data_nef_c18358_2lre 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 18357 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 5 CYS SG 1 42 CYS SG 1 13 CYS SG 1 45 CYS SG 1 24 CYS SG 1 31 CYS SG 1 47 CYS SG 1 55 CYS SG 1 51 CYS SG 1 61 CYS SG 2 5 CYS SG 2 42 CYS SG 2 13 CYS SG 2 45 CYS SG 2 24 CYS SG 2 31 CYS SG 2 47 CYS SG 2 55 CYS SG 2 51 CYS SG 2 61 CYS SG 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 ALA start . . 2 A 2 MET middle . . 3 A 3 GLY middle . false 4 A 4 LYS middle . . 5 A 5 CYS middle -HG . 6 A 6 SER middle . . 7 A 7 VAL middle . . 8 A 8 LEU middle . . 9 A 9 LYS middle . . 10 A 10 LYS middle . . 11 A 11 VAL middle . . 12 A 12 ALA middle . . 13 A 13 CYS middle -HG . 14 A 14 ALA middle . . 15 A 15 ALA middle . . 16 A 16 ALA middle . . 17 A 17 ILE middle . . 18 A 18 ALA middle . . 19 A 19 GLY middle . false 20 A 20 ALA middle . . 21 A 21 VAL middle . . 22 A 22 ALA middle . . 23 A 23 ALA middle . . 24 A 24 CYS middle -HG . 25 A 25 GLY middle . false 26 A 26 GLY middle . false 27 A 27 ILE middle . . 28 A 28 ASP middle . . 29 A 29 LEU middle . . 30 A 30 PRO middle . false 31 A 31 CYS middle -HG . 32 A 32 VAL middle . . 33 A 33 LEU middle . . 34 A 34 ALA middle . . 35 A 35 ALA middle . . 36 A 36 LEU middle . . 37 A 37 LYS middle . . 38 A 38 ALA middle . . 39 A 39 ALA middle . . 40 A 40 GLU middle . . 41 A 41 GLY middle . false 42 A 42 CYS middle -HG . 43 A 43 ALA middle . . 44 A 44 SER middle . . 45 A 45 CYS middle -HG . 46 A 46 PHE middle . . 47 A 47 CYS middle -HG . 48 A 48 GLU middle . . 49 A 49 ASP middle . . 50 A 50 HIS middle . . 51 A 51 CYS middle -HG . 52 A 52 HIS middle . . 53 A 53 GLY middle . false 54 A 54 VAL middle . . 55 A 55 CYS middle -HG . 56 A 56 LYS middle . . 57 A 57 ASP middle . . 58 A 58 LEU middle . . 59 A 59 HIS middle . . 60 A 60 LEU middle . . 61 A 61 CYS end -HG . 62 B 62 ALA start . . 63 B 63 MET middle . . 64 B 64 GLY middle . false 65 B 65 LYS middle . . 66 B 66 CYS middle -HG . 67 B 67 SER middle . . 68 B 68 VAL middle . . 69 B 69 LEU middle . . 70 B 70 LYS middle . . 71 B 71 LYS middle . . 72 B 72 VAL middle . . 73 B 73 ALA middle . . 74 B 74 CYS middle -HG . 75 B 75 ALA middle . . 76 B 76 ALA middle . . 77 B 77 ALA middle . . 78 B 78 ILE middle . . 79 B 79 ALA middle . . 80 B 80 GLY middle . false 81 B 81 ALA middle . . 82 B 82 VAL middle . . 83 B 83 ALA middle . . 84 B 84 ALA middle . . 85 B 85 CYS middle -HG . 86 B 86 GLY middle . false 87 B 87 GLY middle . false 88 B 88 ILE middle . . 89 B 89 ASP middle . . 90 B 90 LEU middle . . 91 B 91 PRO middle . false 92 B 92 CYS middle -HG . 93 B 93 VAL middle . . 94 B 94 LEU middle . . 95 B 95 ALA middle . . 96 B 96 ALA middle . . 97 B 97 LEU middle . . 98 B 98 LYS middle . . 99 B 99 ALA middle . . 100 B 100 ALA middle . . 101 B 101 GLU middle . . 102 B 102 GLY middle . false 103 B 103 CYS middle -HG . 104 B 104 ALA middle . . 105 B 105 SER middle . . 106 B 106 CYS middle -HG . 107 B 107 PHE middle . . 108 B 108 CYS middle -HG . 109 B 109 GLU middle . . 110 B 110 ASP middle . . 111 B 111 HIS middle . . 112 B 112 CYS middle -HG . 113 B 113 HIS middle . . 114 B 114 GLY middle . false 115 B 115 VAL middle . . 116 B 116 CYS middle -HG . 117 B 117 LYS middle . . 118 B 118 ASP middle . . 119 B 119 LEU middle . . 120 B 120 HIS middle . . 121 B 121 LEU middle . . 122 B 122 CYS end -HG . 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 8 LEU H H 1 7.735 . A 8 LEU HA H 1 4.121 . A 8 LEU HBx H 1 1.694 . A 8 LEU HG H 1 1.492 . A 8 LEU N N 15 117.542 . A 9 LYS H H 1 7.831 . A 9 LYS HA H 1 4.078 . A 9 LYS HBy H 1 2.161 . A 9 LYS HBx H 1 1.880 . A 9 LYS HGx H 1 1.697 . A 9 LYS N N 15 123.335 . A 10 LYS H H 1 8.627 . A 10 LYS HA H 1 3.657 . A 10 LYS HBx H 1 2.022 . A 10 LYS N N 15 121.522 . A 11 VAL H H 1 7.491 . A 11 VAL HA H 1 3.733 . A 11 VAL HB H 1 2.157 . A 11 VAL HG11 H 1 1.128 . A 11 VAL HG12 H 1 1.128 . A 11 VAL HG13 H 1 0.972 . A 11 VAL N N 15 117.576 . A 12 ALA H H 1 7.898 . A 12 ALA HA H 1 4.131 . A 12 ALA HB% H 1 1.586 . A 12 ALA N N 15 123.018 . A 13 CYS H H 1 8.394 . A 13 CYS HA H 1 4.587 . A 13 CYS HBy H 1 3.057 . A 13 CYS HBx H 1 3.009 . A 13 CYS N N 15 113.951 . A 14 ALA H H 1 7.549 . A 14 ALA HA H 1 4.027 . A 14 ALA HB% H 1 1.576 . A 14 ALA N N 15 124.346 . A 15 ALA HA H 1 4.203 . A 16 ALA H H 1 8.570 . A 16 ALA HA H 1 4.075 . A 16 ALA HB% H 1 1.407 . A 16 ALA N N 15 124.554 . A 17 ILE H H 1 8.475 . A 17 ILE HA H 1 3.416 . A 17 ILE HB H 1 1.869 . A 17 ILE HD1% H 1 0.848 . A 17 ILE HG12 H 1 1.071 . A 17 ILE HG21 H 1 0.948 . A 17 ILE HG22 H 1 0.948 . A 17 ILE HG23 H 1 0.948 . A 17 ILE N N 15 119.462 . A 18 ALA H H 1 8.288 . A 18 ALA HA H 1 4.069 . A 18 ALA HB% H 1 1.504 . A 18 ALA N N 15 121.295 . A 19 GLY H H 1 8.399 . A 19 GLY HAx H 1 3.883 . A 19 GLY N N 15 105.669 . A 20 ALA H H 1 7.972 . A 20 ALA HA H 1 4.081 . A 20 ALA HB% H 1 1.404 . A 20 ALA N N 15 127.175 . A 21 VAL H H 1 8.435 . A 21 VAL HA H 1 3.365 . A 21 VAL HB H 1 1.978 . A 21 VAL HG11 H 1 0.944 . A 21 VAL HG12 H 1 0.944 . A 21 VAL HG13 H 1 0.716 . A 21 VAL N N 15 118.978 . A 22 ALA H H 1 7.835 . A 22 ALA HA H 1 4.074 . A 22 ALA HB% H 1 1.456 . A 22 ALA N N 15 121.005 . A 23 ALA H H 1 8.062 . A 23 ALA HA H 1 4.063 . A 23 ALA HB% H 1 1.498 . A 23 ALA N N 15 121.200 . A 24 CYS H H 1 8.045 . A 24 CYS HA H 1 4.488 . A 24 CYS HBy H 1 3.310 . A 24 CYS HBx H 1 2.970 . A 24 CYS N N 15 114.529 . A 25 GLY H H 1 7.916 . A 25 GLY HAy H 1 4.075 . A 25 GLY HAx H 1 3.831 . A 25 GLY N N 15 109.695 . A 26 GLY H H 1 8.056 . A 26 GLY HAy H 1 4.337 . A 26 GLY HAx H 1 3.604 . A 26 GLY N N 15 107.481 . A 27 ILE H H 1 8.342 . A 27 ILE HA H 1 3.745 . A 27 ILE HB H 1 2.031 . A 27 ILE HD1% H 1 0.678 . A 27 ILE HG12 H 1 1.508 . A 27 ILE HG13 H 1 1.265 . A 27 ILE N N 15 117.952 . A 28 ASP H H 1 7.060 . A 28 ASP HBx H 1 2.572 . A 28 ASP N N 15 128.285 . A 29 LEU H H 1 8.907 . A 29 LEU HA H 1 4.002 . A 29 LEU HBx H 1 2.061 . A 29 LEU HD11 H 1 0.965 . A 29 LEU HDx% H 1 0.965 . A 29 LEU HG H 1 1.636 . A 29 LEU N N 15 124.546 . A 31 CYS H H 1 7.340 . A 31 CYS HA H 1 4.167 . A 31 CYS HBx H 1 3.094 . A 31 CYS N N 15 117.630 . A 32 VAL H H 1 8.718 . A 32 VAL HA H 1 3.178 . A 32 VAL HB H 1 1.499 . A 32 VAL HG11 H 1 0.698 . A 32 VAL HG12 H 1 0.698 . A 32 VAL HG13 H 1 -0.423 . A 32 VAL HG21 H 1 -0.367 . A 32 VAL HG22 H 1 -0.367 . A 32 VAL HG23 H 1 -0.367 . A 32 VAL N N 15 124.340 . A 33 LEU H H 1 8.512 . A 33 LEU HA H 1 3.692 . A 33 LEU HBx H 1 1.732 . A 33 LEU HD11 H 1 0.942 . A 33 LEU HD12 H 1 0.790 . A 33 LEU HD13 H 1 0.942 . A 33 LEU HG H 1 1.287 . A 33 LEU N N 15 117.743 . A 34 ALA H H 1 7.508 . A 34 ALA HA H 1 4.067 . A 34 ALA HB% H 1 1.447 . A 34 ALA N N 15 120.707 . A 35 ALA H H 1 7.765 . A 35 ALA HA H 1 4.174 . A 35 ALA HB% H 1 1.511 . A 35 ALA N N 15 121.539 . A 36 LEU H H 1 8.322 . A 36 LEU HA H 1 4.207 . A 36 LEU HBx H 1 1.657 . A 36 LEU HD11 H 1 0.564 . A 36 LEU HD12 H 1 0.430 . A 36 LEU HD13 H 1 0.564 . A 36 LEU N N 15 116.961 . A 37 LYS H H 1 7.335 . A 37 LYS HA H 1 3.988 . A 37 LYS HBy H 1 1.924 . A 37 LYS HBx H 1 1.818 . A 37 LYS HGy H 1 1.611 . A 37 LYS HGx H 1 1.500 . A 37 LYS N N 15 121.909 . A 42 CYS HA H 1 4.790 . A 42 CYS HBy H 1 3.047 . A 42 CYS HBx H 1 2.973 . A 43 ALA HA H 1 3.985 . A 44 SER HBx H 1 3.869 . A 45 CYS H H 1 7.104 . A 45 CYS HA H 1 4.341 . A 45 CYS HBx H 1 3.133 . A 45 CYS N N 15 118.951 . A 46 PHE H H 1 7.984 . A 46 PHE HA H 1 4.599 . A 46 PHE HBx H 1 2.958 . A 46 PHE HDy H 1 6.646 . A 46 PHE HEy H 1 7.222 . A 46 PHE HZ H 1 6.978 . A 46 PHE N N 15 120.196 . A 47 CYS H H 1 8.773 . A 47 CYS HA H 1 4.319 . A 47 CYS HBy H 1 2.725 . A 47 CYS HBx H 1 2.590 . A 47 CYS N N 15 115.827 . A 48 GLU H H 1 7.775 . A 48 GLU HA H 1 3.929 . A 48 GLU HBx H 1 2.384 . A 48 GLU HBy H 1 2.580 . A 48 GLU HGx H 1 2.148 . A 48 GLU N N 15 117.841 . A 49 ASP H H 1 6.791 . A 49 ASP HA H 1 4.490 . A 49 ASP HBx H 1 2.312 . A 49 ASP N N 15 116.149 . A 50 HIS H H 1 7.016 . A 50 HIS HA H 1 4.483 . A 50 HIS HBy H 1 2.675 . A 50 HIS HBx H 1 2.234 . A 50 HIS HD1 H 1 12.833 . A 50 HIS N N 15 121.887 . A 51 CYS H H 1 8.059 . A 51 CYS HA H 1 4.490 . A 51 CYS HBx H 1 2.856 . A 51 CYS N N 15 118.443 . A 52 HIS H H 1 8.294 . A 52 HIS HA H 1 4.581 . A 52 HIS HBy H 1 3.496 . A 52 HIS HBx H 1 2.981 . A 52 HIS N N 15 123.835 . A 54 VAL HA H 1 4.013 . A 54 VAL HG11 H 1 1.077 . A 54 VAL HGx% H 1 1.077 . A 55 CYS H H 1 7.314 . A 55 CYS HA H 1 4.229 . A 55 CYS HBy H 1 3.514 . A 55 CYS HBx H 1 3.000 . A 55 CYS N N 15 116.926 . A 56 LYS H H 1 6.427 . A 56 LYS HA H 1 4.115 . A 56 LYS HBx H 1 1.775 . A 56 LYS HGx H 1 1.346 . A 56 LYS N N 15 117.865 . A 57 ASP H H 1 8.415 . A 57 ASP HA H 1 4.106 . A 57 ASP HBx H 1 2.520 . A 57 ASP HBy H 1 2.533 . A 57 ASP N N 15 122.411 . A 58 LEU H H 1 7.593 . A 58 LEU HA H 1 4.212 . A 58 LEU HBx H 1 1.732 . A 58 LEU HD11 H 1 0.790 . A 58 LEU HDx% H 1 0.790 . A 58 LEU HG H 1 1.583 . A 58 LEU N N 15 115.608 . A 59 HIS H H 1 7.866 . A 59 HIS HA H 1 4.316 . A 59 HIS HBx H 1 3.269 . A 59 HIS N N 15 113.919 . A 60 LEU H H 1 7.762 . A 60 LEU HA H 1 4.291 . A 60 LEU HBy H 1 2.093 . A 60 LEU HBx H 1 1.560 . A 60 LEU HD11 H 1 0.974 . A 60 LEU HD12 H 1 0.775 . A 60 LEU HD13 H 1 0.974 . A 60 LEU HG H 1 1.243 . A 60 LEU N N 15 116.798 . A 61 CYS H H 1 7.627 . A 61 CYS HA H 1 4.309 . A 61 CYS HBy H 1 3.096 . A 61 CYS HBx H 1 3.003 . A 61 CYS N N 15 119.042 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 B 115 VAL HG11 A 30 PRO HDx 1.0 0.0 5.0 2 1 A 30 PRO HDy B 115 VAL HG11 1.0 0.0 5.0 3 2 B 115 VAL HG11 A 30 PRO HA 1.0 0.0 5.0 4 3 B 91 PRO HDy A 54 VAL HGx% 1.0 0.0 5.0 5 4 A 54 VAL HGx% B 91 PRO HA 1.0 0.0 5.0 6 5 B 85 CYS HA A 52 HIS HD2 1.0 0.0 5.0 7 5 A 52 HIS HD1 B 85 CYS HA 1.0 0.0 5.0 8 6 B 85 CYS HBx A 52 HIS HD2 1.0 0.0 5.0 9 6 A 52 HIS HD1 B 85 CYS HBx 1.0 0.0 5.0 10 7 B 85 CYS HBy A 52 HIS HD2 1.0 0.0 5.0 11 7 A 52 HIS HD1 B 85 CYS HBy 1.0 0.0 5.0 12 8 A 24 CYS HA B 113 HIS HD2 1.0 0.0 5.0 13 8 B 113 HIS HD1 A 24 CYS HA 1.0 0.0 5.0 14 9 A 24 CYS HBy B 113 HIS HD2 1.0 0.0 5.0 15 9 B 113 HIS HD1 A 24 CYS HBy 1.0 0.0 5.0 16 10 A 24 CYS HBx B 113 HIS HD2 1.0 0.0 5.0 17 10 B 113 HIS HD1 A 24 CYS HBx 1.0 0.0 5.0 18 11 B 69 LEU H B 69 LEU HA 1.0 0.0 3.4 19 12 B 69 LEU H B 69 LEU HBx 1.0 0.0 3.0 20 12 B 69 LEU H B 69 LEU HBy 1.0 0.0 3.0 21 13 B 69 LEU H B 69 LEU HG 1.0 0.0 5.0 22 14 B 69 LEU HG B 70 LYS H 1.0 0.0 5.0 23 15 B 70 LYS H B 70 LYS HA 1.0 0.0 3.4 24 16 B 70 LYS H B 70 LYS HBx 1.0 0.0 3.4 25 17 B 70 LYS H B 70 LYS HBy 1.0 0.0 3.4 26 18 B 70 LYS H B 70 LYS HGx 1.0 0.0 3.5 27 18 B 70 LYS H B 70 LYS HGy 1.0 0.0 3.5 28 19 B 69 LEU HG B 71 LYS H 1.0 0.0 5.0 29 20 B 70 LYS HA B 71 LYS H 1.0 0.0 5.0 30 21 B 70 LYS HBy B 71 LYS H 1.0 0.0 5.0 31 22 B 70 LYS H B 71 LYS H 1.0 0.0 2.8 32 23 B 70 LYS H B 71 LYS H 1.0 0.0 2.8 33 24 B 71 LYS H B 71 LYS HA 1.0 0.0 3.4 34 25 B 71 LYS H B 71 LYS HBx 1.0 0.0 2.8 35 25 B 71 LYS H B 71 LYS HBy 1.0 0.0 2.8 36 26 B 69 LEU HA B 72 VAL H 1.0 0.0 5.0 37 27 B 72 VAL H B 71 LYS HBx 1.0 0.0 5.0 38 27 B 71 LYS HBy B 72 VAL H 1.0 0.0 5.0 39 28 B 71 LYS H B 72 VAL H 1.0 0.0 3.4 40 29 B 71 LYS H B 72 VAL H 1.0 0.0 5.0 41 30 B 72 VAL H B 72 VAL HA 1.0 0.0 5.0 42 31 B 72 VAL H B 72 VAL HB 1.0 0.0 3.4 43 32 B 72 VAL H B 72 VAL HG11 1.0 0.0 5.0 44 33 B 72 VAL H B 72 VAL HG11 1.0 0.0 5.0 45 34 B 70 LYS HA B 73 ALA H 1.0 0.0 5.0 46 35 B 72 VAL HA B 73 ALA H 1.0 0.0 5.0 47 36 B 72 VAL HB B 73 ALA H 1.0 0.0 4.2 48 37 B 72 VAL HG11 B 73 ALA H 1.0 0.0 5.0 49 38 B 72 VAL HG11 B 73 ALA H 1.0 0.0 5.0 50 39 B 72 VAL H B 73 ALA H 1.0 0.0 2.8 51 40 B 72 VAL H B 73 ALA H 1.0 0.0 5.0 52 41 B 73 ALA H B 73 ALA HA 1.0 0.0 3.4 53 42 B 73 ALA H B 73 ALA HB1 1.0 0.0 2.8 54 43 B 71 LYS HA B 74 CYS H 1.0 0.0 5.0 55 44 B 73 ALA HA B 74 CYS H 1.0 0.0 5.0 56 45 B 73 ALA H B 74 CYS H 1.0 0.0 2.8 57 46 B 73 ALA H B 74 CYS H 1.0 0.0 3.4 58 47 B 74 CYS H B 74 CYS HBx 1.0 0.0 3.4 59 47 B 74 CYS H B 74 CYS HBy 1.0 0.0 3.4 60 48 B 73 ALA HA B 75 ALA H 1.0 0.0 5.0 61 49 B 73 ALA HA B 75 ALA H 1.0 0.0 5.0 62 50 B 74 CYS H B 75 ALA HB1 1.0 0.0 5.0 63 51 B 75 ALA H B 74 CYS HA 1.0 0.0 5.0 64 52 B 75 ALA H B 74 CYS HBx 1.0 0.0 5.0 65 52 B 74 CYS HBy B 75 ALA H 1.0 0.0 5.0 66 53 B 74 CYS H B 75 ALA H 1.0 0.0 3.4 67 54 B 74 CYS H B 75 ALA H 1.0 0.0 3.4 68 55 B 75 ALA H B 75 ALA HA 1.0 0.0 2.8 69 56 B 75 ALA H B 75 ALA HB1 1.0 0.0 2.8 70 57 B 74 CYS HA B 77 ALA H 1.0 0.0 5.0 71 58 B 77 ALA H B 77 ALA HA 1.0 0.0 3.4 72 59 B 77 ALA H B 77 ALA HB1 1.0 0.0 3.4 73 60 B 77 ALA HB1 B 78 ILE H 1.0 0.0 5.0 74 61 B 78 ILE H B 78 ILE HA 1.0 0.0 3.4 75 62 B 78 ILE H B 78 ILE HB 1.0 0.0 3.4 76 63 B 78 ILE H B 78 ILE HD11 1.0 0.0 5.0 77 64 B 78 ILE H B 78 ILE HG1x 1.0 0.0 5.0 78 65 B 78 ILE H B 78 ILE HG21 1.0 0.0 5.0 79 66 B 79 ALA H B 76 ALA HA 1.0 0.0 5.0 80 67 B 78 ILE H B 79 ALA HA 1.0 0.0 5.0 81 68 B 78 ILE HA B 79 ALA H 1.0 0.0 5.0 82 69 B 78 ILE HB B 79 ALA H 1.0 0.0 3.4 83 70 B 78 ILE HG1x B 79 ALA H 1.0 0.0 5.0 84 71 B 78 ILE H B 79 ALA H 1.0 0.0 3.4 85 72 B 78 ILE H B 79 ALA H 1.0 0.0 3.4 86 73 B 79 ALA H B 79 ALA HA 1.0 0.0 2.8 87 74 B 79 ALA H B 79 ALA HB1 1.0 0.0 3.4 88 75 B 79 ALA HB1 B 80 GLY H 1.0 0.0 5.0 89 76 B 79 ALA H B 80 GLY H 1.0 0.0 3.4 90 77 B 80 GLY H B 80 GLY HAx 1.0 0.0 2.8 91 77 B 80 GLY H B 80 GLY HAy 1.0 0.0 2.8 92 78 B 78 ILE HA B 81 ALA H 1.0 0.0 5.0 93 79 B 80 GLY H B 81 ALA HA 1.0 0.0 5.0 94 80 B 81 ALA H B 80 GLY HAx 1.0 0.0 3.4 95 80 B 80 GLY HAy B 81 ALA H 1.0 0.0 3.4 96 81 B 80 GLY H B 81 ALA H 1.0 0.0 3.4 97 82 B 81 ALA H B 81 ALA HA 1.0 0.0 2.8 98 83 B 81 ALA H B 81 ALA HB1 1.0 0.0 3.4 99 84 B 82 VAL H B 80 GLY HAx 1.0 0.0 5.0 100 84 B 80 GLY HAy B 82 VAL H 1.0 0.0 5.0 101 85 B 81 ALA HA B 82 VAL H 1.0 0.0 3.4 102 86 B 81 ALA HB1 B 82 VAL H 1.0 0.0 5.0 103 87 B 81 ALA H B 82 VAL H 1.0 0.0 3.4 104 88 B 82 VAL H B 82 VAL HA 1.0 0.0 3.4 105 89 B 82 VAL H B 82 VAL HB 1.0 0.0 2.8 106 90 B 82 VAL H B 82 VAL HG11 1.0 0.0 3.4 107 91 B 82 VAL H B 82 VAL HG11 1.0 0.0 5.0 108 92 B 83 ALA H B 80 GLY HAx 1.0 0.0 5.0 109 92 B 80 GLY HAy B 83 ALA H 1.0 0.0 5.0 110 93 B 82 VAL HA B 83 ALA H 1.0 0.0 5.0 111 94 B 82 VAL HB B 83 ALA H 1.0 0.0 3.4 112 95 B 82 VAL HG11 B 83 ALA H 1.0 0.0 5.0 113 96 B 82 VAL HG11 B 83 ALA H 1.0 0.0 5.0 114 97 B 82 VAL H B 83 ALA H 1.0 0.0 2.8 115 98 B 82 VAL H B 83 ALA H 1.0 0.0 3.4 116 99 B 83 ALA H B 83 ALA HA 1.0 0.0 2.8 117 100 B 83 ALA H B 83 ALA HB1 1.0 0.0 2.8 118 101 B 81 ALA H B 84 ALA HB1 1.0 0.0 5.0 119 102 B 83 ALA H B 84 ALA H 1.0 0.0 2.8 120 103 B 84 ALA H B 84 ALA HA 1.0 0.0 2.8 121 104 B 84 ALA HB1 B 84 ALA H 1.0 0.0 2.8 122 105 B 84 ALA HB1 B 85 CYS H 1.0 0.0 5.0 123 106 B 85 CYS HA B 85 CYS H 1.0 0.0 5.0 124 107 B 85 CYS HBx B 85 CYS H 1.0 0.0 3.4 125 108 B 85 CYS HBy B 85 CYS H 1.0 0.0 5.0 126 109 B 85 CYS H B 86 GLY HAy 1.0 0.0 5.0 127 110 B 85 CYS HA B 86 GLY H 1.0 0.0 5.0 128 111 B 85 CYS HBx B 86 GLY H 1.0 0.0 5.0 129 112 B 85 CYS H B 86 GLY H 1.0 0.0 2.8 130 113 B 85 CYS H B 86 GLY H 1.0 0.0 2.8 131 114 B 86 GLY HAy B 86 GLY H 1.0 0.0 3.4 132 115 B 86 GLY H B 86 GLY HAx 1.0 0.0 2.8 133 116 B 82 VAL HG11 B 87 GLY H 1.0 0.0 5.0 134 117 B 85 CYS HBx B 87 GLY H 1.0 0.0 5.0 135 118 B 86 GLY HAy B 87 GLY H 1.0 0.0 5.0 136 119 B 86 GLY HAx B 87 GLY H 1.0 0.0 5.0 137 120 B 86 GLY H B 87 GLY H 1.0 0.0 3.4 138 121 B 87 GLY H B 87 GLY HAy 1.0 0.0 5.0 139 122 B 87 GLY H B 87 GLY HAx 1.0 0.0 3.4 140 123 B 87 GLY HAy B 88 ILE H 1.0 0.0 5.0 141 124 B 87 GLY HAx B 88 ILE H 1.0 0.0 5.0 142 125 B 88 ILE H B 88 ILE HB 1.0 0.0 5.0 143 126 B 88 ILE H B 88 ILE HG1x 1.0 0.0 5.0 144 127 B 88 ILE HG1y B 88 ILE H 1.0 0.0 5.0 145 128 B 89 ASP H B 88 ILE HA 1.0 0.0 2.8 146 129 B 89 ASP H B 89 ASP HBx 1.0 0.0 3.4 147 129 B 89 ASP H B 89 ASP HBy 1.0 0.0 3.4 148 130 B 88 ILE HA B 90 LEU H 1.0 0.0 5.5 149 131 B 90 LEU H B 90 LEU HA 1.0 0.0 5.0 150 132 B 90 LEU H B 90 LEU HBx 1.0 0.0 3.4 151 132 B 90 LEU H B 90 LEU HBy 1.0 0.0 3.4 152 133 B 90 LEU H B 90 LEU HD11 1.0 0.0 5.0 153 134 B 90 LEU H B 90 LEU HG 1.0 0.0 5.0 154 135 B 90 LEU H B 92 CYS HA 1.0 0.0 6.0 155 136 B 92 CYS HA B 92 CYS H 1.0 0.0 2.8 156 137 B 92 CYS H B 92 CYS HBx 1.0 0.0 2.8 157 137 B 92 CYS H B 92 CYS HBy 1.0 0.0 2.8 158 138 B 85 CYS H B 93 VAL HG11 1.0 0.0 5.0 159 139 B 89 ASP H B 93 VAL HG11 1.0 0.0 5.0 160 140 B 90 LEU HA B 93 VAL H 1.0 0.0 5.0 161 141 B 92 CYS HA B 93 VAL H 1.0 0.0 5.0 162 142 B 93 VAL H B 92 CYS HBx 1.0 0.0 3.4 163 142 B 92 CYS HBy B 93 VAL H 1.0 0.0 3.4 164 143 B 92 CYS H B 93 VAL H 1.0 0.0 3.4 165 144 B 92 CYS H B 93 VAL H 1.0 0.0 2.8 166 145 B 93 VAL H B 93 VAL HA 1.0 0.0 3.4 167 146 B 93 VAL H B 93 VAL HB 1.0 0.0 2.8 168 147 B 93 VAL HG11 B 93 VAL H 1.0 0.0 3.4 169 148 B 93 VAL HG11 B 93 VAL H 1.0 0.0 5.0 170 149 B 90 LEU HA B 94 LEU H 1.0 0.0 5.0 171 150 B 92 CYS HA B 94 LEU H 1.0 0.0 5.0 172 151 B 93 VAL HA B 94 LEU H 1.0 0.0 5.0 173 152 B 93 VAL HB B 94 LEU H 1.0 0.0 3.4 174 153 B 93 VAL HG11 B 94 LEU H 1.0 0.0 5.0 175 154 B 93 VAL H B 94 LEU H 1.0 0.0 3.4 176 155 B 93 VAL H B 94 LEU H 1.0 0.0 3.4 177 156 B 94 LEU H B 94 LEU HA 1.0 0.0 3.4 178 157 B 94 LEU H B 94 LEU HBx 1.0 0.0 2.8 179 157 B 94 LEU H B 94 LEU HBy 1.0 0.0 2.8 180 158 B 94 LEU H B 94 LEU HD11 1.0 0.0 5.0 181 159 B 94 LEU H B 94 LEU HD11 1.0 0.0 5.0 182 160 B 94 LEU H B 94 LEU HG 1.0 0.0 5.0 183 161 B 94 LEU HA B 95 ALA H 1.0 0.0 5.0 184 162 B 94 LEU HG B 95 ALA H 1.0 0.0 5.0 185 163 B 94 LEU H B 95 ALA H 1.0 0.0 3.4 186 164 B 94 LEU H B 95 ALA H 1.0 0.0 3.4 187 165 B 95 ALA H B 95 ALA HA 1.0 0.0 3.4 188 166 B 95 ALA H B 95 ALA HB1 1.0 0.0 3.4 189 167 B 93 VAL HA B 96 ALA H 1.0 0.0 5.0 190 168 B 94 LEU H B 96 ALA H 1.0 0.0 5.0 191 169 B 95 ALA HA B 96 ALA H 1.0 0.0 5.0 192 170 B 95 ALA H B 96 ALA H 1.0 0.0 3.4 193 171 B 96 ALA H B 96 ALA HA 1.0 0.0 3.4 194 172 B 96 ALA H B 96 ALA HB1 1.0 0.0 2.8 195 173 B 78 ILE H B 97 LEU HD11 1.0 0.0 5.0 196 174 B 96 ALA H B 97 LEU H 1.0 0.0 3.4 197 175 B 96 ALA H B 97 LEU H 1.0 0.0 2.8 198 176 B 97 LEU H B 97 LEU HA 1.0 0.0 3.4 199 177 B 97 LEU H B 97 LEU HBx 1.0 0.0 2.8 200 177 B 97 LEU H B 97 LEU HBy 1.0 0.0 2.8 201 178 B 97 LEU HD11 B 97 LEU H 1.0 0.0 5.0 202 179 B 97 LEU HD11 B 97 LEU H 1.0 0.0 5.0 203 180 B 97 LEU HA B 98 LYS H 1.0 0.0 5.0 204 181 B 97 LEU H B 98 LYS H 1.0 0.0 3.4 205 182 B 97 LEU H B 98 LYS H 1.0 0.0 5.0 206 183 B 98 LYS H B 98 LYS HA 1.0 0.0 3.4 207 184 B 98 LYS H B 98 LYS HBx 1.0 0.0 3.4 208 185 B 98 LYS H B 98 LYS HBy 1.0 0.0 5.0 209 186 B 98 LYS H B 98 LYS HGx 1.0 0.0 5.0 210 187 B 98 LYS H B 98 LYS HGy 1.0 0.0 5.0 211 188 B 106 CYS H B 103 CYS HA 1.0 0.0 5.0 212 189 B 106 CYS H B 105 SER HBx 1.0 0.0 5.0 213 189 B 106 CYS H B 105 SER HBy 1.0 0.0 5.0 214 190 B 106 CYS H B 106 CYS HA 1.0 0.0 5.0 215 191 B 106 CYS H B 106 CYS HBx 1.0 0.0 2.8 216 191 B 106 CYS H B 106 CYS HBy 1.0 0.0 2.8 217 192 B 78 ILE HG21 B 107 PHE H 1.0 0.0 5.0 218 193 B 97 LEU HD11 B 107 PHE H 1.0 0.0 5.0 219 194 B 107 PHE H B 104 ALA HA 1.0 0.0 5.0 220 195 B 106 CYS HA B 107 PHE H 1.0 0.0 5.0 221 196 B 107 PHE H B 106 CYS HBx 1.0 0.0 3.4 222 196 B 106 CYS HBy B 107 PHE H 1.0 0.0 3.4 223 197 B 106 CYS H B 107 PHE H 1.0 0.0 3.4 224 198 B 106 CYS H B 107 PHE H 1.0 0.0 3.4 225 199 B 107 PHE H B 107 PHE HA 1.0 0.0 5.0 226 200 B 107 PHE H B 107 PHE HBy 1.0 0.0 2.8 227 200 B 107 PHE H B 107 PHE HBx 1.0 0.0 2.8 228 201 B 90 LEU HD11 B 108 CYS H 1.0 0.0 5.0 229 202 B 108 CYS H B 107 PHE HBy 1.0 0.0 2.8 230 202 B 107 PHE HBx B 108 CYS H 1.0 0.0 2.8 231 203 B 107 PHE H B 108 CYS H 1.0 0.0 5.0 232 204 B 107 PHE H B 108 CYS H 1.0 0.0 5.0 233 205 B 108 CYS H B 108 CYS HA 1.0 0.0 5.0 234 206 B 108 CYS H B 108 CYS HBx 1.0 0.0 3.4 235 207 B 108 CYS H B 108 CYS HBy 1.0 0.0 5.0 236 208 B 106 CYS HA B 109 GLU H 1.0 0.0 5.0 237 209 B 108 CYS H B 109 GLU H 1.0 0.0 5.0 238 210 B 108 CYS H B 109 GLU H 1.0 0.0 3.4 239 211 B 109 GLU H B 109 GLU HA 1.0 0.0 3.4 240 212 B 109 GLU H B 109 GLU HBx 1.0 0.0 5.0 241 213 B 109 GLU H B 109 GLU HBy 1.0 0.0 5.0 242 214 B 109 GLU H B 109 GLU HGx 1.0 0.0 5.0 243 214 B 109 GLU H B 109 GLU HGy 1.0 0.0 5.0 244 215 B 109 GLU HA B 110 ASP H 1.0 0.0 5.0 245 216 B 110 ASP H B 109 GLU HGx 1.0 0.0 5.0 246 216 B 109 GLU HGy B 110 ASP H 1.0 0.0 5.0 247 217 B 109 GLU H B 110 ASP H 1.0 0.0 3.4 248 218 B 109 GLU H B 110 ASP H 1.0 0.0 3.4 249 219 B 110 ASP H B 110 ASP HA 1.0 0.0 5.0 250 220 B 110 ASP H B 110 ASP HBx 1.0 0.0 2.8 251 220 B 110 ASP H B 110 ASP HBy 1.0 0.0 2.8 252 221 B 111 HIS H B 109 GLU HGx 1.0 0.0 5.0 253 221 B 109 GLU HGy B 111 HIS H 1.0 0.0 5.0 254 222 B 110 ASP H B 111 HIS H 1.0 0.0 2.8 255 223 B 111 HIS H B 111 HIS HA 1.0 0.0 3.4 256 224 B 111 HIS H B 111 HIS HBx 1.0 0.0 5.0 257 225 B 111 HIS H B 111 HIS HBy 1.0 0.0 5.0 258 226 B 111 HIS H B 112 CYS H 1.0 0.0 5.0 259 227 B 111 HIS H B 112 CYS H 1.0 0.0 5.0 260 228 B 112 CYS H B 112 CYS HA 1.0 0.0 3.4 261 229 B 112 CYS H B 112 CYS HBx 1.0 0.0 3.4 262 229 B 112 CYS H B 112 CYS HBy 1.0 0.0 3.4 263 230 B 112 CYS H B 113 HIS HA 1.0 0.0 5.0 264 231 B 113 HIS HA B 113 HIS H 1.0 0.0 2.8 265 232 B 113 HIS H B 113 HIS HBx 1.0 0.0 3.8 266 233 B 113 HIS H B 113 HIS HBy 1.0 0.0 5.0 267 234 B 90 LEU HD11 B 116 CYS H 1.0 0.0 5.0 268 235 B 113 HIS H B 116 CYS H 1.0 0.0 5.0 269 236 B 113 HIS H B 116 CYS H 1.0 0.0 5.0 270 237 B 116 CYS H B 116 CYS HA 1.0 0.0 5.0 271 238 B 116 CYS H B 116 CYS HBx 1.0 0.0 3.4 272 239 B 116 CYS H B 116 CYS HBy 1.0 0.0 5.0 273 240 B 90 LEU HD11 B 117 LYS H 1.0 0.0 5.0 274 241 B 113 HIS H B 117 LYS H 1.0 0.0 5.0 275 242 B 116 CYS HBx B 117 LYS H 1.0 0.0 3.8 276 243 B 116 CYS HBy B 117 LYS H 1.0 0.0 5.0 277 244 B 116 CYS H B 117 LYS H 1.0 0.0 3.4 278 245 B 116 CYS H B 117 LYS H 1.0 0.0 3.4 279 246 B 117 LYS H B 117 LYS HA 1.0 0.0 5.0 280 247 B 117 LYS H B 117 LYS HBx 1.0 0.0 3.4 281 247 B 117 LYS H B 117 LYS HBy 1.0 0.0 3.4 282 248 B 117 LYS H B 117 LYS HGx 1.0 0.0 3.5 283 248 B 117 LYS H B 117 LYS HGy 1.0 0.0 3.5 284 249 B 118 ASP H B 115 VAL HA 1.0 0.0 5.0 285 250 B 118 ASP H B 117 LYS HBx 1.0 0.0 5.0 286 250 B 117 LYS HBy B 118 ASP H 1.0 0.0 5.0 287 251 B 118 ASP H B 117 LYS HGx 1.0 0.0 5.0 288 251 B 117 LYS HGy B 118 ASP H 1.0 0.0 5.0 289 252 B 117 LYS H B 118 ASP H 1.0 0.0 2.8 290 253 B 117 LYS H B 118 ASP H 1.0 0.0 2.8 291 254 B 118 ASP H B 118 ASP HA 1.0 0.0 5.0 292 255 B 118 ASP H B 118 ASP HBx 1.0 0.0 3.4 293 256 B 119 LEU H B 118 ASP HBy 1.0 0.0 5.0 294 257 B 118 ASP H B 119 LEU H 1.0 0.0 5.0 295 258 B 118 ASP H B 119 LEU H 1.0 0.0 5.0 296 259 B 119 LEU H B 119 LEU HA 1.0 0.0 3.4 297 260 B 119 LEU H B 119 LEU HBx 1.0 0.0 3.4 298 260 B 119 LEU H B 119 LEU HBy 1.0 0.0 3.4 299 261 B 119 LEU H B 119 LEU HD11 1.0 0.0 5.0 300 262 B 119 LEU H B 119 LEU HG 1.0 0.0 5.0 301 263 B 120 HIS H B 119 LEU HBx 1.0 0.0 5.0 302 263 B 119 LEU HBy B 120 HIS H 1.0 0.0 5.0 303 264 B 119 LEU H B 120 HIS H 1.0 0.0 5.0 304 265 B 119 LEU H B 120 HIS H 1.0 0.0 3.4 305 266 B 120 HIS H B 120 HIS HA 1.0 0.0 2.8 306 267 B 120 HIS H B 120 HIS HBx 1.0 0.0 5.0 307 267 B 120 HIS H B 120 HIS HBy 1.0 0.0 5.0 308 268 B 120 HIS H B 121 LEU HD11 1.0 0.0 5.0 309 269 B 121 LEU H B 121 LEU HA 1.0 0.0 2.8 310 270 B 121 LEU H B 121 LEU HBx 1.0 0.0 3.4 311 271 B 121 LEU H B 121 LEU HBy 1.0 0.0 5.0 312 272 B 121 LEU HD11 B 121 LEU H 1.0 0.0 5.0 313 273 B 121 LEU HD11 B 121 LEU H 1.0 0.0 5.0 314 274 B 121 LEU H B 121 LEU HG 1.0 0.0 5.0 315 275 B 121 LEU H B 122 CYS H 1.0 0.0 2.8 316 276 B 122 CYS H B 122 CYS HA 1.0 0.0 3.4 317 277 B 122 CYS H B 122 CYS HBx 1.0 0.0 5.0 318 278 B 122 CYS H B 122 CYS HBy 1.0 0.0 5.0 319 279 B 68 VAL HA B 71 LYS HBx 1.0 0.0 2.8 320 279 B 71 LYS HBy B 68 VAL HA 1.0 0.0 2.8 321 280 B 72 VAL HA B 75 ALA HB1 1.0 0.0 5.0 322 281 B 78 ILE HG21 B 74 CYS HBx 1.0 0.0 3.4 323 281 B 74 CYS HBy B 78 ILE HG21 1.0 0.0 3.4 324 282 B 75 ALA HA B 78 ILE HB 1.0 0.0 4.2 325 283 B 78 ILE HA B 81 ALA HB1 1.0 0.0 5.0 326 284 B 79 ALA HA B 82 VAL HB 1.0 0.0 3.4 327 285 B 83 ALA HB1 B 80 GLY HAx 1.0 0.0 5.0 328 285 B 80 GLY HAy B 83 ALA HB1 1.0 0.0 5.0 329 286 B 81 ALA HA B 84 ALA HB1 1.0 0.0 2.8 330 287 B 81 ALA HB1 B 93 VAL HA 1.0 0.0 5.0 331 288 B 81 ALA HB1 B 93 VAL HG11 1.0 0.0 5.0 332 289 B 82 VAL HG11 B 93 VAL HG11 1.0 0.0 5.0 333 290 B 90 LEU HD11 B 94 LEU HA 1.0 0.0 3.4 334 291 B 93 VAL HA B 96 ALA HB1 1.0 0.0 5.0 335 292 B 78 ILE HA B 97 LEU HD11 1.0 0.0 3.4 336 293 B 81 ALA HB1 B 97 LEU HD11 1.0 0.0 5.0 337 294 B 81 ALA HB1 B 97 LEU HD11 1.0 0.0 5.0 338 295 B 90 LEU HD11 B 97 LEU HD11 1.0 0.0 5.0 339 296 B 93 VAL HG11 B 97 LEU HBx 1.0 0.0 5.0 340 296 B 93 VAL HG11 B 97 LEU HBy 1.0 0.0 5.0 341 297 B 93 VAL HG11 B 97 LEU HD11 1.0 0.0 5.0 342 298 B 94 LEU HA B 97 LEU HD11 1.0 0.0 5.0 343 299 B 97 LEU HD11 B 98 LYS HA 1.0 0.0 5.5 344 300 B 97 LEU HD11 B 103 CYS HBx 1.0 0.0 5.0 345 301 B 97 LEU HD11 B 103 CYS HBy 1.0 0.0 5.0 346 302 B 78 ILE HG21 B 106 CYS HBx 1.0 0.0 5.0 347 302 B 78 ILE HG21 B 106 CYS HBy 1.0 0.0 5.0 348 303 B 78 ILE HD11 B 107 PHE HBy 1.0 0.0 5.0 349 303 B 78 ILE HD11 B 107 PHE HBx 1.0 0.0 5.0 350 304 B 78 ILE HG1x B 107 PHE HE% 1.0 0.0 2.8 351 305 B 78 ILE HG1x B 107 PHE HZ 1.0 0.0 5.0 352 306 B 88 ILE HD11 B 107 PHE HD% 1.0 0.0 5.0 353 307 B 88 ILE HD11 B 107 PHE HZ 1.0 0.0 5.0 354 308 B 90 LEU HD11 B 107 PHE HD% 1.0 0.0 5.0 355 309 B 90 LEU HD11 B 107 PHE HE% 1.0 0.0 3.4 356 310 B 90 LEU HA B 107 PHE HZ 1.0 0.0 3.4 357 311 B 90 LEU HD11 B 107 PHE HZ 1.0 0.0 3.4 358 312 B 93 VAL HG11 B 107 PHE HD% 1.0 0.0 5.0 359 313 B 107 PHE HE% B 93 VAL HG21 1.0 0.0 5.0 360 314 B 107 PHE HZ B 93 VAL HG21 1.0 0.0 5.0 361 315 B 97 LEU HD11 B 107 PHE HBx 1.0 0.0 5.0 362 316 B 107 PHE HZ B 111 HIS HD2 1.0 0.0 5.5 363 316 B 107 PHE HZ B 111 HIS HD1 1.0 0.0 5.5 364 317 B 109 GLU HBx B 111 HIS HD2 1.0 0.0 5.5 365 317 B 109 GLU HBx B 111 HIS HD1 1.0 0.0 5.5 366 318 B 115 VAL HG11 B 92 CYS HA 1.0 0.0 5.0 367 319 B 115 VAL HG11 B 94 LEU HD11 1.0 0.0 5.0 368 320 B 115 VAL HA B 118 ASP HBx 1.0 0.0 3.4 369 321 B 115 VAL HA B 118 ASP HBy 1.0 0.0 3.4 370 322 B 116 CYS HA B 121 LEU HD11 1.0 0.0 5.0 371 323 B 108 CYS HBy B 122 CYS HBx 1.0 0.0 5.0 372 324 B 108 CYS HBy B 122 CYS HBy 1.0 0.0 3.4 373 325 B 109 GLU HA B 122 CYS HBx 1.0 0.0 3.4 374 326 B 109 GLU HA B 122 CYS HBy 1.0 0.0 3.4 375 327 A 8 LEU H A 8 LEU HA 1.0 0.0 3.4 376 328 A 8 LEU H A 8 LEU HBx 1.0 0.0 3.2 377 328 A 8 LEU H A 8 LEU HBy 1.0 0.0 3.2 378 329 A 8 LEU H A 8 LEU HG 1.0 0.0 5.0 379 330 A 8 LEU HG A 9 LYS H 1.0 0.0 5.0 380 331 A 9 LYS H A 9 LYS HA 1.0 0.0 3.4 381 332 A 9 LYS H A 9 LYS HBy 1.0 0.0 3.4 382 333 A 9 LYS H A 9 LYS HBx 1.0 0.0 3.4 383 334 A 9 LYS H A 9 LYS HGx 1.0 0.0 3.5 384 334 A 9 LYS H A 9 LYS HGy 1.0 0.0 3.5 385 335 A 8 LEU HG A 10 LYS H 1.0 0.0 5.0 386 336 A 9 LYS HA A 10 LYS H 1.0 0.0 5.0 387 337 A 9 LYS HBx A 10 LYS H 1.0 0.0 5.0 388 338 A 9 LYS H A 10 LYS H 1.0 0.0 2.8 389 339 A 9 LYS H A 10 LYS H 1.0 0.0 2.8 390 340 A 10 LYS H A 10 LYS HA 1.0 0.0 3.4 391 341 A 10 LYS H A 10 LYS HBx 1.0 0.0 2.8 392 341 A 10 LYS H A 10 LYS HBy 1.0 0.0 2.8 393 342 A 8 LEU HA A 11 VAL H 1.0 0.0 5.0 394 343 A 11 VAL H A 10 LYS HBx 1.0 0.0 5.0 395 343 A 10 LYS HBy A 11 VAL H 1.0 0.0 5.0 396 344 A 10 LYS H A 11 VAL H 1.0 0.0 3.4 397 345 A 10 LYS H A 11 VAL H 1.0 0.0 5.0 398 346 A 11 VAL H A 11 VAL HA 1.0 0.0 5.0 399 347 A 11 VAL H A 11 VAL HB 1.0 0.0 3.4 400 348 A 11 VAL H A 11 VAL HG11 1.0 0.0 5.0 401 349 A 11 VAL H A 11 VAL HG11 1.0 0.0 5.0 402 350 A 9 LYS HA A 12 ALA H 1.0 0.0 5.0 403 351 A 11 VAL HA A 12 ALA H 1.0 0.0 5.0 404 352 A 11 VAL HB A 12 ALA H 1.0 0.0 4.2 405 353 A 11 VAL HG11 A 12 ALA H 1.0 0.0 5.0 406 354 A 11 VAL HG11 A 12 ALA H 1.0 0.0 5.0 407 355 A 11 VAL H A 12 ALA H 1.0 0.0 2.8 408 356 A 11 VAL H A 12 ALA H 1.0 0.0 5.0 409 357 A 12 ALA H A 12 ALA HA 1.0 0.0 3.4 410 358 A 12 ALA H A 12 ALA HB% 1.0 0.0 2.8 411 359 A 10 LYS HA A 13 CYS H 1.0 0.0 5.0 412 360 A 12 ALA HA A 13 CYS H 1.0 0.0 5.0 413 361 A 12 ALA H A 13 CYS H 1.0 0.0 2.8 414 362 A 12 ALA H A 13 CYS H 1.0 0.0 3.4 415 363 A 13 CYS H A 13 CYS HBy 1.0 0.0 3.4 416 363 A 13 CYS H A 13 CYS HBx 1.0 0.0 3.4 417 364 A 12 ALA HA A 14 ALA H 1.0 0.0 5.0 418 365 A 12 ALA HA A 14 ALA H 1.0 0.0 5.0 419 366 A 13 CYS H A 14 ALA HB% 1.0 0.0 5.0 420 367 A 14 ALA H A 13 CYS HA 1.0 0.0 5.0 421 368 A 14 ALA H A 13 CYS HBy 1.0 0.0 5.0 422 368 A 13 CYS HBx A 14 ALA H 1.0 0.0 5.0 423 369 A 13 CYS H A 14 ALA H 1.0 0.0 3.4 424 370 A 13 CYS H A 14 ALA H 1.0 0.0 3.4 425 371 A 14 ALA H A 14 ALA HA 1.0 0.0 2.8 426 372 A 14 ALA H A 14 ALA HB% 1.0 0.0 2.8 427 373 A 13 CYS HA A 16 ALA H 1.0 0.0 5.0 428 374 A 16 ALA H A 16 ALA HA 1.0 0.0 3.4 429 375 A 16 ALA H A 16 ALA HB% 1.0 0.0 3.4 430 376 A 16 ALA HB% A 17 ILE H 1.0 0.0 5.0 431 377 A 17 ILE H A 17 ILE HA 1.0 0.0 3.4 432 378 A 17 ILE H A 17 ILE HB 1.0 0.0 3.4 433 379 A 17 ILE H A 17 ILE HD1% 1.0 0.0 5.0 434 380 A 17 ILE H A 17 ILE HG12 1.0 0.0 5.0 435 381 A 17 ILE H A 17 ILE HG21 1.0 0.0 5.0 436 382 A 18 ALA H A 15 ALA HA 1.0 0.0 5.0 437 383 A 17 ILE H A 18 ALA HA 1.0 0.0 5.0 438 384 A 17 ILE HA A 18 ALA H 1.0 0.0 5.0 439 385 A 17 ILE HB A 18 ALA H 1.0 0.0 3.4 440 386 A 17 ILE HG12 A 18 ALA H 1.0 0.0 5.0 441 387 A 17 ILE H A 18 ALA H 1.0 0.0 3.4 442 388 A 17 ILE H A 18 ALA H 1.0 0.0 3.4 443 389 A 18 ALA H A 18 ALA HA 1.0 0.0 2.8 444 390 A 18 ALA H A 18 ALA HB% 1.0 0.0 3.4 445 391 A 18 ALA HB% A 19 GLY H 1.0 0.0 5.0 446 392 A 18 ALA H A 19 GLY H 1.0 0.0 3.4 447 393 A 19 GLY H A 19 GLY HAx 1.0 0.0 2.8 448 393 A 19 GLY H A 19 GLY HAy 1.0 0.0 2.8 449 394 A 17 ILE HA A 20 ALA H 1.0 0.0 5.0 450 395 A 19 GLY H A 20 ALA HA 1.0 0.0 5.0 451 396 A 20 ALA H A 19 GLY HAx 1.0 0.0 3.4 452 396 A 19 GLY HAy A 20 ALA H 1.0 0.0 3.4 453 397 A 19 GLY H A 20 ALA H 1.0 0.0 3.4 454 398 A 20 ALA H A 20 ALA HA 1.0 0.0 2.8 455 399 A 20 ALA H A 20 ALA HB% 1.0 0.0 3.4 456 400 A 21 VAL H A 19 GLY HAx 1.0 0.0 5.0 457 400 A 19 GLY HAy A 21 VAL H 1.0 0.0 5.0 458 401 A 20 ALA HA A 21 VAL H 1.0 0.0 3.4 459 402 A 20 ALA HB% A 21 VAL H 1.0 0.0 5.0 460 403 A 20 ALA H A 21 VAL H 1.0 0.0 3.4 461 404 A 21 VAL H A 21 VAL HA 1.0 0.0 3.4 462 405 A 21 VAL H A 21 VAL HB 1.0 0.0 2.8 463 406 A 21 VAL H A 21 VAL HG11 1.0 0.0 3.4 464 407 A 21 VAL H A 21 VAL HG11 1.0 0.0 5.0 465 408 A 22 ALA H A 19 GLY HAx 1.0 0.0 5.0 466 408 A 19 GLY HAy A 22 ALA H 1.0 0.0 5.0 467 409 A 21 VAL HA A 22 ALA H 1.0 0.0 5.0 468 410 A 21 VAL HB A 22 ALA H 1.0 0.0 3.4 469 411 A 21 VAL HG11 A 22 ALA H 1.0 0.0 5.0 470 412 A 21 VAL HG11 A 22 ALA H 1.0 0.0 5.0 471 413 A 21 VAL H A 22 ALA H 1.0 0.0 2.8 472 414 A 21 VAL H A 22 ALA H 1.0 0.0 3.4 473 415 A 22 ALA H A 22 ALA HA 1.0 0.0 2.8 474 416 A 22 ALA H A 22 ALA HB% 1.0 0.0 2.8 475 417 A 20 ALA H A 23 ALA HB% 1.0 0.0 5.0 476 418 A 22 ALA H A 23 ALA H 1.0 0.0 2.8 477 419 A 23 ALA H A 23 ALA HA 1.0 0.0 2.8 478 420 A 23 ALA HB% A 23 ALA H 1.0 0.0 2.8 479 421 A 23 ALA HB% A 24 CYS H 1.0 0.0 5.0 480 422 A 24 CYS HA A 24 CYS H 1.0 0.0 5.0 481 423 A 24 CYS HBy A 24 CYS H 1.0 0.0 3.4 482 424 A 24 CYS HBx A 24 CYS H 1.0 0.0 5.0 483 425 A 24 CYS H A 25 GLY HAx 1.0 0.0 5.0 484 426 A 24 CYS HA A 25 GLY H 1.0 0.0 5.0 485 427 A 24 CYS HBy A 25 GLY H 1.0 0.0 5.0 486 428 A 24 CYS H A 25 GLY H 1.0 0.0 2.8 487 429 A 24 CYS H A 25 GLY H 1.0 0.0 2.8 488 430 A 25 GLY HAx A 25 GLY H 1.0 0.0 3.4 489 431 A 25 GLY H A 25 GLY HAy 1.0 0.0 2.8 490 432 A 21 VAL HG11 A 26 GLY H 1.0 0.0 5.0 491 433 A 24 CYS HBy A 26 GLY H 1.0 0.0 5.0 492 434 A 25 GLY HAx A 26 GLY H 1.0 0.0 5.0 493 435 A 25 GLY HAy A 26 GLY H 1.0 0.0 5.0 494 436 A 25 GLY H A 26 GLY H 1.0 0.0 3.4 495 437 A 26 GLY H A 26 GLY HAx 1.0 0.0 5.0 496 438 A 26 GLY H A 26 GLY HAy 1.0 0.0 3.4 497 439 A 26 GLY HAx A 27 ILE H 1.0 0.0 5.0 498 440 A 26 GLY HAy A 27 ILE H 1.0 0.0 5.0 499 441 A 27 ILE H A 27 ILE HB 1.0 0.0 5.0 500 442 A 27 ILE H A 27 ILE HG12 1.0 0.0 5.0 501 443 A 27 ILE HG13 A 27 ILE H 1.0 0.0 5.0 502 444 A 28 ASP H A 27 ILE HA 1.0 0.0 2.8 503 445 A 28 ASP H A 28 ASP HBx 1.0 0.0 3.4 504 445 A 28 ASP H A 28 ASP HBy 1.0 0.0 3.4 505 446 A 27 ILE HA A 29 LEU H 1.0 0.0 5.5 506 447 A 29 LEU H A 29 LEU HA 1.0 0.0 5.0 507 448 A 29 LEU H A 29 LEU HBx 1.0 0.0 3.4 508 448 A 29 LEU H A 29 LEU HBy 1.0 0.0 3.4 509 449 A 29 LEU H A 29 LEU HDx% 1.0 0.0 5.0 510 450 A 29 LEU H A 29 LEU HG 1.0 0.0 5.0 511 451 A 29 LEU H A 31 CYS HA 1.0 0.0 6.0 512 452 A 31 CYS HA A 31 CYS H 1.0 0.0 2.8 513 453 A 31 CYS H A 31 CYS HBx 1.0 0.0 2.8 514 453 A 31 CYS H A 31 CYS HBy 1.0 0.0 2.8 515 454 A 24 CYS H A 32 VAL HG11 1.0 0.0 5.0 516 455 A 28 ASP H A 32 VAL HG11 1.0 0.0 5.0 517 456 A 29 LEU HA A 32 VAL H 1.0 0.0 5.0 518 457 A 31 CYS HA A 32 VAL H 1.0 0.0 5.0 519 458 A 32 VAL H A 31 CYS HBx 1.0 0.0 3.4 520 458 A 31 CYS HBy A 32 VAL H 1.0 0.0 3.4 521 459 A 31 CYS H A 32 VAL H 1.0 0.0 3.4 522 460 A 31 CYS H A 32 VAL H 1.0 0.0 2.8 523 461 A 32 VAL H A 32 VAL HA 1.0 0.0 3.4 524 462 A 32 VAL H A 32 VAL HB 1.0 0.0 2.8 525 463 A 32 VAL HG11 A 32 VAL H 1.0 0.0 3.4 526 464 A 32 VAL HG11 A 32 VAL H 1.0 0.0 5.0 527 465 A 29 LEU HA A 33 LEU H 1.0 0.0 5.0 528 466 A 31 CYS HA A 33 LEU H 1.0 0.0 5.0 529 467 A 32 VAL HA A 33 LEU H 1.0 0.0 5.0 530 468 A 32 VAL HB A 33 LEU H 1.0 0.0 3.4 531 469 A 32 VAL HG11 A 33 LEU H 1.0 0.0 5.0 532 470 A 32 VAL H A 33 LEU H 1.0 0.0 3.4 533 471 A 32 VAL H A 33 LEU H 1.0 0.0 3.4 534 472 A 33 LEU H A 33 LEU HA 1.0 0.0 3.4 535 473 A 33 LEU H A 33 LEU HBx 1.0 0.0 2.8 536 473 A 33 LEU H A 33 LEU HBy 1.0 0.0 2.8 537 474 A 33 LEU H A 33 LEU HD11 1.0 0.0 5.0 538 475 A 33 LEU H A 33 LEU HD11 1.0 0.0 5.0 539 476 A 33 LEU H A 33 LEU HG 1.0 0.0 5.0 540 477 A 33 LEU HA A 34 ALA H 1.0 0.0 5.0 541 478 A 33 LEU HG A 34 ALA H 1.0 0.0 5.0 542 479 A 33 LEU H A 34 ALA H 1.0 0.0 3.4 543 480 A 33 LEU H A 34 ALA H 1.0 0.0 3.4 544 481 A 34 ALA H A 34 ALA HA 1.0 0.0 3.4 545 482 A 34 ALA H A 34 ALA HB% 1.0 0.0 3.4 546 483 A 32 VAL HA A 35 ALA H 1.0 0.0 5.0 547 484 A 33 LEU H A 35 ALA H 1.0 0.0 5.0 548 485 A 34 ALA HA A 35 ALA H 1.0 0.0 5.0 549 486 A 34 ALA H A 35 ALA H 1.0 0.0 3.4 550 487 A 35 ALA H A 35 ALA HA 1.0 0.0 3.4 551 488 A 35 ALA H A 35 ALA HB% 1.0 0.0 2.8 552 489 A 17 ILE H A 36 LEU HD11 1.0 0.0 5.0 553 490 A 35 ALA H A 36 LEU H 1.0 0.0 3.4 554 491 A 35 ALA H A 36 LEU H 1.0 0.0 2.8 555 492 A 36 LEU H A 36 LEU HA 1.0 0.0 3.4 556 493 A 36 LEU H A 36 LEU HBx 1.0 0.0 2.8 557 493 A 36 LEU H A 36 LEU HBy 1.0 0.0 2.8 558 494 A 36 LEU HD11 A 36 LEU H 1.0 0.0 5.0 559 495 A 36 LEU HD11 A 36 LEU H 1.0 0.0 5.0 560 496 A 36 LEU HA A 37 LYS H 1.0 0.0 5.0 561 497 A 36 LEU H A 37 LYS H 1.0 0.0 3.4 562 498 A 36 LEU H A 37 LYS H 1.0 0.0 5.0 563 499 A 37 LYS H A 37 LYS HA 1.0 0.0 3.4 564 500 A 37 LYS H A 37 LYS HBy 1.0 0.0 3.4 565 501 A 37 LYS H A 37 LYS HBx 1.0 0.0 5.0 566 502 A 37 LYS H A 37 LYS HGy 1.0 0.0 5.0 567 503 A 37 LYS H A 37 LYS HGx 1.0 0.0 5.0 568 504 A 45 CYS H A 42 CYS HA 1.0 0.0 5.0 569 505 A 45 CYS H A 44 SER HBx 1.0 0.0 5.0 570 505 A 45 CYS H A 44 SER HBy 1.0 0.0 5.0 571 506 A 45 CYS H A 45 CYS HA 1.0 0.0 5.0 572 507 A 45 CYS H A 45 CYS HBx 1.0 0.0 2.8 573 507 A 45 CYS H A 45 CYS HBy 1.0 0.0 2.8 574 508 A 17 ILE HG21 A 46 PHE H 1.0 0.0 5.0 575 509 A 36 LEU HD11 A 46 PHE H 1.0 0.0 5.0 576 510 A 46 PHE H A 43 ALA HA 1.0 0.0 5.0 577 511 A 45 CYS HA A 46 PHE H 1.0 0.0 5.0 578 512 A 46 PHE H A 45 CYS HBx 1.0 0.0 3.4 579 512 A 45 CYS HBy A 46 PHE H 1.0 0.0 3.4 580 513 A 45 CYS H A 46 PHE H 1.0 0.0 3.4 581 514 A 45 CYS H A 46 PHE H 1.0 0.0 3.4 582 515 A 46 PHE H A 46 PHE HA 1.0 0.0 5.0 583 516 A 46 PHE H A 46 PHE HBy 1.0 0.0 2.8 584 516 A 46 PHE H A 46 PHE HBx 1.0 0.0 2.8 585 517 A 29 LEU HDx% A 47 CYS H 1.0 0.0 5.0 586 518 A 47 CYS H A 46 PHE HBy 1.0 0.0 2.8 587 518 A 46 PHE HBx A 47 CYS H 1.0 0.0 2.8 588 519 A 46 PHE H A 47 CYS H 1.0 0.0 5.0 589 520 A 46 PHE H A 47 CYS H 1.0 0.0 5.0 590 521 A 47 CYS H A 47 CYS HA 1.0 0.0 5.0 591 522 A 47 CYS H A 47 CYS HBy 1.0 0.0 3.4 592 523 A 47 CYS H A 47 CYS HBx 1.0 0.0 5.0 593 524 A 45 CYS HA A 48 GLU H 1.0 0.0 5.0 594 525 A 47 CYS H A 48 GLU H 1.0 0.0 5.0 595 526 A 47 CYS H A 48 GLU H 1.0 0.0 3.4 596 527 A 48 GLU H A 48 GLU HA 1.0 0.0 3.4 597 528 A 48 GLU H A 48 GLU HBx 1.0 0.0 5.0 598 529 A 48 GLU H A 48 GLU HBy 1.0 0.0 5.0 599 530 A 48 GLU H A 48 GLU HGx 1.0 0.0 5.0 600 530 A 48 GLU H A 48 GLU HGy 1.0 0.0 5.0 601 531 A 48 GLU HA A 49 ASP H 1.0 0.0 5.0 602 532 A 49 ASP H A 48 GLU HGx 1.0 0.0 5.0 603 532 A 48 GLU HGy A 49 ASP H 1.0 0.0 5.0 604 533 A 48 GLU H A 49 ASP H 1.0 0.0 3.4 605 534 A 48 GLU H A 49 ASP H 1.0 0.0 3.4 606 535 A 49 ASP H A 49 ASP HA 1.0 0.0 5.0 607 536 A 49 ASP H A 49 ASP HBx 1.0 0.0 2.8 608 536 A 49 ASP H A 49 ASP HBy 1.0 0.0 2.8 609 537 A 50 HIS H A 48 GLU HGx 1.0 0.0 5.0 610 537 A 48 GLU HGy A 50 HIS H 1.0 0.0 5.0 611 538 A 49 ASP H A 50 HIS H 1.0 0.0 2.8 612 539 A 50 HIS H A 50 HIS HA 1.0 0.0 3.4 613 540 A 50 HIS H A 50 HIS HBy 1.0 0.0 5.0 614 541 A 50 HIS H A 50 HIS HBx 1.0 0.0 5.0 615 542 A 50 HIS H A 51 CYS H 1.0 0.0 5.0 616 543 A 50 HIS H A 51 CYS H 1.0 0.0 5.0 617 544 A 51 CYS H A 51 CYS HA 1.0 0.0 3.4 618 545 A 51 CYS H A 51 CYS HBx 1.0 0.0 3.4 619 545 A 51 CYS H A 51 CYS HBy 1.0 0.0 3.4 620 546 A 51 CYS H A 52 HIS HA 1.0 0.0 5.0 621 547 A 52 HIS HA A 52 HIS H 1.0 0.0 2.8 622 548 A 52 HIS H A 52 HIS HBy 1.0 0.0 3.8 623 549 A 52 HIS H A 52 HIS HBx 1.0 0.0 5.0 624 550 A 29 LEU HDx% A 55 CYS H 1.0 0.0 5.0 625 551 A 52 HIS H A 55 CYS H 1.0 0.0 5.0 626 552 A 52 HIS H A 55 CYS H 1.0 0.0 5.0 627 553 A 55 CYS H A 55 CYS HA 1.0 0.0 5.0 628 554 A 55 CYS H A 55 CYS HBy 1.0 0.0 3.4 629 555 A 55 CYS H A 55 CYS HBx 1.0 0.0 5.0 630 556 A 29 LEU HDx% A 56 LYS H 1.0 0.0 5.0 631 557 A 52 HIS H A 56 LYS H 1.0 0.0 5.0 632 558 A 55 CYS HBy A 56 LYS H 1.0 0.0 3.8 633 559 A 55 CYS HBx A 56 LYS H 1.0 0.0 5.0 634 560 A 55 CYS H A 56 LYS H 1.0 0.0 3.4 635 561 A 55 CYS H A 56 LYS H 1.0 0.0 3.4 636 562 A 56 LYS H A 56 LYS HA 1.0 0.0 5.0 637 563 A 56 LYS H A 56 LYS HBx 1.0 0.0 3.4 638 563 A 56 LYS H A 56 LYS HBy 1.0 0.0 3.4 639 564 A 56 LYS H A 56 LYS HGx 1.0 0.0 3.5 640 564 A 56 LYS H A 56 LYS HGy 1.0 0.0 3.5 641 565 A 57 ASP H A 54 VAL HA 1.0 0.0 5.0 642 566 A 57 ASP H A 56 LYS HBx 1.0 0.0 5.0 643 566 A 56 LYS HBy A 57 ASP H 1.0 0.0 5.0 644 567 A 57 ASP H A 56 LYS HGx 1.0 0.0 5.0 645 567 A 56 LYS HGy A 57 ASP H 1.0 0.0 5.0 646 568 A 56 LYS H A 57 ASP H 1.0 0.0 2.8 647 569 A 56 LYS H A 57 ASP H 1.0 0.0 2.8 648 570 A 57 ASP H A 57 ASP HA 1.0 0.0 5.0 649 571 A 57 ASP H A 57 ASP HBx 1.0 0.0 3.4 650 572 A 58 LEU H A 57 ASP HBy 1.0 0.0 5.0 651 573 A 57 ASP H A 58 LEU H 1.0 0.0 5.0 652 574 A 57 ASP H A 58 LEU H 1.0 0.0 5.0 653 575 A 58 LEU H A 58 LEU HA 1.0 0.0 3.4 654 576 A 58 LEU H A 58 LEU HBx 1.0 0.0 3.4 655 576 A 58 LEU H A 58 LEU HBy 1.0 0.0 3.4 656 577 A 58 LEU H A 58 LEU HDx% 1.0 0.0 5.0 657 578 A 58 LEU H A 58 LEU HG 1.0 0.0 5.0 658 579 A 59 HIS H A 58 LEU HBx 1.0 0.0 5.0 659 580 A 58 LEU H A 59 HIS H 1.0 0.0 5.0 660 581 A 58 LEU H A 59 HIS H 1.0 0.0 3.4 661 582 A 59 HIS H A 59 HIS HA 1.0 0.0 2.8 662 583 A 59 HIS H A 59 HIS HBx 1.0 0.0 5.0 663 583 A 59 HIS H A 59 HIS HBy 1.0 0.0 5.0 664 584 A 59 HIS H A 60 LEU HD11 1.0 0.0 5.0 665 585 A 60 LEU H A 60 LEU HA 1.0 0.0 2.8 666 586 A 60 LEU H A 60 LEU HBy 1.0 0.0 3.4 667 587 A 60 LEU H A 60 LEU HBx 1.0 0.0 5.0 668 588 A 60 LEU HD11 A 60 LEU H 1.0 0.0 5.0 669 589 A 60 LEU HD11 A 60 LEU H 1.0 0.0 5.0 670 590 A 60 LEU H A 60 LEU HG 1.0 0.0 5.0 671 591 A 60 LEU H A 61 CYS H 1.0 0.0 2.8 672 592 A 61 CYS H A 61 CYS HA 1.0 0.0 3.4 673 593 A 61 CYS H A 61 CYS HBy 1.0 0.0 5.0 674 594 A 61 CYS H A 61 CYS HBx 1.0 0.0 5.0 675 595 A 7 VAL HA A 10 LYS HBx 1.0 0.0 2.8 676 595 A 10 LYS HBy A 7 VAL HA 1.0 0.0 2.8 677 596 A 11 VAL HA A 14 ALA HB% 1.0 0.0 5.0 678 597 A 17 ILE HG21 A 13 CYS HBy 1.0 0.0 3.4 679 597 A 13 CYS HBx A 17 ILE HG21 1.0 0.0 3.4 680 598 A 14 ALA HA A 17 ILE HB 1.0 0.0 4.2 681 599 A 17 ILE HA A 20 ALA HB% 1.0 0.0 5.0 682 600 A 18 ALA HA A 21 VAL HB 1.0 0.0 3.4 683 601 A 19 GLY HAy A 22 ALA HB% 1.0 0.0 5.0 684 602 A 20 ALA HA A 23 ALA HB% 1.0 0.0 2.8 685 603 A 20 ALA HB% A 32 VAL HA 1.0 0.0 5.0 686 604 A 20 ALA HB% A 32 VAL HG11 1.0 0.0 5.0 687 605 A 21 VAL HG11 A 32 VAL HG11 1.0 0.0 5.0 688 606 A 29 LEU HDx% A 33 LEU HA 1.0 0.0 3.4 689 607 A 32 VAL HA A 35 ALA HB% 1.0 0.0 5.0 690 608 A 17 ILE HA A 36 LEU HD11 1.0 0.0 3.4 691 609 A 20 ALA HB% A 36 LEU HD11 1.0 0.0 5.0 692 610 A 20 ALA HB% A 36 LEU HD11 1.0 0.0 5.0 693 611 A 29 LEU HDx% A 36 LEU HD11 1.0 0.0 5.0 694 612 A 32 VAL HG11 A 36 LEU HBx 1.0 0.0 5.0 695 612 A 32 VAL HG11 A 36 LEU HBy 1.0 0.0 5.0 696 613 A 32 VAL HG11 A 36 LEU HD11 1.0 0.0 5.0 697 614 A 33 LEU HA A 36 LEU HD11 1.0 0.0 5.0 698 615 A 36 LEU HD11 A 37 LYS HA 1.0 0.0 5.5 699 616 A 36 LEU HD11 A 42 CYS HBy 1.0 0.0 5.0 700 617 A 36 LEU HD11 A 42 CYS HBx 1.0 0.0 5.0 701 618 A 17 ILE HG21 A 45 CYS HBx 1.0 0.0 5.0 702 618 A 17 ILE HG21 A 45 CYS HBy 1.0 0.0 5.0 703 619 A 17 ILE HD1% A 46 PHE HBy 1.0 0.0 5.0 704 619 A 17 ILE HD1% A 46 PHE HBx 1.0 0.0 5.0 705 620 A 17 ILE HG12 A 46 PHE HE% 1.0 0.0 2.8 706 621 A 17 ILE HG12 A 46 PHE HZ 1.0 0.0 5.0 707 622 A 27 ILE HD1% A 46 PHE HD% 1.0 0.0 5.0 708 623 A 27 ILE HD1% A 46 PHE HZ 1.0 0.0 5.0 709 624 A 29 LEU HDx% A 46 PHE HD% 1.0 0.0 5.0 710 625 A 29 LEU HDx% A 46 PHE HE% 1.0 0.0 3.4 711 626 A 29 LEU HA A 46 PHE HZ 1.0 0.0 3.4 712 627 A 29 LEU HDx% A 46 PHE HZ 1.0 0.0 3.4 713 628 A 32 VAL HG11 A 46 PHE HD% 1.0 0.0 5.0 714 629 A 46 PHE HE% A 32 VAL HG21 1.0 0.0 5.0 715 630 A 46 PHE HZ A 32 VAL HG21 1.0 0.0 5.0 716 631 A 36 LEU HD11 A 46 PHE HBx 1.0 0.0 5.0 717 632 A 46 PHE HZ A 50 HIS HD2 1.0 0.0 5.5 718 632 A 46 PHE HZ A 50 HIS HD1 1.0 0.0 5.5 719 633 A 48 GLU HBx A 50 HIS HD2 1.0 0.0 5.5 720 633 A 48 GLU HBx A 50 HIS HD1 1.0 0.0 5.5 721 634 A 54 VAL HGx% A 31 CYS HA 1.0 0.0 5.0 722 635 A 54 VAL HGx% A 33 LEU HD11 1.0 0.0 5.0 723 636 A 54 VAL HA A 57 ASP HBx 1.0 0.0 3.4 724 637 A 54 VAL HA A 57 ASP HBy 1.0 0.0 3.4 725 638 A 55 CYS HA A 60 LEU HD11 1.0 0.0 5.0 726 639 A 47 CYS HBx A 61 CYS HBy 1.0 0.0 5.0 727 640 A 47 CYS HBx A 61 CYS HBx 1.0 0.0 3.4 728 641 A 48 GLU HA A 61 CYS HBy 1.0 0.0 3.4 729 642 A 48 GLU HA A 61 CYS HBx 1.0 0.0 3.4 stop_ save_