90 GLU CA A 90 GLU C A 91 ALA N 1.0 -53.0 -1.6 PSI 59 59 A 90 GLU C A 91 ALA N A 91 ALA CA A 91 ALA C 1.0 -119.0 -63.4 PHI 60 60 A 91 ALA N A 91 ALA CA A 91 ALA C A 92 GLY N 1.0 -24.7 17.3 PSI 61 61 A 96 PRO C A 97 VAL N A 97 VAL CA A 97 VAL C 1.0 -157.8 -97.4 PHI 62 62 A 97 VAL N A 97 VAL CA A 97 VAL C A 98 VAL N 1.0 127.3 174.9 PSI 63 63 A 97 VAL C A 98 VAL N A 98 VAL CA A 98 VAL C 1.0 -120.5 -51.3 PHI 64 64 A 98 VAL N A 98 VAL CA A 98 VAL C A 99 LEU N 1.0 76.3 165.5 PSI 65 65 A 103 GLU C A 104 LYS N A 104 LYS CA A 104 LYS C 1.0 -76.9 -47.3 PHI 66 66 A 104 LYS N A 104 LYS CA A 104 LYS C A 105 SER N 1.0 -58.6 -17.4 PSI 67 67 A 104 LYS C A 105 SER N A 105 SER CA A 105 SER C 1.0 -78.6 -58.2 PHI 68 68 A 105 SER N A 105 SER CA A 105 SER C A 106 ALA N 1.0 -53.4 -28.0 PSI 69 69 A 105 SER C A 106 ALA N A 106 ALA CA A 106 ALA C 1.0 -87.6 -50.2 PHI 70 70 A 106 ALA N A 106 ALA CA A 106 ALA C A 107 LEU N 1.0 -66.1 -15.9 PSI 71 71 A 106 ALA C A 107 LEU N A 107 LEU CA A 107 LEU C 1.0 -113.2 -38.2 PHI 72 72 A 107 LEU N A 107 LEU CA A 107 LEU C A 108 ARG N 1.0 -49.4 4.2 PSI 73 73 A 111 SER C A 112 LEU N A 112 LEU CA A 112 LEU C 1.0 -72.2 -46.0 PHI 74 74 A 112 LEU N A 112 LEU CA A 112 LEU C A 113 ALA N 1.0 -60.1 -17.1 PSI 75 75 A 112 LEU C A 113 ALA N A 113 ALA CA A 113 ALA C 1.0 -71.1 -49.1 PHI 76 76 A 113 ALA N A 113 ALA CA A 113 ALA C A 114 ASP N 1.0 -51.3 -31.3 PSI 77 77 A 113 ALA C A 114 ASP N A 114 ASP CA A 114 ASP C 1.0 -76.1 -53.1 PHI 78 78 A 114 ASP N A 114 ASP CA A 114 ASP C A 115 LEU N 1.0 -53.8 -31.8 PSI 79 79 A 114 ASP C A 115 LEU N A 115 LEU CA A 115 LEU C 1.0 -73.5 -53.5 PHI 80 80 A 115 LEU N A 115 LEU CA A 115 LEU C A 116 GLN N 1.0 -54.9 -34.9 PSI 81 81 A 115 LEU C A 116 GLN N A 116 GLN CA A 116 GLN C 1.0 -73.8 -49.4 PHI 82 82 A 116 GLN N A 116 GLN CA A 116 GLN C A 117 ALA N 1.0 -60.3 -24.9 PSI 83 83 A 116 GLN C A 117 ALA N A 117 ALA CA A 117 ALA C 1.0 -88.1 -49.5 PHI 84 84 A 117 ALA N A 117 ALA CA A 117 ALA C A 118 HIS N 1.0 -56.3 14.1 PSI stop_ save_