data_nef_c25907_2n9i save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 25908 PDB 2N9I stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 18 HIS NE2 2 1 HEC FE 1 80 MET SD 2 1 HEC FE 1 14 CYS SG 2 1 HEC CAB 1 17 CYS SG 2 1 HEC CAC stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 ASP middle . . 3 A 3 VAL middle . . 4 A 4 GLU middle . . 5 A 5 LYS middle . . 6 A 6 GLY middle . false 7 A 7 LYS middle . . 8 A 8 LYS middle . . 9 A 9 ILE middle . . 10 A 10 PHE middle . . 11 A 11 ILE middle . . 12 A 12 MET middle . . 13 A 13 LYS middle . . 14 A 14 CYS middle -HG . 15 A 15 SER middle . . 16 A 16 GLN middle . . 17 A 17 CYS middle -HG . 18 A 18 HIS middle -HE2 . 19 A 19 THR middle . . 20 A 20 VAL middle . . 21 A 21 GLU middle . . 22 A 22 LYS middle . . 23 A 23 GLY middle . false 24 A 24 GLY middle . false 25 A 25 LYS middle . . 26 A 26 HIS middle . . 27 A 27 LYS middle . . 28 A 28 THR middle . . 29 A 29 GLY middle . false 30 A 30 PRO middle . false 31 A 31 ASN middle . . 32 A 32 LEU middle . . 33 A 33 HIS middle . . 34 A 34 GLY middle . false 35 A 35 LEU middle . . 36 A 36 PHE middle . . 37 A 37 GLY middle . false 38 A 38 ARG middle . . 39 A 39 LYS middle . . 40 A 40 THR middle . . 41 A 41 GLY middle . false 42 A 42 GLN middle . . 43 A 43 ALA middle . . 44 A 44 PRO middle . false 45 A 45 GLY middle . false 46 A 46 TYR middle . . 47 A 47 SER middle . . 48 A 48 TYR middle . . 49 A 49 THR middle . . 50 A 50 ALA middle . . 51 A 51 ALA middle . . 52 A 52 ASN middle . . 53 A 53 LYS middle . . 54 A 54 ASN middle . . 55 A 55 LYS middle . . 56 A 56 GLY middle . false 57 A 57 ILE middle . . 58 A 58 ILE middle . . 59 A 59 TRP middle . . 60 A 60 GLY middle . false 61 A 61 GLU middle . . 62 A 62 ASP middle . . 63 A 63 THR middle . . 64 A 64 LEU middle . . 65 A 65 MET middle . . 66 A 66 GLU middle . . 67 A 67 TYR middle . . 68 A 68 LEU middle . . 69 A 69 GLU middle . . 70 A 70 ASN middle . . 71 A 71 PRO middle . false 72 A 72 LYS middle . . 73 A 73 LYS middle . . 74 A 74 TYR middle . . 75 A 75 ILE middle . . 76 A 76 PRO middle . false 77 A 77 GLY middle . false 78 A 78 THR middle . . 79 A 79 LYS middle . . 80 A 80 MET middle . . 81 A 81 ILE middle . . 82 A 82 PHE middle . . 83 A 83 VAL middle . . 84 A 84 GLY middle . false 85 A 85 ILE middle . . 86 A 86 LYS middle . . 87 A 87 LYS middle . . 88 A 88 LYS middle . . 89 A 89 GLU middle . . 90 A 90 GLU middle . . 91 A 91 ARG middle . . 92 A 92 ALA middle . . 93 A 93 ASP middle . . 94 A 94 LEU middle . . 95 A 95 ILE middle . . 96 A 96 ALA middle . . 97 A 97 TYR middle . . 98 A 98 LEU middle . . 99 A 99 LYS middle . . 100 A 100 LYS middle . . 101 A 101 ALA middle . . 102 A 102 THR middle . . 103 A 103 ASN middle . . 104 A 104 GLU end . . 105 B 1 HEC . . . 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 1 GLY HAx H 1 3.442 0.01 A 1 GLY HAy H 1 3.851 0.01 A 1 GLY C C 13 169.050 0.1 A 1 GLY CA C 13 43.217 0.1 A 2 ASP H H 1 9.610 0.01 A 2 ASP HA H 1 4.870 0.01 A 2 ASP HBx H 1 2.482 0.01 A 2 ASP HBy H 1 2.851 0.01 A 2 ASP C C 13 175.978 0.1 A 2 ASP CA C 13 53.136 0.1 A 2 ASP CB C 13 42.711 0.1 A 2 ASP N N 15 124.809 0.1 A 3 VAL H H 1 8.637 0.01 A 3 VAL HA H 1 3.671 0.01 A 3 VAL HB H 1 2.205 0.01 A 3 VAL HGx% H 1 1.088 0.01 A 3 VAL HGy% H 1 1.065 0.01 A 3 VAL C C 13 177.528 0.1 A 3 VAL CA C 13 66.264 0.1 A 3 VAL CB C 13 32.304 0.1 A 3 VAL CGy C 13 22.112 0.1 A 3 VAL CGx C 13 21.883 0.1 A 3 VAL N N 15 123.691 0.1 A 4 GLU H H 1 8.173 0.01 A 4 GLU HA H 1 4.119 0.01 A 4 GLU HBx H 1 2.114 0.01 A 4 GLU HBy H 1 2.159 0.01 A 4 GLU HGx H 1 2.360 0.01 A 4 GLU HGy H 1 2.360 0.01 A 4 GLU C C 13 180.254 0.1 A 4 GLU CA C 13 59.278 0.1 A 4 GLU CB C 13 28.855 0.1 A 4 GLU CG C 13 36.312 0.1 A 4 GLU N N 15 120.613 0.1 A 5 LYS H H 1 8.164 0.01 A 5 LYS HA H 1 4.013 0.01 A 5 LYS HBx H 1 1.827 0.01 A 5 LYS HBy H 1 1.827 0.01 A 5 LYS HDx H 1 1.692 0.01 A 5 LYS HDy H 1 1.692 0.01 A 5 LYS HEx H 1 3.001 0.01 A 5 LYS HEy H 1 3.001 0.01 A 5 LYS HGx H 1 1.418 0.01 A 5 LYS HGy H 1 1.561 0.01 A 5 LYS C C 13 180.647 0.1 A 5 LYS CA C 13 59.884 0.1 A 5 LYS CB C 13 32.805 0.1 A 5 LYS CD C 13 29.362 0.1 A 5 LYS CE C 13 42.182 0.1 A 5 LYS CG C 13 26.288 0.1 A 5 LYS N N 15 121.272 0.1 A 6 GLY H H 1 8.812 0.01 A 6 GLY HAx H 1 3.583 0.01 A 6 GLY HAy H 1 4.201 0.01 A 6 GLY C C 13 174.333 0.1 A 6 GLY CA C 13 46.938 0.1 A 6 GLY N N 15 107.286 0.1 A 7 LYS H H 1 8.097 0.01 A 7 LYS HA H 1 2.281 0.01 A 7 LYS HBx H 1 1.425 0.01 A 7 LYS HBy H 1 1.774 0.01 A 7 LYS HDx H 1 1.634 0.01 A 7 LYS HDy H 1 1.634 0.01 A 7 LYS HEx H 1 2.900 0.01 A 7 LYS HEy H 1 2.900 0.01 A 7 LYS HGx H 1 0.834 0.01 A 7 LYS HGy H 1 1.094 0.01 A 7 LYS C C 13 177.706 0.1 A 7 LYS CA C 13 59.382 0.1 A 7 LYS CB C 13 32.430 0.1 A 7 LYS CD C 13 29.622 0.1 A 7 LYS CE C 13 42.123 0.1 A 7 LYS CG C 13 24.392 0.1 A 7 LYS N N 15 124.180 0.1 A 8 LYS H H 1 7.032 0.01 A 8 LYS HA H 1 3.922 0.01 A 8 LYS HBx H 1 1.969 0.01 A 8 LYS HBy H 1 1.969 0.01 A 8 LYS HDx H 1 1.717 0.01 A 8 LYS HDy H 1 1.717 0.01 A 8 LYS HEx H 1 3.001 0.01 A 8 LYS HEy H 1 3.001 0.01 A 8 LYS HGx H 1 1.451 0.01 A 8 LYS HGy H 1 1.631 0.01 A 8 LYS C C 13 179.430 0.1 A 8 LYS CA C 13 59.831 0.1 A 8 LYS CB C 13 32.139 0.1 A 8 LYS CD C 13 29.372 0.1 A 8 LYS CE C 13 42.124 0.1 A 8 LYS CG C 13 25.532 0.1 A 8 LYS N N 15 117.085 0.1 A 9 ILE H H 1 7.806 0.01 A 9 ILE HA H 1 3.824 0.01 A 9 ILE HB H 1 2.110 0.01 A 9 ILE HD1% H 1 1.107 0.01 A 9 ILE HG1x H 1 1.272 0.01 A 9 ILE HG1y H 1 1.914 0.01 A 9 ILE HG2% H 1 1.168 0.01 A 9 ILE C C 13 177.306 0.1 A 9 ILE CA C 13 65.346 0.1 A 9 ILE CB C 13 37.898 0.1 A 9 ILE CD1 C 13 14.546 0.1 A 9 ILE CG1 C 13 28.415 0.1 A 9 ILE CG2 C 13 18.941 0.1 A 9 ILE N N 15 119.415 0.1 A 10 PHE H H 1 8.749 0.01 A 10 PHE HA H 1 4.061 0.01 A 10 PHE HBx H 1 3.018 0.01 A 10 PHE HBy H 1 3.137 0.01 A 10 PHE HDx H 1 6.976 0.01 A 10 PHE HDy H 1 6.976 0.01 A 10 PHE HEy H 1 7.069 0.01 A 10 PHE HEx H 1 6.132 0.01 A 10 PHE HZ H 1 6.236 0.01 A 10 PHE C C 13 179.053 0.1 A 10 PHE CA C 13 62.542 0.1 A 10 PHE CB C 13 39.701 0.1 A 10 PHE CDx C 13 132.969 0.1 A 10 PHE CEy C 13 131.133 0.1 A 10 PHE CEx C 13 130.467 0.1 A 10 PHE CZ C 13 129.965 0.1 A 10 PHE N N 15 121.140 0.1 A 11 ILE H H 1 8.933 0.01 A 11 ILE HA H 1 3.420 0.01 A 11 ILE HB H 1 1.979 0.01 A 11 ILE HD1% H 1 0.854 0.01 A 11 ILE HG1x H 1 1.311 0.01 A 11 ILE HG1y H 1 1.870 0.01 A 11 ILE HG2% H 1 0.904 0.01 A 11 ILE C C 13 179.117 0.1 A 11 ILE CA C 13 65.804 0.1 A 11 ILE CB C 13 37.911 0.1 A 11 ILE CD1 C 13 13.058 0.1 A 11 ILE CG1 C 13 29.031 0.1 A 11 ILE CG2 C 13 16.743 0.1 A 11 ILE N N 15 121.310 0.1 A 12 MET H H 1 8.169 0.01 A 12 MET HA H 1 4.325 0.01 A 12 MET HBx H 1 2.243 0.01 A 12 MET HBy H 1 2.360 0.01 A 12 MET HE% H 1 2.169 0.01 A 12 MET HGx H 1 2.682 0.01 A 12 MET HGy H 1 2.844 0.01 A 12 MET C C 13 178.242 0.1 A 12 MET CA C 13 58.818 0.1 A 12 MET CB C 13 34.005 0.1 A 12 MET CE C 13 16.709 0.1 A 12 MET CG C 13 31.890 0.1 A 12 MET N N 15 117.596 0.1 A 13 LYS H H 1 9.109 0.01 A 13 LYS HA H 1 5.053 0.01 A 13 LYS HBx H 1 2.330 0.01 A 13 LYS HBy H 1 2.500 0.01 A 13 LYS HDx H 1 1.885 0.01 A 13 LYS HDy H 1 2.022 0.01 A 13 LYS HEx H 1 3.169 0.01 A 13 LYS HEy H 1 3.204 0.01 A 13 LYS HGx H 1 1.785 0.01 A 13 LYS HGy H 1 1.785 0.01 A 13 LYS C C 13 177.561 0.1 A 13 LYS CA C 13 57.633 0.1 A 13 LYS CB C 13 35.519 0.1 A 13 LYS CD C 13 29.811 0.1 A 13 LYS CE C 13 42.674 0.1 A 13 LYS CG C 13 26.840 0.1 A 13 LYS N N 15 113.712 0.1 A 14 CYS H H 1 8.243 0.01 A 14 CYS HA H 1 5.425 0.01 A 14 CYS HBy H 1 1.888 0.01 A 14 CYS HBx H 1 1.217 0.01 A 14 CYS C C 13 178.032 0.1 A 14 CYS CA C 13 54.509 0.1 A 14 CYS CB C 13 37.196 0.1 A 14 CYS N N 15 115.405 0.1 A 15 SER H H 1 7.431 0.01 A 15 SER HA H 1 3.882 0.01 A 15 SER HBx H 1 3.712 0.01 A 15 SER HBy H 1 3.971 0.01 A 15 SER C C 13 174.540 0.1 A 15 SER CA C 13 61.010 0.1 A 15 SER CB C 13 62.732 0.1 A 15 SER N N 15 114.686 0.1 A 16 GLN H H 1 9.010 0.01 A 16 GLN HA H 1 4.030 0.01 A 16 GLN HBx H 1 2.056 0.01 A 16 GLN HBy H 1 2.302 0.01 A 16 GLN HE2y H 1 7.650 0.01 A 16 GLN HE2x H 1 7.051 0.01 A 16 GLN HGx H 1 2.563 0.01 A 16 GLN HGy H 1 2.718 0.01 A 16 GLN C C 13 176.845 0.1 A 16 GLN CA C 13 58.346 0.1 A 16 GLN CB C 13 28.290 0.1 A 16 GLN CG C 13 33.675 0.1 A 16 GLN N N 15 120.807 0.1 A 16 GLN NE2 N 15 111.574 0.1 A 17 CYS H H 1 6.927 0.01 A 17 CYS HA H 1 4.193 0.01 A 17 CYS HBy H 1 1.518 0.01 A 17 CYS HBx H 1 0.571 0.01 A 17 CYS C C 13 171.643 0.1 A 17 CYS CA C 13 54.332 0.1 A 17 CYS CB C 13 38.576 0.1 A 17 CYS N N 15 112.912 0.1 A 18 HIS H H 1 6.341 0.01 A 18 HIS HA H 1 3.678 0.01 A 18 HIS HBx H 1 0.773 0.01 A 18 HIS HBy H 1 1.098 0.01 A 18 HIS HD1 H 1 9.652 0.01 A 18 HIS HD2 H 1 0.124 0.01 A 18 HIS HE1 H 1 0.506 0.01 A 18 HIS C C 13 173.758 0.1 A 18 HIS CA C 13 53.843 0.1 A 18 HIS CB C 13 32.322 0.1 A 18 HIS CD2 C 13 126.316 0.1 A 18 HIS CE1 C 13 135.311 0.1 A 18 HIS N N 15 113.961 0.1 A 18 HIS ND1 N 15 129.987 0.1 A 19 THR H H 1 7.697 0.01 A 19 THR HA H 1 4.515 0.01 A 19 THR HB H 1 4.463 0.01 A 19 THR HG2% H 1 1.083 0.01 A 19 THR C C 13 174.239 0.1 A 19 THR CA C 13 58.968 0.1 A 19 THR CB C 13 71.475 0.1 A 19 THR CG2 C 13 21.564 0.1 A 19 THR N N 15 109.515 0.1 A 20 VAL H H 1 7.740 0.01 A 20 VAL HA H 1 3.886 0.01 A 20 VAL HB H 1 1.529 0.01 A 20 VAL HGx% H 1 -0.029 0.01 A 20 VAL HGy% H 1 0.389 0.01 A 20 VAL CA C 13 61.108 0.1 A 20 VAL CB C 13 33.855 0.1 A 20 VAL CGy C 13 22.254 0.1 A 20 VAL CGx C 13 18.358 0.1 A 20 VAL N N 15 110.390 0.1 A 21 GLU H H 1 8.672 0.01 A 21 GLU HA H 1 4.221 0.01 A 21 GLU HBx H 1 1.846 0.01 A 21 GLU HBy H 1 1.846 0.01 A 21 GLU HGx H 1 2.158 0.01 A 21 GLU HGy H 1 2.158 0.01 A 21 GLU C C 13 177.747 0.1 A 21 GLU CA C 13 56.819 0.1 A 21 GLU CB C 13 29.959 0.1 A 21 GLU CG C 13 35.995 0.1 A 22 LYS H H 1 8.764 0.01 A 22 LYS HA H 1 3.119 0.01 A 22 LYS HBx H 1 0.497 0.01 A 22 LYS HBy H 1 1.293 0.01 A 22 LYS HDx H 1 1.440 0.01 A 22 LYS HDy H 1 1.440 0.01 A 22 LYS HEx H 1 2.827 0.01 A 22 LYS HEy H 1 2.827 0.01 A 22 LYS HGx H 1 0.793 0.01 A 22 LYS HGy H 1 0.967 0.01 A 22 LYS C C 13 177.883 0.1 A 22 LYS CA C 13 58.153 0.1 A 22 LYS CB C 13 31.263 0.1 A 22 LYS CD C 13 29.230 0.1 A 22 LYS CE C 13 41.921 0.1 A 22 LYS CG C 13 24.397 0.1 A 22 LYS N N 15 126.465 0.1 A 23 GLY H H 1 9.165 0.01 A 23 GLY HAx H 1 3.532 0.01 A 23 GLY HAy H 1 3.862 0.01 A 23 GLY C C 13 174.769 0.1 A 23 GLY CA C 13 45.188 0.1 A 23 GLY N N 15 117.634 0.1 A 24 GLY H H 1 7.869 0.01 A 24 GLY HAx H 1 3.126 0.01 A 24 GLY HAy H 1 3.793 0.01 A 24 GLY C C 13 172.359 0.1 A 24 GLY CA C 13 44.439 0.1 A 24 GLY N N 15 107.578 0.1 A 25 LYS H H 1 8.262 0.01 A 25 LYS HA H 1 3.893 0.01 A 25 LYS HBx H 1 1.480 0.01 A 25 LYS HBy H 1 1.693 0.01 A 25 LYS HDx H 1 1.539 0.01 A 25 LYS HDy H 1 1.539 0.01 A 25 LYS HEx H 1 2.875 0.01 A 25 LYS HEy H 1 2.875 0.01 A 25 LYS HGx H 1 1.259 0.01 A 25 LYS HGy H 1 1.326 0.01 A 25 LYS C C 13 178.807 0.1 A 25 LYS CA C 13 55.763 0.1 A 25 LYS CB C 13 33.194 0.1 A 25 LYS CD C 13 28.958 0.1 A 25 LYS CE C 13 41.965 0.1 A 25 LYS CG C 13 24.511 0.1 A 25 LYS N N 15 118.498 0.1 A 26 HIS H H 1 8.473 0.01 A 26 HIS HA H 1 4.439 0.01 A 26 HIS HBx H 1 2.846 0.01 A 26 HIS HBy H 1 3.071 0.01 A 26 HIS HD2 H 1 7.024 0.01 A 26 HIS HE1 H 1 7.492 0.01 A 26 HIS C C 13 175.570 0.1 A 26 HIS CA C 13 55.915 0.1 A 26 HIS CB C 13 30.894 0.1 A 26 HIS CD2 C 13 118.561 0.1 A 26 HIS CE1 C 13 138.048 0.1 A 26 HIS N N 15 121.639 0.1 A 27 LYS H H 1 7.654 0.01 A 27 LYS HA H 1 4.484 0.01 A 27 LYS HBx H 1 1.053 0.01 A 27 LYS HBy H 1 1.833 0.01 A 27 LYS HDx H 1 1.097 0.01 A 27 LYS HDy H 1 1.380 0.01 A 27 LYS HEx H 1 2.479 0.01 A 27 LYS HEy H 1 2.479 0.01 A 27 LYS HGx H 1 1.057 0.01 A 27 LYS HGy H 1 1.057 0.01 A 27 LYS CA C 13 55.048 0.1 A 27 LYS CB C 13 31.202 0.1 A 27 LYS CD C 13 29.603 0.1 A 27 LYS CE C 13 41.581 0.1 A 27 LYS CG C 13 24.401 0.1 A 27 LYS N N 15 126.052 0.1 A 28 THR HA H 1 4.124 0.01 A 28 THR HB H 1 4.258 0.01 A 28 THR HG2% H 1 2.055 0.01 A 28 THR C C 13 175.492 0.1 A 28 THR CA C 13 67.727 0.1 A 28 THR CB C 13 69.928 0.1 A 28 THR CG2 C 13 22.675 0.1 A 29 GLY H H 1 7.773 0.01 A 29 GLY HAx H 1 -0.014 0.01 A 29 GLY HAy H 1 3.643 0.01 A 29 GLY CA C 13 41.296 0.1 A 29 GLY N N 15 106.984 0.1 A 30 PRO HA H 1 3.583 0.01 A 30 PRO HBy H 1 1.300 0.01 A 30 PRO HBx H 1 0.417 0.01 A 30 PRO HDx H 1 1.213 0.01 A 30 PRO HDy H 1 1.818 0.01 A 30 PRO HGx H 1 0.630 0.01 A 30 PRO HGy H 1 1.542 0.01 A 30 PRO C C 13 176.518 0.1 A 30 PRO CA C 13 60.029 0.1 A 30 PRO CB C 13 30.348 0.1 A 30 PRO CD C 13 47.721 0.1 A 30 PRO CG C 13 26.548 0.1 A 31 ASN H H 1 10.705 0.01 A 31 ASN HA H 1 4.091 0.01 A 31 ASN HBx H 1 1.961 0.01 A 31 ASN HBy H 1 2.105 0.01 A 31 ASN HD2y H 1 7.986 0.01 A 31 ASN HD2x H 1 7.380 0.01 A 31 ASN C C 13 176.135 0.1 A 31 ASN CA C 13 54.851 0.1 A 31 ASN CB C 13 40.421 0.1 A 31 ASN N N 15 124.446 0.1 A 31 ASN ND2 N 15 114.675 0.1 A 32 LEU H H 1 7.803 0.01 A 32 LEU HA H 1 4.060 0.01 A 32 LEU HBx H 1 1.081 0.01 A 32 LEU HBy H 1 1.453 0.01 A 32 LEU HDx% H 1 -0.775 0.01 A 32 LEU HDy% H 1 -0.603 0.01 A 32 LEU HG H 1 0.523 0.01 A 32 LEU C C 13 175.127 0.1 A 32 LEU CA C 13 53.408 0.1 A 32 LEU CB C 13 43.353 0.1 A 32 LEU CDy C 13 23.875 0.1 A 32 LEU CDx C 13 20.963 0.1 A 32 LEU CG C 13 25.217 0.1 A 32 LEU N N 15 121.102 0.1 A 33 HIS H H 1 7.416 0.01 A 33 HIS HA H 1 3.740 0.01 A 33 HIS HBx H 1 2.882 0.01 A 33 HIS HBy H 1 2.882 0.01 A 33 HIS HD2 H 1 7.296 0.01 A 33 HIS HE1 H 1 7.963 0.01 A 33 HIS C C 13 177.555 0.1 A 33 HIS CA C 13 61.116 0.1 A 33 HIS CB C 13 29.147 0.1 A 33 HIS CD2 C 13 127.891 0.1 A 33 HIS CE1 C 13 137.442 0.1 A 33 HIS N N 15 119.614 0.1 A 34 GLY H H 1 8.841 0.01 A 34 GLY HAx H 1 3.716 0.01 A 34 GLY HAy H 1 3.939 0.01 A 34 GLY C C 13 174.406 0.1 A 34 GLY CA C 13 45.938 0.1 A 34 GLY N N 15 114.810 0.1 A 35 LEU H H 1 7.067 0.01 A 35 LEU HA H 1 3.633 0.01 A 35 LEU HBx H 1 1.539 0.01 A 35 LEU HBy H 1 2.186 0.01 A 35 LEU HDx% H 1 0.684 0.01 A 35 LEU HDy% H 1 0.731 0.01 A 35 LEU HG H 1 1.308 0.01 A 35 LEU C C 13 176.935 0.1 A 35 LEU CA C 13 58.052 0.1 A 35 LEU CB C 13 44.498 0.1 A 35 LEU CDx C 13 24.865 0.1 A 35 LEU CDy C 13 26.975 0.1 A 35 LEU CG C 13 26.400 0.1 A 35 LEU N N 15 117.552 0.1 A 36 PHE H H 1 8.709 0.01 A 36 PHE HA H 1 3.864 0.01 A 36 PHE HBx H 1 2.834 0.01 A 36 PHE HBy H 1 3.307 0.01 A 36 PHE HDx H 1 7.406 0.01 A 36 PHE HDy H 1 7.406 0.01 A 36 PHE HEx H 1 6.881 0.01 A 36 PHE HEy H 1 6.881 0.01 A 36 PHE HZ H 1 7.123 0.01 A 36 PHE C C 13 177.552 0.1 A 36 PHE CA C 13 60.426 0.1 A 36 PHE CB C 13 36.977 0.1 A 36 PHE CDx C 13 131.750 0.1 A 36 PHE CEx C 13 129.653 0.1 A 36 PHE CZ C 13 129.144 0.1 A 36 PHE N N 15 112.777 0.1 A 37 GLY H H 1 9.084 0.01 A 37 GLY HAx H 1 3.531 0.01 A 37 GLY HAy H 1 4.466 0.01 A 37 GLY C C 13 173.249 0.1 A 37 GLY CA C 13 44.986 0.1 A 37 GLY N N 15 111.834 0.1 A 38 ARG H H 1 8.278 0.01 A 38 ARG HA H 1 4.697 0.01 A 38 ARG HBx H 1 1.996 0.01 A 38 ARG HBy H 1 2.153 0.01 A 38 ARG HDx H 1 3.178 0.01 A 38 ARG HDy H 1 3.178 0.01 A 38 ARG HE H 1 7.866 0.01 A 38 ARG HGx H 1 1.960 0.01 A 38 ARG HGy H 1 2.280 0.01 A 38 ARG HH1x H 1 6.725 0.01 A 38 ARG C C 13 174.785 0.1 A 38 ARG CA C 13 55.137 0.1 A 38 ARG CB C 13 33.569 0.1 A 38 ARG CD C 13 45.219 0.1 A 38 ARG CG C 13 26.507 0.1 A 38 ARG CZ C 13 184.497 0.1 A 38 ARG N N 15 123.918 0.1 A 38 ARG NE N 15 121.280 0.1 A 39 LYS H H 1 8.110 0.01 A 39 LYS HA H 1 4.950 0.01 A 39 LYS HBx H 1 1.583 0.01 A 39 LYS HBy H 1 1.769 0.01 A 39 LYS HDx H 1 1.587 0.01 A 39 LYS HDy H 1 1.587 0.01 A 39 LYS HEx H 1 2.915 0.01 A 39 LYS HEy H 1 2.915 0.01 A 39 LYS HGx H 1 1.442 0.01 A 39 LYS HGy H 1 1.442 0.01 A 39 LYS C C 13 176.903 0.1 A 39 LYS CA C 13 55.847 0.1 A 39 LYS CB C 13 34.021 0.1 A 39 LYS CD C 13 29.639 0.1 A 39 LYS CE C 13 41.831 0.1 A 39 LYS CG C 13 25.645 0.1 A 39 LYS N N 15 122.348 0.1 A 40 THR H H 1 7.426 0.01 A 40 THR HA H 1 4.508 0.01 A 40 THR HB H 1 4.463 0.01 A 40 THR HG1 H 1 4.887 0.01 A 40 THR HG2% H 1 0.876 0.01 A 40 THR C C 13 177.507 0.1 A 40 THR CA C 13 62.355 0.1 A 40 THR CB C 13 67.408 0.1 A 40 THR CG2 C 13 23.467 0.1 A 40 THR N N 15 109.837 0.1 A 41 GLY H H 1 8.593 0.01 A 41 GLY HAx H 1 1.504 0.01 A 41 GLY HAy H 1 3.272 0.01 A 41 GLY CA C 13 47.859 0.1 A 41 GLY N N 15 113.397 0.1 A 42 GLN H H 1 8.483 0.01 A 42 GLN HA H 1 4.537 0.01 A 42 GLN HBx H 1 1.844 0.01 A 42 GLN HBy H 1 2.485 0.01 A 42 GLN HE2y H 1 7.465 0.01 A 42 GLN HE2x H 1 6.981 0.01 A 42 GLN HGx H 1 2.290 0.01 A 42 GLN HGy H 1 2.290 0.01 A 42 GLN C C 13 176.994 0.1 A 42 GLN CA C 13 55.140 0.1 A 42 GLN CB C 13 30.884 0.1 A 42 GLN CG C 13 34.070 0.1 A 42 GLN N N 15 114.178 0.1 A 42 GLN NE2 N 15 114.460 0.1 A 43 ALA H H 1 8.701 0.01 A 43 ALA HA H 1 4.624 0.01 A 43 ALA HB% H 1 1.576 0.01 A 43 ALA CA C 13 52.115 0.1 A 43 ALA CB C 13 18.526 0.1 A 43 ALA N N 15 126.719 0.1 A 44 PRO HA H 1 4.530 0.01 A 44 PRO HBy H 1 2.387 0.01 A 44 PRO HBx H 1 2.039 0.01 A 44 PRO HDx H 1 3.863 0.01 A 44 PRO HDy H 1 4.189 0.01 A 44 PRO HGx H 1 2.118 0.01 A 44 PRO HGy H 1 2.246 0.01 A 44 PRO C C 13 179.206 0.1 A 44 PRO CA C 13 63.496 0.1 A 44 PRO CB C 13 32.014 0.1 A 44 PRO CD C 13 51.163 0.1 A 44 PRO CG C 13 27.857 0.1 A 45 GLY H H 1 9.133 0.01 A 45 GLY HAx H 1 3.824 0.01 A 45 GLY HAy H 1 4.363 0.01 A 45 GLY CA C 13 45.998 0.1 A 45 GLY N N 15 112.042 0.1 A 46 TYR H H 1 7.140 0.01 A 46 TYR HA H 1 4.068 0.01 A 46 TYR HBx H 1 0.980 0.01 A 46 TYR HBy H 1 2.249 0.01 A 46 TYR HDy H 1 6.185 0.01 A 46 TYR HDx H 1 4.845 0.01 A 46 TYR HEx H 1 6.194 0.01 A 46 TYR HEy H 1 6.870 0.01 A 46 TYR C C 13 173.982 0.1 A 46 TYR CA C 13 57.630 0.1 A 46 TYR CB C 13 39.354 0.1 A 46 TYR CDx C 13 131.684 0.1 A 46 TYR CDy C 13 132.976 0.1 A 46 TYR CEx C 13 116.597 0.1 A 46 TYR CEy C 13 119.025 0.1 A 46 TYR N N 15 120.010 0.1 A 47 SER H H 1 7.169 0.01 A 47 SER HA H 1 4.517 0.01 A 47 SER HBx H 1 3.479 0.01 A 47 SER HBy H 1 3.666 0.01 A 47 SER C C 13 171.940 0.1 A 47 SER CA C 13 56.358 0.1 A 47 SER CB C 13 61.840 0.1 A 47 SER N N 15 123.253 0.1 A 48 TYR H H 1 8.165 0.01 A 48 TYR HA H 1 5.215 0.01 A 48 TYR HBx H 1 2.808 0.01 A 48 TYR HBy H 1 3.713 0.01 A 48 TYR HDy H 1 7.989 0.01 A 48 TYR HDx H 1 7.452 0.01 A 48 TYR HEx H 1 7.065 0.01 A 48 TYR HEy H 1 7.270 0.01 A 48 TYR HH H 1 9.551 0.01 A 48 TYR C C 13 179.400 0.1 A 48 TYR CA C 13 59.144 0.1 A 48 TYR CB C 13 42.164 0.1 A 48 TYR CDy C 13 136.128 0.1 A 48 TYR CDx C 13 135.616 0.1 A 48 TYR CEx C 13 117.783 0.1 A 48 TYR CEy C 13 119.432 0.1 A 48 TYR N N 15 125.885 0.1 A 49 THR H H 1 10.351 0.01 A 49 THR HA H 1 4.452 0.01 A 49 THR HB H 1 4.760 0.01 A 49 THR HG1 H 1 8.785 0.01 A 49 THR HG2% H 1 1.779 0.01 A 49 THR C C 13 176.293 0.1 A 49 THR CA C 13 62.703 0.1 A 49 THR CB C 13 71.357 0.1 A 49 THR CG2 C 13 22.559 0.1 A 49 THR N N 15 113.490 0.1 A 50 ALA H H 1 8.785 0.01 A 50 ALA HA H 1 4.085 0.01 A 50 ALA HB% H 1 1.427 0.01 A 50 ALA C C 13 179.238 0.1 A 50 ALA CA C 13 54.869 0.1 A 50 ALA CB C 13 17.454 0.1 A 50 ALA N N 15 124.016 0.1 A 51 ALA H H 1 7.738 0.01 A 51 ALA HA H 1 3.936 0.01 A 51 ALA HB% H 1 1.324 0.01 A 51 ALA C C 13 179.693 0.1 A 51 ALA CA C 13 55.066 0.1 A 51 ALA CB C 13 18.214 0.1 A 51 ALA N N 15 118.180 0.1 A 52 ASN H H 1 8.434 0.01 A 52 ASN HA H 1 4.216 0.01 A 52 ASN HBx H 1 2.958 0.01 A 52 ASN HBy H 1 3.109 0.01 A 52 ASN HD2y H 1 8.745 0.01 A 52 ASN HD2x H 1 7.454 0.01 A 52 ASN C C 13 178.418 0.1 A 52 ASN CA C 13 58.582 0.1 A 52 ASN CB C 13 39.745 0.1 A 52 ASN N N 15 117.576 0.1 A 52 ASN ND2 N 15 107.338 0.1 A 53 LYS H H 1 8.014 0.01 A 53 LYS HA H 1 3.548 0.01 A 53 LYS HBx H 1 1.849 0.01 A 53 LYS HBy H 1 1.849 0.01 A 53 LYS HDx H 1 1.797 0.01 A 53 LYS HDy H 1 1.842 0.01 A 53 LYS HEx H 1 3.047 0.01 A 53 LYS HEy H 1 3.106 0.01 A 53 LYS HGx H 1 1.523 0.01 A 53 LYS HGy H 1 1.750 0.01 A 53 LYS C C 13 179.113 0.1 A 53 LYS CA C 13 60.376 0.1 A 53 LYS CB C 13 32.360 0.1 A 53 LYS CD C 13 29.431 0.1 A 53 LYS CE C 13 41.859 0.1 A 53 LYS CG C 13 25.649 0.1 A 53 LYS N N 15 119.293 0.1 A 54 ASN H H 1 8.762 0.01 A 54 ASN HA H 1 4.491 0.01 A 54 ASN HBx H 1 2.787 0.01 A 54 ASN HBy H 1 2.787 0.01 A 54 ASN HD2y H 1 7.453 0.01 A 54 ASN HD2x H 1 6.942 0.01 A 54 ASN C C 13 176.325 0.1 A 54 ASN CA C 13 53.489 0.1 A 54 ASN CB C 13 38.353 0.1 A 54 ASN CG C 13 176.916 0.1 A 54 ASN N N 15 114.795 0.1 A 54 ASN ND2 N 15 111.512 0.1 A 55 LYS H H 1 7.467 0.01 A 55 LYS HA H 1 4.053 0.01 A 55 LYS HBx H 1 1.844 0.01 A 55 LYS HBy H 1 2.091 0.01 A 55 LYS HDx H 1 1.339 0.01 A 55 LYS HDy H 1 1.789 0.01 A 55 LYS HEx H 1 1.290 0.01 A 55 LYS HEy H 1 2.272 0.01 A 55 LYS HGx H 1 0.939 0.01 A 55 LYS HGy H 1 0.939 0.01 A 55 LYS C C 13 178.365 0.1 A 55 LYS CA C 13 57.879 0.1 A 55 LYS CB C 13 30.901 0.1 A 55 LYS CD C 13 28.196 0.1 A 55 LYS CE C 13 41.370 0.1 A 55 LYS CG C 13 25.118 0.1 A 55 LYS N N 15 122.398 0.1 A 56 GLY H H 1 7.130 0.01 A 56 GLY HAx H 1 3.729 0.01 A 56 GLY HAy H 1 3.812 0.01 A 56 GLY C C 13 174.155 0.1 A 56 GLY CA C 13 47.262 0.1 A 56 GLY N N 15 102.518 0.1 A 57 ILE H H 1 6.333 0.01 A 57 ILE HA H 1 4.335 0.01 A 57 ILE HB H 1 1.823 0.01 A 57 ILE HD1% H 1 -0.686 0.01 A 57 ILE HG1x H 1 0.421 0.01 A 57 ILE HG1y H 1 0.926 0.01 A 57 ILE HG2% H 1 0.706 0.01 A 57 ILE C C 13 173.603 0.1 A 57 ILE CA C 13 57.762 0.1 A 57 ILE CB C 13 41.131 0.1 A 57 ILE CD1 C 13 13.404 0.1 A 57 ILE CG1 C 13 26.689 0.1 A 57 ILE CG2 C 13 22.297 0.1 A 57 ILE N N 15 109.873 0.1 A 58 ILE H H 1 8.108 0.01 A 58 ILE HA H 1 4.044 0.01 A 58 ILE HB H 1 1.617 0.01 A 58 ILE HD1% H 1 0.743 0.01 A 58 ILE HG1x H 1 1.008 0.01 A 58 ILE HG1y H 1 1.445 0.01 A 58 ILE HG2% H 1 0.685 0.01 A 58 ILE C C 13 177.832 0.1 A 58 ILE CA C 13 58.844 0.1 A 58 ILE CB C 13 38.515 0.1 A 58 ILE CD1 C 13 12.045 0.1 A 58 ILE CG1 C 13 27.875 0.1 A 58 ILE CG2 C 13 17.337 0.1 A 58 ILE N N 15 118.526 0.1 A 59 TRP H H 1 8.974 0.01 A 59 TRP HA H 1 4.902 0.01 A 59 TRP HBx H 1 2.499 0.01 A 59 TRP HBy H 1 3.844 0.01 A 59 TRP HD1 H 1 7.007 0.01 A 59 TRP HE1 H 1 10.032 0.01 A 59 TRP HE3 H 1 7.606 0.01 A 59 TRP HH2 H 1 5.683 0.01 A 59 TRP HZ2 H 1 7.066 0.01 A 59 TRP HZ3 H 1 6.674 0.01 A 59 TRP C C 13 175.908 0.1 A 59 TRP CA C 13 57.488 0.1 A 59 TRP CB C 13 30.259 0.1 A 59 TRP CD1 C 13 127.861 0.1 A 59 TRP CE3 C 13 121.545 0.1 A 59 TRP CH2 C 13 123.572 0.1 A 59 TRP CZ2 C 13 114.266 0.1 A 59 TRP CZ3 C 13 120.626 0.1 A 59 TRP N N 15 131.288 0.1 A 59 TRP NE1 N 15 126.980 0.1 A 60 GLY H H 1 7.949 0.01 A 60 GLY HAx H 1 3.932 0.01 A 60 GLY HAy H 1 4.224 0.01 A 60 GLY C C 13 171.940 0.1 A 60 GLY CA C 13 44.652 0.1 A 60 GLY N N 15 111.426 0.1 A 61 GLU H H 1 9.749 0.01 A 61 GLU HA H 1 3.976 0.01 A 61 GLU HBx H 1 2.226 0.01 A 61 GLU HBy H 1 2.226 0.01 A 61 GLU HGx H 1 2.419 0.01 A 61 GLU HGy H 1 2.482 0.01 A 61 GLU C C 13 177.299 0.1 A 61 GLU CA C 13 62.273 0.1 A 61 GLU CB C 13 29.790 0.1 A 61 GLU CG C 13 37.424 0.1 A 61 GLU N N 15 120.817 0.1 A 62 ASP H H 1 8.504 0.01 A 62 ASP HA H 1 4.429 0.01 A 62 ASP HBx H 1 2.749 0.01 A 62 ASP HBy H 1 2.801 0.01 A 62 ASP C C 13 179.568 0.1 A 62 ASP CA C 13 57.412 0.1 A 62 ASP CB C 13 39.792 0.1 A 62 ASP N N 15 115.160 0.1 A 63 THR H H 1 8.375 0.01 A 63 THR HA H 1 4.210 0.01 A 63 THR HB H 1 4.453 0.01 A 63 THR HG1 H 1 4.616 0.01 A 63 THR HG2% H 1 1.368 0.01 A 63 THR C C 13 178.287 0.1 A 63 THR CA C 13 63.948 0.1 A 63 THR CB C 13 69.012 0.1 A 63 THR CG2 C 13 23.966 0.1 A 63 THR N N 15 113.230 0.1 A 64 LEU H H 1 8.943 0.01 A 64 LEU HA H 1 4.389 0.01 A 64 LEU HBx H 1 1.270 0.01 A 64 LEU HBy H 1 2.118 0.01 A 64 LEU HDx% H 1 0.505 0.01 A 64 LEU HDy% H 1 0.749 0.01 A 64 LEU HG H 1 1.970 0.01 A 64 LEU C C 13 178.901 0.1 A 64 LEU CA C 13 58.739 0.1 A 64 LEU CB C 13 42.804 0.1 A 64 LEU CDy C 13 27.411 0.1 A 64 LEU CDx C 13 24.660 0.1 A 64 LEU CG C 13 28.033 0.1 A 64 LEU N N 15 121.647 0.1 A 65 MET H H 1 8.065 0.01 A 65 MET HA H 1 4.011 0.01 A 65 MET HBx H 1 2.150 0.01 A 65 MET HBy H 1 2.469 0.01 A 65 MET HE% H 1 2.115 0.01 A 65 MET HGx H 1 2.653 0.01 A 65 MET HGy H 1 2.884 0.01 A 65 MET C C 13 178.056 0.1 A 65 MET CA C 13 58.333 0.1 A 65 MET CB C 13 31.504 0.1 A 65 MET CE C 13 16.458 0.1 A 65 MET CG C 13 32.448 0.1 A 65 MET N N 15 119.049 0.1 A 66 GLU H H 1 6.935 0.01 A 66 GLU HA H 1 4.065 0.01 A 66 GLU HBx H 1 1.554 0.01 A 66 GLU HBy H 1 1.792 0.01 A 66 GLU HGx H 1 1.904 0.01 A 66 GLU HGy H 1 2.246 0.01 A 66 GLU C C 13 179.200 0.1 A 66 GLU CA C 13 58.575 0.1 A 66 GLU CB C 13 29.963 0.1 A 66 GLU CG C 13 36.156 0.1 A 66 GLU N N 15 117.522 0.1 A 67 TYR H H 1 8.327 0.01 A 67 TYR HA H 1 3.599 0.01 A 67 TYR HBx H 1 2.732 0.01 A 67 TYR HBy H 1 3.335 0.01 A 67 TYR HEx H 1 3.009 0.01 A 67 TYR HEy H 1 3.009 0.01 A 67 TYR C C 13 176.645 0.1 A 67 TYR CA C 13 60.211 0.1 A 67 TYR CB C 13 40.547 0.1 A 67 TYR CEx C 13 132.086 0.1 A 67 TYR N N 15 120.521 0.1 A 68 LEU H H 1 8.275 0.01 A 68 LEU HA H 1 3.112 0.01 A 68 LEU HBx H 1 1.102 0.01 A 68 LEU HBy H 1 1.714 0.01 A 68 LEU HDx% H 1 1.086 0.01 A 68 LEU HDy% H 1 0.345 0.01 A 68 LEU HG H 1 1.948 0.01 A 68 LEU C C 13 176.909 0.1 A 68 LEU CA C 13 55.656 0.1 A 68 LEU CB C 13 41.653 0.1 A 68 LEU CDy C 13 26.328 0.1 A 68 LEU CDx C 13 22.031 0.1 A 68 LEU CG C 13 27.092 0.1 A 68 LEU N N 15 109.573 0.1 A 69 GLU H H 1 6.884 0.01 A 69 GLU HA H 1 3.952 0.01 A 69 GLU HBx H 1 1.745 0.01 A 69 GLU HBy H 1 2.017 0.01 A 69 GLU HGx H 1 2.117 0.01 A 69 GLU HGy H 1 2.197 0.01 A 69 GLU C C 13 176.294 0.1 A 69 GLU CA C 13 58.906 0.1 A 69 GLU CB C 13 29.987 0.1 A 69 GLU CG C 13 36.639 0.1 A 69 GLU N N 15 119.264 0.1 A 70 ASN H H 1 6.205 0.01 A 70 ASN HA H 1 4.258 0.01 A 70 ASN HBx H 1 2.802 0.01 A 70 ASN HBy H 1 2.802 0.01 A 70 ASN HD2y H 1 7.739 0.01 A 70 ASN HD2x H 1 6.708 0.01 A 70 ASN CA C 13 51.787 0.1 A 70 ASN CB C 13 37.305 0.1 A 70 ASN N N 15 105.389 0.1 A 70 ASN ND2 N 15 111.806 0.1 A 71 PRO HA H 1 3.639 0.01 A 71 PRO HBy H 1 0.911 0.01 A 71 PRO HBx H 1 0.406 0.01 A 71 PRO HDx H 1 2.807 0.01 A 71 PRO HDy H 1 3.099 0.01 A 71 PRO HGx H 1 0.103 0.01 A 71 PRO HGy H 1 0.740 0.01 A 71 PRO C C 13 176.768 0.1 A 71 PRO CA C 13 66.002 0.1 A 71 PRO CB C 13 30.333 0.1 A 71 PRO CD C 13 49.177 0.1 A 71 PRO CG C 13 26.675 0.1 A 72 LYS H H 1 7.602 0.01 A 72 LYS HA H 1 3.781 0.01 A 72 LYS HBx H 1 1.518 0.01 A 72 LYS HBy H 1 1.690 0.01 A 72 LYS HDx H 1 1.480 0.01 A 72 LYS HDy H 1 1.480 0.01 A 72 LYS HEx H 1 2.828 0.01 A 72 LYS HEy H 1 2.828 0.01 A 72 LYS HGx H 1 1.131 0.01 A 72 LYS HGy H 1 1.256 0.01 A 72 LYS C C 13 177.278 0.1 A 72 LYS CA C 13 57.740 0.1 A 72 LYS CB C 13 31.730 0.1 A 72 LYS CD C 13 29.554 0.1 A 72 LYS CE C 13 41.879 0.1 A 72 LYS CG C 13 24.559 0.1 A 72 LYS N N 15 113.707 0.1 A 73 LYS H H 1 6.965 0.01 A 73 LYS HA H 1 3.943 0.01 A 73 LYS HBx H 1 1.579 0.01 A 73 LYS HBy H 1 1.612 0.01 A 73 LYS HDx H 1 1.575 0.01 A 73 LYS HDy H 1 1.575 0.01 A 73 LYS HEx H 1 2.944 0.01 A 73 LYS HEy H 1 2.944 0.01 A 73 LYS HGx H 1 1.299 0.01 A 73 LYS HGy H 1 1.342 0.01 A 73 LYS C C 13 177.260 0.1 A 73 LYS CA C 13 57.618 0.1 A 73 LYS CB C 13 33.314 0.1 A 73 LYS CD C 13 29.562 0.1 A 73 LYS CE C 13 42.046 0.1 A 73 LYS CG C 13 25.018 0.1 A 73 LYS N N 15 118.833 0.1 A 74 TYR H H 1 7.305 0.01 A 74 TYR HA H 1 4.386 0.01 A 74 TYR HBx H 1 3.122 0.01 A 74 TYR HBy H 1 3.257 0.01 A 74 TYR HDx H 1 7.225 0.01 A 74 TYR HDy H 1 7.225 0.01 A 74 TYR HEx H 1 6.556 0.01 A 74 TYR HEy H 1 6.556 0.01 A 74 TYR C C 13 175.915 0.1 A 74 TYR CA C 13 60.880 0.1 A 74 TYR CB C 13 39.721 0.1 A 74 TYR CDx C 13 132.453 0.1 A 74 TYR CEx C 13 118.050 0.1 A 74 TYR N N 15 119.062 0.1 A 75 ILE H H 1 8.246 0.01 A 75 ILE HA H 1 4.099 0.01 A 75 ILE HB H 1 1.868 0.01 A 75 ILE HD1% H 1 0.957 0.01 A 75 ILE HG1x H 1 0.619 0.01 A 75 ILE HG1y H 1 1.784 0.01 A 75 ILE HG2% H 1 0.612 0.01 A 75 ILE CA C 13 58.915 0.1 A 75 ILE CB C 13 37.569 0.1 A 75 ILE CD1 C 13 12.551 0.1 A 75 ILE CG1 C 13 27.632 0.1 A 75 ILE CG2 C 13 18.548 0.1 A 75 ILE N N 15 113.961 0.1 A 76 PRO HA H 1 4.498 0.01 A 76 PRO HBy H 1 2.194 0.01 A 76 PRO HBx H 1 1.729 0.01 A 76 PRO HDx H 1 3.169 0.01 A 76 PRO HDy H 1 3.353 0.01 A 76 PRO HGx H 1 1.892 0.01 A 76 PRO HGy H 1 1.944 0.01 A 76 PRO C C 13 178.843 0.1 A 76 PRO CA C 13 64.227 0.1 A 76 PRO CB C 13 31.159 0.1 A 76 PRO CD C 13 49.469 0.1 A 76 PRO CG C 13 27.553 0.1 A 77 GLY H H 1 8.685 0.01 A 77 GLY HAx H 1 3.618 0.01 A 77 GLY HAy H 1 4.198 0.01 A 77 GLY C C 13 175.562 0.1 A 77 GLY CA C 13 44.585 0.1 A 77 GLY N N 15 111.420 0.1 A 78 THR H H 1 8.149 0.01 A 78 THR HA H 1 4.513 0.01 A 78 THR HB H 1 4.256 0.01 A 78 THR HG1 H 1 8.486 0.01 A 78 THR HG2% H 1 0.812 0.01 A 78 THR C C 13 172.555 0.1 A 78 THR CA C 13 61.448 0.1 A 78 THR CB C 13 68.371 0.1 A 78 THR CG2 C 13 18.973 0.1 A 78 THR N N 15 115.207 0.1 A 79 LYS H H 1 7.983 0.01 A 79 LYS HA H 1 4.681 0.01 A 79 LYS HBx H 1 1.876 0.01 A 79 LYS HBy H 1 2.400 0.01 A 79 LYS HDx H 1 1.861 0.01 A 79 LYS HDy H 1 2.088 0.01 A 79 LYS HEx H 1 3.515 0.01 A 79 LYS HEy H 1 3.880 0.01 A 79 LYS HGx H 1 1.723 0.01 A 79 LYS HGy H 1 1.936 0.01 A 79 LYS C C 13 175.685 0.1 A 79 LYS CA C 13 55.501 0.1 A 79 LYS CB C 13 32.664 0.1 A 79 LYS CD C 13 29.791 0.1 A 79 LYS CE C 13 42.841 0.1 A 79 LYS CG C 13 24.605 0.1 A 79 LYS N N 15 122.712 0.1 A 80 MET H H 1 7.128 0.01 A 80 MET HA H 1 3.122 0.01 A 80 MET HBx H 1 -2.572 0.01 A 80 MET HBy H 1 -0.227 0.01 A 80 MET HE% H 1 -3.278 0.01 A 80 MET HGx H 1 -3.741 0.01 A 80 MET HGy H 1 -1.892 0.01 A 80 MET C C 13 171.649 0.1 A 80 MET CA C 13 56.151 0.1 A 80 MET CB C 13 27.182 0.1 A 80 MET CE C 13 15.605 0.1 A 80 MET CG C 13 28.108 0.1 A 80 MET N N 15 123.683 0.1 A 81 ILE H H 1 7.917 0.01 A 81 ILE HA H 1 3.594 0.01 A 81 ILE HB H 1 2.076 0.01 A 81 ILE HD1% H 1 0.695 0.01 A 81 ILE HG1x H 1 1.269 0.01 A 81 ILE HG1y H 1 1.432 0.01 A 81 ILE HG2% H 1 0.769 0.01 A 81 ILE C C 13 173.438 0.1 A 81 ILE CA C 13 59.503 0.1 A 81 ILE CB C 13 34.926 0.1 A 81 ILE CD1 C 13 10.989 0.1 A 81 ILE CG1 C 13 26.258 0.1 A 81 ILE CG2 C 13 17.347 0.1 A 81 ILE N N 15 130.268 0.1 A 82 PHE H H 1 6.572 0.01 A 82 PHE HA H 1 4.444 0.01 A 82 PHE HBx H 1 0.559 0.01 A 82 PHE HBy H 1 2.161 0.01 A 82 PHE HDx H 1 6.715 0.01 A 82 PHE HDy H 1 6.715 0.01 A 82 PHE HEx H 1 7.389 0.01 A 82 PHE HEy H 1 7.389 0.01 A 82 PHE HZ H 1 7.215 0.01 A 82 PHE C C 13 174.596 0.1 A 82 PHE CA C 13 56.961 0.1 A 82 PHE CB C 13 40.900 0.1 A 82 PHE CDy C 13 131.172 0.1 A 82 PHE CEy C 13 131.159 0.1 A 82 PHE CZ C 13 129.928 0.1 A 82 PHE N N 15 123.421 0.1 A 83 VAL H H 1 7.865 0.01 A 83 VAL HA H 1 3.401 0.01 A 83 VAL HB H 1 1.793 0.01 A 83 VAL HGx% H 1 0.725 0.01 A 83 VAL HGy% H 1 0.746 0.01 A 83 VAL C C 13 174.714 0.1 A 83 VAL CA C 13 64.639 0.1 A 83 VAL CB C 13 31.794 0.1 A 83 VAL CGy C 13 20.283 0.1 A 83 VAL CGx C 13 20.201 0.1 A 83 VAL N N 15 125.491 0.1 A 84 GLY H H 1 4.483 0.01 A 84 GLY HAx H 1 2.981 0.01 A 84 GLY HAy H 1 4.291 0.01 A 84 GLY C C 13 172.325 0.1 A 84 GLY CA C 13 43.176 0.1 A 84 GLY N N 15 104.306 0.1 A 85 ILE H H 1 8.396 0.01 A 85 ILE HA H 1 4.248 0.01 A 85 ILE HB H 1 1.459 0.01 A 85 ILE HD1% H 1 1.011 0.01 A 85 ILE HG1x H 1 1.277 0.01 A 85 ILE HG1y H 1 1.750 0.01 A 85 ILE HG2% H 1 1.052 0.01 A 85 ILE C C 13 175.355 0.1 A 85 ILE CA C 13 59.883 0.1 A 85 ILE CB C 13 40.020 0.1 A 85 ILE CD1 C 13 14.522 0.1 A 85 ILE CG1 C 13 27.268 0.1 A 85 ILE CG2 C 13 18.800 0.1 A 85 ILE N N 15 120.862 0.1 A 86 LYS H H 1 8.642 0.01 A 86 LYS HA H 1 4.077 0.01 A 86 LYS HBx H 1 1.816 0.01 A 86 LYS HBy H 1 1.816 0.01 A 86 LYS HDx H 1 1.623 0.01 A 86 LYS HDy H 1 1.623 0.01 A 86 LYS HEx H 1 2.861 0.01 A 86 LYS HEy H 1 2.917 0.01 A 86 LYS HGx H 1 1.380 0.01 A 86 LYS HGy H 1 1.477 0.01 A 86 LYS C C 13 178.697 0.1 A 86 LYS CA C 13 58.815 0.1 A 86 LYS CB C 13 32.740 0.1 A 86 LYS CD C 13 28.627 0.1 A 86 LYS CE C 13 42.189 0.1 A 86 LYS CG C 13 24.736 0.1 A 86 LYS N N 15 127.769 0.1 A 87 LYS H H 1 8.448 0.01 A 87 LYS HA H 1 4.355 0.01 A 87 LYS HBx H 1 1.791 0.01 A 87 LYS HBy H 1 1.915 0.01 A 87 LYS HDx H 1 1.748 0.01 A 87 LYS HDy H 1 1.748 0.01 A 87 LYS HEx H 1 3.035 0.01 A 87 LYS HEy H 1 3.035 0.01 A 87 LYS HGx H 1 1.512 0.01 A 87 LYS HGy H 1 1.645 0.01 A 87 LYS C C 13 177.863 0.1 A 87 LYS CA C 13 57.179 0.1 A 87 LYS CB C 13 32.951 0.1 A 87 LYS CD C 13 29.356 0.1 A 87 LYS CE C 13 42.136 0.1 A 87 LYS CG C 13 25.698 0.1 A 87 LYS N N 15 120.477 0.1 A 88 LYS H H 1 9.244 0.01 A 88 LYS HA H 1 3.684 0.01 A 88 LYS HBx H 1 1.810 0.01 A 88 LYS HBy H 1 1.887 0.01 A 88 LYS HDx H 1 1.683 0.01 A 88 LYS HDy H 1 1.683 0.01 A 88 LYS HEx H 1 2.961 0.01 A 88 LYS HEy H 1 3.001 0.01 A 88 LYS HGx H 1 1.412 0.01 A 88 LYS HGy H 1 1.451 0.01 A 88 LYS C C 13 178.046 0.1 A 88 LYS CA C 13 60.682 0.1 A 88 LYS CB C 13 32.483 0.1 A 88 LYS CD C 13 29.593 0.1 A 88 LYS CE C 13 42.006 0.1 A 88 LYS CG C 13 25.162 0.1 A 88 LYS N N 15 129.891 0.1 A 89 GLU H H 1 9.538 0.01 A 89 GLU HA H 1 4.010 0.01 A 89 GLU HBx H 1 2.021 0.01 A 89 GLU HBy H 1 2.021 0.01 A 89 GLU HGx H 1 2.350 0.01 A 89 GLU HGy H 1 2.429 0.01 A 89 GLU C C 13 178.103 0.1 A 89 GLU CA C 13 60.200 0.1 A 89 GLU CB C 13 29.130 0.1 A 89 GLU CG C 13 36.800 0.1 A 89 GLU N N 15 118.237 0.1 A 90 GLU H H 1 6.454 0.01 A 90 GLU HA H 1 4.302 0.01 A 90 GLU HBx H 1 2.013 0.01 A 90 GLU HBy H 1 2.108 0.01 A 90 GLU HGx H 1 2.375 0.01 A 90 GLU HGy H 1 2.375 0.01 A 90 GLU C C 13 178.990 0.1 A 90 GLU CA C 13 58.680 0.1 A 90 GLU CB C 13 30.441 0.1 A 90 GLU CG C 13 37.289 0.1 A 90 GLU N N 15 116.773 0.1 A 91 ARG H H 1 7.528 0.01 A 91 ARG HA H 1 3.849 0.01 A 91 ARG HBx H 1 1.934 0.01 A 91 ARG HBy H 1 2.202 0.01 A 91 ARG HDx H 1 3.288 0.01 A 91 ARG HDy H 1 3.371 0.01 A 91 ARG HE H 1 6.317 0.01 A 91 ARG HGx H 1 1.320 0.01 A 91 ARG HGy H 1 1.804 0.01 A 91 ARG C C 13 177.686 0.1 A 91 ARG CA C 13 61.567 0.1 A 91 ARG CB C 13 31.709 0.1 A 91 ARG CD C 13 44.248 0.1 A 91 ARG CG C 13 30.772 0.1 A 91 ARG N N 15 117.576 0.1 A 91 ARG NE N 15 119.999 0.1 A 92 ALA H H 1 8.747 0.01 A 92 ALA HA H 1 4.063 0.01 A 92 ALA HB% H 1 1.534 0.01 A 92 ALA C C 13 181.253 0.1 A 92 ALA CA C 13 55.699 0.1 A 92 ALA CB C 13 18.133 0.1 A 92 ALA N N 15 120.257 0.1 A 93 ASP H H 1 8.269 0.01 A 93 ASP HA H 1 4.310 0.01 A 93 ASP HBx H 1 2.696 0.01 A 93 ASP HBy H 1 2.696 0.01 A 93 ASP C C 13 177.882 0.1 A 93 ASP CA C 13 58.505 0.1 A 93 ASP CB C 13 39.934 0.1 A 93 ASP N N 15 122.207 0.1 A 94 LEU H H 1 8.266 0.01 A 94 LEU HA H 1 4.308 0.01 A 94 LEU HBx H 1 1.834 0.01 A 94 LEU HBy H 1 2.377 0.01 A 94 LEU HDx% H 1 1.549 0.01 A 94 LEU HDy% H 1 1.492 0.01 A 94 LEU HG H 1 1.878 0.01 A 94 LEU C C 13 178.659 0.1 A 94 LEU CA C 13 58.589 0.1 A 94 LEU CB C 13 41.910 0.1 A 94 LEU CDx C 13 24.462 0.1 A 94 LEU CDy C 13 29.060 0.1 A 94 LEU CG C 13 28.090 0.1 A 94 LEU N N 15 121.351 0.1 A 95 ILE H H 1 9.064 0.01 A 95 ILE HA H 1 3.712 0.01 A 95 ILE HB H 1 2.063 0.01 A 95 ILE HD1% H 1 0.984 0.01 A 95 ILE HG1x H 1 1.042 0.01 A 95 ILE HG1y H 1 2.010 0.01 A 95 ILE HG2% H 1 1.230 0.01 A 95 ILE C C 13 176.547 0.1 A 95 ILE CA C 13 66.692 0.1 A 95 ILE CB C 13 38.110 0.1 A 95 ILE CD1 C 13 14.751 0.1 A 95 ILE CG1 C 13 32.242 0.1 A 95 ILE CG2 C 13 18.246 0.1 A 95 ILE N N 15 120.284 0.1 A 96 ALA H H 1 8.075 0.01 A 96 ALA HA H 1 4.125 0.01 A 96 ALA HB% H 1 1.425 0.01 A 96 ALA C C 13 180.941 0.1 A 96 ALA CA C 13 55.283 0.1 A 96 ALA CB C 13 17.459 0.1 A 96 ALA N N 15 123.111 0.1 A 97 TYR H H 1 8.166 0.01 A 97 TYR HA H 1 4.252 0.01 A 97 TYR HBx H 1 3.137 0.01 A 97 TYR HBy H 1 3.673 0.01 A 97 TYR HDy H 1 7.141 0.01 A 97 TYR HDx H 1 6.588 0.01 A 97 TYR HEy H 1 6.716 0.01 A 97 TYR HEx H 1 5.562 0.01 A 97 TYR C C 13 176.499 0.1 A 97 TYR CA C 13 61.833 0.1 A 97 TYR CB C 13 37.314 0.1 A 97 TYR CDy C 13 133.054 0.1 A 97 TYR CDx C 13 132.700 0.1 A 97 TYR CEy C 13 118.555 0.1 A 97 TYR CEx C 13 116.974 0.1 A 97 TYR N N 15 118.343 0.1 A 98 LEU H H 1 9.090 0.01 A 98 LEU HA H 1 3.425 0.01 A 98 LEU HBx H 1 1.399 0.01 A 98 LEU HBy H 1 2.313 0.01 A 98 LEU HDx% H 1 1.114 0.01 A 98 LEU HDy% H 1 0.673 0.01 A 98 LEU HG H 1 2.188 0.01 A 98 LEU C C 13 179.282 0.1 A 98 LEU CA C 13 57.932 0.1 A 98 LEU CB C 13 42.142 0.1 A 98 LEU CDy C 13 26.038 0.1 A 98 LEU CDx C 13 23.020 0.1 A 98 LEU CG C 13 26.614 0.1 A 98 LEU N N 15 119.402 0.1 A 99 LYS H H 1 8.993 0.01 A 99 LYS HA H 1 2.532 0.01 A 99 LYS HBx H 1 1.312 0.01 A 99 LYS HBy H 1 1.575 0.01 A 99 LYS HDx H 1 1.300 0.01 A 99 LYS HDy H 1 1.362 0.01 A 99 LYS HEx H 1 2.755 0.01 A 99 LYS HEy H 1 2.755 0.01 A 99 LYS HGx H 1 0.335 0.01 A 99 LYS HGy H 1 0.817 0.01 A 99 LYS C C 13 176.930 0.1 A 99 LYS CA C 13 59.470 0.1 A 99 LYS CB C 13 32.253 0.1 A 99 LYS CD C 13 29.603 0.1 A 99 LYS CE C 13 42.022 0.1 A 99 LYS CG C 13 24.879 0.1 A 99 LYS N N 15 123.885 0.1 A 100 LYS H H 1 6.812 0.01 A 100 LYS HA H 1 4.057 0.01 A 100 LYS HBx H 1 1.751 0.01 A 100 LYS HBy H 1 1.751 0.01 A 100 LYS HDx H 1 1.589 0.01 A 100 LYS HDy H 1 1.693 0.01 A 100 LYS HEx H 1 3.000 0.01 A 100 LYS HEy H 1 3.000 0.01 A 100 LYS HGx H 1 1.219 0.01 A 100 LYS HGy H 1 1.363 0.01 A 100 LYS C C 13 178.663 0.1 A 100 LYS CA C 13 58.069 0.1 A 100 LYS CB C 13 33.526 0.1 A 100 LYS CD C 13 29.752 0.1 A 100 LYS CE C 13 42.081 0.1 A 100 LYS CG C 13 24.580 0.1 A 100 LYS N N 15 117.012 0.1 A 101 ALA H H 1 8.628 0.01 A 101 ALA HA H 1 3.885 0.01 A 101 ALA HB% H 1 0.562 0.01 A 101 ALA C C 13 179.767 0.1 A 101 ALA CA C 13 54.781 0.1 A 101 ALA CB C 13 18.807 0.1 A 101 ALA N N 15 119.741 0.1 A 102 THR H H 1 7.854 0.01 A 102 THR HA H 1 4.288 0.01 A 102 THR HB H 1 4.703 0.01 A 102 THR HG2% H 1 0.997 0.01 A 102 THR C C 13 173.132 0.1 A 102 THR CA C 13 62.261 0.1 A 102 THR CB C 13 69.637 0.1 A 102 THR CG2 C 13 22.316 0.1 A 102 THR N N 15 102.134 0.1 A 103 ASN H H 1 7.061 0.01 A 103 ASN HA H 1 4.867 0.01 A 103 ASN HBx H 1 2.506 0.01 A 103 ASN HBy H 1 2.804 0.01 A 103 ASN HD2y H 1 7.887 0.01 A 103 ASN HD2x H 1 6.470 0.01 A 103 ASN C C 13 173.953 0.1 A 103 ASN CA C 13 52.692 0.1 A 103 ASN CB C 13 41.715 0.1 A 103 ASN CG C 13 177.707 0.1 A 103 ASN N N 15 118.455 0.1 A 103 ASN ND2 N 15 114.174 0.1 A 104 GLU H H 1 7.292 0.01 A 104 GLU HA H 1 4.223 0.01 A 104 GLU HBx H 1 1.942 0.01 A 104 GLU HBy H 1 2.000 0.01 A 104 GLU HGx H 1 2.282 0.01 A 104 GLU HGy H 1 2.282 0.01 A 104 GLU CA C 13 58.040 0.1 A 104 GLU CB C 13 31.300 0.1 A 104 GLU CG C 13 36.348 0.1 A 104 GLU N N 15 124.958 0.1 B 1 HEC HAAy H 1 3.684 0.01 B 1 HEC HAAx H 1 -3.280 0.01 B 1 HEC HAB H 1 5.236 0.01 B 1 HEC HAC H 1 6.383 0.01 B 1 HEC HBAx H 1 2.712 0.01 B 1 HEC HBAy H 1 3.223 0.01 B 1 HEC HBB% H 1 1.492 0.01 B 1 HEC HBC% H 1 2.584 0.01 B 1 HEC HBDy H 1 3.974 0.01 B 1 HEC HBDx H 1 2.655 0.01 B 1 HEC HHB H 1 9.033 0.01 B 1 HEC HHC H 1 9.323 0.01 B 1 HEC HHD H 1 9.630 0.01 B 1 HEC HMA% H 1 2.165 0.01 B 1 HEC HMB% H 1 3.497 0.01 B 1 HEC HMC% H 1 3.857 0.01 B 1 HEC HMD% H 1 3.503 0.01 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 99 LYS HA A 102 THR H 1.0 . 4.98 2 2 A 102 THR H A 98 LEU HA 1.0 . 4.60 3 3 A 102 THR H A 101 ALA H 1.0 . 3.65 4 4 A 56 GLY H A 55 LYS HGx 1.0 . 5.07 5 4 A 55 LYS HGy A 56 GLY H 1.0 . 5.07 6 5 A 70 ASN H A 69 GLU HBx 1.0 . 4.25 7 6 A 70 ASN H A 69 GLU HBy 1.0 . 4.25 8 7 A 70 ASN H A 69 GLU HGx 1.0 . 4.80 9 8 A 70 ASN H A 70 ASN HBx 1.0 . 3.54 10 8 A 70 ASN H A 70 ASN HBy 1.0 . 3.54 11 9 A 70 ASN H A 71 PRO HDx 1.0 . 4.64 12 10 A 70 ASN H A 71 PRO HDy 1.0 . 4.64 13 11 A 70 ASN H A 67 TYR HA 1.0 . 4.70 14 12 A 70 ASN H A 69 GLU H 1.0 . 3.32 15 13 A 70 ASN H A 68 LEU H 1.0 . 5.03 16 14 A 29 GLY H A 17 CYS HBy 1.0 . 4.36 17 15 A 29 GLY H A 17 CYS HBx 1.0 . 4.36 18 16 A 29 GLY H A 28 THR HB 1.0 . 3.61 19 17 A 6 GLY H A 9 ILE HD1% 1.0 . 4.66 20 18 A 6 GLY H A 5 LYS HBx 1.0 . 3.65 21 18 A 6 GLY H A 5 LYS HBy 1.0 . 3.65 22 19 A 6 GLY H A 93 ASP HBx 1.0 . 3.83 23 19 A 6 GLY H A 93 ASP HBy 1.0 . 3.83 24 20 A 6 GLY H A 7 LYS H 1.0 . 3.18 25 21 A 6 GLY H A 5 LYS H 1.0 . 3.18 26 22 A 52 ASN HD2y A 75 ILE HD1% 1.0 . 4.82 27 23 A 41 GLY HAy A 52 ASN HD2x 1.0 . 5.22 28 24 A 52 ASN HD2x A 52 ASN HA 1.0 . 4.38 29 25 A 52 ASN HD2y A 52 ASN HA 1.0 . 4.13 30 26 A 52 ASN HD2x A 40 THR HA 1.0 . 4.70 31 27 A 52 ASN HD2y A 48 TYR HEx 1.0 . 4.96 32 28 A 24 GLY H A 21 GLU HBx 1.0 . 5.44 33 28 A 21 GLU HBy A 24 GLY H 1.0 . 5.44 34 29 A 24 GLY H A 21 GLU HGx 1.0 . 4.23 35 29 A 24 GLY H A 21 GLU HGy 1.0 . 4.23 36 30 A 24 GLY H A 31 ASN HD2x 1.0 . 4.03 37 31 A 24 GLY H A 22 LYS H 1.0 . 5.45 38 32 A 24 GLY H A 23 GLY H 1.0 . 4.35 39 33 A 19 THR H A 19 THR HG2% 1.0 . 3.65 40 34 A 19 THR H A 31 ASN HA 1.0 . 3.95 41 35 A 68 LEU H A 68 LEU HDx% 1.0 . 4.23 42 36 A 68 LEU H A 68 LEU HBx 1.0 . 3.68 43 37 A 68 LEU H A 68 LEU HBy 1.0 . 3.68 44 38 A 68 LEU H A 68 LEU HG 1.0 . 3.83 45 39 A 68 LEU H A 67 TYR HBy 1.0 . 3.61 46 40 A 69 GLU H A 68 LEU H 1.0 . 3.62 47 41 A 68 LEU H A 67 TYR H 1.0 . 2.90 48 42 A 40 THR H A 39 LYS HGx 1.0 . 4.06 49 42 A 39 LYS HGy A 40 THR H 1.0 . 4.06 50 43 A 40 THR H A 39 LYS HBx 1.0 . 4.12 51 44 A 40 THR H A 39 LYS HBy 1.0 . 4.12 52 45 A 40 THR H A 58 ILE HA 1.0 . 4.64 53 46 A 40 THR H A 39 LYS HA 1.0 . 3.16 54 47 A 40 THR H A 57 ILE H 1.0 . 4.52 55 48 A 57 ILE H A 40 THR HG2% 1.0 . 3.51 56 49 A 57 ILE H A 57 ILE HG1y 1.0 . 3.88 57 50 A 56 GLY H A 57 ILE H 1.0 . 4.37 58 51 A 20 VAL H A 21 GLU HGx 1.0 . 4.99 59 51 A 21 GLU HGy A 20 VAL H 1.0 . 4.99 60 52 A 20 VAL H A 19 THR HA 1.0 . 3.11 61 53 A 20 VAL H A 21 GLU H 1.0 . 3.54 62 54 A 60 GLY H A 63 THR HG2% 1.0 . 4.46 63 55 A 60 GLY H A 64 LEU HG 1.0 . 4.72 64 56 A 60 GLY H A 59 TRP HBx 1.0 . 4.58 65 57 A 60 GLY H A 59 TRP HBy 1.0 . 4.58 66 58 A 60 GLY H A 63 THR HG1 1.0 . 3.32 67 59 A 60 GLY H A 59 TRP HA 1.0 . 3.17 68 60 A 60 GLY H A 59 TRP HE3 1.0 . 4.36 69 61 A 60 GLY H A 59 TRP H 1.0 . 4.86 70 62 A 54 ASN HD2y A 54 ASN HBx 1.0 . 4.06 71 62 A 54 ASN HBy A 54 ASN HD2y 1.0 . 4.06 72 63 A 70 ASN HD2y A 73 LYS HDx 1.0 . 5.50 73 63 A 70 ASN HD2y A 73 LYS HDy 1.0 . 5.50 74 64 A 70 ASN HD2x A 73 LYS HDx 1.0 . 5.50 75 64 A 73 LYS HDy A 70 ASN HD2x 1.0 . 5.50 76 65 A 70 ASN HD2y A 70 ASN HBx 1.0 . 4.03 77 65 A 70 ASN HBy A 70 ASN HD2y 1.0 . 4.03 78 66 A 70 ASN HD2x A 70 ASN HBx 1.0 . 4.03 79 66 A 70 ASN HBy A 70 ASN HD2x 1.0 . 4.03 80 67 A 36 PHE HA A 37 GLY H 1.0 . 3.00 81 68 A 35 LEU HBy A 36 PHE H 1.0 . 4.11 82 69 A 36 PHE H A 35 LEU HBx 1.0 . 4.84 83 70 A 36 PHE H A 36 PHE HBy 1.0 . 3.84 84 71 A 36 PHE H A 35 LEU H 1.0 . 4.05 85 72 A 16 GLN HBx A 17 CYS H 1.0 . 4.35 86 73 A 17 CYS H A 16 GLN HBy 1.0 . 4.35 87 74 A 17 CYS H A 16 GLN HGx 1.0 . 4.89 88 75 A 17 CYS H A 15 SER HA 1.0 . 4.53 89 76 A 17 CYS H A 18 HIS H 1.0 . 3.14 90 77 A 63 THR H A 64 LEU HBx 1.0 . 5.23 91 78 A 63 THR H A 62 ASP HBx 1.0 . 3.79 92 79 A 63 THR H A 62 ASP HBy 1.0 . 3.79 93 80 A 63 THR H A 63 THR HB 1.0 . 4.02 94 81 A 63 THR HG1 A 63 THR H 1.0 . 3.99 95 82 A 59 TRP HA A 63 THR H 1.0 . 5.04 96 83 A 60 GLY H A 63 THR H 1.0 . 4.39 97 84 A 63 THR H A 64 LEU H 1.0 . 3.40 98 85 A 40 THR HG2% A 41 GLY H 1.0 . 4.76 99 86 A 41 GLY H A 59 TRP HE1 1.0 . 4.44 100 87 A 40 THR HA A 41 GLY H 1.0 . 3.24 101 88 A 48 TYR HEx A 41 GLY H 1.0 . 4.86 102 89 A 40 THR H A 41 GLY H 1.0 . 4.74 103 90 A 49 THR H A 49 THR HG2% 1.0 . 3.54 104 91 A 49 THR H A 52 ASN HBy 1.0 . 4.77 105 92 A 49 THR H A 48 TYR HDy 1.0 . 4.63 106 93 A 49 THR H A 49 THR HG1 1.0 . 3.51 107 94 A 72 LYS H A 71 PRO HBx 1.0 . 4.62 108 95 A 72 LYS H A 72 LYS HGx 1.0 . 4.28 109 96 A 72 LYS H A 72 LYS HGy 1.0 . 4.28 110 97 A 72 LYS H A 72 LYS HBx 1.0 . 3.73 111 98 A 72 LYS H A 72 LYS HBy 1.0 . 3.73 112 99 A 72 LYS H A 70 ASN HBx 1.0 . 5.03 113 99 A 70 ASN HBy A 72 LYS H 1.0 . 5.03 114 100 A 72 LYS H A 72 LYS HEx 1.0 . 4.59 115 100 A 72 LYS H A 72 LYS HEy 1.0 . 4.59 116 101 A 72 LYS H A 70 ASN HA 1.0 . 5.19 117 102 A 9 ILE HG2% A 13 LYS H 1.0 . 4.73 118 103 A 13 LYS H A 13 LYS HGx 1.0 . 4.14 119 103 A 13 LYS H A 13 LYS HGy 1.0 . 4.14 120 104 A 13 LYS H A 13 LYS HBx 1.0 . 3.63 121 105 A 13 LYS H A 13 LYS HBy 1.0 . 3.63 122 106 A 13 LYS H A 13 LYS HEx 1.0 . 5.50 123 107 A 13 LYS H A 13 LYS HEy 1.0 . 5.50 124 108 A 13 LYS H A 9 ILE HA 1.0 . 4.87 125 109 A 13 LYS H A 15 SER H 1.0 . 4.71 126 110 A 13 LYS H A 12 MET H 1.0 . 3.14 127 111 A 13 LYS H A 14 CYS H 1.0 . 3.36 128 112 A 18 HIS H A 17 CYS HBy 1.0 . 4.46 129 113 A 75 ILE H A 75 ILE HG2% 1.0 . 4.66 130 114 A 18 HIS H A 18 HIS HBx 1.0 . 3.89 131 115 A 75 ILE HD1% A 75 ILE H 1.0 . 4.70 132 116 A 18 HIS H A 18 HIS HBy 1.0 . 4.02 133 117 A 75 ILE H A 75 ILE HB 1.0 . 3.64 134 118 A 75 ILE H A 74 TYR HBx 1.0 . 3.71 135 119 A 75 ILE H A 74 TYR HBy 1.0 . 3.94 136 120 A 75 ILE H A 72 LYS HA 1.0 . 4.35 137 121 A 15 SER HA A 18 HIS H 1.0 . 4.04 138 122 A 75 ILE H A 74 TYR H 1.0 . 3.37 139 123 A 31 ASN HD2x A 22 LYS HA 1.0 . 4.72 140 124 A 31 ASN HD2y A 24 GLY HAx 1.0 . 4.81 141 125 A 31 ASN HD2y A 24 GLY HAy 1.0 . 4.81 142 126 A 31 ASN HA A 31 ASN HD2y 1.0 . 4.64 143 127 A 15 SER H A 14 CYS HBy 1.0 . 4.14 144 128 A 15 SER H A 14 CYS HBx 1.0 . 4.73 145 129 A 15 SER H A 11 ILE HA 1.0 . 4.49 146 130 A 15 SER H A 15 SER HBx 1.0 . 3.90 147 131 A 15 SER H A 15 SER HBy 1.0 . 3.90 148 132 A 15 SER H A 13 LYS HA 1.0 . 5.50 149 133 A 15 SER H A 14 CYS H 1.0 . 3.23 150 134 A 54 ASN H A 53 LYS HBx 1.0 . 3.47 151 134 A 53 LYS HBy A 54 ASN H 1.0 . 3.47 152 135 A 54 ASN H A 54 ASN HBx 1.0 . 3.13 153 135 A 54 ASN HBy A 54 ASN H 1.0 . 3.13 154 136 A 54 ASN H A 50 ALA HA 1.0 . 4.50 155 137 A 54 ASN H A 55 LYS H 1.0 . 3.45 156 138 A 34 GLY H A 102 THR HG2% 1.0 . 4.55 157 139 A 34 GLY H A 33 HIS HBx 1.0 . 4.85 158 139 A 34 GLY H A 33 HIS HBy 1.0 . 4.85 159 140 A 34 GLY H A 33 HIS HA 1.0 . 3.05 160 141 A 34 GLY H A 102 THR HB 1.0 . 3.93 161 142 A 62 ASP H A 61 GLU HBx 1.0 . 3.40 162 142 A 61 GLU HBy A 62 ASP H 1.0 . 3.40 163 143 A 62 ASP H A 61 GLU HGx 1.0 . 5.45 164 144 A 62 ASP H A 61 GLU HGy 1.0 . 5.45 165 145 A 62 ASP H A 62 ASP HBx 1.0 . 3.55 166 146 A 62 ASP H A 62 ASP HBy 1.0 . 3.55 167 147 A 62 ASP H A 61 GLU H 1.0 . 4.50 168 148 A 75 ILE HG2% A 78 THR H 1.0 . 4.06 169 149 A 75 ILE HB A 78 THR H 1.0 . 4.33 170 150 A 78 THR H A 77 GLY HAy 1.0 . 3.45 171 151 A 78 THR H A 78 THR HB 1.0 . 3.23 172 152 A 78 THR H A 77 GLY H 1.0 . 4.08 173 153 A 14 CYS H A 14 CYS HBy 1.0 . 3.98 174 154 A 14 CYS H A 13 LYS HGx 1.0 . 4.57 175 154 A 13 LYS HGy A 14 CYS H 1.0 . 4.57 176 155 A 14 CYS H A 13 LYS HBx 1.0 . 4.81 177 156 A 14 CYS H A 13 LYS HBy 1.0 . 4.81 178 157 A 15 SER HA A 14 CYS H 1.0 . 4.84 179 158 A 85 ILE HG2% A 90 GLU H 1.0 . 4.72 180 159 A 90 GLU H A 87 LYS HBx 1.0 . 4.39 181 160 A 90 GLU H A 89 GLU HBx 1.0 . 3.91 182 160 A 90 GLU H A 89 GLU HBy 1.0 . 3.91 183 161 A 90 GLU H A 90 GLU HGx 1.0 . 3.80 184 161 A 90 GLU H A 90 GLU HGy 1.0 . 3.80 185 162 A 90 GLU H A 88 LYS HA 1.0 . 4.83 186 163 A 90 GLU H A 91 ARG H 1.0 . 3.32 187 164 A 90 GLU H A 87 LYS H 1.0 . 5.42 188 165 A 100 LYS H A 100 LYS HGx 1.0 . 4.82 189 166 A 100 LYS H A 100 LYS HGy 1.0 . 4.82 190 167 A 100 LYS H A 99 LYS HBx 1.0 . 3.75 191 168 A 100 LYS H A 100 LYS HBx 1.0 . 3.11 192 168 A 100 LYS H A 100 LYS HBy 1.0 . 3.11 193 169 A 98 LEU HA A 100 LYS H 1.0 . 5.49 194 170 A 8 LYS H A 7 LYS HBx 1.0 . 4.08 195 171 A 8 LYS H A 7 LYS HDx 1.0 . 5.07 196 171 A 8 LYS H A 7 LYS HDy 1.0 . 5.07 197 172 A 8 LYS H A 7 LYS HBy 1.0 . 4.08 198 173 A 8 LYS H A 8 LYS HBx 1.0 . 3.14 199 173 A 8 LYS H A 8 LYS HBy 1.0 . 3.14 200 174 A 8 LYS H A 9 ILE H 1.0 . 3.57 201 175 A 66 GLU H A 66 GLU HBx 1.0 . 3.51 202 176 A 66 GLU H A 66 GLU HBy 1.0 . 3.51 203 177 A 66 GLU H A 66 GLU HGx 1.0 . 4.88 204 178 A 66 GLU H A 65 MET HBx 1.0 . 4.10 205 179 A 66 GLU H A 66 GLU HGy 1.0 . 4.88 206 180 A 66 GLU H A 65 MET HBy 1.0 . 4.10 207 181 A 66 GLU H A 64 LEU HA 1.0 . 4.42 208 182 A 35 LEU H A 102 THR HG2% 1.0 . 4.71 209 183 A 35 LEU HBy A 35 LEU H 1.0 . 3.56 210 184 A 35 LEU HBx A 35 LEU H 1.0 . 3.36 211 185 A 35 LEU H A 102 THR HB 1.0 . 4.67 212 186 A 35 LEU H A 34 GLY H 1.0 . 3.74 213 187 A 91 ARG H A 91 ARG HGx 1.0 . 4.45 214 188 A 91 ARG H A 91 ARG HGy 1.0 . 4.45 215 189 A 91 ARG H A 91 ARG HBx 1.0 . 3.81 216 190 A 91 ARG H A 90 GLU HBx 1.0 . 3.75 217 191 A 91 ARG H A 90 GLU HBy 1.0 . 3.75 218 192 A 91 ARG H A 91 ARG HBy 1.0 . 3.81 219 193 A 91 ARG H A 90 GLU HGx 1.0 . 4.68 220 193 A 90 GLU HGy A 91 ARG H 1.0 . 4.68 221 194 A 52 ASN H A 52 ASN HBx 1.0 . 3.68 222 195 A 52 ASN H A 52 ASN HBy 1.0 . 3.68 223 196 A 52 ASN H A 49 THR HB 1.0 . 4.27 224 197 A 52 ASN H A 51 ALA H 1.0 . 3.90 225 198 A 49 THR HG1 A 52 ASN H 1.0 . 3.61 226 199 A 12 MET H A 11 ILE HD1% 1.0 . 5.24 227 200 A 12 MET H A 11 ILE HB 1.0 . 3.53 228 201 A 12 MET H A 12 MET HBx 1.0 . 3.81 229 202 A 12 MET H A 12 MET HBy 1.0 . 3.81 230 203 A 12 MET H A 12 MET HGy 1.0 . 4.73 231 204 A 9 ILE HA A 12 MET H 1.0 . 4.42 232 205 A 12 MET H A 11 ILE H 1.0 . 3.72 233 206 A 51 ALA H A 51 ALA HB% 1.0 . 3.11 234 207 A 51 ALA H A 50 ALA HB% 1.0 . 3.30 235 208 A 49 THR HB A 51 ALA H 1.0 . 3.05 236 209 A 51 ALA H A 50 ALA H 1.0 . 3.69 237 210 A 89 GLU H A 88 LYS HGx 1.0 . 5.01 238 211 A 89 GLU H A 88 LYS HGy 1.0 . 5.01 239 212 A 89 GLU H A 88 LYS HDx 1.0 . 4.62 240 212 A 89 GLU H A 88 LYS HDy 1.0 . 4.62 241 213 A 89 GLU H A 88 LYS HBx 1.0 . 4.16 242 214 A 89 GLU H A 88 LYS HBy 1.0 . 4.16 243 215 A 89 GLU H A 89 GLU HBx 1.0 . 3.24 244 215 A 89 GLU HBy A 89 GLU H 1.0 . 3.24 245 216 A 89 GLU H A 89 GLU HGx 1.0 . 4.22 246 217 A 89 GLU H A 89 GLU HGy 1.0 . 4.22 247 218 A 90 GLU H A 89 GLU H 1.0 . 3.69 248 219 A 96 ALA HB% A 97 TYR H 1.0 . 3.61 249 220 A 97 TYR H A 98 LEU HG 1.0 . 4.65 250 221 A 97 TYR H A 97 TYR HBx 1.0 . 3.37 251 222 A 97 TYR H A 97 TYR HBy 1.0 . 3.39 252 223 A 100 LYS H A 97 TYR H 1.0 . 5.14 253 224 A 97 TYR H A 98 LEU H 1.0 . 3.41 254 225 A 103 ASN H A 103 ASN HBx 1.0 . 3.86 255 226 A 103 ASN H A 103 ASN HBy 1.0 . 3.86 256 227 A 102 THR H A 103 ASN H 1.0 . 3.49 257 228 A 19 THR HG2% A 25 LYS H 1.0 . 3.95 258 229 A 25 LYS H A 25 LYS HGx 1.0 . 3.60 259 230 A 25 LYS H A 25 LYS HGy 1.0 . 3.60 260 231 A 25 LYS H A 25 LYS HBx 1.0 . 3.87 261 232 A 25 LYS H A 25 LYS HBy 1.0 . 3.87 262 233 A 25 LYS H A 24 GLY HAx 1.0 . 3.63 263 234 A 25 LYS H A 24 GLY HAy 1.0 . 3.63 264 235 A 25 LYS H A 19 THR HB 1.0 . 4.85 265 236 A 57 ILE HG2% A 58 ILE H 1.0 . 3.80 266 237 A 58 ILE H A 58 ILE HG1x 1.0 . 4.07 267 238 A 58 ILE H A 58 ILE HG1y 1.0 . 4.07 268 239 A 58 ILE H A 58 ILE HB 1.0 . 3.27 269 240 A 58 ILE H A 57 ILE HB 1.0 . 3.21 270 241 A 58 ILE H A 57 ILE HA 1.0 . 3.08 271 242 A 73 LYS H A 73 LYS HGx 1.0 . 4.35 272 243 A 73 LYS H A 73 LYS HGy 1.0 . 4.35 273 244 A 73 LYS H A 72 LYS HBx 1.0 . 4.26 274 245 A 73 LYS H A 73 LYS HDx 1.0 . 4.31 275 245 A 73 LYS HDy A 73 LYS H 1.0 . 4.31 276 246 A 73 LYS H A 73 LYS HBy 1.0 . 3.72 277 247 A 73 LYS H A 72 LYS HBy 1.0 . 4.26 278 248 A 73 LYS H A 70 ASN HBx 1.0 . 4.16 279 248 A 70 ASN HBy A 73 LYS H 1.0 . 4.16 280 249 A 72 LYS H A 73 LYS H 1.0 . 3.44 281 250 A 75 ILE H A 73 LYS H 1.0 . 4.80 282 251 A 65 MET H A 95 ILE HD1% 1.0 . 3.81 283 252 A 65 MET H A 64 LEU HBy 1.0 . 4.22 284 253 A 64 LEU HG A 65 MET H 1.0 . 5.10 285 254 A 64 LEU HBx A 65 MET H 1.0 . 3.36 286 255 A 65 MET H A 65 MET HBx 1.0 . 3.57 287 256 A 65 MET H A 65 MET HBy 1.0 . 3.57 288 257 A 65 MET H A 65 MET HGx 1.0 . 4.71 289 258 A 65 MET H A 65 MET HGy 1.0 . 4.71 290 259 A 66 GLU H A 65 MET H 1.0 . 3.61 291 260 A 74 TYR H A 73 LYS HBx 1.0 . 3.62 292 261 A 74 TYR H A 73 LYS HBy 1.0 . 3.62 293 262 A 74 TYR HBx A 74 TYR H 1.0 . 3.64 294 263 A 74 TYR HBy A 74 TYR H 1.0 . 3.38 295 264 A 67 TYR HA A 74 TYR H 1.0 . 4.62 296 265 A 74 TYR H A 73 LYS H 1.0 . 3.20 297 266 A 69 GLU H A 69 GLU HBx 1.0 . 3.47 298 267 A 69 GLU H A 69 GLU HBy 1.0 . 3.47 299 268 A 69 GLU H A 69 GLU HGx 1.0 . 4.65 300 269 A 69 GLU H A 69 GLU HGy 1.0 . 4.65 301 270 A 69 GLU H A 91 ARG HDx 1.0 . 4.48 302 271 A 69 GLU H A 91 ARG HDy 1.0 . 4.48 303 272 A 53 LYS H A 53 LYS HBx 1.0 . 3.38 304 272 A 53 LYS HBy A 53 LYS H 1.0 . 3.38 305 273 A 53 LYS H A 53 LYS HDx 1.0 . 3.59 306 274 A 53 LYS H A 52 ASN HBx 1.0 . 4.20 307 275 A 53 LYS H A 52 ASN HBy 1.0 . 4.20 308 276 A 50 ALA HA A 53 LYS H 1.0 . 4.12 309 277 A 53 LYS H A 54 ASN HA 1.0 . 5.18 310 278 A 52 ASN H A 53 LYS H 1.0 . 3.67 311 279 A 54 ASN H A 53 LYS H 1.0 . 3.51 312 280 A 98 LEU H A 98 LEU HDx% 1.0 . 4.15 313 281 A 98 LEU H A 98 LEU HBy 1.0 . 3.81 314 282 A 98 LEU HG A 98 LEU H 1.0 . 3.22 315 283 A 98 LEU H A 98 LEU HBx 1.0 . 3.26 316 284 A 97 TYR HBx A 98 LEU H 1.0 . 4.05 317 285 A 97 TYR HBy A 98 LEU H 1.0 . 3.74 318 286 A 100 LYS H A 98 LEU H 1.0 . 4.60 319 287 A 98 LEU H A 97 TYR HDy 1.0 . 5.33 320 288 A 98 LEU H A 99 LYS H 1.0 . 2.83 321 289 A 9 ILE HD1% A 9 ILE H 1.0 . 3.91 322 290 A 9 ILE HG2% A 9 ILE H 1.0 . 3.73 323 291 A 9 ILE H A 9 ILE HG1x 1.0 . 3.73 324 292 A 9 ILE H A 9 ILE HG1y 1.0 . 3.14 325 293 A 9 ILE H A 8 LYS HBx 1.0 . 3.24 326 293 A 8 LYS HBy A 9 ILE H 1.0 . 3.24 327 294 A 9 ILE H A 9 ILE HB 1.0 . 3.33 328 295 A 9 ILE H A 6 GLY HAx 1.0 . 4.96 329 296 A 9 ILE H A 6 GLY HAy 1.0 . 4.96 330 297 A 33 HIS H A 33 HIS HBx 1.0 . 3.18 331 297 A 33 HIS HBy A 33 HIS H 1.0 . 3.18 332 298 A 101 ALA H A 100 LYS HBx 1.0 . 3.47 333 298 A 101 ALA H A 100 LYS HBy 1.0 . 3.47 334 299 A 98 LEU HA A 101 ALA H 1.0 . 4.30 335 300 A 101 ALA H A 97 TYR HA 1.0 . 4.63 336 301 A 101 ALA H A 100 LYS H 1.0 . 3.31 337 302 A 69 GLU HA A 91 ARG HE 1.0 . 4.93 338 303 A 46 TYR H A 46 TYR HBx 1.0 . 3.78 339 304 A 46 TYR H A 46 TYR HBy 1.0 . 3.78 340 305 A 85 ILE HG2% A 92 ALA H 1.0 . 5.28 341 306 A 92 ALA H A 91 ARG HBx 1.0 . 4.23 342 307 A 92 ALA H A 91 ARG HBy 1.0 . 4.23 343 308 A 90 GLU H A 92 ALA H 1.0 . 4.64 344 309 A 91 ARG H A 92 ALA H 1.0 . 3.48 345 310 A 92 ALA H A 93 ASP H 1.0 . 3.53 346 311 A 95 ILE HD1% A 95 ILE H 1.0 . 3.85 347 312 A 95 ILE H A 95 ILE HG1x 1.0 . 3.66 348 313 A 95 ILE H A 94 LEU HDy% 1.0 . 5.02 349 314 A 95 ILE H A 94 LEU HDx% 1.0 . 5.02 350 315 A 95 ILE H A 94 LEU HBx 1.0 . 4.18 351 316 A 95 ILE H A 95 ILE HG1y 1.0 . 3.04 352 317 A 95 ILE H A 95 ILE HB 1.0 . 3.01 353 318 A 95 ILE H A 94 LEU HBy 1.0 . 3.83 354 319 A 87 LYS H A 87 LYS HGx 1.0 . 4.10 355 320 A 87 LYS H A 86 LYS HDx 1.0 . 3.86 356 320 A 87 LYS H A 86 LYS HDy 1.0 . 3.86 357 321 A 87 LYS H A 87 LYS HGy 1.0 . 4.10 358 322 A 87 LYS H A 87 LYS HDx 1.0 . 3.45 359 322 A 87 LYS H A 87 LYS HDy 1.0 . 3.45 360 323 A 87 LYS H A 87 LYS HBx 1.0 . 3.64 361 324 A 87 LYS H A 86 LYS HBx 1.0 . 3.26 362 324 A 87 LYS H A 86 LYS HBy 1.0 . 3.26 363 325 A 87 LYS H A 87 LYS HBy 1.0 . 3.64 364 326 A 87 LYS H A 87 LYS HEx 1.0 . 4.95 365 326 A 87 LYS H A 87 LYS HEy 1.0 . 4.95 366 327 A 67 TYR H A 66 GLU HBx 1.0 . 3.98 367 328 A 67 TYR H A 66 GLU HBy 1.0 . 3.98 368 329 A 67 TYR HBy A 67 TYR H 1.0 . 3.42 369 330 A 67 TYR H A 67 TYR HBx 1.0 . 3.43 370 331 A 67 TYR H A 64 LEU HA 1.0 . 3.95 371 332 A 67 TYR H A 74 TYR HE% 1.0 . 4.79 372 333 A 67 TYR H A 59 TRP HZ3 1.0 . 4.58 373 334 A 67 TYR H A 66 GLU H 1.0 . 3.43 374 335 A 4 GLU H A 3 VAL HGx% 1.0 . 4.31 375 336 A 4 GLU H A 4 GLU HBy 1.0 . 3.69 376 337 A 4 GLU H A 4 GLU HGx 1.0 . 4.08 377 337 A 4 GLU H A 4 GLU HGy 1.0 . 4.08 378 338 A 16 GLN HBx A 16 GLN H 1.0 . 3.68 379 339 A 16 GLN HBy A 16 GLN H 1.0 . 3.68 380 340 A 16 GLN H A 16 GLN HGx 1.0 . 4.65 381 341 A 18 HIS H A 16 GLN H 1.0 . 4.57 382 342 A 17 CYS H A 16 GLN H 1.0 . 3.78 383 343 A 15 SER H A 16 GLN H 1.0 . 4.17 384 344 A 61 GLU H A 61 GLU HGx 1.0 . 5.03 385 345 A 61 GLU H A 61 GLU HGy 1.0 . 5.03 386 346 A 85 ILE H A 85 ILE HD1% 1.0 . 4.65 387 347 A 85 ILE HG2% A 85 ILE H 1.0 . 4.19 388 348 A 85 ILE H A 85 ILE HG1x 1.0 . 4.49 389 349 A 85 ILE H A 85 ILE HB 1.0 . 3.63 390 350 A 85 ILE H A 85 ILE HG1y 1.0 . 4.49 391 351 A 85 ILE H A 84 GLY HAx 1.0 . 3.46 392 352 A 85 ILE H A 84 GLY HAy 1.0 . 3.46 393 353 A 85 ILE H A 82 PHE HE% 1.0 . 4.89 394 354 A 32 LEU H A 32 LEU HDy% 1.0 . 4.53 395 355 A 32 LEU H A 32 LEU HDx% 1.0 . 5.04 396 356 A 32 LEU H A 32 LEU HG 1.0 . 3.68 397 357 A 32 LEU H A 31 ASN HBx 1.0 . 4.98 398 358 A 32 LEU H A 31 ASN HBy 1.0 . 4.98 399 359 A 32 LEU H A 20 VAL HA 1.0 . 3.77 400 360 A 31 ASN HA A 32 LEU H 1.0 . 3.16 401 361 A 33 HIS H A 32 LEU H 1.0 . 3.75 402 362 A 9 ILE HD1% A 10 PHE H 1.0 . 4.41 403 363 A 9 ILE HG1x A 10 PHE H 1.0 . 5.07 404 364 A 9 ILE HG1y A 10 PHE H 1.0 . 4.23 405 365 A 9 ILE HB A 10 PHE H 1.0 . 3.71 406 366 A 10 PHE H A 10 PHE HBx 1.0 . 3.54 407 367 A 10 PHE H A 10 PHE HBy 1.0 . 3.54 408 368 A 97 TYR HBy A 10 PHE H 1.0 . 5.50 409 369 A 8 LYS H A 10 PHE H 1.0 . 5.15 410 370 A 9 ILE H A 10 PHE H 1.0 . 3.66 411 371 A 5 LYS H A 5 LYS HGx 1.0 . 4.19 412 372 A 5 LYS H A 5 LYS HGy 1.0 . 4.19 413 373 A 5 LYS H A 5 LYS HDx 1.0 . 4.02 414 373 A 5 LYS H A 5 LYS HDy 1.0 . 4.02 415 374 A 5 LYS H A 5 LYS HBx 1.0 . 3.36 416 374 A 5 LYS HBy A 5 LYS H 1.0 . 3.36 417 375 A 5 LYS H A 4 GLU HBx 1.0 . 3.94 418 376 A 5 LYS H A 4 GLU HBy 1.0 . 3.94 419 377 A 5 LYS H A 4 GLU HGx 1.0 . 4.55 420 377 A 5 LYS H A 4 GLU HGy 1.0 . 4.55 421 378 A 5 LYS H A 2 ASP HBy 1.0 . 4.77 422 379 A 38 ARG HE A 38 ARG HGx 1.0 . 4.19 423 380 A 38 ARG HE A 38 ARG HGy 1.0 . 4.19 424 381 A 11 ILE HD1% A 11 ILE H 1.0 . 3.96 425 382 A 11 ILE H A 11 ILE HG2% 1.0 . 3.96 426 383 A 11 ILE H A 11 ILE HG1x 1.0 . 4.01 427 384 A 11 ILE H A 11 ILE HG1y 1.0 . 4.01 428 385 A 11 ILE HB A 11 ILE H 1.0 . 3.11 429 386 A 11 ILE H A 10 PHE HBx 1.0 . 4.06 430 387 A 11 ILE H A 10 PHE HBy 1.0 . 4.06 431 388 A 11 ILE H A 8 LYS HA 1.0 . 4.16 432 389 A 94 LEU H A 94 LEU HDy% 1.0 . 4.29 433 390 A 94 LEU H A 94 LEU HDx% 1.0 . 4.29 434 391 A 94 LEU HBx A 94 LEU H 1.0 . 3.36 435 392 A 94 LEU HBy A 94 LEU H 1.0 . 3.31 436 393 A 94 LEU H A 93 ASP HBx 1.0 . 3.55 437 393 A 93 ASP HBy A 94 LEU H 1.0 . 3.55 438 394 A 94 LEU H A 91 ARG HA 1.0 . 4.29 439 395 A 95 ILE H A 94 LEU H 1.0 . 3.65 440 396 A 26 HIS H A 25 LYS HBx 1.0 . 4.14 441 397 A 26 HIS H A 25 LYS HDx 1.0 . 4.75 442 397 A 26 HIS H A 25 LYS HDy 1.0 . 4.75 443 398 A 26 HIS H A 25 LYS HBy 1.0 . 4.14 444 399 A 26 HIS H A 26 HIS HBx 1.0 . 3.95 445 400 A 26 HIS H A 25 LYS HA 1.0 . 3.15 446 401 A 64 LEU H A 64 LEU HDx% 1.0 . 4.45 447 402 A 64 LEU H A 64 LEU HBy 1.0 . 3.61 448 403 A 63 THR HG2% A 64 LEU H 1.0 . 4.26 449 404 A 64 LEU HG A 64 LEU H 1.0 . 4.04 450 405 A 64 LEU HBx A 64 LEU H 1.0 . 3.26 451 406 A 64 LEU H A 61 GLU HA 1.0 . 4.21 452 407 A 63 THR HB A 64 LEU H 1.0 . 4.22 453 408 A 64 LEU H A 66 GLU H 1.0 . 4.84 454 409 A 59 TRP HE3 A 64 LEU H 1.0 . 4.42 455 410 A 64 LEU H A 65 MET H 1.0 . 3.50 456 411 A 9 ILE HD1% A 93 ASP H 1.0 . 5.39 457 412 A 93 ASP H A 94 LEU HBx 1.0 . 4.75 458 413 A 93 ASP H A 95 ILE HB 1.0 . 5.50 459 414 A 93 ASP H A 94 LEU HBy 1.0 . 5.21 460 415 A 93 ASP H A 93 ASP HBx 1.0 . 3.26 461 415 A 93 ASP HBy A 93 ASP H 1.0 . 3.26 462 416 A 39 LYS H A 39 LYS HGx 1.0 . 4.03 463 416 A 39 LYS HGy A 39 LYS H 1.0 . 4.03 464 417 A 39 LYS H A 39 LYS HBx 1.0 . 3.96 465 418 A 39 LYS H A 39 LYS HBy 1.0 . 3.96 466 419 A 39 LYS H A 38 ARG HBx 1.0 . 4.23 467 420 A 39 LYS H A 38 ARG HBy 1.0 . 4.23 468 421 A 39 LYS H A 38 ARG HA 1.0 . 3.04 469 422 A 55 LYS H A 55 LYS HGx 1.0 . 4.04 470 422 A 55 LYS HGy A 55 LYS H 1.0 . 4.04 471 423 A 55 LYS H A 55 LYS HBx 1.0 . 3.63 472 424 A 55 LYS H A 55 LYS HBy 1.0 . 3.63 473 425 A 52 ASN HA A 55 LYS H 1.0 . 4.65 474 426 A 56 GLY H A 55 LYS H 1.0 . 4.09 475 427 A 79 LYS H A 79 LYS HGx 1.0 . 3.88 476 428 A 49 THR HG2% A 79 LYS H 1.0 . 3.43 477 429 A 79 LYS H A 79 LYS HGy 1.0 . 3.88 478 430 A 78 THR HB A 79 LYS H 1.0 . 5.04 479 431 A 79 LYS H A 78 THR HG1 1.0 . 3.72 480 432 A 49 THR HG1 A 79 LYS H 1.0 . 4.40 481 433 A 95 ILE HG1x A 96 ALA H 1.0 . 5.25 482 434 A 96 ALA H A 95 ILE HG2% 1.0 . 4.21 483 435 A 96 ALA HB% A 96 ALA H 1.0 . 3.15 484 436 A 95 ILE HG1y A 96 ALA H 1.0 . 4.56 485 437 A 95 ILE HB A 96 ALA H 1.0 . 3.66 486 438 A 96 ALA H A 93 ASP HA 1.0 . 4.19 487 439 A 95 ILE H A 96 ALA H 1.0 . 3.44 488 440 A 80 MET HE% A 82 PHE H 1.0 . 5.03 489 441 A 82 PHE H A 82 PHE HBy 1.0 . 3.92 490 442 A 82 PHE H A 81 ILE HD1% 1.0 . 3.99 491 443 A 82 PHE H A 81 ILE HG2% 1.0 . 3.84 492 444 A 82 PHE H A 81 ILE HB 1.0 . 4.66 493 445 A 82 PHE H A 82 PHE HBx 1.0 . 3.94 494 446 A 82 PHE H A 81 ILE HA 1.0 . 2.92 495 447 A 82 PHE H A 83 VAL H 1.0 . 4.48 496 448 A 82 PHE H A 81 ILE H 1.0 . 4.41 497 449 A 80 MET H A 80 MET HBy 1.0 . 3.84 498 450 A 80 MET H A 80 MET HBx 1.0 . 3.84 499 451 A 80 MET H A 79 LYS HGx 1.0 . 4.65 500 452 A 80 MET H A 79 LYS HGy 1.0 . 4.65 501 453 A 80 MET H A 78 THR HA 1.0 . 4.44 502 454 A 79 LYS H A 80 MET H 1.0 . 3.68 503 455 A 78 THR HG1 A 80 MET H 1.0 . 3.81 504 456 A 96 ALA HB% A 3 VAL H 1.0 . 4.91 505 457 A 3 VAL H A 3 VAL HB 1.0 . 3.70 506 458 A 97 TYR HA A 3 VAL H 1.0 . 5.19 507 459 A 3 VAL H A 2 ASP HA 1.0 . 2.97 508 460 A 4 GLU H A 3 VAL H 1.0 . 3.79 509 461 A 99 LYS H A 99 LYS HGx 1.0 . 4.76 510 462 A 99 LYS H A 99 LYS HGy 1.0 . 4.76 511 463 A 99 LYS H A 99 LYS HDx 1.0 . 3.24 512 464 A 99 LYS H A 99 LYS HBy 1.0 . 3.55 513 465 A 99 LYS H A 99 LYS HDy 1.0 . 3.24 514 466 A 98 LEU HBy A 99 LYS H 1.0 . 4.01 515 467 A 99 LYS HBx A 99 LYS H 1.0 . 3.38 516 468 A 98 LEU HG A 99 LYS H 1.0 . 4.49 517 469 A 98 LEU HBx A 99 LYS H 1.0 . 3.79 518 470 A 99 LYS H A 95 ILE HA 1.0 . 4.53 519 471 A 99 LYS H A 96 ALA HA 1.0 . 4.01 520 472 A 100 LYS H A 99 LYS H 1.0 . 3.43 521 473 A 99 LYS H A 36 PHE HZ 1.0 . 5.30 522 474 A 38 ARG H A 38 ARG HBx 1.0 . 3.89 523 475 A 38 ARG H A 38 ARG HBy 1.0 . 3.89 524 476 A 38 ARG H A 38 ARG HGy 1.0 . 4.52 525 477 A 36 PHE HA A 38 ARG H 1.0 . 3.97 526 478 A 37 GLY H A 38 ARG H 1.0 . 3.32 527 479 A 49 THR HG2% A 50 ALA H 1.0 . 4.48 528 480 A 49 THR HB A 50 ALA H 1.0 . 3.05 529 481 A 7 LYS H A 7 LYS HGx 1.0 . 5.15 530 482 A 7 LYS H A 7 LYS HGy 1.0 . 5.15 531 483 A 7 LYS H A 7 LYS HBx 1.0 . 3.38 532 484 A 7 LYS H A 7 LYS HDx 1.0 . 4.60 533 484 A 7 LYS H A 7 LYS HDy 1.0 . 4.60 534 485 A 7 LYS H A 7 LYS HBy 1.0 . 3.38 535 486 A 7 LYS H A 3 VAL HA 1.0 . 4.49 536 487 A 7 LYS H A 4 GLU HA 1.0 . 3.73 537 488 A 7 LYS H A 8 LYS H 1.0 . 3.51 538 489 A 31 ASN H A 31 ASN HBx 1.0 . 3.81 539 490 A 31 ASN H A 31 ASN HBy 1.0 . 3.81 540 491 A 31 ASN H A 26 HIS HA 1.0 . 4.28 541 492 A 104 GLU H A 104 GLU HBx 1.0 . 3.93 542 493 A 104 GLU H A 104 GLU HBy 1.0 . 3.93 543 494 A 103 ASN H A 104 GLU H 1.0 . 3.47 544 495 A 83 VAL H A 83 VAL HB 1.0 . 4.13 545 496 A 83 VAL H A 84 GLY H 1.0 . 3.66 546 497 A 48 TYR H A 48 TYR HBx 1.0 . 3.78 547 498 A 48 TYR H A 48 TYR HBy 1.0 . 3.78 548 499 A 48 TYR H A 47 SER HA 1.0 . 3.03 549 500 A 27 LYS H A 27 LYS HGx 1.0 . 4.15 550 500 A 27 LYS H A 27 LYS HGy 1.0 . 4.15 551 501 A 27 LYS H A 26 HIS HBy 1.0 . 4.65 552 502 A 26 HIS HBx A 27 LYS H 1.0 . 4.57 553 503 A 26 HIS HA A 27 LYS H 1.0 . 3.42 554 504 A 22 LYS H A 22 LYS HBx 1.0 . 3.46 555 505 A 22 LYS H A 22 LYS HBy 1.0 . 3.46 556 506 A 22 LYS H A 22 LYS HDx 1.0 . 4.56 557 506 A 22 LYS H A 22 LYS HDy 1.0 . 4.56 558 507 A 22 LYS H A 21 GLU HBx 1.0 . 3.57 559 507 A 21 GLU HBy A 22 LYS H 1.0 . 3.57 560 508 A 22 LYS H A 21 GLU HGx 1.0 . 4.50 561 508 A 21 GLU HGy A 22 LYS H 1.0 . 4.50 562 509 A 22 LYS H A 21 GLU HA 1.0 . 3.10 563 510 A 31 ASN HD2x A 22 LYS H 1.0 . 5.50 564 511 A 43 ALA H A 43 ALA HB% 1.0 . 3.31 565 512 A 43 ALA H A 48 TYR HEy 1.0 . 3.64 566 513 A 43 ALA H A 42 GLN H 1.0 . 3.82 567 514 A 43 ALA H A 48 TYR HH 1.0 . 3.90 568 515 A 40 THR HA A 59 TRP HE1 1.0 . 3.29 569 516 A 52 ASN HD2x A 59 TRP HE1 1.0 . 4.43 570 517 A 86 LYS H A 87 LYS HDx 1.0 . 5.50 571 517 A 87 LYS HDy A 86 LYS H 1.0 . 5.50 572 518 A 81 ILE H A 80 MET HBy 1.0 . 5.37 573 519 A 81 ILE H A 80 MET HGy 1.0 . 4.93 574 520 A 81 ILE H A 80 MET HBx 1.0 . 5.37 575 521 A 81 ILE H A 80 MET HGx 1.0 . 4.93 576 522 A 81 ILE H A 81 ILE HG1x 1.0 . 4.12 577 523 A 81 ILE H A 81 ILE HG1y 1.0 . 4.12 578 524 A 81 ILE HB A 81 ILE H 1.0 . 3.56 579 525 A 81 ILE H A 80 MET HA 1.0 . 3.17 580 526 A 81 ILE H A 80 MET H 1.0 . 5.50 581 527 A 59 TRP H A 57 ILE HD1% 1.0 . 4.50 582 528 A 59 TRP H A 59 TRP HBx 1.0 . 3.96 583 529 A 59 TRP H A 59 TRP HBy 1.0 . 3.96 584 530 A 58 ILE HA A 59 TRP H 1.0 . 2.98 585 531 A 40 THR H A 59 TRP H 1.0 . 5.15 586 532 A 59 TRP H A 58 ILE H 1.0 . 4.92 587 533 A 81 ILE HD1% A 81 ILE HG2% 1.0 . 2.40 588 534 A 81 ILE HD1% A 81 ILE HA 1.0 . 3.47 589 535 A 81 ILE HD1% A 79 LYS HA 1.0 . 4.32 590 536 A 81 ILE HD1% A 81 ILE H 1.0 . 4.11 591 537 A 58 ILE HG2% A 58 ILE HD1% 1.0 . 2.40 592 538 A 58 ILE HD1% A 39 LYS HGx 1.0 . 3.43 593 538 A 39 LYS HGy A 58 ILE HD1% 1.0 . 3.43 594 539 A 58 ILE HB A 58 ILE HD1% 1.0 . 3.46 595 540 A 58 ILE HA A 58 ILE HD1% 1.0 . 3.74 596 541 A 39 LYS H A 58 ILE HD1% 1.0 . 4.50 597 542 A 58 ILE H A 58 ILE HD1% 1.0 . 4.68 598 543 A 75 ILE HD1% A 75 ILE HG2% 1.0 . 3.11 599 544 A 75 ILE HD1% A 75 ILE HB 1.0 . 3.17 600 545 A 75 ILE HD1% A 52 ASN HA 1.0 . 3.51 601 546 A 75 ILE HD1% A 74 TYR HE% 1.0 . 4.94 602 547 A 75 ILE HD1% A 59 TRP HZ2 1.0 . 4.16 603 548 A 75 ILE HD1% A 52 ASN HD2x 1.0 . 4.38 604 549 A 11 ILE HD1% A 11 ILE HG2% 1.0 . 2.40 605 550 A 11 ILE HD1% A 11 ILE HB 1.0 . 3.46 606 551 A 11 ILE HD1% A 8 LYS HA 1.0 . 3.77 607 552 A 8 LYS H A 11 ILE HD1% 1.0 . 4.75 608 553 A 57 ILE HG2% A 57 ILE HD1% 1.0 . 3.79 609 554 A 40 THR HG2% A 57 ILE HD1% 1.0 . 3.01 610 555 A 57 ILE HB A 57 ILE HD1% 1.0 . 3.43 611 556 A 58 ILE HA A 57 ILE HD1% 1.0 . 4.81 612 557 A 63 THR HB A 57 ILE HD1% 1.0 . 3.41 613 558 A 63 THR HG1 A 57 ILE HD1% 1.0 . 4.28 614 559 A 59 TRP HA A 57 ILE HD1% 1.0 . 3.96 615 560 A 57 ILE H A 57 ILE HD1% 1.0 . 4.32 616 561 A 40 THR H A 57 ILE HD1% 1.0 . 4.56 617 562 A 58 ILE H A 57 ILE HD1% 1.0 . 4.08 618 563 A 85 ILE HD1% A 85 ILE HB 1.0 . 2.79 619 564 A 94 LEU HBy A 85 ILE HD1% 1.0 . 4.07 620 565 A 85 ILE HD1% A 91 ARG HA 1.0 . 4.05 621 566 A 85 ILE HD1% A 82 PHE HZ 1.0 . 3.95 622 567 A 85 ILE HD1% A 82 PHE HE% 1.0 . 4.09 623 568 A 9 ILE HD1% A 9 ILE HB 1.0 . 3.15 624 569 A 9 ILE HD1% A 93 ASP HBx 1.0 . 3.78 625 569 A 9 ILE HD1% A 93 ASP HBy 1.0 . 3.78 626 570 A 9 ILE HD1% A 94 LEU HA 1.0 . 3.46 627 571 A 9 ILE HD1% A 10 PHE HD% 1.0 . 5.50 628 572 A 9 ILE HD1% A 94 LEU H 1.0 . 3.98 629 573 A 95 ILE HD1% A 95 ILE HG2% 1.0 . 2.88 630 574 A 95 ILE HD1% A 95 ILE HB 1.0 . 2.83 631 575 A 95 ILE HD1% A 95 ILE HA 1.0 . 4.29 632 576 A 95 ILE HD1% A 65 MET HA 1.0 . 3.20 633 577 A 80 MET HE% A 80 MET HGy 1.0 . 3.57 634 578 A 80 MET HE% A 80 MET HGx 1.0 . 3.57 635 579 A 80 MET HE% A 71 PRO HGx 1.0 . 3.46 636 580 A 80 MET HE% A 82 PHE HBy 1.0 . 3.14 637 581 A 80 MET HE% A 71 PRO HGy 1.0 . 3.46 638 582 A 80 MET HE% A 82 PHE HBx 1.0 . 3.35 639 583 A 80 MET HE% A 68 LEU HA 1.0 . 4.00 640 584 A 80 MET HE% A 71 PRO HA 1.0 . 4.59 641 585 A 80 MET HE% A 82 PHE HD% 1.0 . 3.45 642 586 A 95 ILE HD1% A 65 MET HE% 1.0 . 3.63 643 587 A 65 MET HE% A 88 LYS HGx 1.0 . 3.07 644 588 A 65 MET HE% A 88 LYS HGy 1.0 . 3.07 645 589 A 65 MET HE% A 92 ALA HB% 1.0 . 3.23 646 590 A 88 LYS HA A 65 MET HE% 1.0 . 4.07 647 591 A 65 MET HA A 65 MET HE% 1.0 . 3.76 648 592 A 91 ARG HE A 65 MET HE% 1.0 . 4.44 649 593 A 65 MET H A 65 MET HE% 1.0 . 4.82 650 594 A 92 ALA H A 65 MET HE% 1.0 . 3.62 651 595 A 9 ILE HA A 12 MET HE% 1.0 . 4.84 652 596 A 12 MET HE% A 12 MET HA 1.0 . 4.87 653 597 A 12 MET H A 12 MET HE% 1.0 . 4.78 654 598 A 13 LYS H A 12 MET HE% 1.0 . 5.39 655 599 A 11 ILE HA A 11 ILE HG2% 1.0 . 3.59 656 600 A 12 MET H A 11 ILE HG2% 1.0 . 4.01 657 601 A 58 ILE HA A 58 ILE HG2% 1.0 . 3.36 658 602 A 38 ARG HA A 58 ILE HG2% 1.0 . 4.56 659 603 A 39 LYS HA A 58 ILE HG2% 1.0 . 4.12 660 604 A 39 LYS H A 58 ILE HG2% 1.0 . 5.13 661 605 A 58 ILE H A 58 ILE HG2% 1.0 . 5.29 662 606 A 38 ARG H A 58 ILE HG2% 1.0 . 4.23 663 607 A 59 TRP H A 58 ILE HG2% 1.0 . 3.56 664 608 A 37 GLY H A 58 ILE HG2% 1.0 . 3.78 665 609 A 81 ILE HG2% A 81 ILE HG1x 1.0 . 3.78 666 610 A 81 ILE HG2% A 81 ILE HG1y 1.0 . 3.78 667 611 A 81 ILE HG2% A 81 ILE HA 1.0 . 3.25 668 612 A 81 ILE HG2% A 81 ILE H 1.0 . 4.18 669 613 A 49 THR HB A 50 ALA HB% 1.0 . 4.32 670 614 A 50 ALA HB% A 50 ALA H 1.0 . 3.29 671 615 A 96 ALA HB% A 3 VAL HA 1.0 . 4.63 672 616 A 96 ALA HB% A 97 TYR HBy 1.0 . 5.15 673 617 A 96 ALA HB% A 93 ASP HA 1.0 . 3.85 674 618 A 88 LYS HA A 92 ALA HB% 1.0 . 4.69 675 619 A 93 ASP H A 92 ALA HB% 1.0 . 3.49 676 620 A 92 ALA H A 92 ALA HB% 1.0 . 3.15 677 621 A 77 GLY HAy A 51 ALA HB% 1.0 . 3.54 678 622 A 51 ALA HB% A 78 THR HA 1.0 . 3.94 679 623 A 49 THR HB A 51 ALA HB% 1.0 . 3.94 680 624 A 78 THR H A 51 ALA HB% 1.0 . 4.37 681 625 A 52 ASN H A 51 ALA HB% 1.0 . 3.53 682 626 A 49 THR HG1 A 51 ALA HB% 1.0 . 4.14 683 627 A 95 ILE HG1y A 95 ILE HG2% 1.0 . 3.37 684 628 A 95 ILE HG2% A 61 GLU HBx 1.0 . 3.95 685 628 A 61 GLU HBy A 95 ILE HG2% 1.0 . 3.95 686 629 A 95 ILE HG2% A 61 GLU HGy 1.0 . 3.97 687 630 A 95 ILE HG2% A 95 ILE HA 1.0 . 3.62 688 631 A 61 GLU HA A 95 ILE HG2% 1.0 . 3.20 689 632 A 95 ILE HG2% A 36 PHE HE% 1.0 . 4.06 690 633 A 95 ILE HG2% A 36 PHE HZ 1.0 . 3.60 691 634 A 95 ILE H A 95 ILE HG2% 1.0 . 4.00 692 635 A 20 VAL HA A 20 VAL HGy% 1.0 . 4.16 693 636 A 19 THR HA A 20 VAL HGy% 1.0 . 4.59 694 637 A 20 VAL H A 20 VAL HGy% 1.0 . 3.82 695 638 A 43 ALA HB% A 46 TYR HBy 1.0 . 4.70 696 639 A 43 ALA HB% A 44 PRO HDx 1.0 . 4.03 697 640 A 43 ALA HB% A 44 PRO HDy 1.0 . 4.03 698 641 A 43 ALA HB% A 38 ARG HH2% 1.0 . 4.31 699 642 A 43 ALA HB% A 48 TYR HH 1.0 . 4.48 700 643 A 75 ILE HG2% A 51 ALA HB% 1.0 . 3.30 701 644 A 75 ILE HG2% A 52 ASN HBx 1.0 . 4.70 702 645 A 75 ILE HG2% A 52 ASN HBy 1.0 . 4.70 703 646 A 75 ILE HG2% A 75 ILE HA 1.0 . 3.16 704 647 A 52 ASN HA A 75 ILE HG2% 1.0 . 2.93 705 648 A 75 ILE HG2% A 78 THR HA 1.0 . 4.33 706 649 A 75 ILE HG2% A 55 LYS H 1.0 . 4.41 707 650 A 75 ILE HG2% A 52 ASN H 1.0 . 4.20 708 651 A 85 ILE HG2% A 85 ILE HG1x 1.0 . 3.59 709 652 A 85 ILE HG2% A 90 GLU HBx 1.0 . 3.28 710 653 A 85 ILE HG2% A 90 GLU HBy 1.0 . 3.28 711 654 A 85 ILE HG2% A 90 GLU HGx 1.0 . 4.04 712 654 A 85 ILE HG2% A 90 GLU HGy 1.0 . 4.04 713 655 A 85 ILE HG2% A 85 ILE HA 1.0 . 3.40 714 656 A 85 ILE HG2% A 91 ARG H 1.0 . 3.92 715 657 A 85 ILE HG2% A 87 LYS H 1.0 . 3.56 716 658 A 20 VAL HB A 101 ALA HB% 1.0 . 4.10 717 659 A 101 ALA HB% A 100 LYS HBx 1.0 . 4.35 718 659 A 100 LYS HBy A 101 ALA HB% 1.0 . 4.35 719 660 A 98 LEU HBx A 101 ALA HB% 1.0 . 4.96 720 661 A 101 ALA HB% A 102 THR HA 1.0 . 4.17 721 662 A 103 ASN H A 101 ALA HB% 1.0 . 4.61 722 663 A 97 TYR HDy A 101 ALA HB% 1.0 . 4.35 723 664 A 102 THR H A 101 ALA HB% 1.0 . 3.87 724 665 A 101 ALA H A 101 ALA HB% 1.0 . 3.08 725 666 A 9 ILE HG2% A 94 LEU HBx 1.0 . 3.55 726 667 A 9 ILE HG2% A 9 ILE HG1y 1.0 . 3.28 727 668 A 9 ILE HG2% A 13 LYS HBx 1.0 . 4.14 728 669 A 9 ILE HG2% A 13 LYS HBy 1.0 . 4.14 729 670 A 9 ILE HG2% A 13 LYS HEx 1.0 . 4.67 730 671 A 9 ILE HG2% A 9 ILE HA 1.0 . 3.31 731 672 A 9 ILE HG2% A 10 PHE H 1.0 . 4.27 732 673 A 78 THR HG2% A 80 MET HBy 1.0 . 4.69 733 674 A 78 THR HG2% A 80 MET HBx 1.0 . 4.69 734 675 A 75 ILE HB A 78 THR HG2% 1.0 . 3.90 735 676 A 80 MET HA A 78 THR HG2% 1.0 . 5.22 736 677 A 72 LYS HA A 78 THR HG2% 1.0 . 3.47 737 678 A 78 THR HA A 78 THR HG2% 1.0 . 3.95 738 679 A 80 MET H A 78 THR HG2% 1.0 . 3.60 739 680 A 78 THR H A 78 THR HG2% 1.0 . 3.20 740 681 A 83 VAL H A 83 VAL HGy% 1.0 . 4.01 741 682 A 83 VAL H A 83 VAL HGx% 1.0 . 4.01 742 683 A 32 LEU HDy% A 35 LEU HDx% 1.0 . 4.54 743 684 A 32 LEU HDy% A 32 LEU HBx 1.0 . 3.76 744 685 A 32 LEU HDy% A 32 LEU HBy 1.0 . 3.76 745 686 A 32 LEU HDy% A 32 LEU HA 1.0 . 3.14 746 687 A 35 LEU H A 32 LEU HDy% 1.0 . 5.50 747 688 A 48 TYR HEx A 32 LEU HDy% 1.0 . 5.50 748 689 A 32 LEU HDy% A 18 HIS HD1 1.0 . 3.94 749 690 A 19 THR HG2% A 24 GLY HAx 1.0 . 5.11 750 691 A 19 THR HG2% A 19 THR HA 1.0 . 2.90 751 692 A 19 THR HG2% A 20 VAL H 1.0 . 4.15 752 693 A 4 GLU H A 3 VAL HGy% 1.0 . 4.31 753 694 A 3 VAL H A 3 VAL HGy% 1.0 . 3.73 754 695 A 68 LEU HDy% A 68 LEU HBy 1.0 . 4.18 755 696 A 68 LEU H A 68 LEU HDy% 1.0 . 4.23 756 697 A 3 VAL H A 3 VAL HGx% 1.0 . 3.73 757 698 A 20 VAL HA A 20 VAL HGx% 1.0 . 4.16 758 699 A 20 VAL H A 20 VAL HGx% 1.0 . 3.82 759 700 A 63 THR HG2% A 57 ILE HG2% 1.0 . 4.03 760 701 A 57 ILE HG2% A 55 LYS HEy 1.0 . 4.29 761 702 A 57 ILE HG2% A 57 ILE HA 1.0 . 3.27 762 703 A 57 ILE H A 57 ILE HG2% 1.0 . 3.95 763 704 A 102 THR HG2% A 20 VAL HGx% 1.0 . 4.93 764 705 A 102 THR HG2% A 20 VAL HGy% 1.0 . 4.93 765 706 A 102 THR HG2% A 101 ALA HB% 1.0 . 4.19 766 707 A 102 THR HG2% A 98 LEU HDy% 1.0 . 3.75 767 708 A 102 THR HG2% A 20 VAL HB 1.0 . 4.21 768 709 A 102 THR HG2% A 98 LEU HG 1.0 . 5.01 769 710 A 98 LEU HA A 102 THR HG2% 1.0 . 3.85 770 711 A 102 THR HG2% A 33 HIS HA 1.0 . 4.82 771 712 A 102 THR HG2% A 20 VAL HA 1.0 . 5.39 772 713 A 102 THR HG2% A 101 ALA HA 1.0 . 5.50 773 714 A 102 THR HG2% A 102 THR HA 1.0 . 3.46 774 715 A 102 THR HG2% A 103 ASN HA 1.0 . 4.02 775 716 A 102 THR HG2% A 103 ASN H 1.0 . 4.20 776 717 A 102 THR H A 102 THR HG2% 1.0 . 3.44 777 718 A 101 ALA H A 102 THR HG2% 1.0 . 4.47 778 719 A 49 THR HG2% A 49 THR HA 1.0 . 3.21 779 720 A 49 THR HG2% A 51 ALA H 1.0 . 4.31 780 721 A 49 THR HG2% A 52 ASN H 1.0 . 4.77 781 722 A 49 THR HG2% A 49 THR HG1 1.0 . 3.28 782 723 A 28 THR HG2% A 28 THR HA 1.0 . 3.43 783 724 A 29 GLY H A 28 THR HG2% 1.0 . 4.35 784 725 A 32 LEU HDx% A 98 LEU HDy% 1.0 . 3.62 785 726 A 98 LEU HBy A 98 LEU HDy% 1.0 . 3.42 786 727 A 98 LEU HBx A 98 LEU HDy% 1.0 . 3.54 787 728 A 98 LEU HA A 98 LEU HDy% 1.0 . 3.02 788 729 A 98 LEU HDy% A 10 PHE HZ 1.0 . 4.78 789 730 A 98 LEU HDy% A 10 PHE HEy 1.0 . 3.77 790 731 A 98 LEU H A 98 LEU HDy% 1.0 . 4.01 791 732 A 40 THR HG2% A 55 LYS HBx 1.0 . 4.43 792 733 A 40 THR HG2% A 59 TRP HE1 1.0 . 3.68 793 734 A 40 THR HG2% A 55 LYS HBy 1.0 . 4.43 794 735 A 40 THR HA A 40 THR HG2% 1.0 . 3.06 795 736 A 40 THR HG2% A 40 THR HG1 1.0 . 3.70 796 737 A 40 THR H A 40 THR HG2% 1.0 . 3.22 797 738 A 32 LEU HDx% A 32 LEU HBx 1.0 . 4.16 798 739 A 32 LEU HDx% A 10 PHE HEy 1.0 . 4.74 799 740 A 63 THR HG2% A 57 ILE HD1% 1.0 . 3.62 800 741 A 63 THR HG2% A 57 ILE HB 1.0 . 3.62 801 742 A 63 THR HG2% A 62 ASP HBx 1.0 . 4.52 802 743 A 63 THR HG2% A 62 ASP HBy 1.0 . 4.52 803 744 A 63 THR HG2% A 63 THR HA 1.0 . 3.11 804 745 A 63 THR HG2% A 63 THR HG1 1.0 . 3.09 805 746 A 63 THR HG2% A 59 TRP HA 1.0 . 4.37 806 747 A 63 THR HG2% A 58 ILE H 1.0 . 4.30 807 748 A 63 THR HG2% A 63 THR H 1.0 . 3.31 808 749 A 63 THR HG2% A 59 TRP H 1.0 . 4.64 809 750 A 9 ILE HG2% A 94 LEU HDx% 1.0 . 3.48 810 751 A 94 LEU HBy A 94 LEU HDx% 1.0 . 3.83 811 752 A 94 LEU HA A 94 LEU HDx% 1.0 . 3.92 812 753 A 98 LEU HDx% A 64 LEU HDy% 1.0 . 4.43 813 754 A 64 LEU HBy A 64 LEU HDy% 1.0 . 3.81 814 755 A 64 LEU HBx A 64 LEU HDy% 1.0 . 3.89 815 756 A 36 PHE HE% A 64 LEU HDy% 1.0 . 4.51 816 757 A 64 LEU H A 64 LEU HDy% 1.0 . 4.45 817 758 A 35 LEU HBx A 35 LEU HDx% 1.0 . 3.67 818 759 A 35 LEU H A 35 LEU HDx% 1.0 . 4.74 819 760 A 73 LYS HGx A 73 LYS HEx 1.0 . 4.16 820 760 A 73 LYS HEy A 73 LYS HGx 1.0 . 4.16 821 761 A 73 LYS HEy A 73 LYS HGy 1.0 . 4.16 822 761 A 73 LYS HEx A 73 LYS HGy 1.0 . 4.16 823 762 A 88 LYS HDy A 88 LYS HGx 1.0 . 3.04 824 762 A 88 LYS HGx A 88 LYS HDx 1.0 . 3.04 825 763 A 33 HIS H A 32 LEU HG 1.0 . 5.25 826 764 A 32 LEU HG A 18 HIS HD1 1.0 . 4.45 827 765 A 8 LYS H A 8 LYS HGx 1.0 . 4.61 828 766 A 8 LYS H A 8 LYS HGy 1.0 . 4.61 829 767 A 53 LYS HGx A 48 TYR HBx 1.0 . 4.95 830 768 A 48 TYR HBx A 53 LYS HGy 1.0 . 4.95 831 769 A 53 LYS HGx A 48 TYR HBy 1.0 . 4.95 832 770 A 48 TYR HBy A 53 LYS HGy 1.0 . 4.95 833 771 A 87 LYS HEy A 87 LYS HGy 1.0 . 4.08 834 771 A 87 LYS HEx A 87 LYS HGy 1.0 . 4.08 835 772 A 98 LEU HDx% A 98 LEU HBx 1.0 . 3.80 836 773 A 98 LEU HDx% A 95 ILE HA 1.0 . 4.41 837 774 A 98 LEU HDx% A 99 LYS H 1.0 . 4.79 838 775 A 38 ARG H A 38 ARG HGx 1.0 . 4.52 839 776 A 98 LEU HG A 97 TYR HBy 1.0 . 4.18 840 777 A 57 ILE HG2% A 57 ILE HG1x 1.0 . 3.94 841 778 A 57 ILE HG2% A 57 ILE HG1y 1.0 . 3.94 842 779 A 57 ILE H A 57 ILE HG1x 1.0 . 3.88 843 780 A 32 LEU HDy% A 35 LEU HDy% 1.0 . 4.54 844 781 A 35 LEU HBy A 35 LEU HDy% 1.0 . 4.08 845 782 A 35 LEU HBx A 35 LEU HDy% 1.0 . 3.67 846 783 A 35 LEU H A 35 LEU HDy% 1.0 . 4.74 847 784 A 85 ILE HG2% A 85 ILE HG1y 1.0 . 3.59 848 785 A 98 LEU HDx% A 64 LEU HDx% 1.0 . 4.43 849 786 A 64 LEU HBy A 64 LEU HDx% 1.0 . 3.81 850 787 A 64 LEU HBx A 64 LEU HDx% 1.0 . 3.89 851 788 A 43 ALA HA A 44 PRO HGy 1.0 . 4.79 852 789 A 39 LYS HA A 58 ILE HG1y 1.0 . 5.35 853 790 A 9 ILE HG2% A 9 ILE HG1x 1.0 . 3.01 854 791 A 86 LYS HBx A 86 LYS HDx 1.0 . 3.39 855 791 A 86 LYS HBy A 86 LYS HDx 1.0 . 3.39 856 791 A 86 LYS HDy A 86 LYS HBx 1.0 . 3.39 857 791 A 86 LYS HDy A 86 LYS HBy 1.0 . 3.39 858 792 A 4 GLU H A 4 GLU HBx 1.0 . 3.69 859 793 A 25 LYS HA A 25 LYS HDx 1.0 . 4.56 860 793 A 25 LYS HDy A 25 LYS HA 1.0 . 4.56 861 794 A 25 LYS H A 25 LYS HDx 1.0 . 4.48 862 794 A 25 LYS H A 25 LYS HDy 1.0 . 4.48 863 795 A 11 ILE HG2% A 11 ILE HG1x 1.0 . 3.63 864 796 A 11 ILE HG2% A 11 ILE HG1y 1.0 . 3.63 865 797 A 9 ILE HG2% A 94 LEU HDy% 1.0 . 3.48 866 798 A 22 LYS HDy A 22 LYS HBy 1.0 . 3.93 867 798 A 22 LYS HBy A 22 LYS HDx 1.0 . 3.93 868 799 A 90 GLU H A 87 LYS HDx 1.0 . 5.40 869 799 A 90 GLU H A 87 LYS HDy 1.0 . 5.40 870 800 A 8 LYS H A 8 LYS HDx 1.0 . 4.77 871 800 A 8 LYS H A 8 LYS HDy 1.0 . 4.77 872 801 A 53 LYS HDy A 54 ASN HBx 1.0 . 5.39 873 801 A 54 ASN HBy A 53 LYS HDy 1.0 . 5.39 874 802 A 53 LYS HDx A 53 LYS HA 1.0 . 4.88 875 803 A 54 ASN H A 53 LYS HDy 1.0 . 4.51 876 804 A 54 ASN H A 53 LYS HDx 1.0 . 5.07 877 805 A 72 LYS H A 72 LYS HDx 1.0 . 4.75 878 805 A 72 LYS H A 72 LYS HDy 1.0 . 4.75 879 806 A 88 LYS HDx A 88 LYS HGy 1.0 . 3.04 880 806 A 88 LYS HDy A 88 LYS HGy 1.0 . 3.04 881 807 A 99 LYS HBx A 99 LYS HDx 1.0 . 3.24 882 808 A 99 LYS HBx A 99 LYS HDy 1.0 . 3.24 883 809 A 40 THR H A 39 LYS HDx 1.0 . 4.72 884 809 A 40 THR H A 39 LYS HDy 1.0 . 4.72 885 810 A 36 PHE HE% A 61 GLU HBx 1.0 . 5.50 886 810 A 61 GLU HBy A 36 PHE HE% 1.0 . 5.50 887 811 A 63 THR HA A 66 GLU HBy 1.0 . 4.06 888 812 A 72 LYS H A 71 PRO HBy 1.0 . 4.62 889 813 A 38 ARG HDy A 42 GLN HBx 1.0 . 4.80 890 813 A 42 GLN HBx A 38 ARG HDx 1.0 . 4.80 891 814 A 38 ARG HDy A 42 GLN HBy 1.0 . 4.80 892 814 A 38 ARG HDx A 42 GLN HBy 1.0 . 4.80 893 815 A 26 HIS HBy A 30 PRO HA 1.0 . 4.66 894 816 A 56 GLY H A 55 LYS HBx 1.0 . 4.74 895 817 A 56 GLY H A 55 LYS HBy 1.0 . 4.74 896 818 A 27 LYS HEy A 27 LYS HBy 1.0 . 3.64 897 818 A 27 LYS HBy A 27 LYS HEx 1.0 . 3.64 898 819 A 22 LYS HDy A 22 LYS HBx 1.0 . 3.93 899 819 A 22 LYS HBx A 22 LYS HDx 1.0 . 3.93 900 820 A 12 MET H A 12 MET HGx 1.0 . 4.73 901 821 A 8 LYS HBy A 8 LYS HDx 1.0 . 3.59 902 821 A 8 LYS HBx A 8 LYS HDx 1.0 . 3.59 903 821 A 8 LYS HDy A 8 LYS HBx 1.0 . 3.59 904 821 A 8 LYS HBy A 8 LYS HDy 1.0 . 3.59 905 822 A 95 ILE HG1x A 95 ILE HG2% 1.0 . 3.82 906 823 A 95 ILE HG1y A 95 ILE HB 1.0 . 2.49 907 824 A 65 MET H A 95 ILE HG1x 1.0 . 5.50 908 825 A 99 LYS HBy A 96 ALA HA 1.0 . 4.74 909 826 A 99 LYS HBx A 96 ALA HA 1.0 . 4.44 910 827 A 100 LYS H A 99 LYS HBy 1.0 . 4.53 911 828 A 97 TYR HDy A 3 VAL HB 1.0 . 5.10 912 829 A 4 GLU H A 3 VAL HB 1.0 . 4.40 913 830 A 18 HIS HBx A 32 LEU HDx% 1.0 . 4.76 914 831 A 18 HIS HBy A 32 LEU HDx% 1.0 . 4.65 915 832 A 18 HIS HBy A 32 LEU HG 1.0 . 4.49 916 833 A 19 THR H A 18 HIS HBy 1.0 . 5.01 917 834 A 5 LYS HBy A 2 ASP HBy 1.0 . 4.22 918 834 A 2 ASP HBy A 5 LYS HBx 1.0 . 4.22 919 835 A 90 GLU H A 87 LYS HBy 1.0 . 4.39 920 836 A 73 LYS HBx A 70 ASN HBx 1.0 . 3.85 921 836 A 70 ASN HBy A 73 LYS HBx 1.0 . 3.85 922 837 A 73 LYS H A 73 LYS HBx 1.0 . 3.72 923 838 A 17 CYS H A 16 GLN HGy 1.0 . 4.89 924 839 A 16 GLN H A 16 GLN HGy 1.0 . 4.65 925 840 A 13 LYS H A 12 MET HBx 1.0 . 4.77 926 841 A 13 LYS H A 12 MET HBy 1.0 . 4.77 927 842 A 42 GLN HGy A 39 LYS HBy 1.0 . 4.72 928 842 A 39 LYS HBy A 42 GLN HGx 1.0 . 4.72 929 843 A 42 GLN HGy A 39 LYS HBx 1.0 . 4.72 930 843 A 39 LYS HBx A 42 GLN HGx 1.0 . 4.72 931 844 A 38 ARG HDy A 42 GLN HGx 1.0 . 4.78 932 844 A 38 ARG HDx A 42 GLN HGx 1.0 . 4.78 933 844 A 42 GLN HGy A 38 ARG HDx 1.0 . 4.78 934 844 A 38 ARG HDy A 42 GLN HGy 1.0 . 4.78 935 845 A 42 GLN H A 42 GLN HGx 1.0 . 4.01 936 845 A 42 GLN H A 42 GLN HGy 1.0 . 4.01 937 846 A 81 ILE HD1% A 81 ILE HB 1.0 . 3.91 938 847 A 21 GLU HBx A 21 GLU HGx 1.0 . 3.01 939 847 A 21 GLU HBy A 21 GLU HGx 1.0 . 3.01 940 847 A 21 GLU HGy A 21 GLU HBx 1.0 . 3.01 941 847 A 21 GLU HBy A 21 GLU HGy 1.0 . 3.01 942 848 A 24 GLY HAy A 21 GLU HGx 1.0 . 4.51 943 848 A 21 GLU HGy A 24 GLY HAy 1.0 . 4.51 944 849 A 21 GLU H A 21 GLU HGx 1.0 . 4.60 945 849 A 21 GLU HGy A 21 GLU H 1.0 . 4.60 946 850 A 4 GLU HGy A 4 GLU HBx 1.0 . 2.76 947 850 A 4 GLU HBx A 4 GLU HGx 1.0 . 2.76 948 851 A 4 GLU HGy A 4 GLU HBy 1.0 . 2.76 949 851 A 4 GLU HBy A 4 GLU HGx 1.0 . 2.76 950 852 A 104 GLU HGy A 104 GLU HBx 1.0 . 2.99 951 852 A 104 GLU HBx A 104 GLU HGx 1.0 . 2.99 952 853 A 104 GLU HGy A 104 GLU HBy 1.0 . 2.99 953 853 A 104 GLU HBy A 104 GLU HGx 1.0 . 2.99 954 854 A 101 ALA HA A 104 GLU HGx 1.0 . 4.02 955 854 A 101 ALA HA A 104 GLU HGy 1.0 . 4.02 956 855 A 104 GLU H A 104 GLU HGx 1.0 . 3.91 957 855 A 104 GLU H A 104 GLU HGy 1.0 . 3.91 958 856 A 70 ASN HBy A 69 GLU HGy 1.0 . 4.58 959 856 A 69 GLU HGy A 70 ASN HBx 1.0 . 4.58 960 857 A 70 ASN H A 69 GLU HGy 1.0 . 4.80 961 858 A 36 PHE H A 36 PHE HBx 1.0 . 3.84 962 859 A 14 CYS HBx A 10 PHE HA 1.0 . 5.10 963 860 A 14 CYS HBx A 10 PHE HEy 1.0 . 4.92 964 861 A 14 CYS H A 14 CYS HBx 1.0 . 4.07 965 862 A 9 ILE HD1% A 90 GLU HGx 1.0 . 4.02 966 862 A 9 ILE HD1% A 90 GLU HGy 1.0 . 4.02 967 863 A 70 ASN HBy A 73 LYS HDx 1.0 . 4.60 968 863 A 70 ASN HBx A 73 LYS HDx 1.0 . 4.60 969 863 A 73 LYS HDy A 70 ASN HBx 1.0 . 4.60 970 863 A 70 ASN HBy A 73 LYS HDy 1.0 . 4.60 971 864 A 70 ASN HBy A 73 LYS HBy 1.0 . 3.85 972 864 A 70 ASN HBx A 73 LYS HBy 1.0 . 3.85 973 865 A 70 ASN HBy A 69 GLU HGx 1.0 . 4.58 974 865 A 69 GLU HGx A 70 ASN HBx 1.0 . 4.58 975 866 A 97 TYR HBy A 7 LYS HA 1.0 . 4.95 976 867 A 7 LYS H A 97 TYR HBx 1.0 . 3.82 977 868 A 7 LYS H A 97 TYR HBy 1.0 . 4.59 978 869 A 95 ILE HG2% A 61 GLU HGx 1.0 . 3.97 979 870 A 61 GLU HBy A 61 GLU HGx 1.0 . 2.95 980 870 A 61 GLU HBx A 61 GLU HGx 1.0 . 2.95 981 871 A 61 GLU HGy A 61 GLU HBx 1.0 . 2.95 982 871 A 61 GLU HBy A 61 GLU HGy 1.0 . 2.95 983 872 A 61 GLU HA A 61 GLU HGy 1.0 . 3.90 984 873 A 11 ILE HB A 8 LYS HA 1.0 . 4.04 985 874 A 54 ASN HD2x A 54 ASN HBx 1.0 . 4.06 986 874 A 54 ASN HBy A 54 ASN HD2x 1.0 . 4.06 987 875 A 55 LYS H A 54 ASN HBx 1.0 . 3.64 988 875 A 54 ASN HBy A 55 LYS H 1.0 . 3.64 989 876 A 58 ILE HB A 57 ILE HA 1.0 . 4.94 990 877 A 17 CYS HBx A 29 GLY HAx 1.0 . 5.11 991 878 A 28 THR HB A 17 CYS HBy 1.0 . 4.31 992 879 A 28 THR HB A 17 CYS HBx 1.0 . 4.31 993 880 A 18 HIS H A 17 CYS HBx 1.0 . 4.46 994 881 A 43 ALA HB% A 46 TYR HBx 1.0 . 4.70 995 882 A 75 ILE HB A 74 TYR HBy 1.0 . 4.52 996 883 A 49 THR H A 52 ASN HBx 1.0 . 4.77 997 884 A 5 LYS HBy A 93 ASP HBx 1.0 . 4.17 998 884 A 5 LYS HBx A 93 ASP HBx 1.0 . 4.17 999 884 A 93 ASP HBy A 5 LYS HBx 1.0 . 4.17 1000 884 A 5 LYS HBy A 93 ASP HBy 1.0 . 4.17 1001 885 A 64 LEU HA A 67 TYR HBx 1.0 . 4.16 1002 886 A 67 TYR HBx A 74 TYR HD% 1.0 . 4.55 1003 887 A 68 LEU H A 67 TYR HBx 1.0 . 3.85 1004 888 A 82 PHE HBy A 80 MET HGy 1.0 . 4.67 1005 889 A 82 PHE HBx A 80 MET HGy 1.0 . 4.62 1006 890 A 82 PHE HBy A 80 MET HGx 1.0 . 4.67 1007 891 A 82 PHE HBx A 80 MET HGx 1.0 . 4.62 1008 892 A 17 CYS HBy A 29 GLY HAx 1.0 . 5.11 1009 893 A 17 CYS HBy A 29 GLY HAy 1.0 . 5.11 1010 894 A 29 GLY HAy A 17 CYS HBx 1.0 . 5.11 1011 895 A 57 ILE HG2% A 55 LYS HEx 1.0 . 4.29 1012 896 A 55 LYS HGy A 55 LYS HEx 1.0 . 3.90 1013 896 A 55 LYS HEx A 55 LYS HGx 1.0 . 3.90 1014 897 A 55 LYS HGy A 55 LYS HEy 1.0 . 3.90 1015 897 A 55 LYS HEy A 55 LYS HGx 1.0 . 3.90 1016 898 A 74 TYR HD% A 55 LYS HEx 1.0 . 4.95 1017 899 A 27 LYS HEy A 27 LYS HBx 1.0 . 3.64 1018 899 A 27 LYS HBx A 27 LYS HEx 1.0 . 3.64 1019 900 A 27 LYS HEx A 27 LYS HGx 1.0 . 3.72 1020 900 A 27 LYS HEy A 27 LYS HGx 1.0 . 3.72 1021 900 A 27 LYS HGy A 27 LYS HEx 1.0 . 3.72 1022 900 A 27 LYS HGy A 27 LYS HEy 1.0 . 3.72 1023 901 A 68 LEU HDy% A 68 LEU HBx 1.0 . 4.18 1024 902 A 68 LEU HBx A 68 LEU HDx% 1.0 . 4.18 1025 903 A 68 LEU HBy A 68 LEU HDx% 1.0 . 4.18 1026 904 A 58 ILE HD1% A 39 LYS HEx 1.0 . 4.10 1027 904 A 58 ILE HD1% A 39 LYS HEy 1.0 . 4.10 1028 905 A 39 LYS HEy A 39 LYS HGx 1.0 . 3.28 1029 905 A 39 LYS HEx A 39 LYS HGx 1.0 . 3.28 1030 905 A 39 LYS HGy A 39 LYS HEx 1.0 . 3.28 1031 905 A 39 LYS HGy A 39 LYS HEy 1.0 . 3.28 1032 906 A 39 LYS HDy A 39 LYS HEx 1.0 . 2.95 1033 906 A 39 LYS HDx A 39 LYS HEx 1.0 . 2.95 1034 906 A 39 LYS HEy A 39 LYS HDx 1.0 . 2.95 1035 906 A 39 LYS HDy A 39 LYS HEy 1.0 . 2.95 1036 907 A 39 LYS H A 39 LYS HEx 1.0 . 5.33 1037 907 A 39 LYS H A 39 LYS HEy 1.0 . 5.33 1038 908 A 72 LYS HGx A 72 LYS HEx 1.0 . 4.05 1039 908 A 72 LYS HEy A 72 LYS HGx 1.0 . 4.05 1040 909 A 72 LYS HEy A 72 LYS HGy 1.0 . 4.05 1041 909 A 72 LYS HEx A 72 LYS HGy 1.0 . 4.05 1042 910 A 9 ILE HD1% A 94 LEU HBx 1.0 . 4.13 1043 911 A 9 ILE HD1% A 94 LEU HBy 1.0 . 5.29 1044 912 A 98 LEU HDx% A 94 LEU HBy 1.0 . 5.50 1045 913 A 94 LEU HBy A 94 LEU HDy% 1.0 . 3.83 1046 914 A 22 LYS HGx A 22 LYS HEx 1.0 . 3.97 1047 914 A 22 LYS HEy A 22 LYS HGx 1.0 . 3.97 1048 915 A 22 LYS HEy A 22 LYS HGy 1.0 . 3.97 1049 915 A 22 LYS HEx A 22 LYS HGy 1.0 . 3.97 1050 916 A 99 LYS HEy A 99 LYS HGx 1.0 . 3.90 1051 916 A 99 LYS HGx A 99 LYS HEx 1.0 . 3.90 1052 917 A 99 LYS HEx A 99 LYS HGy 1.0 . 3.90 1053 917 A 99 LYS HEy A 99 LYS HGy 1.0 . 3.90 1054 918 A 7 LYS HEy A 7 LYS HGx 1.0 . 4.01 1055 918 A 7 LYS HGx A 7 LYS HEx 1.0 . 4.01 1056 919 A 7 LYS HEx A 7 LYS HGy 1.0 . 4.01 1057 919 A 7 LYS HEy A 7 LYS HGy 1.0 . 4.01 1058 920 A 8 LYS HDx A 8 LYS HEx 1.0 . 2.96 1059 920 A 8 LYS HDy A 8 LYS HEx 1.0 . 2.96 1060 920 A 8 LYS HEy A 8 LYS HDx 1.0 . 2.96 1061 920 A 8 LYS HDy A 8 LYS HEy 1.0 . 2.96 1062 921 A 87 LYS HEy A 87 LYS HGx 1.0 . 4.08 1063 921 A 87 LYS HGx A 87 LYS HEx 1.0 . 4.08 1064 922 A 98 LEU HDx% A 98 LEU HBy 1.0 . 4.14 1065 923 A 5 LYS HEy A 5 LYS HGx 1.0 . 3.60 1066 923 A 5 LYS HGx A 5 LYS HEx 1.0 . 3.60 1067 924 A 5 LYS HEy A 5 LYS HGy 1.0 . 3.60 1068 924 A 5 LYS HEx A 5 LYS HGy 1.0 . 3.60 1069 925 A 86 LYS HGx A 86 LYS HEx 1.0 . 4.00 1070 926 A 86 LYS HGx A 86 LYS HEy 1.0 . 4.00 1071 927 A 86 LYS HEx A 86 LYS HGy 1.0 . 4.00 1072 928 A 86 LYS HEy A 86 LYS HGy 1.0 . 4.00 1073 929 A 9 ILE HG2% A 13 LYS HEy 1.0 . 4.67 1074 930 A 13 LYS HGy A 13 LYS HEx 1.0 . 3.42 1075 930 A 13 LYS HEx A 13 LYS HGx 1.0 . 3.42 1076 931 A 13 LYS HGy A 13 LYS HEy 1.0 . 3.42 1077 931 A 13 LYS HEy A 13 LYS HGx 1.0 . 3.42 1078 932 A 5 LYS HBy A 2 ASP HBx 1.0 . 4.22 1079 932 A 2 ASP HBx A 5 LYS HBx 1.0 . 4.22 1080 933 A 5 LYS H A 2 ASP HBx 1.0 . 4.77 1081 934 A 64 LEU HBx A 95 ILE HD1% 1.0 . 4.19 1082 935 A 64 LEU HBy A 95 ILE HG1x 1.0 . 3.91 1083 936 A 64 LEU HBx A 95 ILE HG1x 1.0 . 4.40 1084 937 A 64 LEU HBx A 61 GLU HA 1.0 . 4.69 1085 938 A 64 LEU HBy A 65 MET HA 1.0 . 4.41 1086 939 A 49 THR HG2% A 79 LYS HEx 1.0 . 3.74 1087 940 A 49 THR HG2% A 79 LYS HEy 1.0 . 3.74 1088 941 A 82 PHE HE% A 84 GLY HAx 1.0 . 4.54 1089 942 A 96 ALA HB% A 1 GLY HAx 1.0 . 3.84 1090 943 A 96 ALA HB% A 1 GLY HAy 1.0 . 3.84 1091 944 A 93 ASP HA A 1 GLY HAy 1.0 . 3.95 1092 945 A 32 LEU HDx% A 32 LEU HBy 1.0 . 4.16 1093 946 A 85 ILE HG2% A 91 ARG HDx 1.0 . 4.53 1094 947 A 69 GLU HA A 91 ARG HDy 1.0 . 4.41 1095 948 A 65 MET HA A 91 ARG HDx 1.0 . 4.71 1096 949 A 85 ILE HG2% A 91 ARG HDy 1.0 . 4.53 1097 950 A 19 THR HG2% A 24 GLY HAy 1.0 . 5.11 1098 951 A 21 GLU HGx A 24 GLY HAx 1.0 . 4.51 1099 951 A 21 GLU HGy A 24 GLY HAx 1.0 . 4.51 1100 952 A 19 THR HB A 24 GLY HAx 1.0 . 4.64 1101 953 A 19 THR HB A 24 GLY HAy 1.0 . 4.64 1102 954 A 31 ASN HD2x A 24 GLY HAx 1.0 . 4.74 1103 955 A 31 ASN HD2x A 24 GLY HAy 1.0 . 4.74 1104 956 A 35 LEU HBy A 35 LEU HDx% 1.0 . 4.08 1105 957 A 35 LEU HBy A 32 LEU HA 1.0 . 5.23 1106 958 A 51 ALA HB% A 77 GLY HAx 1.0 . 4.24 1107 959 A 49 THR HB A 77 GLY HAx 1.0 . 5.50 1108 960 A 77 GLY HAy A 49 THR HB 1.0 . 4.62 1109 961 A 38 ARG HDy A 38 ARG HBx 1.0 . 4.14 1110 961 A 38 ARG HBx A 38 ARG HDx 1.0 . 4.14 1111 962 A 38 ARG HDy A 38 ARG HBy 1.0 . 4.14 1112 962 A 38 ARG HBy A 38 ARG HDx 1.0 . 4.14 1113 963 A 38 ARG HH2% A 38 ARG HDx 1.0 . 3.64 1114 963 A 38 ARG HH2% A 38 ARG HDy 1.0 . 3.64 1115 964 A 5 LYS HBy A 6 GLY HAx 1.0 . 5.21 1116 964 A 5 LYS HBx A 6 GLY HAx 1.0 . 5.21 1117 965 A 94 LEU HBx A 6 GLY HAx 1.0 . 5.50 1118 966 A 6 GLY HAy A 5 LYS HBx 1.0 . 5.21 1119 966 A 5 LYS HBy A 6 GLY HAy 1.0 . 5.21 1120 967 A 94 LEU HBx A 6 GLY HAy 1.0 . 5.50 1121 968 A 9 ILE HB A 6 GLY HAx 1.0 . 4.74 1122 969 A 9 ILE HB A 6 GLY HAy 1.0 . 4.74 1123 970 A 93 ASP HBy A 6 GLY HAx 1.0 . 4.65 1124 970 A 6 GLY HAx A 93 ASP HBx 1.0 . 4.65 1125 971 A 93 ASP HBy A 6 GLY HAy 1.0 . 4.65 1126 971 A 6 GLY HAy A 93 ASP HBx 1.0 . 4.65 1127 972 A 41 GLY HAy A 53 LYS HBx 1.0 . 4.72 1128 972 A 41 GLY HAy A 53 LYS HBy 1.0 . 4.72 1129 973 A 41 GLY HAy A 53 LYS HDx 1.0 . 5.31 1130 974 A 41 GLY HAx A 53 LYS HBx 1.0 . 5.50 1131 974 A 53 LYS HBy A 41 GLY HAx 1.0 . 5.50 1132 975 A 53 LYS HDx A 41 GLY HAx 1.0 . 5.50 1133 976 A 53 LYS HA A 41 GLY HAx 1.0 . 5.50 1134 977 A 41 GLY HAy A 40 THR HB 1.0 . 4.89 1135 978 A 41 GLY HAy A 40 THR HA 1.0 . 4.89 1136 979 A 41 GLY HAy A 48 TYR HDx 1.0 . 5.15 1137 980 A 75 ILE HA A 76 PRO HDy 1.0 . 3.68 1138 981 A 70 ASN HA A 71 PRO HDx 1.0 . 3.52 1139 982 A 70 ASN HA A 71 PRO HDy 1.0 . 3.52 1140 983 A 43 ALA HA A 44 PRO HGx 1.0 . 4.79 1141 984 A 43 ALA HA A 44 PRO HDx 1.0 . 3.27 1142 985 A 43 ALA HA A 44 PRO HDy 1.0 . 3.27 1143 986 A 38 ARG HH2% A 43 ALA HA 1.0 . 5.04 1144 987 A 4 GLU H A 2 ASP HA 1.0 . 4.81 1145 988 A 5 LYS H A 2 ASP HA 1.0 . 5.50 1146 989 A 32 LEU HDx% A 32 LEU HA 1.0 . 4.54 1147 990 A 35 LEU HBx A 32 LEU HA 1.0 . 4.66 1148 991 A 38 ARG HH2% A 32 LEU HA 1.0 . 5.30 1149 992 A 54 ASN HA A 53 LYS HBx 1.0 . 4.59 1150 992 A 53 LYS HBy A 54 ASN HA 1.0 . 4.59 1151 993 A 19 THR H A 18 HIS HA 1.0 . 3.18 1152 994 A 18 HIS HD1 A 18 HIS HA 1.0 . 4.01 1153 995 A 17 CYS HA A 27 LYS HBx 1.0 . 5.05 1154 996 A 17 CYS HA A 27 LYS HGx 1.0 . 5.25 1155 996 A 27 LYS HGy A 17 CYS HA 1.0 . 5.25 1156 997 A 17 CYS HA A 27 LYS HBy 1.0 . 5.05 1157 998 A 17 CYS HA A 27 LYS HEx 1.0 . 5.28 1158 998 A 27 LYS HEy A 17 CYS HA 1.0 . 5.28 1159 999 A 29 GLY H A 17 CYS HA 1.0 . 4.46 1160 1000 A 101 ALA HA A 100 LYS HBx 1.0 . 4.74 1161 1000 A 100 LYS HBy A 101 ALA HA 1.0 . 4.74 1162 1001 A 103 ASN H A 101 ALA HA 1.0 . 4.71 1163 1002 A 104 GLU H A 101 ALA HA 1.0 . 4.79 1164 1003 A 31 ASN HA A 32 LEU HG 1.0 . 4.38 1165 1004 A 31 ASN HA A 18 HIS HBy 1.0 . 4.92 1166 1005 A 31 ASN HA A 30 PRO HA 1.0 . 4.80 1167 1006 A 31 ASN HD2x A 31 ASN HA 1.0 . 4.26 1168 1007 A 50 ALA HA A 53 LYS HDx 1.0 . 3.88 1169 1008 A 50 ALA HA A 53 LYS HEx 1.0 . 4.84 1170 1009 A 50 ALA HA A 53 LYS HEy 1.0 . 4.84 1171 1010 A 50 ALA HA A 51 ALA H 1.0 . 3.47 1172 1011 A 27 LYS HA A 27 LYS HGx 1.0 . 3.26 1173 1011 A 27 LYS HGy A 27 LYS HA 1.0 . 3.26 1174 1012 A 27 LYS HA A 27 LYS HEx 1.0 . 4.66 1175 1012 A 27 LYS HEy A 27 LYS HA 1.0 . 4.66 1176 1013 A 51 ALA HA A 54 ASN HBx 1.0 . 3.74 1177 1013 A 54 ASN HBy A 51 ALA HA 1.0 . 3.74 1178 1014 A 54 ASN H A 51 ALA HA 1.0 . 4.21 1179 1015 A 42 GLN HA A 42 GLN HGx 1.0 . 3.72 1180 1015 A 42 GLN HGy A 42 GLN HA 1.0 . 3.72 1181 1016 A 68 LEU HG A 68 LEU HA 1.0 . 4.21 1182 1017 A 95 ILE HD1% A 92 ALA HA 1.0 . 3.96 1183 1018 A 95 ILE HB A 92 ALA HA 1.0 . 3.73 1184 1019 A 95 ILE H A 92 ALA HA 1.0 . 4.13 1185 1020 A 25 LYS HA A 25 LYS HGx 1.0 . 4.05 1186 1021 A 25 LYS HA A 25 LYS HGy 1.0 . 4.05 1187 1022 A 26 HIS HBx A 25 LYS HA 1.0 . 4.85 1188 1023 A 39 LYS HA A 58 ILE HD1% 1.0 . 4.52 1189 1024 A 39 LYS HA A 40 THR HG2% 1.0 . 4.55 1190 1025 A 39 LYS HA A 58 ILE HG1x 1.0 . 5.35 1191 1026 A 39 LYS HA A 39 LYS HGx 1.0 . 3.78 1192 1026 A 39 LYS HGy A 39 LYS HA 1.0 . 3.78 1193 1027 A 58 ILE HA A 39 LYS HA 1.0 . 3.07 1194 1028 A 39 LYS HA A 59 TRP H 1.0 . 4.06 1195 1029 A 21 GLU HA A 22 LYS HBx 1.0 . 4.93 1196 1030 A 21 GLU HA A 22 LYS HBy 1.0 . 4.93 1197 1031 A 21 GLU HA A 21 GLU HGx 1.0 . 3.60 1198 1031 A 21 GLU HGy A 21 GLU HA 1.0 . 3.60 1199 1032 A 31 ASN HD2x A 21 GLU HA 1.0 . 5.50 1200 1033 A 20 VAL H A 21 GLU HA 1.0 . 5.16 1201 1034 A 82 PHE HD% A 82 PHE HA 1.0 . 3.81 1202 1035 A 87 LYS HA A 87 LYS HGx 1.0 . 4.13 1203 1036 A 87 LYS HA A 87 LYS HGy 1.0 . 4.13 1204 1037 A 62 ASP HA A 65 MET HBx 1.0 . 4.16 1205 1038 A 62 ASP HA A 65 MET HBy 1.0 . 4.16 1206 1039 A 65 MET H A 62 ASP HA 1.0 . 4.56 1207 1040 A 59 TRP HA A 58 ILE HG2% 1.0 . 4.55 1208 1041 A 59 TRP HA A 59 TRP HE3 1.0 . 3.75 1209 1042 A 73 LYS HA A 73 LYS HGx 1.0 . 3.77 1210 1043 A 73 LYS HA A 73 LYS HGy 1.0 . 3.77 1211 1044 A 73 LYS HA A 73 LYS HDx 1.0 . 3.68 1212 1044 A 73 LYS HDy A 73 LYS HA 1.0 . 3.68 1213 1045 A 46 TYR HA A 47 SER H 1.0 . 3.53 1214 1046 A 13 LYS HA A 13 LYS HGx 1.0 . 3.44 1215 1046 A 13 LYS HGy A 13 LYS HA 1.0 . 3.44 1216 1047 A 13 LYS HA A 13 LYS HDx 1.0 . 4.26 1217 1048 A 13 LYS HA A 13 LYS HDy 1.0 . 4.26 1218 1049 A 13 LYS HA A 82 PHE HE% 1.0 . 4.92 1219 1050 A 72 LYS HA A 72 LYS HDx 1.0 . 4.38 1220 1050 A 72 LYS HA A 72 LYS HDy 1.0 . 4.38 1221 1051 A 57 ILE HA A 57 ILE HD1% 1.0 . 4.67 1222 1052 A 55 LYS HA A 55 LYS HGx 1.0 . 3.64 1223 1052 A 55 LYS HGy A 55 LYS HA 1.0 . 3.64 1224 1053 A 98 LEU HA A 101 ALA HB% 1.0 . 3.74 1225 1054 A 98 LEU HA A 98 LEU HG 1.0 . 3.89 1226 1055 A 98 LEU HA A 97 TYR HDy 1.0 . 5.27 1227 1056 A 104 GLU HA A 104 GLU HGx 1.0 . 3.86 1228 1056 A 104 GLU HGy A 104 GLU HA 1.0 . 3.86 1229 1057 A 35 LEU HA A 35 LEU HDx% 1.0 . 4.10 1230 1058 A 35 LEU HA A 35 LEU HDy% 1.0 . 4.10 1231 1059 A 35 LEU HA A 35 LEU HG 1.0 . 4.13 1232 1060 A 35 LEU HA A 38 ARG HDx 1.0 . 4.31 1233 1060 A 38 ARG HDy A 35 LEU HA 1.0 . 4.31 1234 1061 A 38 ARG HH2% A 35 LEU HA 1.0 . 4.71 1235 1062 A 38 ARG HE A 35 LEU HA 1.0 . 4.69 1236 1063 A 38 ARG H A 35 LEU HA 1.0 . 5.50 1237 1064 A 100 LYS HA A 100 LYS HGx 1.0 . 4.11 1238 1065 A 100 LYS HA A 100 LYS HGy 1.0 . 4.11 1239 1066 A 100 LYS HA A 100 LYS HDx 1.0 . 2.99 1240 1067 A 100 LYS HA A 100 LYS HDy 1.0 . 2.99 1241 1068 A 100 LYS HA A 100 LYS HBx 1.0 . 2.84 1242 1068 A 100 LYS HBy A 100 LYS HA 1.0 . 2.84 1243 1069 A 22 LYS HA A 22 LYS HDx 1.0 . 4.37 1244 1069 A 22 LYS HA A 22 LYS HDy 1.0 . 4.37 1245 1070 A 22 LYS HA A 22 LYS HEx 1.0 . 4.46 1246 1070 A 22 LYS HA A 22 LYS HEy 1.0 . 4.46 1247 1071 A 24 GLY H A 22 LYS HA 1.0 . 4.69 1248 1072 A 65 MET HA A 65 MET HGx 1.0 . 4.20 1249 1073 A 65 MET HA A 65 MET HGy 1.0 . 4.20 1250 1074 A 65 MET HA A 91 ARG HDy 1.0 . 4.71 1251 1075 A 68 LEU H A 65 MET HA 1.0 . 4.38 1252 1076 A 16 GLN HA A 16 GLN HGx 1.0 . 3.96 1253 1077 A 16 GLN HA A 16 GLN HGy 1.0 . 3.96 1254 1078 A 93 ASP HA A 1 GLY HAx 1.0 . 3.95 1255 1079 A 6 GLY H A 94 LEU HA 1.0 . 4.48 1256 1080 A 93 ASP HA A 2 ASP H 1.0 . 4.09 1257 1081 A 66 GLU HA A 66 GLU HGx 1.0 . 3.72 1258 1082 A 66 GLU HA A 66 GLU HGy 1.0 . 3.72 1259 1083 A 52 ASN HA A 51 ALA HB% 1.0 . 4.50 1260 1084 A 94 LEU HA A 94 LEU HDy% 1.0 . 3.92 1261 1085 A 94 LEU HA A 94 LEU HG 1.0 . 3.69 1262 1086 A 90 GLU HA A 90 GLU HGx 1.0 . 3.08 1263 1086 A 90 GLU HGy A 90 GLU HA 1.0 . 3.08 1264 1087 A 97 TYR HBx A 94 LEU HA 1.0 . 5.07 1265 1088 A 95 ILE H A 93 ASP HA 1.0 . 4.45 1266 1089 A 64 LEU HG A 64 LEU HA 1.0 . 3.92 1267 1090 A 67 TYR HBy A 64 LEU HA 1.0 . 3.72 1268 1091 A 68 LEU H A 64 LEU HA 1.0 . 4.01 1269 1092 A 86 LYS HA A 86 LYS HGx 1.0 . 3.98 1270 1093 A 86 LYS HA A 86 LYS HGy 1.0 . 3.98 1271 1094 A 86 LYS HA A 86 LYS HDx 1.0 . 4.41 1272 1094 A 86 LYS HDy A 86 LYS HA 1.0 . 4.41 1273 1095 A 86 LYS HA A 86 LYS HBx 1.0 . 2.95 1274 1095 A 86 LYS HBy A 86 LYS HA 1.0 . 2.95 1275 1096 A 11 ILE HG2% A 12 MET HA 1.0 . 4.00 1276 1097 A 12 MET HA A 12 MET HGx 1.0 . 4.08 1277 1098 A 12 MET HA A 12 MET HGy 1.0 . 4.08 1278 1099 A 58 ILE HA A 39 LYS HGx 1.0 . 4.37 1279 1099 A 39 LYS HGy A 58 ILE HA 1.0 . 4.37 1280 1100 A 69 GLU HA A 69 GLU HGx 1.0 . 3.79 1281 1101 A 69 GLU HA A 69 GLU HGy 1.0 . 3.79 1282 1102 A 69 GLU HA A 91 ARG HDx 1.0 . 4.41 1283 1103 A 69 GLU HA A 85 ILE H 1.0 . 3.69 1284 1104 A 75 ILE HD1% A 75 ILE HA 1.0 . 4.36 1285 1105 A 75 ILE HA A 76 PRO HDx 1.0 . 3.68 1286 1106 A 19 THR HA A 20 VAL HGx% 1.0 . 4.59 1287 1107 A 19 THR HA A 21 GLU H 1.0 . 4.66 1288 1108 A 49 THR HG2% A 48 TYR HA 1.0 . 4.25 1289 1109 A 49 THR H A 48 TYR HA 1.0 . 3.26 1290 1110 A 48 TYR HA A 46 TYR HEx 1.0 . 5.44 1291 1111 A 49 THR HG1 A 48 TYR HA 1.0 . 5.50 1292 1112 A 4 GLU HA A 4 GLU HGx 1.0 . 3.76 1293 1112 A 4 GLU HGy A 4 GLU HA 1.0 . 3.76 1294 1113 A 3 VAL H A 4 GLU HA 1.0 . 5.15 1295 1114 A 6 GLY H A 4 GLU HA 1.0 . 5.50 1296 1115 A 7 LYS HA A 7 LYS HGx 1.0 . 4.13 1297 1116 A 7 LYS HA A 7 LYS HGy 1.0 . 4.13 1298 1117 A 7 LYS HA A 10 PHE HBx 1.0 . 4.12 1299 1118 A 7 LYS HA A 10 PHE HBy 1.0 . 4.12 1300 1119 A 97 TYR HBx A 7 LYS HA 1.0 . 4.62 1301 1120 A 4 GLU HA A 7 LYS HA 1.0 . 5.50 1302 1121 A 10 PHE H A 7 LYS HA 1.0 . 4.56 1303 1122 A 99 LYS HA A 99 LYS HGx 1.0 . 4.02 1304 1123 A 99 LYS HA A 99 LYS HGy 1.0 . 4.02 1305 1124 A 99 LYS HA A 99 LYS HDx 1.0 . 3.85 1306 1125 A 99 LYS HA A 99 LYS HDy 1.0 . 3.85 1307 1126 A 11 ILE HG2% A 8 LYS HA 1.0 . 3.87 1308 1127 A 8 LYS HA A 8 LYS HGx 1.0 . 4.00 1309 1128 A 8 LYS HA A 8 LYS HGy 1.0 . 4.00 1310 1129 A 8 LYS HA A 8 LYS HDx 1.0 . 4.03 1311 1129 A 8 LYS HA A 8 LYS HDy 1.0 . 4.03 1312 1130 A 8 LYS HA A 8 LYS HBx 1.0 . 3.02 1313 1130 A 8 LYS HBy A 8 LYS HA 1.0 . 3.02 1314 1131 A 12 MET H A 8 LYS HA 1.0 . 4.98 1315 1132 A 85 ILE HD1% A 85 ILE HA 1.0 . 3.90 1316 1133 A 85 ILE HA A 85 ILE HG1x 1.0 . 4.06 1317 1134 A 85 ILE HA A 85 ILE HG1y 1.0 . 4.06 1318 1135 A 5 LYS HA A 5 LYS HGx 1.0 . 3.71 1319 1136 A 5 LYS HA A 5 LYS HGy 1.0 . 3.71 1320 1137 A 5 LYS HA A 5 LYS HDx 1.0 . 3.56 1321 1137 A 5 LYS HDy A 5 LYS HA 1.0 . 3.56 1322 1138 A 5 LYS HA A 5 LYS HEx 1.0 . 4.82 1323 1138 A 5 LYS HEy A 5 LYS HA 1.0 . 4.82 1324 1139 A 32 LEU HDy% A 30 PRO HA 1.0 . 5.48 1325 1140 A 31 ASN H A 30 PRO HA 1.0 . 3.31 1326 1141 A 26 HIS HA A 30 PRO HA 1.0 . 4.21 1327 1142 A 30 PRO HA A 26 HIS HE1 1.0 . 4.69 1328 1143 A 89 GLU HA A 89 GLU HGx 1.0 . 3.92 1329 1144 A 89 GLU HA A 89 GLU HGy 1.0 . 3.92 1330 1145 A 67 TYR HA A 74 TYR HBx 1.0 . 3.83 1331 1146 A 67 TYR HA A 74 TYR HBy 1.0 . 3.58 1332 1147 A 67 TYR HA A 69 GLU H 1.0 . 4.62 1333 1148 A 41 GLY HAy A 53 LYS HA 1.0 . 4.06 1334 1149 A 53 LYS HA A 40 THR HB 1.0 . 4.55 1335 1150 A 40 THR HG1 A 53 LYS HA 1.0 . 3.85 1336 1151 A 36 PHE HA A 58 ILE HG2% 1.0 . 5.50 1337 1152 A 36 PHE HA A 36 PHE HE% 1.0 . 5.02 1338 1153 A 36 PHE HA A 59 TRP HD1 1.0 . 5.50 1339 1154 A 88 LYS HA A 88 LYS HGx 1.0 . 3.88 1340 1155 A 88 LYS HA A 88 LYS HGy 1.0 . 3.88 1341 1156 A 88 LYS HA A 91 ARG HE 1.0 . 5.05 1342 1157 A 88 LYS HA A 91 ARG H 1.0 . 4.71 1343 1158 A 32 LEU HDx% A 20 VAL HA 1.0 . 5.07 1344 1159 A 33 HIS HA A 32 LEU H 1.0 . 5.12 1345 1160 A 49 THR HG2% A 78 THR HA 1.0 . 3.86 1346 1161 A 79 LYS H A 78 THR HA 1.0 . 3.31 1347 1162 A 78 THR HG1 A 78 THR HA 1.0 . 3.65 1348 1163 A 49 THR HG1 A 78 THR HA 1.0 . 3.95 1349 1164 A 85 ILE HG2% A 91 ARG HA 1.0 . 3.64 1350 1165 A 94 LEU HBx A 91 ARG HA 1.0 . 3.54 1351 1166 A 94 LEU HBy A 91 ARG HA 1.0 . 3.92 1352 1167 A 95 ILE H A 91 ARG HA 1.0 . 5.15 1353 1168 A 97 TYR HA A 100 LYS HBx 1.0 . 4.13 1354 1168 A 100 LYS HBy A 97 TYR HA 1.0 . 4.13 1355 1169 A 97 TYR HA A 3 VAL HB 1.0 . 4.29 1356 1170 A 97 TYR HA A 3 VAL HA 1.0 . 3.42 1357 1171 A 100 LYS H A 97 TYR HA 1.0 . 4.62 1358 1172 A 33 HIS HA A 102 THR HA 1.0 . 3.74 1359 1173 A 102 THR HA A 33 HIS HD2 1.0 . 4.35 1360 1174 A 101 ALA H A 102 THR HA 1.0 . 5.48 1361 1175 A 34 GLY H A 102 THR HA 1.0 . 4.68 1362 1176 A 95 ILE HD1% A 61 GLU HA 1.0 . 4.20 1363 1177 A 61 GLU HA A 61 GLU HGx 1.0 . 3.90 1364 1178 A 40 THR HA A 41 GLY HAx 1.0 . 4.80 1365 1179 A 14 CYS HBy A 10 PHE HA 1.0 . 3.88 1366 1180 A 10 PHE HD% A 10 PHE HA 1.0 . 4.46 1367 1181 A 15 SER H A 10 PHE HA 1.0 . 5.35 1368 1182 A 14 CYS H A 10 PHE HA 1.0 . 4.15 1369 1183 A 13 LYS H A 10 PHE HA 1.0 . 4.68 1370 1184 A 50 ALA HB% A 49 THR HA 1.0 . 4.27 1371 1185 A 51 ALA H A 49 THR HA 1.0 . 4.28 1372 1186 A 50 ALA H A 49 THR HA 1.0 . 3.08 1373 1187 A 57 ILE HG2% A 63 THR HA 1.0 . 5.50 1374 1188 A 63 THR HA A 66 GLU HBx 1.0 . 4.06 1375 1189 A 63 THR HA A 62 ASP HBx 1.0 . 4.77 1376 1190 A 63 THR HA A 62 ASP HBy 1.0 . 4.77 1377 1191 A 66 GLU H A 63 THR HA 1.0 . 4.20 1378 1192 A 65 MET H A 63 THR HA 1.0 . 5.50 1379 1193 A 72 LYS HA A 76 PRO HA 1.0 . 4.86 1380 1194 A 78 THR H A 76 PRO HA 1.0 . 4.44 1381 1195 A 77 GLY H A 76 PRO HA 1.0 . 3.47 1382 1196 A 83 VAL HA A 83 VAL HGx% 1.0 . 3.41 1383 1197 A 83 VAL HA A 83 VAL HGy% 1.0 . 3.41 1384 1198 A 82 PHE HA A 83 VAL HA 1.0 . 4.86 1385 1199 A 9 ILE HD1% A 9 ILE HA 1.0 . 3.92 1386 1200 A 9 ILE HA A 9 ILE HG1x 1.0 . 3.57 1387 1201 A 9 ILE HA A 9 ILE HG1y 1.0 . 3.85 1388 1202 A 11 ILE HA A 11 ILE HD1% 1.0 . 3.82 1389 1203 A 11 ILE HA A 11 ILE HG1x 1.0 . 4.01 1390 1204 A 11 ILE HA A 11 ILE HG1y 1.0 . 4.01 1391 1205 A 11 ILE HA A 15 SER HBx 1.0 . 4.08 1392 1206 A 11 ILE HA A 15 SER HBy 1.0 . 4.08 1393 1207 A 74 TYR H A 71 PRO HA 1.0 . 4.24 1394 1208 A 3 VAL HA A 3 VAL HGy% 1.0 . 3.38 1395 1209 A 3 VAL HA A 3 VAL HGx% 1.0 . 3.38 1396 1210 A 97 TYR H A 3 VAL HA 1.0 . 4.49 1397 1211 A 95 ILE HA A 98 LEU HDy% 1.0 . 4.82 1398 1212 A 95 ILE HG1x A 95 ILE HA 1.0 . 3.40 1399 1213 A 98 LEU HBy A 95 ILE HA 1.0 . 4.63 1400 1214 A 95 ILE HG1y A 95 ILE HA 1.0 . 3.76 1401 1215 A 98 LEU HBx A 95 ILE HA 1.0 . 3.72 1402 1216 A 41 GLY H A 40 THR HB 1.0 . 4.26 1403 1217 A 75 ILE HG2% A 78 THR HB 1.0 . 4.00 1404 1218 A 75 ILE HB A 78 THR HB 1.0 . 3.99 1405 1219 A 63 THR HB A 59 TRP HZ3 1.0 . 4.89 1406 1220 A 59 TRP HE3 A 63 THR HB 1.0 . 4.84 1407 1221 A 33 HIS HA A 102 THR HB 1.0 . 4.22 1408 1222 A 102 THR HB A 103 ASN H 1.0 . 5.50 1409 1223 A 19 THR H A 19 THR HB 1.0 . 4.11 1410 1224 A 20 VAL H A 19 THR HB 1.0 . 3.93 1411 1225 A 31 ASN HD2y A 19 THR HB 1.0 . 4.56 1412 1226 A 21 GLU H A 19 THR HB 1.0 . 4.49 1413 1227 A 57 ILE HD1% A 59 TRP HZ2 1.0 . 4.50 1414 1228 A 40 THR HG2% A 59 TRP HZ2 1.0 . 3.15 1415 1229 A 59 TRP HZ2 A 40 THR HB 1.0 . 4.48 1416 1230 A 52 ASN HD2x A 59 TRP HZ2 1.0 . 4.54 1417 1231 A 52 ASN HD2y A 59 TRP HZ2 1.0 . 5.48 1418 1232 A 26 HIS HBy A 46 TYR HEx 1.0 . 4.32 1419 1233 A 26 HIS HA A 46 TYR HEx 1.0 . 5.50 1420 1234 A 101 ALA HB% A 97 TYR HEx 1.0 . 3.97 1421 1235 A 98 LEU HDy% A 97 TYR HEx 1.0 . 3.92 1422 1236 A 98 LEU HDx% A 97 TYR HEx 1.0 . 4.95 1423 1237 A 7 LYS HA A 97 TYR HEx 1.0 . 4.26 1424 1238 A 97 TYR HEx A 10 PHE HBx 1.0 . 3.91 1425 1239 A 97 TYR HEx A 10 PHE HBy 1.0 . 3.91 1426 1240 A 98 LEU HA A 97 TYR HEx 1.0 . 4.90 1427 1241 A 48 TYR HEx A 30 PRO HGx 1.0 . 4.34 1428 1242 A 48 TYR HEx A 30 PRO HGy 1.0 . 4.34 1429 1243 A 52 ASN HD2x A 48 TYR HEx 1.0 . 3.74 1430 1244 A 74 TYR HE% A 57 ILE HD1% 1.0 . 3.38 1431 1245 A 74 TYR HE% A 57 ILE HG1x 1.0 . 4.11 1432 1246 A 57 ILE HG2% A 74 TYR HE% 1.0 . 4.24 1433 1247 A 74 TYR HE% A 57 ILE HG1y 1.0 . 4.11 1434 1248 A 74 TYR HE% A 55 LYS HGx 1.0 . 3.45 1435 1248 A 55 LYS HGy A 74 TYR HE% 1.0 . 3.45 1436 1249 A 63 THR HG2% A 74 TYR HE% 1.0 . 4.41 1437 1250 A 74 TYR HE% A 66 GLU HBx 1.0 . 4.42 1438 1251 A 74 TYR HE% A 66 GLU HBy 1.0 . 4.42 1439 1252 A 74 TYR HE% A 66 GLU HGx 1.0 . 4.58 1440 1253 A 74 TYR HE% A 66 GLU HGy 1.0 . 4.58 1441 1254 A 67 TYR HBy A 74 TYR HE% 1.0 . 4.84 1442 1255 A 67 TYR HBx A 74 TYR HE% 1.0 . 3.99 1443 1256 A 74 TYR HE% A 63 THR HA 1.0 . 4.49 1444 1257 A 63 THR HB A 74 TYR HE% 1.0 . 4.64 1445 1258 A 74 TYR HE% A 59 TRP HH2 1.0 . 4.24 1446 1259 A 101 ALA HB% A 97 TYR HEy 1.0 . 3.75 1447 1260 A 97 TYR HEy A 7 LYS HDx 1.0 . 3.98 1448 1260 A 7 LYS HDy A 97 TYR HEy 1.0 . 3.98 1449 1261 A 7 LYS HA A 97 TYR HEy 1.0 . 4.23 1450 1262 A 97 TYR HBx A 97 TYR HEy 1.0 . 5.50 1451 1263 A 46 TYR HA A 26 HIS HD2 1.0 . 5.15 1452 1264 A 48 TYR HA A 46 TYR HEy 1.0 . 3.49 1453 1265 A 43 ALA HB% A 48 TYR HEy 1.0 . 3.70 1454 1266 A 41 GLY HAy A 48 TYR HEy 1.0 . 5.27 1455 1267 A 48 TYR HEy A 42 GLN HA 1.0 . 5.50 1456 1268 A 48 TYR HEy A 44 PRO HA 1.0 . 5.50 1457 1269 A 59 TRP HZ3 A 57 ILE HD1% 1.0 . 4.69 1458 1270 A 64 LEU HG A 59 TRP HZ3 1.0 . 5.17 1459 1271 A 67 TYR HBy A 59 TRP HZ3 1.0 . 3.83 1460 1272 A 67 TYR HBx A 59 TRP HZ3 1.0 . 3.68 1461 1273 A 67 TYR HA A 59 TRP HZ3 1.0 . 4.85 1462 1274 A 64 LEU HA A 59 TRP HZ3 1.0 . 3.76 1463 1275 A 59 TRP HE3 A 57 ILE HD1% 1.0 . 4.66 1464 1276 A 64 LEU HG A 59 TRP HE3 1.0 . 3.85 1465 1277 A 59 TRP HE3 A 64 LEU HA 1.0 . 4.25 1466 1278 A 57 ILE HD1% A 59 TRP HH2 1.0 . 4.39 1467 1279 A 75 ILE HD1% A 59 TRP HH2 1.0 . 3.45 1468 1280 A 67 TYR HBy A 59 TRP HH2 1.0 . 4.95 1469 1281 A 67 TYR HBx A 59 TRP HH2 1.0 . 3.65 1470 1282 A 74 TYR HD% A 59 TRP HH2 1.0 . 3.78 1471 1283 A 32 LEU HDx% A 18 HIS HD2 1.0 . 4.40 1472 1284 A 18 HIS HBx A 18 HIS HD2 1.0 . 3.97 1473 1285 A 14 CYS HBx A 18 HIS HD2 1.0 . 4.11 1474 1286 A 14 CYS HA A 18 HIS HD2 1.0 . 4.48 1475 1287 A 18 HIS H A 18 HIS HD2 1.0 . 4.93 1476 1288 A 35 LEU HG A 59 TRP HD1 1.0 . 4.32 1477 1289 A 40 THR HA A 59 TRP HD1 1.0 . 4.16 1478 1290 A 38 ARG H A 59 TRP HD1 1.0 . 5.29 1479 1291 A 59 TRP H A 59 TRP HD1 1.0 . 4.03 1480 1292 A 98 LEU HBy A 36 PHE HZ 1.0 . 4.17 1481 1293 A 98 LEU HBx A 36 PHE HZ 1.0 . 4.37 1482 1294 A 36 PHE HZ A 36 PHE HD% 1.0 . 4.01 1483 1295 A 36 PHE HE% A 64 LEU HDx% 1.0 . 4.51 1484 1296 A 102 THR HG2% A 36 PHE HE% 1.0 . 4.29 1485 1297 A 98 LEU HBy A 36 PHE HE% 1.0 . 3.36 1486 1298 A 98 LEU HBx A 36 PHE HE% 1.0 . 3.65 1487 1299 A 98 LEU HA A 36 PHE HE% 1.0 . 5.27 1488 1300 A 95 ILE HA A 36 PHE HE% 1.0 . 4.69 1489 1301 A 61 GLU HA A 36 PHE HE% 1.0 . 4.19 1490 1302 A 99 LYS H A 36 PHE HE% 1.0 . 5.06 1491 1303 A 82 PHE HZ A 85 ILE HG1x 1.0 . 4.19 1492 1304 A 82 PHE HZ A 85 ILE HG1y 1.0 . 4.19 1493 1305 A 32 LEU HDx% A 10 PHE HZ 1.0 . 4.47 1494 1306 A 18 HIS HBx A 10 PHE HZ 1.0 . 4.68 1495 1307 A 18 HIS HBy A 10 PHE HZ 1.0 . 4.60 1496 1308 A 82 PHE HE% A 80 MET HE% 1.0 . 4.59 1497 1309 A 82 PHE HE% A 85 ILE HG1x 1.0 . 4.51 1498 1310 A 82 PHE HE% A 85 ILE HG1y 1.0 . 4.51 1499 1311 A 82 PHE HE% A 84 GLY HAy 1.0 . 4.54 1500 1312 A 82 PHE HE% A 84 GLY H 1.0 . 4.01 1501 1313 A 82 PHE HD% A 71 PRO HGx 1.0 . 4.16 1502 1314 A 82 PHE HD% A 71 PRO HGy 1.0 . 4.16 1503 1315 A 85 ILE HD1% A 82 PHE HD% 1.0 . 4.77 1504 1316 A 82 PHE HD% A 13 LYS HGx 1.0 . 4.42 1505 1316 A 13 LYS HGy A 82 PHE HD% 1.0 . 4.42 1506 1317 A 26 HIS HBy A 46 TYR HDy 1.0 . 3.81 1507 1318 A 26 HIS HBx A 46 TYR HDy 1.0 . 4.38 1508 1319 A 46 TYR HA A 46 TYR HDy 1.0 . 4.10 1509 1320 A 102 THR HG2% A 36 PHE HD% 1.0 . 4.56 1510 1321 A 35 LEU HG A 36 PHE HD% 1.0 . 4.64 1511 1322 A 35 LEU HBy A 36 PHE HD% 1.0 . 3.38 1512 1323 A 35 LEU HBx A 36 PHE HD% 1.0 . 4.99 1513 1324 A 36 PHE HA A 36 PHE HD% 1.0 . 3.24 1514 1325 A 36 PHE H A 36 PHE HD% 1.0 . 2.93 1515 1326 A 37 GLY H A 36 PHE HD% 1.0 . 5.08 1516 1327 A 74 TYR HD% A 75 ILE HG1x 1.0 . 3.51 1517 1328 A 75 ILE HD1% A 74 TYR HD% 1.0 . 3.47 1518 1329 A 74 TYR HD% A 75 ILE HG1y 1.0 . 3.51 1519 1330 A 74 TYR HD% A 55 LYS HEy 1.0 . 4.95 1520 1331 A 67 TYR HBy A 74 TYR HD% 1.0 . 4.75 1521 1332 A 67 TYR HA A 74 TYR HD% 1.0 . 3.56 1522 1333 A 75 ILE HA A 74 TYR HD% 1.0 . 4.50 1523 1334 A 74 TYR HD% A 74 TYR HA 1.0 . 3.27 1524 1335 A 75 ILE H A 74 TYR HD% 1.0 . 3.90 1525 1336 A 101 ALA HB% A 97 TYR HDx 1.0 . 4.32 1526 1337 A 98 LEU HDy% A 97 TYR HDx 1.0 . 3.83 1527 1338 A 98 LEU HDx% A 97 TYR HDx 1.0 . 3.86 1528 1339 A 98 LEU HG A 97 TYR HDx 1.0 . 3.68 1529 1340 A 7 LYS HA A 97 TYR HDx 1.0 . 4.38 1530 1341 A 97 TYR HDx A 10 PHE HBx 1.0 . 3.92 1531 1342 A 97 TYR HDx A 10 PHE HBy 1.0 . 3.92 1532 1343 A 97 TYR HBy A 97 TYR HDx 1.0 . 3.54 1533 1344 A 97 TYR HA A 97 TYR HDx 1.0 . 4.67 1534 1345 A 97 TYR H A 97 TYR HDx 1.0 . 4.95 1535 1346 A 98 LEU H A 97 TYR HDx 1.0 . 3.89 1536 1347 A 10 PHE HD% A 10 PHE HEx 1.0 . 4.41 1537 1348 A 10 PHE HD% A 10 PHE HEy 1.0 . 3.08 1538 1349 A 97 TYR HDy A 98 LEU HDy% 1.0 . 5.50 1539 1350 A 97 TYR HDy A 100 LYS HBx 1.0 . 4.48 1540 1350 A 100 LYS HBy A 97 TYR HDy 1.0 . 4.48 1541 1351 A 97 TYR HDy A 7 LYS HA 1.0 . 3.99 1542 1352 A 97 TYR HBx A 97 TYR HDy 1.0 . 3.67 1543 1353 A 97 TYR HDy A 3 VAL HA 1.0 . 3.93 1544 1354 A 97 TYR HDy A 97 TYR HA 1.0 . 3.35 1545 1355 A 7 LYS H A 97 TYR HDy 1.0 . 4.30 1546 1356 A 18 HIS HE1 A 29 GLY HAx 1.0 . 4.51 1547 1357 A 32 LEU HDy% A 18 HIS HE1 1.0 . 3.76 1548 1358 A 18 HIS HE1 A 30 PRO HDx 1.0 . 3.65 1549 1359 A 18 HIS HE1 A 30 PRO HDy 1.0 . 3.65 1550 1360 A 18 HIS HE1 A 29 GLY HAy 1.0 . 4.51 1551 1361 A 41 GLY HAx A 48 TYR HDx 1.0 . 4.58 1552 1362 A 53 LYS HDx A 48 TYR HDx 1.0 . 5.04 1553 1363 A 48 TYR HDx A 48 TYR HA 1.0 . 4.44 1554 1364 A 48 TYR H A 48 TYR HDx 1.0 . 3.74 1555 1365 A 48 TYR HDy A 41 GLY HAx 1.0 . 4.70 1556 1366 A 52 ASN HA A 48 TYR HDy 1.0 . 5.03 1557 1367 A 48 TYR HDy A 48 TYR HA 1.0 . 4.07 1558 1368 A 33 HIS HE1 A 22 LYS HDx 1.0 . 4.54 1559 1368 A 22 LYS HDy A 33 HIS HE1 1.0 . 4.54 1560 1369 A 26 HIS HE1 A 30 PRO HBy 1.0 . 4.89 1561 1370 A 26 HIS HE1 A 30 PRO HBx 1.0 . 4.89 1562 1371 A 43 ALA HB% A 26 HIS HE1 1.0 . 2.90 1563 1372 A 26 HIS HE1 A 31 ASN HBx 1.0 . 4.18 1564 1373 A 31 ASN H A 26 HIS HE1 1.0 . 3.49 1565 1374 A 26 HIS HE1 A 31 ASN HBy 1.0 . 4.18 1566 1375 A 96 ALA H A 1 GLY HAx 1.0 . 4.38 1567 1375 A 96 ALA H A 1 GLY HAy 1.0 . 4.38 1568 1376 A 96 ALA HB% A 1 GLY HAx 1.0 . 3.36 1569 1376 A 96 ALA HB% A 1 GLY HAy 1.0 . 3.36 1570 1377 A 97 TYR H A 1 GLY HAx 1.0 . 5.05 1571 1377 A 97 TYR H A 1 GLY HAy 1.0 . 5.05 1572 1378 A 2 ASP HA A 3 VAL HGy% 1.0 . 4.18 1573 1378 A 2 ASP HA A 3 VAL HGx% 1.0 . 4.18 1574 1379 A 4 GLU H A 2 ASP HBx 1.0 . 5.21 1575 1379 A 4 GLU H A 2 ASP HBy 1.0 . 5.21 1576 1380 A 5 LYS H A 2 ASP HBx 1.0 . 4.08 1577 1380 A 5 LYS H A 2 ASP HBy 1.0 . 4.08 1578 1381 A 2 ASP HBy A 5 LYS HBx 1.0 . 3.69 1579 1381 A 2 ASP HBx A 5 LYS HBx 1.0 . 3.69 1580 1381 A 5 LYS HBy A 2 ASP HBx 1.0 . 3.69 1581 1381 A 5 LYS HBy A 2 ASP HBy 1.0 . 3.69 1582 1382 A 2 ASP HBy A 5 LYS HGy 1.0 . 4.30 1583 1382 A 2 ASP HBx A 5 LYS HGy 1.0 . 4.30 1584 1382 A 5 LYS HGx A 2 ASP HBx 1.0 . 4.30 1585 1382 A 2 ASP HBy A 5 LYS HGx 1.0 . 4.30 1586 1383 A 3 VAL H A 3 VAL HGy% 1.0 . 3.01 1587 1383 A 3 VAL H A 3 VAL HGx% 1.0 . 3.01 1588 1384 A 3 VAL HA A 3 VAL HGy% 1.0 . 2.91 1589 1384 A 3 VAL HA A 3 VAL HGx% 1.0 . 2.91 1590 1385 A 4 GLU H A 3 VAL HGy% 1.0 . 3.54 1591 1385 A 4 GLU H A 3 VAL HGx% 1.0 . 3.54 1592 1386 A 4 GLU HA A 3 VAL HGy% 1.0 . 4.08 1593 1386 A 4 GLU HA A 3 VAL HGx% 1.0 . 4.08 1594 1387 A 7 LYS H A 3 VAL HGy% 1.0 . 4.88 1595 1387 A 7 LYS H A 3 VAL HGx% 1.0 . 4.88 1596 1388 A 97 TYR H A 3 VAL HGy% 1.0 . 4.94 1597 1388 A 97 TYR H A 3 VAL HGx% 1.0 . 4.94 1598 1389 A 97 TYR HA A 3 VAL HGy% 1.0 . 3.27 1599 1389 A 97 TYR HA A 3 VAL HGx% 1.0 . 3.27 1600 1390 A 97 TYR HBx A 3 VAL HGy% 1.0 . 4.73 1601 1390 A 97 TYR HBx A 3 VAL HGx% 1.0 . 4.73 1602 1391 A 97 TYR HBy A 3 VAL HGy% 1.0 . 4.62 1603 1391 A 97 TYR HBy A 3 VAL HGx% 1.0 . 4.62 1604 1392 A 97 TYR HDy A 3 VAL HGy% 1.0 . 3.60 1605 1392 A 97 TYR HDy A 3 VAL HGx% 1.0 . 3.60 1606 1393 A 97 TYR HEy A 3 VAL HGy% 1.0 . 4.88 1607 1393 A 97 TYR HEy A 3 VAL HGx% 1.0 . 4.88 1608 1394 A 3 VAL HGx% A 100 LYS HBx 1.0 . 3.95 1609 1394 A 3 VAL HGy% A 100 LYS HBx 1.0 . 3.95 1610 1394 A 100 LYS HBy A 3 VAL HGy% 1.0 . 3.95 1611 1394 A 100 LYS HBy A 3 VAL HGx% 1.0 . 3.95 1612 1395 A 4 GLU H A 4 GLU HBy 1.0 . 2.93 1613 1395 A 4 GLU H A 4 GLU HBx 1.0 . 2.93 1614 1396 A 4 GLU HA A 7 LYS HBy 1.0 . 3.79 1615 1396 A 4 GLU HA A 7 LYS HBx 1.0 . 3.79 1616 1397 A 4 GLU HA A 7 LYS HGy 1.0 . 5.07 1617 1397 A 4 GLU HA A 7 LYS HGx 1.0 . 5.07 1618 1398 A 5 LYS H A 4 GLU HBy 1.0 . 3.40 1619 1398 A 5 LYS H A 4 GLU HBx 1.0 . 3.40 1620 1399 A 5 LYS H A 5 LYS HGy 1.0 . 3.49 1621 1399 A 5 LYS H A 5 LYS HGx 1.0 . 3.49 1622 1400 A 5 LYS HA A 5 LYS HGy 1.0 . 3.16 1623 1400 A 5 LYS HA A 5 LYS HGx 1.0 . 3.16 1624 1401 A 5 LYS HBy A 6 GLY HAx 1.0 . 4.47 1625 1401 A 6 GLY HAy A 5 LYS HBx 1.0 . 4.47 1626 1401 A 5 LYS HBy A 6 GLY HAy 1.0 . 4.47 1627 1401 A 5 LYS HBx A 6 GLY HAx 1.0 . 4.47 1628 1402 A 5 LYS HEy A 5 LYS HGy 1.0 . 3.06 1629 1402 A 5 LYS HEx A 5 LYS HGy 1.0 . 3.06 1630 1402 A 5 LYS HGx A 5 LYS HEx 1.0 . 3.06 1631 1402 A 5 LYS HEy A 5 LYS HGx 1.0 . 3.06 1632 1403 A 6 GLY H A 5 LYS HGy 1.0 . 4.87 1633 1403 A 6 GLY H A 5 LYS HGx 1.0 . 4.87 1634 1404 A 7 LYS HA A 6 GLY HAx 1.0 . 4.93 1635 1404 A 7 LYS HA A 6 GLY HAy 1.0 . 4.93 1636 1405 A 9 ILE H A 6 GLY HAx 1.0 . 4.18 1637 1405 A 9 ILE H A 6 GLY HAy 1.0 . 4.18 1638 1406 A 9 ILE HB A 6 GLY HAx 1.0 . 4.01 1639 1406 A 9 ILE HB A 6 GLY HAy 1.0 . 4.01 1640 1407 A 9 ILE HD1% A 6 GLY HAx 1.0 . 3.45 1641 1407 A 9 ILE HD1% A 6 GLY HAy 1.0 . 3.45 1642 1408 A 6 GLY HAx A 10 PHE HBx 1.0 . 4.83 1643 1408 A 6 GLY HAy A 10 PHE HBx 1.0 . 4.83 1644 1408 A 10 PHE HBy A 6 GLY HAx 1.0 . 4.83 1645 1408 A 6 GLY HAy A 10 PHE HBy 1.0 . 4.83 1646 1409 A 6 GLY HAy A 93 ASP HBx 1.0 . 4.04 1647 1409 A 6 GLY HAx A 93 ASP HBx 1.0 . 4.04 1648 1409 A 93 ASP HBy A 6 GLY HAx 1.0 . 4.04 1649 1409 A 93 ASP HBy A 6 GLY HAy 1.0 . 4.04 1650 1410 A 94 LEU HA A 6 GLY HAx 1.0 . 3.52 1651 1410 A 94 LEU HA A 6 GLY HAy 1.0 . 3.52 1652 1411 A 94 LEU HBx A 6 GLY HAx 1.0 . 4.72 1653 1411 A 94 LEU HBx A 6 GLY HAy 1.0 . 4.72 1654 1412 A 6 GLY HAy A 94 LEU HDx% 1.0 . 5.04 1655 1412 A 6 GLY HAx A 94 LEU HDx% 1.0 . 5.04 1656 1412 A 94 LEU HDy% A 6 GLY HAx 1.0 . 5.04 1657 1412 A 6 GLY HAy A 94 LEU HDy% 1.0 . 5.04 1658 1413 A 97 TYR HBx A 6 GLY HAx 1.0 . 4.18 1659 1413 A 97 TYR HBx A 6 GLY HAy 1.0 . 4.18 1660 1414 A 7 LYS H A 7 LYS HGy 1.0 . 4.36 1661 1414 A 7 LYS H A 7 LYS HGx 1.0 . 4.36 1662 1415 A 7 LYS HA A 7 LYS HGy 1.0 . 3.45 1663 1415 A 7 LYS HA A 7 LYS HGx 1.0 . 3.45 1664 1416 A 7 LYS HBy A 7 LYS HDx 1.0 . 3.42 1665 1416 A 7 LYS HBx A 7 LYS HDx 1.0 . 3.42 1666 1416 A 7 LYS HDy A 7 LYS HBy 1.0 . 3.42 1667 1416 A 7 LYS HDy A 7 LYS HBx 1.0 . 3.42 1668 1417 A 8 LYS H A 7 LYS HBy 1.0 . 3.32 1669 1417 A 8 LYS H A 7 LYS HBx 1.0 . 3.32 1670 1418 A 97 TYR HDy A 7 LYS HBy 1.0 . 3.73 1671 1418 A 97 TYR HDy A 7 LYS HBx 1.0 . 3.73 1672 1419 A 7 LYS HEx A 7 LYS HGy 1.0 . 3.37 1673 1419 A 7 LYS HEy A 7 LYS HGy 1.0 . 3.37 1674 1419 A 7 LYS HGx A 7 LYS HEx 1.0 . 3.37 1675 1419 A 7 LYS HEy A 7 LYS HGx 1.0 . 3.37 1676 1420 A 8 LYS H A 7 LYS HGy 1.0 . 4.60 1677 1420 A 8 LYS H A 7 LYS HGx 1.0 . 4.60 1678 1421 A 97 TYR HDy A 7 LYS HGy 1.0 . 4.43 1679 1421 A 97 TYR HDy A 7 LYS HGx 1.0 . 4.43 1680 1422 A 97 TYR HEy A 7 LYS HGy 1.0 . 4.22 1681 1422 A 97 TYR HEy A 7 LYS HGx 1.0 . 4.22 1682 1423 A 9 ILE HA A 12 MET HBy 1.0 . 4.59 1683 1423 A 9 ILE HA A 12 MET HBx 1.0 . 4.59 1684 1424 A 9 ILE HB A 94 LEU HDx% 1.0 . 3.77 1685 1424 A 9 ILE HB A 94 LEU HDy% 1.0 . 3.77 1686 1425 A 9 ILE HG2% A 13 LYS HBy 1.0 . 3.44 1687 1425 A 9 ILE HG2% A 13 LYS HBx 1.0 . 3.44 1688 1426 A 9 ILE HG2% A 13 LYS HEy 1.0 . 4.01 1689 1426 A 9 ILE HG2% A 13 LYS HEx 1.0 . 4.01 1690 1427 A 9 ILE HG2% A 94 LEU HDx% 1.0 . 2.79 1691 1427 A 9 ILE HG2% A 94 LEU HDy% 1.0 . 2.79 1692 1428 A 9 ILE HD1% A 94 LEU HDx% 1.0 . 3.20 1693 1428 A 9 ILE HD1% A 94 LEU HDy% 1.0 . 3.20 1694 1429 A 10 PHE H A 10 PHE HBx 1.0 . 3.04 1695 1429 A 10 PHE H A 10 PHE HBy 1.0 . 3.04 1696 1430 A 10 PHE H A 94 LEU HDx% 1.0 . 3.65 1697 1430 A 10 PHE H A 94 LEU HDy% 1.0 . 3.65 1698 1431 A 10 PHE HA A 94 LEU HDx% 1.0 . 3.61 1699 1431 A 10 PHE HA A 94 LEU HDy% 1.0 . 3.61 1700 1432 A 10 PHE HEy A 10 PHE HBx 1.0 . 4.63 1701 1432 A 10 PHE HEy A 10 PHE HBy 1.0 . 4.63 1702 1433 A 11 ILE H A 10 PHE HBx 1.0 . 3.55 1703 1433 A 11 ILE H A 10 PHE HBy 1.0 . 3.55 1704 1434 A 10 PHE HBx A 11 ILE HG1y 1.0 . 5.18 1705 1434 A 10 PHE HBy A 11 ILE HG1y 1.0 . 5.18 1706 1434 A 11 ILE HG1x A 10 PHE HBx 1.0 . 5.18 1707 1434 A 10 PHE HBy A 11 ILE HG1x 1.0 . 5.18 1708 1435 A 94 LEU HA A 10 PHE HBx 1.0 . 4.74 1709 1435 A 94 LEU HA A 10 PHE HBy 1.0 . 4.74 1710 1436 A 94 LEU HG A 10 PHE HBx 1.0 . 5.34 1711 1436 A 94 LEU HG A 10 PHE HBy 1.0 . 5.34 1712 1437 A 10 PHE HBy A 94 LEU HDx% 1.0 . 3.29 1713 1437 A 10 PHE HBx A 94 LEU HDx% 1.0 . 3.29 1714 1437 A 94 LEU HDy% A 10 PHE HBx 1.0 . 3.29 1715 1437 A 10 PHE HBy A 94 LEU HDy% 1.0 . 3.29 1716 1438 A 97 TYR HEy A 10 PHE HBx 1.0 . 5.34 1717 1438 A 97 TYR HEy A 10 PHE HBy 1.0 . 5.34 1718 1439 A 97 TYR HEx A 10 PHE HBx 1.0 . 3.40 1719 1439 A 97 TYR HEx A 10 PHE HBy 1.0 . 3.40 1720 1440 A 97 TYR HDx A 10 PHE HBx 1.0 . 3.33 1721 1440 A 97 TYR HDx A 10 PHE HBy 1.0 . 3.33 1722 1441 A 10 PHE HD% A 94 LEU HDx% 1.0 . 3.90 1723 1441 A 10 PHE HD% A 94 LEU HDy% 1.0 . 3.90 1724 1442 A 10 PHE HEy A 20 VAL HGy% 1.0 . 4.43 1725 1442 A 10 PHE HEy A 20 VAL HGx% 1.0 . 4.43 1726 1443 A 10 PHE HZ A 20 VAL HGy% 1.0 . 4.01 1727 1443 A 10 PHE HZ A 20 VAL HGx% 1.0 . 4.01 1728 1444 A 11 ILE H A 11 ILE HG1y 1.0 . 3.17 1729 1444 A 11 ILE H A 11 ILE HG1x 1.0 . 3.17 1730 1445 A 11 ILE HA A 15 SER HBy 1.0 . 3.34 1731 1445 A 11 ILE HA A 15 SER HBx 1.0 . 3.34 1732 1446 A 11 ILE HG2% A 12 MET HGx 1.0 . 4.48 1733 1446 A 11 ILE HG2% A 12 MET HGy 1.0 . 4.48 1734 1447 A 12 MET H A 11 ILE HG1y 1.0 . 4.81 1735 1447 A 12 MET H A 11 ILE HG1x 1.0 . 4.81 1736 1448 A 12 MET H A 12 MET HBy 1.0 . 3.15 1737 1448 A 12 MET H A 12 MET HBx 1.0 . 3.15 1738 1449 A 12 MET H A 12 MET HGx 1.0 . 4.14 1739 1449 A 12 MET H A 12 MET HGy 1.0 . 4.14 1740 1450 A 12 MET HA A 12 MET HGx 1.0 . 3.28 1741 1450 A 12 MET HA A 12 MET HGy 1.0 . 3.28 1742 1451 A 13 LYS H A 13 LYS HBy 1.0 . 3.17 1743 1451 A 13 LYS H A 13 LYS HBx 1.0 . 3.17 1744 1452 A 13 LYS H A 13 LYS HEy 1.0 . 4.82 1745 1452 A 13 LYS H A 13 LYS HEx 1.0 . 4.82 1746 1453 A 13 LYS HA A 13 LYS HDx 1.0 . 3.59 1747 1453 A 13 LYS HA A 13 LYS HDy 1.0 . 3.59 1748 1454 A 13 LYS HBx A 13 LYS HDx 1.0 . 3.31 1749 1454 A 13 LYS HBy A 13 LYS HDx 1.0 . 3.31 1750 1454 A 13 LYS HDy A 13 LYS HBy 1.0 . 3.31 1751 1454 A 13 LYS HBx A 13 LYS HDy 1.0 . 3.31 1752 1455 A 14 CYS H A 13 LYS HBy 1.0 . 4.10 1753 1455 A 14 CYS H A 13 LYS HBx 1.0 . 4.10 1754 1456 A 15 SER H A 13 LYS HBy 1.0 . 5.34 1755 1456 A 15 SER H A 13 LYS HBx 1.0 . 5.34 1756 1457 A 82 PHE HE% A 13 LYS HBy 1.0 . 4.63 1757 1457 A 82 PHE HE% A 13 LYS HBx 1.0 . 4.63 1758 1458 A 82 PHE HZ A 13 LYS HBy 1.0 . 4.95 1759 1458 A 82 PHE HZ A 13 LYS HBx 1.0 . 4.95 1760 1459 A 13 LYS HBx A 94 LEU HDx% 1.0 . 4.61 1761 1459 A 94 LEU HDy% A 13 LYS HBy 1.0 . 4.61 1762 1459 A 94 LEU HDy% A 13 LYS HBx 1.0 . 4.61 1763 1459 A 13 LYS HBy A 94 LEU HDx% 1.0 . 4.61 1764 1460 A 82 PHE HE% A 13 LYS HDx 1.0 . 4.45 1765 1460 A 82 PHE HE% A 13 LYS HDy 1.0 . 4.45 1766 1461 A 82 PHE HZ A 13 LYS HDx 1.0 . 4.14 1767 1461 A 82 PHE HZ A 13 LYS HDy 1.0 . 4.14 1768 1462 A 15 SER H A 15 SER HBy 1.0 . 3.40 1769 1462 A 15 SER H A 15 SER HBx 1.0 . 3.40 1770 1463 A 15 SER HA A 15 SER HBy 1.0 . 2.55 1771 1463 A 15 SER HA A 15 SER HBx 1.0 . 2.55 1772 1464 A 16 GLN H A 15 SER HBy 1.0 . 4.08 1773 1464 A 16 GLN H A 15 SER HBx 1.0 . 4.08 1774 1465 A 16 GLN H A 16 GLN HGy 1.0 . 4.09 1775 1465 A 16 GLN H A 16 GLN HGx 1.0 . 4.09 1776 1466 A 16 GLN HA A 16 GLN HGy 1.0 . 3.46 1777 1466 A 16 GLN HA A 16 GLN HGx 1.0 . 3.46 1778 1467 A 17 CYS H A 16 GLN HGy 1.0 . 4.15 1779 1467 A 17 CYS H A 16 GLN HGx 1.0 . 4.15 1780 1468 A 17 CYS H A 17 CYS HBx 1.0 . 3.50 1781 1468 A 17 CYS H A 17 CYS HBy 1.0 . 3.50 1782 1469 A 17 CYS HA A 27 LYS HBy 1.0 . 4.27 1783 1469 A 17 CYS HA A 27 LYS HBx 1.0 . 4.27 1784 1470 A 18 HIS H A 17 CYS HBx 1.0 . 3.83 1785 1470 A 18 HIS H A 17 CYS HBy 1.0 . 3.83 1786 1471 A 18 HIS HD2 A 17 CYS HBx 1.0 . 4.26 1787 1471 A 18 HIS HD2 A 17 CYS HBy 1.0 . 4.26 1788 1472 A 28 THR HB A 17 CYS HBx 1.0 . 3.44 1789 1472 A 28 THR HB A 17 CYS HBy 1.0 . 3.44 1790 1473 A 29 GLY H A 17 CYS HBx 1.0 . 3.69 1791 1473 A 29 GLY H A 17 CYS HBy 1.0 . 3.69 1792 1474 A 17 CYS HBx A 29 GLY HAx 1.0 . 3.83 1793 1474 A 17 CYS HBy A 29 GLY HAx 1.0 . 3.83 1794 1474 A 29 GLY HAy A 17 CYS HBx 1.0 . 3.83 1795 1474 A 17 CYS HBy A 29 GLY HAy 1.0 . 3.83 1796 1475 A 18 HIS HD1 A 29 GLY HAx 1.0 . 5.14 1797 1475 A 18 HIS HD1 A 29 GLY HAy 1.0 . 5.14 1798 1476 A 18 HIS HD1 A 30 PRO HGx 1.0 . 4.79 1799 1476 A 18 HIS HD1 A 30 PRO HGy 1.0 . 4.79 1800 1477 A 18 HIS HE1 A 29 GLY HAx 1.0 . 3.91 1801 1477 A 18 HIS HE1 A 29 GLY HAy 1.0 . 3.91 1802 1478 A 18 HIS HE1 A 30 PRO HGx 1.0 . 4.25 1803 1478 A 18 HIS HE1 A 30 PRO HGy 1.0 . 4.25 1804 1479 A 18 HIS HE1 A 30 PRO HDy 1.0 . 2.86 1805 1479 A 18 HIS HE1 A 30 PRO HDx 1.0 . 2.86 1806 1480 A 19 THR HA A 20 VAL HGy% 1.0 . 3.92 1807 1480 A 19 THR HA A 20 VAL HGx% 1.0 . 3.92 1808 1481 A 19 THR HB A 24 GLY HAx 1.0 . 4.07 1809 1481 A 19 THR HB A 24 GLY HAy 1.0 . 4.07 1810 1482 A 19 THR HG2% A 24 GLY HAx 1.0 . 4.29 1811 1482 A 19 THR HG2% A 24 GLY HAy 1.0 . 4.29 1812 1483 A 20 VAL H A 20 VAL HGy% 1.0 . 3.09 1813 1483 A 20 VAL H A 20 VAL HGx% 1.0 . 3.09 1814 1484 A 20 VAL H A 32 LEU HBx 1.0 . 5.28 1815 1484 A 20 VAL H A 32 LEU HBy 1.0 . 5.28 1816 1485 A 20 VAL HA A 32 LEU HBx 1.0 . 3.46 1817 1485 A 20 VAL HA A 32 LEU HBy 1.0 . 3.46 1818 1486 A 21 GLU HA A 20 VAL HGy% 1.0 . 4.44 1819 1486 A 21 GLU HA A 20 VAL HGx% 1.0 . 4.44 1820 1487 A 20 VAL HGy% A 21 GLU HGx 1.0 . 4.37 1821 1487 A 20 VAL HGx% A 21 GLU HGx 1.0 . 4.37 1822 1487 A 21 GLU HGy A 20 VAL HGy% 1.0 . 4.37 1823 1487 A 21 GLU HGy A 20 VAL HGx% 1.0 . 4.37 1824 1488 A 32 LEU H A 20 VAL HGy% 1.0 . 4.74 1825 1488 A 32 LEU H A 20 VAL HGx% 1.0 . 4.74 1826 1489 A 20 VAL HGy% A 32 LEU HBx 1.0 . 3.34 1827 1489 A 20 VAL HGx% A 32 LEU HBx 1.0 . 3.34 1828 1489 A 32 LEU HBy A 20 VAL HGy% 1.0 . 3.34 1829 1489 A 20 VAL HGx% A 32 LEU HBy 1.0 . 3.34 1830 1490 A 32 LEU HDx% A 20 VAL HGy% 1.0 . 3.91 1831 1490 A 32 LEU HDx% A 20 VAL HGx% 1.0 . 3.91 1832 1491 A 97 TYR HEx A 20 VAL HGy% 1.0 . 3.81 1833 1491 A 97 TYR HEx A 20 VAL HGx% 1.0 . 3.81 1834 1492 A 97 TYR HDx A 20 VAL HGy% 1.0 . 4.94 1835 1492 A 97 TYR HDx A 20 VAL HGx% 1.0 . 4.94 1836 1493 A 98 LEU HA A 20 VAL HGy% 1.0 . 4.84 1837 1493 A 98 LEU HA A 20 VAL HGx% 1.0 . 4.84 1838 1494 A 98 LEU HDy% A 20 VAL HGy% 1.0 . 3.57 1839 1494 A 98 LEU HDy% A 20 VAL HGx% 1.0 . 3.57 1840 1495 A 101 ALA HA A 20 VAL HGy% 1.0 . 4.62 1841 1495 A 101 ALA HA A 20 VAL HGx% 1.0 . 4.62 1842 1496 A 101 ALA HB% A 20 VAL HGy% 1.0 . 3.88 1843 1496 A 101 ALA HB% A 20 VAL HGx% 1.0 . 3.88 1844 1497 A 102 THR HG2% A 20 VAL HGy% 1.0 . 3.84 1845 1497 A 102 THR HG2% A 20 VAL HGx% 1.0 . 3.84 1846 1498 A 21 GLU HA A 22 LYS HBy 1.0 . 4.26 1847 1498 A 21 GLU HA A 22 LYS HBx 1.0 . 4.26 1848 1499 A 22 LYS HA A 22 LYS HGy 1.0 . 3.57 1849 1499 A 22 LYS HA A 22 LYS HGx 1.0 . 3.57 1850 1500 A 22 LYS HBx A 22 LYS HDx 1.0 . 3.16 1851 1500 A 22 LYS HBy A 22 LYS HDx 1.0 . 3.16 1852 1500 A 22 LYS HDy A 22 LYS HBy 1.0 . 3.16 1853 1500 A 22 LYS HDy A 22 LYS HBx 1.0 . 3.16 1854 1501 A 22 LYS HBx A 22 LYS HEx 1.0 . 4.39 1855 1501 A 22 LYS HBy A 22 LYS HEx 1.0 . 4.39 1856 1501 A 22 LYS HEy A 22 LYS HBy 1.0 . 4.39 1857 1501 A 22 LYS HEy A 22 LYS HBx 1.0 . 4.39 1858 1502 A 33 HIS HE1 A 22 LYS HBy 1.0 . 4.22 1859 1502 A 33 HIS HE1 A 22 LYS HBx 1.0 . 4.22 1860 1503 A 22 LYS HEy A 22 LYS HGy 1.0 . 3.43 1861 1503 A 22 LYS HEx A 22 LYS HGy 1.0 . 3.43 1862 1503 A 22 LYS HGx A 22 LYS HEx 1.0 . 3.43 1863 1503 A 22 LYS HEy A 22 LYS HGx 1.0 . 3.43 1864 1504 A 25 LYS H A 24 GLY HAx 1.0 . 2.95 1865 1504 A 25 LYS H A 24 GLY HAy 1.0 . 2.95 1866 1505 A 31 ASN HD2y A 24 GLY HAx 1.0 . 4.14 1867 1505 A 31 ASN HD2y A 24 GLY HAy 1.0 . 4.14 1868 1506 A 31 ASN HD2x A 24 GLY HAx 1.0 . 4.01 1869 1506 A 31 ASN HD2x A 24 GLY HAy 1.0 . 4.01 1870 1507 A 25 LYS HA A 25 LYS HGy 1.0 . 3.45 1871 1507 A 25 LYS HA A 25 LYS HGx 1.0 . 3.45 1872 1508 A 25 LYS HBx A 25 LYS HDx 1.0 . 2.48 1873 1508 A 25 LYS HBy A 25 LYS HDx 1.0 . 2.48 1874 1508 A 25 LYS HDy A 25 LYS HBy 1.0 . 2.48 1875 1508 A 25 LYS HDy A 25 LYS HBx 1.0 . 2.48 1876 1509 A 26 HIS H A 25 LYS HGy 1.0 . 4.53 1877 1509 A 26 HIS H A 25 LYS HGx 1.0 . 4.53 1878 1510 A 26 HIS HA A 31 ASN HBy 1.0 . 5.14 1879 1510 A 26 HIS HA A 31 ASN HBx 1.0 . 5.14 1880 1511 A 26 HIS HD2 A 45 GLY HAx 1.0 . 4.48 1881 1511 A 26 HIS HD2 A 45 GLY HAy 1.0 . 4.48 1882 1512 A 26 HIS HE1 A 31 ASN HBy 1.0 . 3.63 1883 1512 A 26 HIS HE1 A 31 ASN HBx 1.0 . 3.63 1884 1513 A 26 HIS HE1 A 44 PRO HDy 1.0 . 4.57 1885 1513 A 26 HIS HE1 A 44 PRO HDx 1.0 . 4.57 1886 1514 A 26 HIS HE1 A 46 TYR HBy 1.0 . 4.16 1887 1514 A 26 HIS HE1 A 46 TYR HBx 1.0 . 4.16 1888 1515 A 27 LYS H A 27 LYS HBy 1.0 . 3.49 1889 1515 A 27 LYS H A 27 LYS HBx 1.0 . 3.49 1890 1516 A 27 LYS H A 27 LYS HDx 1.0 . 4.53 1891 1516 A 27 LYS H A 27 LYS HDy 1.0 . 4.53 1892 1517 A 27 LYS HA A 27 LYS HDx 1.0 . 3.37 1893 1517 A 27 LYS HA A 27 LYS HDy 1.0 . 3.37 1894 1518 A 27 LYS HBx A 27 LYS HEx 1.0 . 3.19 1895 1518 A 27 LYS HEy A 27 LYS HBy 1.0 . 3.19 1896 1518 A 27 LYS HEy A 27 LYS HBx 1.0 . 3.19 1897 1518 A 27 LYS HBy A 27 LYS HEx 1.0 . 3.19 1898 1519 A 29 GLY H A 27 LYS HBy 1.0 . 4.20 1899 1519 A 29 GLY H A 27 LYS HBx 1.0 . 4.20 1900 1520 A 27 LYS HDx A 27 LYS HGx 1.0 . 2.43 1901 1520 A 27 LYS HDy A 27 LYS HGx 1.0 . 2.43 1902 1520 A 27 LYS HGy A 27 LYS HDx 1.0 . 2.43 1903 1520 A 27 LYS HGy A 27 LYS HDy 1.0 . 2.43 1904 1521 A 29 GLY H A 30 PRO HDy 1.0 . 4.68 1905 1521 A 29 GLY H A 30 PRO HDx 1.0 . 4.68 1906 1522 A 29 GLY HAx A 30 PRO HDy 1.0 . 3.20 1907 1522 A 30 PRO HDx A 29 GLY HAx 1.0 . 3.20 1908 1522 A 29 GLY HAy A 30 PRO HDx 1.0 . 3.20 1909 1522 A 29 GLY HAy A 30 PRO HDy 1.0 . 3.20 1910 1523 A 43 ALA HB% A 30 PRO HBx 1.0 . 3.61 1911 1523 A 43 ALA HB% A 30 PRO HBy 1.0 . 3.61 1912 1524 A 32 LEU HDy% A 30 PRO HGx 1.0 . 4.69 1913 1524 A 32 LEU HDy% A 30 PRO HGy 1.0 . 4.69 1914 1525 A 46 TYR HEy A 30 PRO HGx 1.0 . 4.65 1915 1525 A 46 TYR HEy A 30 PRO HGy 1.0 . 4.65 1916 1526 A 48 TYR HEx A 30 PRO HGx 1.0 . 3.52 1917 1526 A 48 TYR HEx A 30 PRO HGy 1.0 . 3.52 1918 1527 A 46 TYR HEy A 30 PRO HDy 1.0 . 4.26 1919 1527 A 46 TYR HEy A 30 PRO HDx 1.0 . 4.26 1920 1528 A 32 LEU H A 32 LEU HBx 1.0 . 3.38 1921 1528 A 32 LEU H A 32 LEU HBy 1.0 . 3.38 1922 1529 A 32 LEU HA A 35 LEU HDx% 1.0 . 4.33 1923 1529 A 32 LEU HA A 35 LEU HDy% 1.0 . 4.33 1924 1530 A 33 HIS H A 32 LEU HBx 1.0 . 4.58 1925 1530 A 33 HIS H A 32 LEU HBy 1.0 . 4.58 1926 1531 A 35 LEU HBx A 32 LEU HBx 1.0 . 4.93 1927 1531 A 35 LEU HBx A 32 LEU HBy 1.0 . 4.93 1928 1532 A 32 LEU HDx% A 35 LEU HDx% 1.0 . 3.85 1929 1532 A 32 LEU HDx% A 35 LEU HDy% 1.0 . 3.85 1930 1533 A 32 LEU HDy% A 35 LEU HDx% 1.0 . 3.10 1931 1533 A 32 LEU HDy% A 35 LEU HDy% 1.0 . 3.10 1932 1534 A 38 ARG HH2% A 34 GLY HAx 1.0 . 4.96 1933 1534 A 38 ARG HH2% A 34 GLY HAy 1.0 . 4.96 1934 1535 A 35 LEU H A 35 LEU HDx% 1.0 . 4.04 1935 1535 A 35 LEU H A 35 LEU HDy% 1.0 . 4.04 1936 1536 A 35 LEU HA A 35 LEU HDx% 1.0 . 3.21 1937 1536 A 35 LEU HA A 35 LEU HDy% 1.0 . 3.21 1938 1537 A 35 LEU HA A 38 ARG HGy 1.0 . 5.28 1939 1537 A 35 LEU HA A 38 ARG HGx 1.0 . 5.28 1940 1538 A 35 LEU HBx A 35 LEU HDx% 1.0 . 3.05 1941 1538 A 35 LEU HBx A 35 LEU HDy% 1.0 . 3.05 1942 1539 A 35 LEU HG A 59 TRP HBx 1.0 . 4.56 1943 1539 A 35 LEU HG A 59 TRP HBy 1.0 . 4.56 1944 1540 A 36 PHE H A 35 LEU HDx% 1.0 . 5.29 1945 1540 A 36 PHE H A 35 LEU HDy% 1.0 . 5.29 1946 1541 A 36 PHE HA A 35 LEU HDx% 1.0 . 5.44 1947 1541 A 36 PHE HA A 35 LEU HDy% 1.0 . 5.44 1948 1542 A 36 PHE HD% A 35 LEU HDx% 1.0 . 4.30 1949 1542 A 36 PHE HD% A 35 LEU HDy% 1.0 . 4.30 1950 1543 A 36 PHE HE% A 35 LEU HDx% 1.0 . 4.20 1951 1543 A 36 PHE HE% A 35 LEU HDy% 1.0 . 4.20 1952 1544 A 38 ARG HH2% A 35 LEU HDx% 1.0 . 4.50 1953 1544 A 38 ARG HH2% A 35 LEU HDy% 1.0 . 4.50 1954 1545 A 35 LEU HDx% A 59 TRP HBx 1.0 . 4.62 1955 1545 A 35 LEU HDy% A 59 TRP HBx 1.0 . 4.62 1956 1545 A 59 TRP HBy A 35 LEU HDx% 1.0 . 4.62 1957 1545 A 35 LEU HDy% A 59 TRP HBy 1.0 . 4.62 1958 1546 A 59 TRP HD1 A 35 LEU HDx% 1.0 . 3.23 1959 1546 A 59 TRP HD1 A 35 LEU HDy% 1.0 . 3.23 1960 1547 A 59 TRP HE1 A 35 LEU HDx% 1.0 . 4.48 1961 1547 A 59 TRP HE1 A 35 LEU HDy% 1.0 . 4.48 1962 1548 A 36 PHE H A 36 PHE HBx 1.0 . 3.31 1963 1548 A 36 PHE H A 36 PHE HBy 1.0 . 3.31 1964 1549 A 36 PHE HA A 59 TRP HBx 1.0 . 4.45 1965 1549 A 36 PHE HA A 59 TRP HBy 1.0 . 4.45 1966 1550 A 38 ARG H A 36 PHE HBx 1.0 . 5.34 1967 1550 A 38 ARG H A 36 PHE HBy 1.0 . 5.34 1968 1551 A 36 PHE HD% A 60 GLY HAx 1.0 . 3.18 1969 1551 A 36 PHE HD% A 60 GLY HAy 1.0 . 3.18 1970 1552 A 36 PHE HD% A 61 GLU HGx 1.0 . 4.48 1971 1552 A 36 PHE HD% A 61 GLU HGy 1.0 . 4.48 1972 1553 A 36 PHE HD% A 64 LEU HDx% 1.0 . 4.27 1973 1553 A 36 PHE HD% A 64 LEU HDy% 1.0 . 4.27 1974 1554 A 36 PHE HD% A 99 LYS HGy 1.0 . 4.87 1975 1554 A 36 PHE HD% A 99 LYS HGx 1.0 . 4.87 1976 1555 A 36 PHE HD% A 99 LYS HDx 1.0 . 4.68 1977 1555 A 36 PHE HD% A 99 LYS HDy 1.0 . 4.68 1978 1556 A 36 PHE HE% A 61 GLU HGx 1.0 . 3.86 1979 1556 A 36 PHE HE% A 61 GLU HGy 1.0 . 3.86 1980 1557 A 36 PHE HE% A 64 LEU HDx% 1.0 . 3.67 1981 1557 A 36 PHE HE% A 64 LEU HDy% 1.0 . 3.67 1982 1558 A 36 PHE HE% A 99 LYS HDx 1.0 . 3.35 1983 1558 A 36 PHE HE% A 99 LYS HDy 1.0 . 3.35 1984 1559 A 36 PHE HZ A 64 LEU HDx% 1.0 . 4.19 1985 1559 A 36 PHE HZ A 64 LEU HDy% 1.0 . 4.19 1986 1560 A 58 ILE HG2% A 37 GLY HAx 1.0 . 3.17 1987 1560 A 58 ILE HG2% A 37 GLY HAy 1.0 . 3.17 1988 1561 A 38 ARG H A 38 ARG HBy 1.0 . 3.39 1989 1561 A 38 ARG H A 38 ARG HBx 1.0 . 3.39 1990 1562 A 38 ARG H A 38 ARG HGy 1.0 . 3.96 1991 1562 A 38 ARG H A 38 ARG HGx 1.0 . 3.96 1992 1563 A 38 ARG H A 59 TRP HBx 1.0 . 4.80 1993 1563 A 38 ARG H A 59 TRP HBy 1.0 . 4.80 1994 1564 A 38 ARG HA A 38 ARG HGy 1.0 . 3.63 1995 1564 A 38 ARG HA A 38 ARG HGx 1.0 . 3.63 1996 1565 A 38 ARG HBy A 38 ARG HGy 1.0 . 2.34 1997 1565 A 38 ARG HGx A 38 ARG HBy 1.0 . 2.34 1998 1565 A 38 ARG HGx A 38 ARG HBx 1.0 . 2.34 1999 1565 A 38 ARG HBx A 38 ARG HGy 1.0 . 2.34 2000 1566 A 38 ARG HBx A 38 ARG HDx 1.0 . 3.43 2001 1566 A 38 ARG HBy A 38 ARG HDx 1.0 . 3.43 2002 1566 A 38 ARG HDy A 38 ARG HBy 1.0 . 3.43 2003 1566 A 38 ARG HDy A 38 ARG HBx 1.0 . 3.43 2004 1567 A 38 ARG HE A 38 ARG HBy 1.0 . 4.33 2005 1567 A 38 ARG HE A 38 ARG HBx 1.0 . 4.33 2006 1568 A 39 LYS H A 38 ARG HGy 1.0 . 3.74 2007 1568 A 39 LYS H A 38 ARG HGx 1.0 . 3.74 2008 1569 A 59 TRP HD1 A 38 ARG HGy 1.0 . 4.63 2009 1569 A 59 TRP HD1 A 38 ARG HGx 1.0 . 4.63 2010 1570 A 39 LYS H A 39 LYS HBy 1.0 . 3.34 2011 1570 A 39 LYS H A 39 LYS HBx 1.0 . 3.34 2012 1571 A 39 LYS HA A 58 ILE HG1y 1.0 . 4.68 2013 1571 A 39 LYS HA A 58 ILE HG1x 1.0 . 4.68 2014 1572 A 39 LYS HBx A 42 GLN HGx 1.0 . 3.99 2015 1572 A 39 LYS HBy A 42 GLN HGx 1.0 . 3.99 2016 1572 A 42 GLN HGy A 39 LYS HBy 1.0 . 3.99 2017 1572 A 42 GLN HGy A 39 LYS HBx 1.0 . 3.99 2018 1573 A 58 ILE HG2% A 39 LYS HBy 1.0 . 5.34 2019 1573 A 58 ILE HG2% A 39 LYS HBx 1.0 . 5.34 2020 1574 A 40 THR H A 56 GLY HAx 1.0 . 4.79 2021 1574 A 40 THR H A 56 GLY HAy 1.0 . 4.79 2022 1575 A 40 THR HG2% A 55 LYS HBy 1.0 . 3.72 2023 1575 A 40 THR HG2% A 55 LYS HBx 1.0 . 3.72 2024 1576 A 40 THR HG2% A 57 ILE HG1y 1.0 . 3.65 2025 1576 A 40 THR HG2% A 57 ILE HG1x 1.0 . 3.65 2026 1577 A 41 GLY HAy A 53 LYS HGy 1.0 . 4.26 2027 1577 A 41 GLY HAy A 53 LYS HGx 1.0 . 4.26 2028 1578 A 42 GLN HA A 42 GLN HE2x 1.0 . 4.62 2029 1578 A 42 GLN HA A 42 GLN HE2y 1.0 . 4.62 2030 1579 A 42 GLN HBy A 42 GLN HE2x 1.0 . 4.51 2031 1579 A 42 GLN HBx A 42 GLN HE2x 1.0 . 4.51 2032 1579 A 42 GLN HE2y A 42 GLN HBy 1.0 . 4.51 2033 1579 A 42 GLN HE2y A 42 GLN HBx 1.0 . 4.51 2034 1580 A 42 GLN HE2y A 42 GLN HGx 1.0 . 3.31 2035 1580 A 42 GLN HE2x A 42 GLN HGx 1.0 . 3.31 2036 1580 A 42 GLN HGy A 42 GLN HE2x 1.0 . 3.31 2037 1580 A 42 GLN HGy A 42 GLN HE2y 1.0 . 3.31 2038 1581 A 43 ALA HA A 44 PRO HGx 1.0 . 4.13 2039 1581 A 43 ALA HA A 44 PRO HGy 1.0 . 4.13 2040 1582 A 43 ALA HA A 44 PRO HDy 1.0 . 2.78 2041 1582 A 43 ALA HA A 44 PRO HDx 1.0 . 2.78 2042 1583 A 43 ALA HB% A 46 TYR HBy 1.0 . 4.04 2043 1583 A 43 ALA HB% A 46 TYR HBx 1.0 . 4.04 2044 1584 A 46 TYR H A 46 TYR HBy 1.0 . 3.30 2045 1584 A 46 TYR H A 46 TYR HBx 1.0 . 3.30 2046 1585 A 46 TYR HEx A 46 TYR HBy 1.0 . 4.84 2047 1585 A 46 TYR HEx A 46 TYR HBx 1.0 . 4.84 2048 1586 A 48 TYR HEy A 46 TYR HBy 1.0 . 4.43 2049 1586 A 48 TYR HEy A 46 TYR HBx 1.0 . 4.43 2050 1587 A 46 TYR HEy A 48 TYR HBy 1.0 . 5.27 2051 1587 A 46 TYR HEy A 48 TYR HBx 1.0 . 5.27 2052 1588 A 48 TYR H A 47 SER HBx 1.0 . 3.94 2053 1588 A 48 TYR H A 47 SER HBy 1.0 . 3.94 2054 1589 A 48 TYR H A 48 TYR HBy 1.0 . 3.14 2055 1589 A 48 TYR H A 48 TYR HBx 1.0 . 3.14 2056 1590 A 48 TYR HA A 79 LYS HEy 1.0 . 4.48 2057 1590 A 48 TYR HA A 79 LYS HEx 1.0 . 4.48 2058 1591 A 48 TYR HDy A 48 TYR HBy 1.0 . 3.29 2059 1591 A 48 TYR HDy A 48 TYR HBx 1.0 . 3.29 2060 1592 A 48 TYR HEy A 48 TYR HBy 1.0 . 4.69 2061 1592 A 48 TYR HEy A 48 TYR HBx 1.0 . 4.69 2062 1593 A 49 THR H A 48 TYR HBy 1.0 . 3.72 2063 1593 A 49 THR H A 48 TYR HBx 1.0 . 3.72 2064 1594 A 48 TYR HBy A 52 ASN HBy 1.0 . 4.51 2065 1594 A 48 TYR HBx A 52 ASN HBy 1.0 . 4.51 2066 1594 A 52 ASN HBx A 48 TYR HBy 1.0 . 4.51 2067 1594 A 48 TYR HBx A 52 ASN HBx 1.0 . 4.51 2068 1595 A 48 TYR HBx A 53 LYS HGy 1.0 . 3.80 2069 1595 A 53 LYS HGx A 48 TYR HBy 1.0 . 3.80 2070 1595 A 53 LYS HGx A 48 TYR HBx 1.0 . 3.80 2071 1595 A 48 TYR HBy A 53 LYS HGy 1.0 . 3.80 2072 1596 A 53 LYS HDx A 48 TYR HBy 1.0 . 4.66 2073 1596 A 53 LYS HDx A 48 TYR HBx 1.0 . 4.66 2074 1597 A 48 TYR HDy A 52 ASN HBy 1.0 . 3.93 2075 1597 A 48 TYR HDy A 52 ASN HBx 1.0 . 3.93 2076 1598 A 49 THR H A 52 ASN HBy 1.0 . 4.07 2077 1598 A 49 THR H A 52 ASN HBx 1.0 . 4.07 2078 1599 A 49 THR H A 79 LYS HEy 1.0 . 4.59 2079 1599 A 49 THR H A 79 LYS HEx 1.0 . 4.59 2080 1600 A 49 THR HA A 79 LYS HEy 1.0 . 4.66 2081 1600 A 49 THR HA A 79 LYS HEx 1.0 . 4.66 2082 1601 A 49 THR HB A 52 ASN HBy 1.0 . 4.33 2083 1601 A 49 THR HB A 52 ASN HBx 1.0 . 4.33 2084 1602 A 49 THR HG2% A 79 LYS HBx 1.0 . 4.63 2085 1602 A 49 THR HG2% A 79 LYS HBy 1.0 . 4.63 2086 1603 A 49 THR HG2% A 79 LYS HEy 1.0 . 3.26 2087 1603 A 49 THR HG2% A 79 LYS HEx 1.0 . 3.26 2088 1604 A 50 ALA HA A 53 LYS HGy 1.0 . 5.34 2089 1604 A 50 ALA HA A 53 LYS HGx 1.0 . 5.34 2090 1605 A 50 ALA HA A 53 LYS HEy 1.0 . 4.16 2091 1605 A 50 ALA HA A 53 LYS HEx 1.0 . 4.16 2092 1606 A 54 ASN HD2y A 50 ALA HB% 1.0 . 4.03 2093 1606 A 50 ALA HB% A 54 ASN HD2x 1.0 . 4.03 2094 1607 A 52 ASN H A 52 ASN HBy 1.0 . 3.19 2095 1607 A 52 ASN H A 52 ASN HBx 1.0 . 3.19 2096 1608 A 53 LYS H A 52 ASN HBy 1.0 . 3.62 2097 1608 A 53 LYS H A 52 ASN HBx 1.0 . 3.62 2098 1609 A 53 LYS HDx A 52 ASN HBy 1.0 . 4.69 2099 1609 A 53 LYS HDx A 52 ASN HBx 1.0 . 4.69 2100 1610 A 75 ILE HG2% A 52 ASN HBy 1.0 . 4.02 2101 1610 A 75 ILE HG2% A 52 ASN HBx 1.0 . 4.02 2102 1611 A 53 LYS H A 53 LYS HGy 1.0 . 3.09 2103 1611 A 53 LYS H A 53 LYS HGx 1.0 . 3.09 2104 1612 A 53 LYS HA A 53 LYS HGy 1.0 . 3.45 2105 1612 A 53 LYS HA A 53 LYS HGx 1.0 . 3.45 2106 1613 A 53 LYS HBx A 53 LYS HEy 1.0 . 4.06 2107 1613 A 53 LYS HBy A 53 LYS HEy 1.0 . 4.06 2108 1613 A 53 LYS HEx A 53 LYS HBx 1.0 . 4.06 2109 1613 A 53 LYS HBy A 53 LYS HEx 1.0 . 4.06 2110 1614 A 54 ASN H A 53 LYS HGy 1.0 . 5.34 2111 1614 A 54 ASN H A 53 LYS HGx 1.0 . 5.34 2112 1615 A 54 ASN HD2y A 54 ASN HBx 1.0 . 3.39 2113 1615 A 54 ASN HBy A 54 ASN HD2y 1.0 . 3.39 2114 1615 A 54 ASN HBy A 54 ASN HD2x 1.0 . 3.39 2115 1615 A 54 ASN HD2x A 54 ASN HBx 1.0 . 3.39 2116 1616 A 54 ASN HBy A 55 LYS HDx 1.0 . 5.19 2117 1616 A 54 ASN HBx A 55 LYS HDx 1.0 . 5.19 2118 1616 A 55 LYS HDy A 54 ASN HBx 1.0 . 5.19 2119 1616 A 54 ASN HBy A 55 LYS HDy 1.0 . 5.19 2120 1617 A 55 LYS H A 55 LYS HDx 1.0 . 3.73 2121 1617 A 55 LYS H A 55 LYS HDy 1.0 . 3.73 2122 1618 A 55 LYS HA A 55 LYS HDx 1.0 . 2.74 2123 1618 A 55 LYS HA A 55 LYS HDy 1.0 . 2.74 2124 1619 A 55 LYS HA A 55 LYS HEy 1.0 . 3.62 2125 1619 A 55 LYS HA A 55 LYS HEx 1.0 . 3.62 2126 1620 A 55 LYS HBx A 55 LYS HDx 1.0 . 3.08 2127 1620 A 55 LYS HBy A 55 LYS HDx 1.0 . 3.08 2128 1620 A 55 LYS HDy A 55 LYS HBy 1.0 . 3.08 2129 1620 A 55 LYS HBx A 55 LYS HDy 1.0 . 3.08 2130 1621 A 55 LYS HBx A 55 LYS HEy 1.0 . 3.60 2131 1621 A 55 LYS HBy A 55 LYS HEy 1.0 . 3.60 2132 1621 A 55 LYS HEx A 55 LYS HBy 1.0 . 3.60 2133 1621 A 55 LYS HBx A 55 LYS HEx 1.0 . 3.60 2134 1622 A 56 GLY H A 55 LYS HBy 1.0 . 4.14 2135 1622 A 56 GLY H A 55 LYS HBx 1.0 . 4.14 2136 1623 A 74 TYR HA A 55 LYS HDx 1.0 . 4.71 2137 1623 A 74 TYR HA A 55 LYS HDy 1.0 . 4.71 2138 1624 A 74 TYR HD% A 55 LYS HDx 1.0 . 4.12 2139 1624 A 74 TYR HD% A 55 LYS HDy 1.0 . 4.12 2140 1625 A 75 ILE HG2% A 55 LYS HDx 1.0 . 4.92 2141 1625 A 75 ILE HG2% A 55 LYS HDy 1.0 . 4.92 2142 1626 A 55 LYS HDx A 75 ILE HG1y 1.0 . 4.60 2143 1626 A 75 ILE HG1x A 55 LYS HDx 1.0 . 4.60 2144 1626 A 55 LYS HDy A 75 ILE HG1x 1.0 . 4.60 2145 1626 A 55 LYS HDy A 75 ILE HG1y 1.0 . 4.60 2146 1627 A 57 ILE HG2% A 55 LYS HEy 1.0 . 3.69 2147 1627 A 57 ILE HG2% A 55 LYS HEx 1.0 . 3.69 2148 1628 A 55 LYS HEy A 57 ILE HG1y 1.0 . 4.44 2149 1628 A 57 ILE HG1x A 55 LYS HEy 1.0 . 4.44 2150 1628 A 57 ILE HG1x A 55 LYS HEx 1.0 . 4.44 2151 1628 A 55 LYS HEx A 57 ILE HG1y 1.0 . 4.44 2152 1629 A 57 ILE H A 57 ILE HG1y 1.0 . 3.26 2153 1629 A 57 ILE H A 57 ILE HG1x 1.0 . 3.26 2154 1630 A 57 ILE HG2% A 57 ILE HG1y 1.0 . 3.42 2155 1630 A 57 ILE HG2% A 57 ILE HG1x 1.0 . 3.42 2156 1631 A 58 ILE H A 57 ILE HG1y 1.0 . 4.91 2157 1631 A 58 ILE H A 57 ILE HG1x 1.0 . 4.91 2158 1632 A 63 THR HB A 57 ILE HG1y 1.0 . 4.53 2159 1632 A 63 THR HB A 57 ILE HG1x 1.0 . 4.53 2160 1633 A 74 TYR HE% A 57 ILE HG1y 1.0 . 3.42 2161 1633 A 74 TYR HE% A 57 ILE HG1x 1.0 . 3.42 2162 1634 A 57 ILE HD1% A 59 TRP HBx 1.0 . 4.84 2163 1634 A 57 ILE HD1% A 59 TRP HBy 1.0 . 4.84 2164 1635 A 58 ILE H A 58 ILE HG1y 1.0 . 3.53 2165 1635 A 58 ILE H A 58 ILE HG1x 1.0 . 3.53 2166 1636 A 58 ILE HA A 58 ILE HG1y 1.0 . 3.69 2167 1636 A 58 ILE HA A 58 ILE HG1x 1.0 . 3.69 2168 1637 A 58 ILE HG2% A 58 ILE HG1y 1.0 . 3.40 2169 1637 A 58 ILE HG2% A 58 ILE HG1x 1.0 . 3.40 2170 1638 A 59 TRP H A 59 TRP HBx 1.0 . 3.27 2171 1638 A 59 TRP H A 59 TRP HBy 1.0 . 3.27 2172 1639 A 59 TRP HD1 A 59 TRP HBx 1.0 . 3.23 2173 1639 A 59 TRP HD1 A 59 TRP HBy 1.0 . 3.23 2174 1640 A 60 GLY H A 59 TRP HBx 1.0 . 3.96 2175 1640 A 60 GLY H A 59 TRP HBy 1.0 . 3.96 2176 1641 A 59 TRP HBx A 64 LEU HDx% 1.0 . 4.30 2177 1641 A 59 TRP HBy A 64 LEU HDx% 1.0 . 4.30 2178 1641 A 64 LEU HDy% A 59 TRP HBx 1.0 . 4.30 2179 1641 A 59 TRP HBy A 64 LEU HDy% 1.0 . 4.30 2180 1642 A 59 TRP HE3 A 64 LEU HDx% 1.0 . 3.95 2181 1642 A 59 TRP HE3 A 64 LEU HDy% 1.0 . 3.95 2182 1643 A 59 TRP HZ3 A 64 LEU HDx% 1.0 . 4.17 2183 1643 A 59 TRP HZ3 A 64 LEU HDy% 1.0 . 4.17 2184 1644 A 59 TRP HH2 A 75 ILE HG1y 1.0 . 4.45 2185 1644 A 59 TRP HH2 A 75 ILE HG1x 1.0 . 4.45 2186 1645 A 60 GLY H A 64 LEU HDx% 1.0 . 4.88 2187 1645 A 60 GLY H A 64 LEU HDy% 1.0 . 4.88 2188 1646 A 62 ASP H A 60 GLY HAx 1.0 . 4.77 2189 1646 A 62 ASP H A 60 GLY HAy 1.0 . 4.77 2190 1647 A 63 THR H A 60 GLY HAx 1.0 . 5.34 2191 1647 A 63 THR H A 60 GLY HAy 1.0 . 5.34 2192 1648 A 60 GLY HAx A 64 LEU HDx% 1.0 . 5.16 2193 1648 A 60 GLY HAy A 64 LEU HDx% 1.0 . 5.16 2194 1648 A 64 LEU HDy% A 60 GLY HAx 1.0 . 5.16 2195 1648 A 60 GLY HAy A 64 LEU HDy% 1.0 . 5.16 2196 1649 A 61 GLU H A 61 GLU HGx 1.0 . 4.20 2197 1649 A 61 GLU H A 61 GLU HGy 1.0 . 4.20 2198 1650 A 61 GLU HA A 61 GLU HGx 1.0 . 3.36 2199 1650 A 61 GLU HA A 61 GLU HGy 1.0 . 3.36 2200 1651 A 61 GLU HA A 64 LEU HDx% 1.0 . 4.31 2201 1651 A 61 GLU HA A 64 LEU HDy% 1.0 . 4.31 2202 1652 A 62 ASP H A 61 GLU HGx 1.0 . 4.78 2203 1652 A 62 ASP H A 61 GLU HGy 1.0 . 4.78 2204 1653 A 62 ASP H A 62 ASP HBx 1.0 . 3.06 2205 1653 A 62 ASP H A 62 ASP HBy 1.0 . 3.06 2206 1654 A 62 ASP HA A 65 MET HBy 1.0 . 3.65 2207 1654 A 62 ASP HA A 65 MET HBx 1.0 . 3.65 2208 1655 A 64 LEU HA A 64 LEU HDx% 1.0 . 3.08 2209 1655 A 64 LEU HA A 64 LEU HDy% 1.0 . 3.08 2210 1656 A 64 LEU HBy A 64 LEU HDx% 1.0 . 3.11 2211 1656 A 64 LEU HBy A 64 LEU HDy% 1.0 . 3.11 2212 1657 A 67 TYR HBx A 64 LEU HDx% 1.0 . 4.50 2213 1657 A 67 TYR HBx A 64 LEU HDy% 1.0 . 4.50 2214 1658 A 67 TYR HBy A 64 LEU HDx% 1.0 . 4.12 2215 1658 A 67 TYR HBy A 64 LEU HDy% 1.0 . 4.12 2216 1659 A 68 LEU H A 64 LEU HDx% 1.0 . 4.86 2217 1659 A 68 LEU H A 64 LEU HDy% 1.0 . 4.86 2218 1660 A 95 ILE HA A 64 LEU HDx% 1.0 . 5.44 2219 1660 A 95 ILE HA A 64 LEU HDy% 1.0 . 5.44 2220 1661 A 95 ILE HG2% A 64 LEU HDx% 1.0 . 3.75 2221 1661 A 95 ILE HG2% A 64 LEU HDy% 1.0 . 3.75 2222 1662 A 95 ILE HG1x A 64 LEU HDx% 1.0 . 4.06 2223 1662 A 95 ILE HG1x A 64 LEU HDy% 1.0 . 4.06 2224 1663 A 98 LEU HDx% A 64 LEU HDx% 1.0 . 3.77 2225 1663 A 98 LEU HDx% A 64 LEU HDy% 1.0 . 3.77 2226 1664 A 65 MET H A 65 MET HBy 1.0 . 3.11 2227 1664 A 65 MET H A 65 MET HBx 1.0 . 3.11 2228 1665 A 65 MET H A 65 MET HGx 1.0 . 4.02 2229 1665 A 65 MET H A 65 MET HGy 1.0 . 4.02 2230 1666 A 65 MET HA A 65 MET HGx 1.0 . 3.61 2231 1666 A 65 MET HA A 65 MET HGy 1.0 . 3.61 2232 1667 A 65 MET HA A 91 ARG HDy 1.0 . 3.91 2233 1667 A 65 MET HA A 91 ARG HDx 1.0 . 3.91 2234 1668 A 65 MET HE% A 65 MET HBy 1.0 . 2.82 2235 1668 A 65 MET HE% A 65 MET HBx 1.0 . 2.82 2236 1669 A 95 ILE HD1% A 65 MET HBy 1.0 . 4.12 2237 1669 A 95 ILE HD1% A 65 MET HBx 1.0 . 4.12 2238 1670 A 65 MET HE% A 65 MET HGx 1.0 . 3.24 2239 1670 A 65 MET HE% A 65 MET HGy 1.0 . 3.24 2240 1671 A 95 ILE HD1% A 65 MET HGx 1.0 . 3.74 2241 1671 A 95 ILE HD1% A 65 MET HGy 1.0 . 3.74 2242 1672 A 66 GLU H A 66 GLU HGx 1.0 . 4.13 2243 1672 A 66 GLU H A 66 GLU HGy 1.0 . 4.13 2244 1673 A 66 GLU HA A 66 GLU HBy 1.0 . 2.64 2245 1673 A 66 GLU HA A 66 GLU HBx 1.0 . 2.64 2246 1674 A 66 GLU HA A 66 GLU HGx 1.0 . 3.11 2247 1674 A 66 GLU HA A 66 GLU HGy 1.0 . 3.11 2248 1675 A 67 TYR H A 66 GLU HBy 1.0 . 3.39 2249 1675 A 67 TYR H A 66 GLU HBx 1.0 . 3.39 2250 1676 A 74 TYR HD% A 66 GLU HBy 1.0 . 3.95 2251 1676 A 74 TYR HD% A 66 GLU HBx 1.0 . 3.95 2252 1677 A 74 TYR HE% A 66 GLU HBy 1.0 . 3.79 2253 1677 A 74 TYR HE% A 66 GLU HBx 1.0 . 3.79 2254 1678 A 67 TYR H A 66 GLU HGx 1.0 . 4.65 2255 1678 A 67 TYR H A 66 GLU HGy 1.0 . 4.65 2256 1679 A 74 TYR HD% A 66 GLU HGx 1.0 . 3.42 2257 1679 A 74 TYR HD% A 66 GLU HGy 1.0 . 3.42 2258 1680 A 74 TYR HE% A 66 GLU HGx 1.0 . 3.85 2259 1680 A 74 TYR HE% A 66 GLU HGy 1.0 . 3.85 2260 1681 A 67 TYR H A 68 LEU HDx% 1.0 . 5.24 2261 1681 A 67 TYR H A 68 LEU HDy% 1.0 . 5.24 2262 1682 A 68 LEU H A 68 LEU HBx 1.0 . 3.12 2263 1682 A 68 LEU H A 68 LEU HBy 1.0 . 3.12 2264 1683 A 68 LEU H A 68 LEU HDx% 1.0 . 3.50 2265 1683 A 68 LEU H A 68 LEU HDy% 1.0 . 3.50 2266 1684 A 68 LEU HA A 68 LEU HDx% 1.0 . 3.09 2267 1684 A 68 LEU HA A 68 LEU HDy% 1.0 . 3.09 2268 1685 A 68 LEU HA A 71 PRO HGx 1.0 . 4.13 2269 1685 A 68 LEU HA A 71 PRO HGy 1.0 . 4.13 2270 1686 A 68 LEU HBx A 68 LEU HDx% 1.0 . 2.81 2271 1686 A 68 LEU HBy A 68 LEU HDx% 1.0 . 2.81 2272 1686 A 68 LEU HDy% A 68 LEU HBx 1.0 . 2.81 2273 1686 A 68 LEU HDy% A 68 LEU HBy 1.0 . 2.81 2274 1687 A 69 GLU H A 68 LEU HDx% 1.0 . 4.70 2275 1687 A 69 GLU H A 68 LEU HDy% 1.0 . 4.70 2276 1688 A 80 MET HE% A 68 LEU HDx% 1.0 . 3.73 2277 1688 A 80 MET HE% A 68 LEU HDy% 1.0 . 3.73 2278 1689 A 82 PHE HD% A 68 LEU HDx% 1.0 . 4.85 2279 1689 A 82 PHE HD% A 68 LEU HDy% 1.0 . 4.85 2280 1690 A 68 LEU HDx% A 94 LEU HDx% 1.0 . 3.71 2281 1690 A 68 LEU HDy% A 94 LEU HDx% 1.0 . 3.71 2282 1690 A 94 LEU HDy% A 68 LEU HDx% 1.0 . 3.71 2283 1690 A 94 LEU HDy% A 68 LEU HDy% 1.0 . 3.71 2284 1691 A 69 GLU H A 69 GLU HGx 1.0 . 4.09 2285 1691 A 69 GLU H A 69 GLU HGy 1.0 . 4.09 2286 1692 A 69 GLU HA A 69 GLU HGx 1.0 . 3.22 2287 1692 A 69 GLU HA A 69 GLU HGy 1.0 . 3.22 2288 1693 A 69 GLU HA A 91 ARG HDy 1.0 . 3.58 2289 1693 A 69 GLU HA A 91 ARG HDx 1.0 . 3.58 2290 1694 A 69 GLU HBx A 69 GLU HGx 1.0 . 2.27 2291 1694 A 69 GLU HBy A 69 GLU HGx 1.0 . 2.27 2292 1694 A 69 GLU HGy A 69 GLU HBy 1.0 . 2.27 2293 1694 A 69 GLU HGy A 69 GLU HBx 1.0 . 2.27 2294 1695 A 70 ASN H A 69 GLU HBy 1.0 . 3.58 2295 1695 A 70 ASN H A 69 GLU HBx 1.0 . 3.58 2296 1696 A 70 ASN H A 69 GLU HGx 1.0 . 4.11 2297 1696 A 70 ASN H A 69 GLU HGy 1.0 . 4.11 2298 1697 A 69 GLU HGx A 70 ASN HBx 1.0 . 4.03 2299 1697 A 69 GLU HGy A 70 ASN HBx 1.0 . 4.03 2300 1697 A 70 ASN HBy A 69 GLU HGx 1.0 . 4.03 2301 1697 A 70 ASN HBy A 69 GLU HGy 1.0 . 4.03 2302 1698 A 70 ASN HD2x A 69 GLU HGx 1.0 . 4.72 2303 1698 A 70 ASN HD2x A 69 GLU HGy 1.0 . 4.72 2304 1698 A 70 ASN HD2y A 69 GLU HGy 1.0 . 4.72 2305 1698 A 70 ASN HD2y A 69 GLU HGx 1.0 . 4.72 2306 1699 A 70 ASN H A 71 PRO HDy 1.0 . 3.77 2307 1699 A 70 ASN H A 71 PRO HDx 1.0 . 3.77 2308 1700 A 70 ASN HA A 71 PRO HDy 1.0 . 3.08 2309 1700 A 70 ASN HA A 71 PRO HDx 1.0 . 3.08 2310 1701 A 70 ASN HBy A 70 ASN HD2x 1.0 . 3.43 2311 1701 A 70 ASN HD2y A 70 ASN HBx 1.0 . 3.43 2312 1701 A 70 ASN HD2x A 70 ASN HBx 1.0 . 3.43 2313 1701 A 70 ASN HBy A 70 ASN HD2y 1.0 . 3.43 2314 1702 A 70 ASN HD2y A 73 LYS HBy 1.0 . 3.68 2315 1702 A 70 ASN HD2y A 73 LYS HBx 1.0 . 3.68 2316 1702 A 70 ASN HD2x A 73 LYS HBx 1.0 . 3.68 2317 1702 A 70 ASN HD2x A 73 LYS HBy 1.0 . 3.68 2318 1703 A 72 LYS H A 71 PRO HBx 1.0 . 3.75 2319 1703 A 72 LYS H A 71 PRO HBy 1.0 . 3.75 2320 1704 A 80 MET HE% A 71 PRO HBx 1.0 . 3.11 2321 1704 A 80 MET HE% A 71 PRO HBy 1.0 . 3.11 2322 1705 A 80 MET HE% A 71 PRO HGx 1.0 . 2.99 2323 1705 A 80 MET HE% A 71 PRO HGy 1.0 . 2.99 2324 1706 A 82 PHE HD% A 71 PRO HGx 1.0 . 3.59 2325 1706 A 82 PHE HD% A 71 PRO HGy 1.0 . 3.59 2326 1707 A 82 PHE HE% A 71 PRO HGx 1.0 . 4.94 2327 1707 A 82 PHE HE% A 71 PRO HGy 1.0 . 4.94 2328 1708 A 71 PRO HGx A 84 GLY HAx 1.0 . 4.43 2329 1708 A 71 PRO HGy A 84 GLY HAx 1.0 . 4.43 2330 1708 A 84 GLY HAy A 71 PRO HGx 1.0 . 4.43 2331 1708 A 71 PRO HGy A 84 GLY HAy 1.0 . 4.43 2332 1709 A 72 LYS H A 71 PRO HDy 1.0 . 4.10 2333 1709 A 72 LYS H A 71 PRO HDx 1.0 . 4.10 2334 1710 A 73 LYS H A 71 PRO HDy 1.0 . 4.70 2335 1710 A 73 LYS H A 71 PRO HDx 1.0 . 4.70 2336 1711 A 82 PHE HBy A 71 PRO HDy 1.0 . 4.97 2337 1711 A 82 PHE HBy A 71 PRO HDx 1.0 . 4.97 2338 1712 A 72 LYS H A 72 LYS HBy 1.0 . 3.21 2339 1712 A 72 LYS H A 72 LYS HBx 1.0 . 3.21 2340 1713 A 72 LYS H A 72 LYS HGy 1.0 . 3.75 2341 1713 A 72 LYS H A 72 LYS HGx 1.0 . 3.75 2342 1714 A 72 LYS HBy A 72 LYS HDx 1.0 . 2.40 2343 1714 A 72 LYS HDy A 72 LYS HBy 1.0 . 2.40 2344 1714 A 72 LYS HDy A 72 LYS HBx 1.0 . 2.40 2345 1714 A 72 LYS HBx A 72 LYS HDx 1.0 . 2.40 2346 1715 A 72 LYS HEy A 72 LYS HGy 1.0 . 3.43 2347 1715 A 72 LYS HEx A 72 LYS HGy 1.0 . 3.43 2348 1715 A 72 LYS HGx A 72 LYS HEx 1.0 . 3.43 2349 1715 A 72 LYS HEy A 72 LYS HGx 1.0 . 3.43 2350 1716 A 73 LYS H A 72 LYS HGy 1.0 . 4.31 2351 1716 A 73 LYS H A 72 LYS HGx 1.0 . 4.31 2352 1717 A 73 LYS HA A 72 LYS HGy 1.0 . 4.70 2353 1717 A 73 LYS HA A 72 LYS HGx 1.0 . 4.70 2354 1718 A 73 LYS H A 73 LYS HBy 1.0 . 2.90 2355 1718 A 73 LYS H A 73 LYS HBx 1.0 . 2.90 2356 1719 A 73 LYS H A 73 LYS HGy 1.0 . 3.71 2357 1719 A 73 LYS H A 73 LYS HGx 1.0 . 3.71 2358 1720 A 73 LYS HA A 73 LYS HGy 1.0 . 3.29 2359 1720 A 73 LYS HA A 73 LYS HGx 1.0 . 3.29 2360 1721 A 73 LYS HBx A 73 LYS HGy 1.0 . 2.40 2361 1721 A 73 LYS HBy A 73 LYS HGy 1.0 . 2.40 2362 1721 A 73 LYS HGx A 73 LYS HBy 1.0 . 2.40 2363 1721 A 73 LYS HBx A 73 LYS HGx 1.0 . 2.40 2364 1722 A 74 TYR HBx A 75 ILE HG1y 1.0 . 4.57 2365 1722 A 74 TYR HBx A 75 ILE HG1x 1.0 . 4.57 2366 1723 A 74 TYR HD% A 75 ILE HG1y 1.0 . 2.89 2367 1723 A 74 TYR HD% A 75 ILE HG1x 1.0 . 2.89 2368 1724 A 74 TYR HE% A 75 ILE HG1y 1.0 . 4.77 2369 1724 A 74 TYR HE% A 75 ILE HG1x 1.0 . 4.77 2370 1725 A 75 ILE H A 75 ILE HG1y 1.0 . 3.67 2371 1725 A 75 ILE H A 75 ILE HG1x 1.0 . 3.67 2372 1726 A 75 ILE HA A 75 ILE HG1y 1.0 . 3.73 2373 1726 A 75 ILE HA A 75 ILE HG1x 1.0 . 3.73 2374 1727 A 75 ILE HB A 75 ILE HG1y 1.0 . 2.59 2375 1727 A 75 ILE HB A 75 ILE HG1x 1.0 . 2.59 2376 1728 A 75 ILE HG2% A 75 ILE HG1y 1.0 . 3.21 2377 1728 A 75 ILE HG2% A 75 ILE HG1x 1.0 . 3.21 2378 1729 A 75 ILE HG2% A 76 PRO HDy 1.0 . 4.78 2379 1729 A 75 ILE HG2% A 76 PRO HDx 1.0 . 4.78 2380 1730 A 75 ILE HG1y A 76 PRO HDy 1.0 . 5.18 2381 1730 A 75 ILE HG1x A 76 PRO HDy 1.0 . 5.18 2382 1730 A 76 PRO HDx A 75 ILE HG1y 1.0 . 5.18 2383 1730 A 75 ILE HG1x A 76 PRO HDx 1.0 . 5.18 2384 1731 A 78 THR HG2% A 80 MET HBy 1.0 . 3.96 2385 1731 A 78 THR HG2% A 80 MET HBx 1.0 . 3.96 2386 1732 A 79 LYS H A 79 LYS HBx 1.0 . 3.61 2387 1732 A 79 LYS H A 79 LYS HBy 1.0 . 3.61 2388 1733 A 79 LYS H A 79 LYS HGy 1.0 . 3.29 2389 1733 A 79 LYS H A 79 LYS HGx 1.0 . 3.29 2390 1734 A 79 LYS H A 79 LYS HEy 1.0 . 4.67 2391 1734 A 79 LYS H A 79 LYS HEx 1.0 . 4.67 2392 1735 A 79 LYS H A 80 MET HBy 1.0 . 5.19 2393 1735 A 79 LYS H A 80 MET HBx 1.0 . 5.19 2394 1736 A 79 LYS HA A 79 LYS HDx 1.0 . 4.73 2395 1736 A 79 LYS HA A 79 LYS HDy 1.0 . 4.73 2396 1737 A 79 LYS HBx A 79 LYS HDx 1.0 . 2.76 2397 1737 A 79 LYS HBy A 79 LYS HDx 1.0 . 2.76 2398 1737 A 79 LYS HDy A 79 LYS HBx 1.0 . 2.76 2399 1737 A 79 LYS HBy A 79 LYS HDy 1.0 . 2.76 2400 1738 A 80 MET H A 79 LYS HBx 1.0 . 4.63 2401 1738 A 80 MET H A 79 LYS HBy 1.0 . 4.63 2402 1739 A 79 LYS HDx A 79 LYS HGy 1.0 . 2.37 2403 1739 A 79 LYS HGx A 79 LYS HDx 1.0 . 2.37 2404 1739 A 79 LYS HGx A 79 LYS HDy 1.0 . 2.37 2405 1739 A 79 LYS HDy A 79 LYS HGy 1.0 . 2.37 2406 1740 A 80 MET H A 80 MET HBy 1.0 . 3.34 2407 1740 A 80 MET H A 80 MET HBx 1.0 . 3.34 2408 1741 A 80 MET HA A 80 MET HGx 1.0 . 3.60 2409 1741 A 80 MET HA A 80 MET HGy 1.0 . 3.60 2410 1742 A 80 MET HE% A 80 MET HGx 1.0 . 3.02 2411 1742 A 80 MET HE% A 80 MET HGy 1.0 . 3.02 2412 1743 A 81 ILE H A 80 MET HGx 1.0 . 4.21 2413 1743 A 81 ILE H A 80 MET HGy 1.0 . 4.21 2414 1744 A 82 PHE H A 80 MET HGx 1.0 . 4.88 2415 1744 A 82 PHE H A 80 MET HGy 1.0 . 4.88 2416 1745 A 82 PHE HBy A 80 MET HGx 1.0 . 4.08 2417 1745 A 82 PHE HBy A 80 MET HGy 1.0 . 4.08 2418 1746 A 81 ILE H A 81 ILE HG1y 1.0 . 3.52 2419 1746 A 81 ILE H A 81 ILE HG1x 1.0 . 3.52 2420 1747 A 81 ILE HG2% A 81 ILE HG1y 1.0 . 3.27 2421 1747 A 81 ILE HG2% A 81 ILE HG1x 1.0 . 3.27 2422 1748 A 82 PHE H A 81 ILE HG1y 1.0 . 5.11 2423 1748 A 82 PHE H A 81 ILE HG1x 1.0 . 5.11 2424 1749 A 82 PHE HA A 83 VAL HGy% 1.0 . 4.03 2425 1749 A 82 PHE HA A 83 VAL HGx% 1.0 . 4.03 2426 1750 A 82 PHE HD% A 84 GLY HAx 1.0 . 3.82 2427 1750 A 82 PHE HD% A 84 GLY HAy 1.0 . 3.82 2428 1751 A 82 PHE HE% A 83 VAL HGy% 1.0 . 4.54 2429 1751 A 82 PHE HE% A 83 VAL HGx% 1.0 . 4.54 2430 1752 A 82 PHE HE% A 84 GLY HAx 1.0 . 3.80 2431 1752 A 82 PHE HE% A 84 GLY HAy 1.0 . 3.80 2432 1753 A 82 PHE HE% A 85 ILE HG1y 1.0 . 3.68 2433 1753 A 82 PHE HE% A 85 ILE HG1x 1.0 . 3.68 2434 1754 A 82 PHE HZ A 85 ILE HG1y 1.0 . 3.49 2435 1754 A 82 PHE HZ A 85 ILE HG1x 1.0 . 3.49 2436 1755 A 83 VAL HA A 83 VAL HGy% 1.0 . 2.98 2437 1755 A 83 VAL HA A 83 VAL HGx% 1.0 . 2.98 2438 1756 A 83 VAL HA A 84 GLY HAx 1.0 . 4.53 2439 1756 A 83 VAL HA A 84 GLY HAy 1.0 . 4.53 2440 1757 A 84 GLY H A 83 VAL HGy% 1.0 . 3.83 2441 1757 A 84 GLY H A 83 VAL HGx% 1.0 . 3.83 2442 1758 A 83 VAL HGx% A 84 GLY HAx 1.0 . 5.28 2443 1758 A 84 GLY HAy A 83 VAL HGy% 1.0 . 5.28 2444 1758 A 84 GLY HAy A 83 VAL HGx% 1.0 . 5.28 2445 1758 A 83 VAL HGy% A 84 GLY HAx 1.0 . 5.28 2446 1759 A 85 ILE HB A 84 GLY HAx 1.0 . 4.69 2447 1759 A 85 ILE HB A 84 GLY HAy 1.0 . 4.69 2448 1760 A 85 ILE H A 85 ILE HG1y 1.0 . 3.73 2449 1760 A 85 ILE H A 85 ILE HG1x 1.0 . 3.73 2450 1761 A 85 ILE HA A 85 ILE HG1y 1.0 . 3.54 2451 1761 A 85 ILE HA A 85 ILE HG1x 1.0 . 3.54 2452 1762 A 85 ILE HB A 91 ARG HDy 1.0 . 4.42 2453 1762 A 85 ILE HB A 91 ARG HDx 1.0 . 4.42 2454 1763 A 85 ILE HG2% A 85 ILE HG1y 1.0 . 3.02 2455 1763 A 85 ILE HG2% A 85 ILE HG1x 1.0 . 3.02 2456 1764 A 85 ILE HG2% A 91 ARG HGy 1.0 . 3.26 2457 1764 A 85 ILE HG2% A 91 ARG HGx 1.0 . 3.26 2458 1765 A 85 ILE HG2% A 91 ARG HDy 1.0 . 3.86 2459 1765 A 85 ILE HG2% A 91 ARG HDx 1.0 . 3.86 2460 1766 A 86 LYS H A 85 ILE HG1y 1.0 . 5.31 2461 1766 A 86 LYS H A 85 ILE HG1x 1.0 . 5.31 2462 1767 A 85 ILE HD1% A 94 LEU HDx% 1.0 . 3.52 2463 1767 A 85 ILE HD1% A 94 LEU HDy% 1.0 . 3.52 2464 1768 A 86 LYS HA A 86 LYS HGy 1.0 . 3.44 2465 1768 A 86 LYS HA A 86 LYS HGx 1.0 . 3.44 2466 1769 A 86 LYS HDy A 86 LYS HGy 1.0 . 2.48 2467 1769 A 86 LYS HDx A 86 LYS HGy 1.0 . 2.48 2468 1769 A 86 LYS HGx A 86 LYS HDx 1.0 . 2.48 2469 1769 A 86 LYS HDy A 86 LYS HGx 1.0 . 2.48 2470 1770 A 86 LYS HEx A 86 LYS HGy 1.0 . 2.98 2471 1770 A 86 LYS HEy A 86 LYS HGy 1.0 . 2.98 2472 1770 A 86 LYS HGx A 86 LYS HEy 1.0 . 2.98 2473 1770 A 86 LYS HGx A 86 LYS HEx 1.0 . 2.98 2474 1771 A 87 LYS H A 86 LYS HGy 1.0 . 4.74 2475 1771 A 87 LYS H A 86 LYS HGx 1.0 . 4.74 2476 1772 A 87 LYS H A 87 LYS HGy 1.0 . 3.40 2477 1772 A 87 LYS H A 87 LYS HGx 1.0 . 3.40 2478 1773 A 87 LYS HA A 87 LYS HGy 1.0 . 3.58 2479 1773 A 87 LYS HA A 87 LYS HGx 1.0 . 3.58 2480 1774 A 87 LYS HBx A 87 LYS HDx 1.0 . 2.69 2481 1774 A 87 LYS HBy A 87 LYS HDx 1.0 . 2.69 2482 1774 A 87 LYS HDy A 87 LYS HBy 1.0 . 2.69 2483 1774 A 87 LYS HDy A 87 LYS HBx 1.0 . 2.69 2484 1775 A 90 GLU H A 87 LYS HBy 1.0 . 3.67 2485 1775 A 90 GLU H A 87 LYS HBx 1.0 . 3.67 2486 1776 A 87 LYS HBx A 90 GLU HGx 1.0 . 3.99 2487 1776 A 87 LYS HBy A 90 GLU HGx 1.0 . 3.99 2488 1776 A 90 GLU HGy A 87 LYS HBy 1.0 . 3.99 2489 1776 A 90 GLU HGy A 87 LYS HBx 1.0 . 3.99 2490 1777 A 87 LYS HEy A 87 LYS HGy 1.0 . 3.41 2491 1777 A 87 LYS HEx A 87 LYS HGy 1.0 . 3.41 2492 1777 A 87 LYS HGx A 87 LYS HEx 1.0 . 3.41 2493 1777 A 87 LYS HEy A 87 LYS HGx 1.0 . 3.41 2494 1778 A 90 GLU H A 87 LYS HGy 1.0 . 5.24 2495 1778 A 90 GLU H A 87 LYS HGx 1.0 . 5.24 2496 1779 A 88 LYS HA A 91 ARG HBy 1.0 . 4.50 2497 1779 A 88 LYS HA A 91 ARG HBx 1.0 . 4.50 2498 1780 A 88 LYS HBx A 88 LYS HEx 1.0 . 3.92 2499 1780 A 88 LYS HBy A 88 LYS HEx 1.0 . 3.92 2500 1780 A 88 LYS HEy A 88 LYS HBy 1.0 . 3.92 2501 1780 A 88 LYS HBx A 88 LYS HEy 1.0 . 3.92 2502 1781 A 89 GLU H A 88 LYS HBy 1.0 . 3.38 2503 1781 A 89 GLU H A 88 LYS HBx 1.0 . 3.38 2504 1782 A 88 LYS HEx A 88 LYS HGy 1.0 . 3.05 2505 1782 A 88 LYS HEy A 88 LYS HGy 1.0 . 3.05 2506 1782 A 88 LYS HGx A 88 LYS HEx 1.0 . 3.05 2507 1782 A 88 LYS HEy A 88 LYS HGx 1.0 . 3.05 2508 1783 A 89 GLU H A 89 GLU HGx 1.0 . 3.64 2509 1783 A 89 GLU H A 89 GLU HGy 1.0 . 3.64 2510 1784 A 89 GLU HA A 89 GLU HGx 1.0 . 3.43 2511 1784 A 89 GLU HA A 89 GLU HGy 1.0 . 3.43 2512 1785 A 90 GLU H A 89 GLU HGx 1.0 . 4.36 2513 1785 A 90 GLU H A 89 GLU HGy 1.0 . 4.36 2514 1786 A 90 GLU H A 90 GLU HBy 1.0 . 3.08 2515 1786 A 90 GLU H A 90 GLU HBx 1.0 . 3.08 2516 1787 A 91 ARG H A 91 ARG HBy 1.0 . 3.28 2517 1787 A 91 ARG H A 91 ARG HBx 1.0 . 3.28 2518 1788 A 91 ARG H A 91 ARG HGy 1.0 . 3.61 2519 1788 A 91 ARG H A 91 ARG HGx 1.0 . 3.61 2520 1789 A 91 ARG HA A 91 ARG HGy 1.0 . 3.57 2521 1789 A 91 ARG HA A 91 ARG HGx 1.0 . 3.57 2522 1790 A 91 ARG HA A 94 LEU HDx% 1.0 . 4.64 2523 1790 A 91 ARG HA A 94 LEU HDy% 1.0 . 4.64 2524 1791 A 91 ARG HBx A 91 ARG HDy 1.0 . 3.27 2525 1791 A 91 ARG HBy A 91 ARG HDy 1.0 . 3.27 2526 1791 A 91 ARG HDx A 91 ARG HBy 1.0 . 3.27 2527 1791 A 91 ARG HDx A 91 ARG HBx 1.0 . 3.27 2528 1792 A 92 ALA H A 91 ARG HBy 1.0 . 3.64 2529 1792 A 92 ALA H A 91 ARG HBx 1.0 . 3.64 2530 1793 A 94 LEU HA A 94 LEU HDx% 1.0 . 3.04 2531 1793 A 94 LEU HA A 94 LEU HDy% 1.0 . 3.04 2532 1794 A 95 ILE H A 94 LEU HDx% 1.0 . 4.29 2533 1794 A 95 ILE H A 94 LEU HDy% 1.0 . 4.29 2534 1795 A 97 TYR H A 94 LEU HDx% 1.0 . 4.98 2535 1795 A 97 TYR H A 94 LEU HDy% 1.0 . 4.98 2536 1796 A 97 TYR HBy A 94 LEU HDx% 1.0 . 4.30 2537 1796 A 97 TYR HBy A 94 LEU HDy% 1.0 . 4.30 2538 1797 A 97 TYR HEx A 94 LEU HDx% 1.0 . 4.26 2539 1797 A 97 TYR HEx A 94 LEU HDy% 1.0 . 4.26 2540 1798 A 97 TYR HDx A 94 LEU HDx% 1.0 . 3.62 2541 1798 A 97 TYR HDx A 94 LEU HDy% 1.0 . 3.62 2542 1799 A 98 LEU HG A 94 LEU HDx% 1.0 . 3.85 2543 1799 A 98 LEU HG A 94 LEU HDy% 1.0 . 3.85 2544 1800 A 98 LEU HDy% A 94 LEU HDx% 1.0 . 3.92 2545 1800 A 98 LEU HDy% A 94 LEU HDy% 1.0 . 3.92 2546 1801 A 96 ALA HA A 99 LYS HDx 1.0 . 4.54 2547 1801 A 96 ALA HA A 99 LYS HDy 1.0 . 4.54 2548 1802 A 99 LYS H A 99 LYS HGy 1.0 . 4.15 2549 1802 A 99 LYS H A 99 LYS HGx 1.0 . 4.15 2550 1803 A 99 LYS HA A 99 LYS HGy 1.0 . 3.37 2551 1803 A 99 LYS HA A 99 LYS HGx 1.0 . 3.37 2552 1804 A 99 LYS HA A 99 LYS HDx 1.0 . 3.27 2553 1804 A 99 LYS HA A 99 LYS HDy 1.0 . 3.27 2554 1805 A 99 LYS HBx A 99 LYS HDx 1.0 . 2.74 2555 1805 A 99 LYS HBx A 99 LYS HDy 1.0 . 2.74 2556 1806 A 100 LYS H A 99 LYS HDx 1.0 . 5.05 2557 1806 A 100 LYS H A 99 LYS HDy 1.0 . 5.05 2558 1807 A 100 LYS H A 100 LYS HGy 1.0 . 4.05 2559 1807 A 100 LYS H A 100 LYS HGx 1.0 . 4.05 2560 1808 A 100 LYS HA A 100 LYS HGy 1.0 . 3.25 2561 1808 A 100 LYS HA A 100 LYS HGx 1.0 . 3.25 2562 1809 A 100 LYS HBy A 100 LYS HDx 1.0 . 2.34 2563 1809 A 100 LYS HBx A 100 LYS HDx 1.0 . 2.34 2564 1809 A 100 LYS HDy A 100 LYS HBx 1.0 . 2.34 2565 1809 A 100 LYS HBy A 100 LYS HDy 1.0 . 2.34 2566 1810 A 100 LYS HEx A 100 LYS HGy 1.0 . 3.55 2567 1810 A 100 LYS HEy A 100 LYS HGy 1.0 . 3.55 2568 1810 A 100 LYS HGx A 100 LYS HEx 1.0 . 3.55 2569 1810 A 100 LYS HGx A 100 LYS HEy 1.0 . 3.55 2570 1811 A 101 ALA H A 100 LYS HGy 1.0 . 4.29 2571 1811 A 101 ALA H A 100 LYS HGx 1.0 . 4.29 2572 1812 A 101 ALA HA A 104 GLU HBx 1.0 . 4.38 2573 1812 A 101 ALA HA A 104 GLU HBy 1.0 . 4.38 2574 1813 A 102 THR HA A 103 ASN HBy 1.0 . 5.34 2575 1813 A 102 THR HA A 103 ASN HBx 1.0 . 5.34 2576 1814 A 103 ASN H A 103 ASN HBy 1.0 . 3.31 2577 1814 A 103 ASN H A 103 ASN HBx 1.0 . 3.31 2578 1815 A 104 GLU H A 103 ASN HBy 1.0 . 4.32 2579 1815 A 104 GLU H A 103 ASN HBx 1.0 . 4.32 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _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 VAL C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -94.6 -28.5 PHI 2 2 A 4 GLU C A 5 LYS N A 5 LYS CA A 5 LYS C 1.0 -97.2 -29.6 PHI 3 3 A 5 LYS C A 6 GLY N A 6 GLY CA A 6 GLY C 1.0 -100.5 -31.6 PHI 4 4 A 6 GLY C A 7 LYS N A 7 LYS CA A 7 LYS C 1.0 -96.7 -28.7 PHI 5 5 A 7 LYS C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -98.7 -27.3 PHI 6 6 A 8 LYS C A 9 ILE N A 9 ILE CA A 9 ILE C 1.0 -100.4 -32.1 PHI 7 7 A 9 ILE C A 10 PHE N A 10 PHE CA A 10 PHE C 1.0 -98.4 -29.2 PHI 8 8 A 10 PHE C A 11 ILE N A 11 ILE CA A 11 ILE C 1.0 -98.6 -28.7 PHI 9 9 A 18 HIS C A 19 THR N A 19 THR CA A 19 THR C 1.0 -184.7 -67.3 PHI 10 10 A 19 THR C A 20 VAL N A 20 VAL CA A 20 VAL C 1.0 -169.4 -57.7 PHI 11 11 A 21 GLU C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -97.6 -15.6 PHI 12 12 A 22 LYS C A 23 GLY N A 23 GLY CA A 23 GLY C 1.0 43.0 128.4 PHI 13 13 A 23 GLY C A 24 GLY N A 24 GLY CA A 24 GLY C 1.0 -131.5 -40.9 PHI 14 14 A 26 HIS C A 27 LYS N A 27 LYS CA A 27 LYS C 1.0 -134.4 -46.2 PHI 15 15 A 27 LYS C A 28 THR N A 28 THR CA A 28 THR C 1.0 -115.8 -32.1 PHI 16 16 A 30 PRO C A 31 ASN N A 31 ASN CA A 31 ASN C 1.0 -134.5 -31.1 PHI 17 17 A 34 GLY C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -104.4 -23.7 PHI 18 18 A 37 GLY C A 38 ARG N A 38 ARG CA A 38 ARG C 1.0 -160.9 -31.7 PHI 19 19 A 41 GLY C A 42 GLN N A 42 GLN CA A 42 GLN C 1.0 -132.2 -55.9 PHI 20 20 A 44 PRO C A 45 GLY N A 45 GLY CA A 45 GLY C 1.0 47.0 131.2 PHI 21 21 A 46 TYR C A 47 SER N A 47 SER CA A 47 SER C 1.0 -160.5 -52.5 PHI 22 22 A 49 THR C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -94.7 -23.2 PHI 23 23 A 50 ALA C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -100.1 -27.1 PHI 24 24 A 51 ALA C A 52 ASN N A 52 ASN CA A 52 ASN C 1.0 -98.4 -30.6 PHI 25 25 A 52 ASN C A 53 LYS N A 53 LYS CA A 53 LYS C 1.0 -95.2 -24.5 PHI 26 26 A 53 LYS C A 54 ASN N A 54 ASN CA A 54 ASN C 1.0 -120.4 -31.8 PHI 27 27 A 56 GLY C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -173.1 -90.3 PHI 28 28 A 58 ILE C A 59 TRP N A 59 TRP CA A 59 TRP C 1.0 -147.8 -46.2 PHI 29 29 A 60 GLY C A 61 GLU N A 61 GLU CA A 61 GLU C 1.0 -89.7 -18.0 PHI 30 30 A 61 GLU C A 62 ASP N A 62 ASP CA A 62 ASP C 1.0 -92.2 -24.3 PHI 31 31 A 62 ASP C A 63 THR N A 63 THR CA A 63 THR C 1.0 -100.8 -29.2 PHI 32 32 A 63 THR C A 64 LEU N A 64 LEU CA A 64 LEU C 1.0 -98.8 -26.9 PHI 33 33 A 64 LEU C A 65 MET N A 65 MET CA A 65 MET C 1.0 -100.4 -29.1 PHI 34 34 A 65 MET C A 66 GLU N A 66 GLU CA A 66 GLU C 1.0 -109.1 -33.1 PHI 35 35 A 66 GLU C A 67 TYR N A 67 TYR CA A 67 TYR C 1.0 -100.3 -27.2 PHI 36 36 A 67 TYR C A 68 LEU N A 68 LEU CA A 68 LEU C 1.0 -111.7 -27.7 PHI 37 37 A 68 LEU C A 69 GLU N A 69 GLU CA A 69 GLU C 1.0 -104.1 -26.1 PHI 38 38 A 71 PRO C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -106.9 -31.7 PHI 39 39 A 72 LYS C A 73 LYS N A 73 LYS CA A 73 LYS C 1.0 -105.6 -29.6 PHI 40 40 A 73 LYS C A 74 TYR N A 74 TYR CA A 74 TYR C 1.0 -119.3 -35.8 PHI 41 41 A 76 PRO C A 77 GLY N A 77 GLY CA A 77 GLY C 1.0 48.5 129.9 PHI 42 42 A 78 THR C A 79 LYS N A 79 LYS CA A 79 LYS C 1.0 -161.3 -58.8 PHI 43 43 A 79 LYS C A 80 MET N A 80 MET CA A 80 MET C 1.0 -121.3 -27.6 PHI 44 44 A 80 MET C A 81 ILE N A 81 ILE CA A 81 ILE C 1.0 -147.3 -57.4 PHI 45 45 A 82 PHE C A 83 VAL N A 83 VAL CA A 83 VAL C 1.0 -127.0 -37.9 PHI 46 46 A 84 GLY C A 85 ILE N A 85 ILE CA A 85 ILE C 1.0 -156.0 -39.5 PHI 47 47 A 87 LYS C A 88 LYS N A 88 LYS CA A 88 LYS C 1.0 -86.6 -17.6 PHI 48 48 A 88 LYS C A 89 GLU N A 89 GLU CA A 89 GLU C 1.0 -98.5 -24.3 PHI 49 49 A 89 GLU C A 90 GLU N A 90 GLU CA A 90 GLU C 1.0 -100.1 -26.2 PHI 50 50 A 90 GLU C A 91 ARG N A 91 ARG CA A 91 ARG C 1.0 -99.8 -22.3 PHI 51 51 A 91 ARG C A 92 ALA N A 92 ALA CA A 92 ALA C 1.0 -96.9 -28.7 PHI 52 52 A 92 ALA C A 93 ASP N A 93 ASP CA A 93 ASP C 1.0 -107.2 -28.7 PHI 53 53 A 93 ASP C A 94 LEU N A 94 LEU CA A 94 LEU C 1.0 -100.8 -29.9 PHI 54 54 A 94 LEU C A 95 ILE N A 95 ILE CA A 95 ILE C 1.0 -100.6 -29.4 PHI 55 55 A 96 ALA C A 97 TYR N A 97 TYR CA A 97 TYR C 1.0 -99.5 -26.1 PHI 56 56 A 97 TYR C A 98 LEU N A 98 LEU CA A 98 LEU C 1.0 -99.3 -31.9 PHI 57 57 A 98 LEU C A 99 LYS N A 99 LYS CA A 99 LYS C 1.0 -98.0 -30.9 PHI 58 58 A 100 LYS C A 101 ALA N A 101 ALA CA A 101 ALA C 1.0 -104.9 -27.9 PHI stop_ save_