data_nef_c18707_2ly3 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 1 22 ALA start . . 2 1 23 ASN middle . . 3 1 24 VAL middle . . 4 1 25 ARG middle . . 5 1 26 LEU middle . . 6 1 27 GLN middle . . 7 1 28 VAL middle . . 8 1 29 GLU middle . . 9 1 30 GLY middle . false 10 1 31 LEU middle . . 11 1 32 SER middle . . 12 1 33 GLY middle . false 13 1 34 GLN middle . . 14 1 35 LEU middle . . 15 1 36 GLU middle . . 16 1 37 LYS middle . . 17 1 38 ASN middle . . 18 1 39 VAL middle . . 19 1 40 ARG middle . . 20 1 41 ALA middle . . 21 1 42 GLN middle . . 22 1 43 LEU middle . . 23 1 44 SER middle . . 24 1 45 THR middle . . 25 1 46 ILE middle . . 26 1 47 GLU middle . . 27 1 48 SER middle . . 28 1 49 ASP middle . . 29 1 50 GLU middle . . 30 1 51 VAL middle . . 31 1 52 THR middle . . 32 1 53 PRO middle . false 33 1 54 ASP middle . . 34 1 55 ARG middle . . 35 1 56 ARG middle . . 36 1 57 PHE middle . . 37 1 58 ARG middle . . 38 1 59 ALA middle . . 39 1 60 ARG middle . . 40 1 61 VAL middle . . 41 1 62 ASP middle . . 42 1 63 ASP middle . . 43 1 64 ALA middle . . 44 1 65 ILE middle . . 45 1 66 ARG middle . . 46 1 67 GLU middle . . 47 1 68 GLY middle . false 48 1 69 LEU middle . . 49 1 70 LYS middle . . 50 1 71 ALA middle . . 51 1 72 LEU middle . . 52 1 73 GLY middle . false 53 1 74 TYR middle . . 54 1 75 TYR middle . . 55 1 76 GLN middle . . 56 1 77 PRO middle . false 57 1 78 THR middle . . 58 1 79 ILE middle . . 59 1 80 GLU middle . . 60 1 81 PHE middle . . 61 1 82 ASP middle . . 62 1 83 LEU middle . . 63 1 84 ARG middle . . 64 1 85 PRO middle . false 65 1 86 PRO middle . false 66 1 87 PRO middle . false 67 1 88 LYS middle . . 68 1 89 LYS middle . . 69 1 90 GLY middle . false 70 1 91 ARG middle . . 71 1 92 GLN middle . . 72 1 93 VAL middle . . 73 1 94 LEU middle . . 74 1 95 ILE middle . . 75 1 96 ALA middle . . 76 1 97 LYS middle . . 77 1 98 VAL middle . . 78 1 99 THR middle . . 79 1 100 PRO middle . false 80 1 101 GLY middle . false 81 1 102 VAL middle . . 82 1 103 LEU middle . . 83 1 104 GLU middle . . 84 1 105 HIS middle . . 85 1 106 HIS middle . . 86 1 107 HIS middle . . 87 1 108 HIS middle . . 88 1 109 HIS middle . . 89 1 110 HIS end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty 1 23 ASN HA H 1 5.067 0.02 1 23 ASN HBx H 1 2.593 0.02 1 23 ASN HBy H 1 2.68 0.02 1 23 ASN CA C 13 52.614 0.2 1 23 ASN CB C 13 38.87 0.2 1 24 VAL H H 1 8.277 0.02 1 24 VAL HA H 1 4.899 0.02 1 24 VAL HB H 1 1.677 0.02 1 24 VAL HGx% H 1 0.478 0.02 1 24 VAL HGy% H 1 0.559 0.02 1 24 VAL CA C 13 60.235 0.2 1 24 VAL CB C 13 34.772 0.2 1 24 VAL CG1 C 13 21.544 0.2 1 24 VAL CG2 C 13 21.544 0.2 1 24 VAL N N 15 118.307 0.2 1 25 ARG H H 1 8.95 0.02 1 25 ARG HA H 1 4.52 0.02 1 25 ARG HBx H 1 1.384 0.02 1 25 ARG HBy H 1 1.522 0.02 1 25 ARG HDy H 1 3.079 0.02 1 25 ARG HDx H 1 2.848 0.02 1 25 ARG HGx H 1 1.411 0.02 1 25 ARG HGy H 1 1.411 0.02 1 25 ARG CA C 13 54.274 0.2 1 25 ARG CB C 13 32.88 0.2 1 25 ARG CD C 13 43.498 0.2 1 25 ARG CG C 13 26.982 0.2 1 25 ARG N N 15 124.399 0.2 1 26 LEU H H 1 8.709 0.02 1 26 LEU HA H 1 5.019 0.02 1 26 LEU HBx H 1 1.416 0.02 1 26 LEU HBy H 1 1.591 0.02 1 26 LEU HDx% H 1 0.892 0.02 1 26 LEU HDy% H 1 0.867 0.02 1 26 LEU CA C 13 53.691 0.2 1 26 LEU CB C 13 43.02 0.2 1 26 LEU CD1 C 13 25.126 0.2 1 26 LEU CD2 C 13 25.872 0.2 1 26 LEU N N 15 124.758 0.2 1 27 GLN H H 1 8.898 0.02 1 27 GLN HA H 1 4.572 0.02 1 27 GLN HBx H 1 1.68 0.02 1 27 GLN HBy H 1 1.792 0.02 1 27 GLN HGx H 1 2.068 0.02 1 27 GLN HGy H 1 2.068 0.02 1 27 GLN CA C 13 54.274 0.2 1 27 GLN CB C 13 31.457 0.2 1 27 GLN CG C 13 33.819 0.2 1 27 GLN N N 15 126.15 0.2 1 28 VAL H H 1 8.598 0.02 1 28 VAL HA H 1 4.757 0.02 1 28 VAL HB H 1 1.79 0.02 1 28 VAL HGx% H 1 0.706 0.02 1 28 VAL HGy% H 1 0.675 0.02 1 28 VAL CA C 13 61.077 0.2 1 28 VAL CB C 13 32.758 0.2 1 28 VAL CG1 C 13 20.844 0.2 1 28 VAL CG2 C 13 21.554 0.2 1 28 VAL N N 15 123.821 0.2 1 29 GLU H H 1 9.063 0.02 1 29 GLU HA H 1 4.675 0.02 1 29 GLU HBx H 1 1.517 0.02 1 29 GLU HBy H 1 1.899 0.02 1 29 GLU HGx H 1 2.022 0.02 1 29 GLU HGy H 1 2.022 0.02 1 29 GLU CA C 13 54.792 0.2 1 29 GLU CB C 13 33.113 0.2 1 29 GLU CG C 13 36.277 0.2 1 29 GLU N N 15 126.682 0.2 1 30 GLY H H 1 8.558 0.02 1 30 GLY HAx H 1 3.475 0.02 1 30 GLY HAy H 1 4.831 0.02 1 30 GLY CA C 13 44.49 0.2 1 30 GLY N N 15 106.575 0.2 1 31 LEU H H 1 7.922 0.02 1 31 LEU HA H 1 4.65 0.02 1 31 LEU HBx H 1 0.878 0.02 1 31 LEU HBy H 1 1.561 0.02 1 31 LEU HDx% H 1 0.539 0.02 1 31 LEU HDy% H 1 0.503 0.02 1 31 LEU HG H 1 1.222 0.02 1 31 LEU CA C 13 52.459 0.2 1 31 LEU CB C 13 44.36 0.2 1 31 LEU CD1 C 13 27.093 0.2 1 31 LEU CD2 C 13 22.918 0.2 1 31 LEU CG C 13 26.434 0.2 1 31 LEU N N 15 115.112 0.2 1 32 SER H H 1 7.972 0.02 1 32 SER HA H 1 4.656 0.02 1 32 SER HBy H 1 3.798 0.02 1 32 SER HBx H 1 3.739 0.02 1 32 SER CA C 13 56.95 0.2 1 32 SER CB C 13 65.743 0.2 1 32 SER N N 15 111.976 0.2 1 33 GLY H H 1 8.85 0.02 1 33 GLY HAy H 1 3.889 0.02 1 33 GLY HAx H 1 3.798 0.02 1 33 GLY CA C 13 46.663 0.2 1 33 GLY N N 15 107.294 0.2 1 34 GLN HA H 1 3.815 0.02 1 34 GLN HBx H 1 1.967 0.02 1 34 GLN HBy H 1 2.066 0.02 1 34 GLN HGx H 1 2.369 0.02 1 34 GLN HGy H 1 2.369 0.02 1 34 GLN CA C 13 57.917 0.2 1 34 GLN CB C 13 28.544 0.2 1 34 GLN CG C 13 33.686 0.2 1 35 LEU H H 1 7.712 0.02 1 35 LEU HA H 1 3.751 0.02 1 35 LEU HBx H 1 1.389 0.02 1 35 LEU HBy H 1 1.807 0.02 1 35 LEU HDx% H 1 0.452 0.02 1 35 LEU HDy% H 1 0.851 0.02 1 35 LEU HG H 1 1.455 0.02 1 35 LEU CA C 13 59.717 0.2 1 35 LEU CB C 13 42.027 0.2 1 35 LEU CD1 C 13 25.538 0.2 1 35 LEU CD2 C 13 24.473 0.2 1 35 LEU CG C 13 29.66 0.2 1 35 LEU N N 15 117.563 0.2 1 36 GLU H H 1 6.729 0.02 1 36 GLU HA H 1 3.388 0.02 1 36 GLU HBx H 1 1.263 0.02 1 36 GLU HBy H 1 1.833 0.02 1 36 GLU HGx H 1 1.923 0.02 1 36 GLU HGy H 1 1.923 0.02 1 36 GLU CA C 13 59.263 0.2 1 36 GLU CB C 13 28.614 0.2 1 36 GLU CG C 13 35.571 0.2 1 36 GLU N N 15 116.196 0.2 1 37 LYS H H 1 7.593 0.02 1 37 LYS HA H 1 3.734 0.02 1 37 LYS HBx H 1 1.742 0.02 1 37 LYS HBy H 1 1.742 0.02 1 37 LYS HDx H 1 1.535 0.02 1 37 LYS HDy H 1 1.535 0.02 1 37 LYS HEx H 1 2.828 0.02 1 37 LYS HEy H 1 2.828 0.02 1 37 LYS HGx H 1 1.275 0.02 1 37 LYS HGy H 1 1.422 0.02 1 37 LYS CA C 13 60.01 0.2 1 37 LYS CB C 13 32.521 0.2 1 37 LYS CD C 13 29.144 0.2 1 37 LYS CE C 13 43.696 0.2 1 37 LYS CG C 13 25.083 0.2 1 37 LYS N N 15 116.536 0.2 1 38 ASN H H 1 8.376 0.02 1 38 ASN HA H 1 4.299 0.02 1 38 ASN HBx H 1 2.614 0.02 1 38 ASN HBy H 1 2.737 0.02 1 38 ASN CA C 13 56.312 0.2 1 38 ASN CB C 13 38.312 0.2 1 38 ASN N N 15 117.4 0.2 1 39 VAL H H 1 7.836 0.02 1 39 VAL HA H 1 3.431 0.02 1 39 VAL HB H 1 1.928 0.02 1 39 VAL HGx% H 1 0.733 0.02 1 39 VAL HGy% H 1 0.891 0.02 1 39 VAL CA C 13 67.475 0.2 1 39 VAL CB C 13 31.404 0.2 1 39 VAL CG1 C 13 22.877 0.2 1 39 VAL CG2 C 13 24.75 0.2 1 39 VAL N N 15 117.957 0.2 1 40 ARG H H 1 8.62 0.02 1 40 ARG HA H 1 3.725 0.02 1 40 ARG HBx H 1 1.758 0.02 1 40 ARG HBy H 1 1.758 0.02 1 40 ARG HDx H 1 3.058 0.02 1 40 ARG HDy H 1 3.058 0.02 1 40 ARG HGx H 1 1.492 0.02 1 40 ARG HGy H 1 1.492 0.02 1 40 ARG CA C 13 60.149 0.2 1 40 ARG CB C 13 29.242 0.2 1 40 ARG CD C 13 43.062 0.2 1 40 ARG CG C 13 27.606 0.2 1 40 ARG N N 15 118.278 0.2 1 41 ALA H H 1 7.735 0.02 1 41 ALA HA H 1 4.076 0.02 1 41 ALA HB% H 1 1.41 0.02 1 41 ALA CA C 13 55.126 0.2 1 41 ALA CB C 13 17.59 0.2 1 41 ALA N N 15 118.911 0.2 1 42 GLN H H 1 7.494 0.02 1 42 GLN HA H 1 3.967 0.02 1 42 GLN HBx H 1 1.965 0.02 1 42 GLN HBy H 1 2.042 0.02 1 42 GLN HE2x H 1 6.82 0.02 1 42 GLN HE2y H 1 7.443 0.02 1 42 GLN HGx H 1 2.287 0.02 1 42 GLN HGy H 1 2.538 0.02 1 42 GLN CA C 13 57.496 0.2 1 42 GLN CB C 13 28.474 0.2 1 42 GLN CG C 13 32.664 0.2 1 42 GLN N N 15 115.896 0.2 1 42 GLN NE2 N 15 109.776 0.2 1 43 LEU H H 1 8.134 0.02 1 43 LEU HA H 1 3.941 0.02 1 43 LEU HBx H 1 1.418 0.02 1 43 LEU HBy H 1 1.755 0.02 1 43 LEU HDx% H 1 0.671 0.02 1 43 LEU HDy% H 1 0.591 0.02 1 43 LEU HG H 1 1.667 0.02 1 43 LEU CA C 13 56.447 0.2 1 43 LEU CB C 13 41.312 0.2 1 43 LEU CD1 C 13 23.504 0.2 1 43 LEU CD2 C 13 25.995 0.2 1 43 LEU CG C 13 26.361 0.2 1 43 LEU N N 15 116.448 0.2 1 44 SER H H 1 7.691 0.02 1 44 SER HA H 1 4.166 0.02 1 44 SER HBx H 1 3.925 0.02 1 44 SER HBy H 1 3.925 0.02 1 44 SER CA C 13 61.545 0.2 1 44 SER CB C 13 63.219 0.2 1 44 SER N N 15 113 0.2 1 45 THR H H 1 7.271 0.02 1 45 THR HA H 1 4.24 0.02 1 45 THR HB H 1 4.326 0.02 1 45 THR HG2% H 1 1.146 0.02 1 45 THR CA C 13 62.382 0.2 1 45 THR CB C 13 69.219 0.2 1 45 THR CG2 C 13 21.526 0.2 1 45 THR N N 15 108.296 0.2 1 46 ILE H H 1 7.346 0.02 1 46 ILE HA H 1 3.933 0.02 1 46 ILE HB H 1 1.823 0.02 1 46 ILE HD1% H 1 0.539 0.02 1 46 ILE HG1y H 1 1.358 0.02 1 46 ILE HG1x H 1 0.965 0.02 1 46 ILE HG2% H 1 0.679 0.02 1 46 ILE CA C 13 61.202 0.2 1 46 ILE CB C 13 37.915 0.2 1 46 ILE CD1 C 13 13.323 0.2 1 46 ILE CG1 C 13 27.533 0.2 1 46 ILE CG2 C 13 17.308 0.2 1 46 ILE N N 15 120.851 0.2 1 47 GLU H H 1 8.585 0.02 1 47 GLU HA H 1 4.148 0.02 1 47 GLU HBx H 1 1.968 0.02 1 47 GLU HBy H 1 2.038 0.02 1 47 GLU HGx H 1 2.28 0.02 1 47 GLU HGy H 1 2.28 0.02 1 47 GLU CA C 13 57.568 0.2 1 47 GLU CB C 13 29.66 0.2 1 47 GLU CG C 13 36.363 0.2 1 47 GLU N N 15 124.953 0.2 1 48 SER H H 1 8.27 0.02 1 48 SER HA H 1 4.459 0.02 1 48 SER HBx H 1 3.685 0.02 1 48 SER HBy H 1 3.944 0.02 1 48 SER CA C 13 58.335 0.2 1 48 SER CB C 13 64.392 0.2 1 48 SER N N 15 113.509 0.2 1 49 ASP H H 1 7.839 0.02 1 49 ASP HA H 1 4.788 0.02 1 49 ASP HBx H 1 2.548 0.02 1 49 ASP HBy H 1 2.548 0.02 1 49 ASP CA C 13 54.149 0.2 1 49 ASP CB C 13 41.691 0.2 1 49 ASP N N 15 120.262 0.2 1 50 GLU H H 1 8.28 0.02 1 50 GLU HA H 1 3.978 0.02 1 50 GLU HBx H 1 1.816 0.02 1 50 GLU HBy H 1 1.948 0.02 1 50 GLU HGx H 1 2.057 0.02 1 50 GLU HGy H 1 2.057 0.02 1 50 GLU CA C 13 56.307 0.2 1 50 GLU CB C 13 28.404 0.2 1 50 GLU CG C 13 36.176 0.2 1 50 GLU N N 15 118.642 0.2 1 51 VAL H H 1 8.089 0.02 1 51 VAL HA H 1 4.112 0.02 1 51 VAL HB H 1 1.533 0.02 1 51 VAL HGx% H 1 0.421 0.02 1 51 VAL HGy% H 1 0.242 0.02 1 51 VAL CA C 13 60.289 0.2 1 51 VAL CB C 13 33.986 0.2 1 51 VAL CG1 C 13 20.849 0.2 1 51 VAL CG2 C 13 18.979 0.2 1 51 VAL N N 15 114.289 0.2 1 52 THR H H 1 8.187 0.02 1 52 THR HA H 1 4.459 0.02 1 52 THR HB H 1 3.895 0.02 1 52 THR HG2% H 1 1.029 0.02 1 52 THR CA C 13 59.034 0.2 1 52 THR CB C 13 69.943 0.2 1 52 THR CG2 C 13 21.307 0.2 1 52 THR N N 15 118.021 0.2 1 53 PRO HA H 1 4.29 0.02 1 53 PRO HBx H 1 1.214 0.02 1 53 PRO HBy H 1 2.134 0.02 1 53 PRO HDx H 1 3.299 0.02 1 53 PRO HDy H 1 3.605 0.02 1 53 PRO HGx H 1 1.031 0.02 1 53 PRO HGy H 1 1.031 0.02 1 53 PRO CA C 13 62.049 0.2 1 53 PRO CB C 13 28.42 0.2 1 53 PRO CD C 13 50.24 0.2 1 54 ASP H H 1 8.472 0.02 1 54 ASP HA H 1 4.448 0.02 1 54 ASP HBx H 1 2.493 0.02 1 54 ASP HBy H 1 3.099 0.02 1 54 ASP CA C 13 53.16 0.2 1 54 ASP CB C 13 41.971 0.2 1 54 ASP N N 15 122.987 0.2 1 55 ARG HA H 1 3.715 0.02 1 55 ARG HBx H 1 1.724 0.02 1 55 ARG HBy H 1 1.791 0.02 1 55 ARG HDx H 1 3.069 0.02 1 55 ARG HDy H 1 3.069 0.02 1 55 ARG HGx H 1 1.528 0.02 1 55 ARG HGy H 1 1.528 0.02 1 55 ARG CA C 13 59.8 0.2 1 55 ARG CB C 13 29.59 0.2 1 55 ARG CD C 13 43.208 0.2 1 55 ARG CG C 13 27.02 0.2 1 56 ARG H H 1 7.692 0.02 1 56 ARG HA H 1 3.976 0.02 1 56 ARG HBx H 1 1.855 0.02 1 56 ARG HBy H 1 1.855 0.02 1 56 ARG HDx H 1 3.134 0.02 1 56 ARG HDy H 1 3.134 0.02 1 56 ARG HGy H 1 1.729 0.02 1 56 ARG HGx H 1 1.523 0.02 1 56 ARG CA C 13 58.824 0.2 1 56 ARG CB C 13 29.451 0.2 1 56 ARG CD C 13 43.208 0.2 1 56 ARG CG C 13 27.338 0.2 1 56 ARG N N 15 118.544 0.2 1 56 ARG NH2 N 15 74.392 0.2 1 57 PHE H H 1 7.98 0.02 1 57 PHE HA H 1 4.062 0.02 1 57 PHE HBx H 1 2.979 0.02 1 57 PHE HBy H 1 3.367 0.02 1 57 PHE HDx H 1 6.851 0.02 1 57 PHE HDy H 1 6.851 0.02 1 57 PHE HEx H 1 7.022 0.02 1 57 PHE HEy H 1 7.022 0.02 1 57 PHE HZ H 1 6.913 0.02 1 57 PHE CA C 13 61.824 0.2 1 57 PHE CB C 13 39.846 0.2 1 57 PHE CDy C 13 131.5 0.2 1 57 PHE CEy C 13 131.7 0.2 1 57 PHE CZ C 13 129.333 0.2 1 57 PHE N N 15 120.808 0.2 1 58 ARG H H 1 8.245 0.02 1 58 ARG HA H 1 2.948 0.02 1 58 ARG HBx H 1 1 0.02 1 58 ARG HBy H 1 1.415 0.02 1 58 ARG HDy H 1 2.727 0.02 1 58 ARG HDx H 1 2.473 0.02 1 58 ARG HGy H 1 1.226 0.02 1 58 ARG HGx H 1 0.369 0.02 1 58 ARG CA C 13 60.079 0.2 1 58 ARG CB C 13 29.521 0.2 1 58 ARG CD C 13 43.504 0.2 1 58 ARG CG C 13 28.375 0.2 1 58 ARG N N 15 114.717 0.2 1 59 ALA H H 1 7.677 0.02 1 59 ALA HA H 1 4.019 0.02 1 59 ALA HB% H 1 1.372 0.02 1 59 ALA CA C 13 54.908 0.2 1 59 ALA CB C 13 17.844 0.2 1 59 ALA N N 15 118.286 0.2 1 60 ARG H H 1 7.391 0.02 1 60 ARG HA H 1 3.969 0.02 1 60 ARG HBx H 1 1.726 0.02 1 60 ARG HBy H 1 1.726 0.02 1 60 ARG HDy H 1 3.161 0.02 1 60 ARG HDx H 1 3.033 0.02 1 60 ARG HGx H 1 1.502 0.02 1 60 ARG HGy H 1 1.729 0.02 1 60 ARG CA C 13 58.963 0.2 1 60 ARG CB C 13 29.869 0.2 1 60 ARG CD C 13 43.941 0.2 1 60 ARG CG C 13 27.02 0.2 1 60 ARG N N 15 116.909 0.2 1 61 VAL H H 1 7.648 0.02 1 61 VAL HA H 1 3.12 0.02 1 61 VAL HB H 1 1.89 0.02 1 61 VAL HGx% H 1 0.804 0.02 1 61 VAL HGy% H 1 0.203 0.02 1 61 VAL CA C 13 66.638 0.2 1 61 VAL CB C 13 31.125 0.2 1 61 VAL CG1 C 13 22.225 0.2 1 61 VAL CG2 C 13 23.306 0.2 1 61 VAL N N 15 119.623 0.2 1 62 ASP H H 1 8.613 0.02 1 62 ASP HA H 1 3.99 0.02 1 62 ASP HBx H 1 2.693 0.02 1 62 ASP HBy H 1 2.901 0.02 1 62 ASP CA C 13 58.475 0.2 1 62 ASP CB C 13 43.056 0.2 1 62 ASP N N 15 119.195 0.2 1 63 ASP H H 1 8.073 0.02 1 63 ASP HA H 1 4.16 0.02 1 63 ASP HBx H 1 2.518 0.02 1 63 ASP HBy H 1 2.698 0.02 1 63 ASP CA C 13 57.707 0.2 1 63 ASP CB C 13 41.242 0.2 1 63 ASP N N 15 114.273 0.2 1 64 ALA H H 1 7.623 0.02 1 64 ALA HA H 1 4.049 0.02 1 64 ALA HB% H 1 1.274 0.02 1 64 ALA CA C 13 55.056 0.2 1 64 ALA CB C 13 18.706 0.2 1 64 ALA N N 15 119.771 0.2 1 65 ILE H H 1 8.366 0.02 1 65 ILE HA H 1 3.397 0.02 1 65 ILE HB H 1 1.795 0.02 1 65 ILE HD1% H 1 0.485 0.02 1 65 ILE HG1y H 1 1.947 0.02 1 65 ILE HG1x H 1 0.601 0.02 1 65 ILE HG2% H 1 0.591 0.02 1 65 ILE CA C 13 65.801 0.2 1 65 ILE CB C 13 37.753 0.2 1 65 ILE CD1 C 13 14.421 0.2 1 65 ILE CG1 C 13 29.168 0.2 1 65 ILE CG2 C 13 17.791 0.2 1 65 ILE N N 15 116.385 0.2 1 66 ARG H H 1 8.486 0.02 1 66 ARG HA H 1 3.63 0.02 1 66 ARG HBy H 1 1.821 0.02 1 66 ARG HBx H 1 1.533 0.02 1 66 ARG HDx H 1 2.904 0.02 1 66 ARG HDy H 1 3.118 0.02 1 66 ARG HGy H 1 1.718 0.02 1 66 ARG HGx H 1 1.191 0.02 1 66 ARG CA C 13 60.638 0.2 1 66 ARG CB C 13 29.521 0.2 1 66 ARG CD C 13 42.842 0.2 1 66 ARG CG C 13 30.275 0.2 1 66 ARG N N 15 116.201 0.2 1 67 GLU H H 1 8.551 0.02 1 67 GLU HA H 1 3.855 0.02 1 67 GLU HBx H 1 1.88 0.02 1 67 GLU HBy H 1 2.044 0.02 1 67 GLU HGx H 1 2.108 0.02 1 67 GLU HGy H 1 2.235 0.02 1 67 GLU CA C 13 59.382 0.2 1 67 GLU CB C 13 29.242 0.2 1 67 GLU CG C 13 35.535 0.2 1 67 GLU N N 15 119.373 0.2 1 68 GLY H H 1 8.013 0.02 1 68 GLY HAy H 1 3.837 0.02 1 68 GLY HAx H 1 3.229 0.02 1 68 GLY CA C 13 46.963 0.2 1 68 GLY N N 15 104.742 0.2 1 69 LEU H H 1 7.885 0.02 1 69 LEU HA H 1 4.092 0.02 1 69 LEU HBx H 1 1.66 0.02 1 69 LEU HBy H 1 1.753 0.02 1 69 LEU HDx% H 1 0.461 0.02 1 69 LEU HDy% H 1 0.47 0.02 1 69 LEU HG H 1 1.565 0.02 1 69 LEU CA C 13 57.216 0.2 1 69 LEU CB C 13 40.852 0.2 1 69 LEU CD1 C 13 26.141 0.2 1 69 LEU CD2 C 13 23.52 0.2 1 69 LEU CG C 13 27.02 0.2 1 69 LEU N N 15 117.268 0.2 1 70 LYS H H 1 8.386 0.02 1 70 LYS HA H 1 3.296 0.02 1 70 LYS HBx H 1 1.564 0.02 1 70 LYS HBy H 1 1.657 0.02 1 70 LYS HDx H 1 1.503 0.02 1 70 LYS HDy H 1 1.503 0.02 1 70 LYS HEx H 1 2.733 0.02 1 70 LYS HEy H 1 2.733 0.02 1 70 LYS HGx H 1 1.03 0.02 1 70 LYS HGy H 1 1.134 0.02 1 70 LYS CA C 13 59.94 0.2 1 70 LYS CB C 13 31.753 0.2 1 70 LYS CD C 13 29.584 0.2 1 70 LYS CE C 13 41.89 0.2 1 70 LYS CG C 13 24.823 0.2 1 70 LYS N N 15 121.607 0.2 1 71 ALA H H 1 6.983 0.02 1 71 ALA HA H 1 4.02 0.02 1 71 ALA HB% H 1 1.365 0.02 1 71 ALA CA C 13 54.289 0.2 1 71 ALA CB C 13 18.427 0.2 1 71 ALA N N 15 117.804 0.2 1 72 LEU H H 1 7.043 0.02 1 72 LEU HA H 1 4.356 0.02 1 72 LEU HBx H 1 1.799 0.02 1 72 LEU HBy H 1 1.877 0.02 1 72 LEU HDx% H 1 0.793 0.02 1 72 LEU HDy% H 1 0.556 0.02 1 72 LEU HG H 1 1.592 0.02 1 72 LEU CA C 13 53.87 0.2 1 72 LEU CB C 13 43.126 0.2 1 72 LEU CD1 C 13 22.405 0.2 1 72 LEU CD2 C 13 21.6 0.2 1 72 LEU CG C 13 27.109 0.2 1 72 LEU N N 15 113.601 0.2 1 73 GLY H H 1 7.435 0.02 1 73 GLY HAy H 1 3.939 0.02 1 73 GLY HAx H 1 3.19 0.02 1 73 GLY CA C 13 44.8 0.2 1 73 GLY N N 15 103.009 0.2 1 74 TYR H H 1 7.369 0.02 1 74 TYR HA H 1 4.522 0.02 1 74 TYR HBx H 1 2.488 0.02 1 74 TYR HBy H 1 2.783 0.02 1 74 TYR HDx H 1 6.531 0.02 1 74 TYR HDy H 1 6.531 0.02 1 74 TYR HEx H 1 6.495 0.02 1 74 TYR HEy H 1 6.495 0.02 1 74 TYR CA C 13 57.498 0.2 1 74 TYR CB C 13 37.195 0.2 1 74 TYR CDx C 13 133.831 0.2 1 74 TYR CEx C 13 118.228 0.2 1 74 TYR N N 15 119.206 0.2 1 75 TYR H H 1 8.884 0.02 1 75 TYR HA H 1 4.17 0.02 1 75 TYR HBx H 1 2.765 0.02 1 75 TYR HBy H 1 3.089 0.02 1 75 TYR HDx H 1 6.936 0.02 1 75 TYR HDy H 1 6.936 0.02 1 75 TYR HEx H 1 6.678 0.02 1 75 TYR HEy H 1 6.678 0.02 1 75 TYR CA C 13 58.265 0.2 1 75 TYR CB C 13 38.939 0.2 1 75 TYR CDx C 13 132.477 0.2 1 75 TYR CEx C 13 118.411 0.2 1 75 TYR N N 15 120.134 0.2 1 76 GLN H H 1 9.792 0.02 1 76 GLN HA H 1 4.856 0.02 1 76 GLN HBx H 1 1.827 0.02 1 76 GLN HBy H 1 2.138 0.02 1 76 GLN HGx H 1 2.204 0.02 1 76 GLN HGy H 1 2.204 0.02 1 76 GLN CA C 13 53.602 0.2 1 76 GLN CB C 13 29.782 0.2 1 76 GLN CG C 13 33.759 0.2 1 76 GLN N N 15 120.184 0.2 1 77 PRO HA H 1 4.598 0.02 1 77 PRO HBx H 1 1.302 0.02 1 77 PRO HBy H 1 1.881 0.02 1 77 PRO HDx H 1 3.463 0.02 1 77 PRO HDy H 1 3.749 0.02 1 77 PRO HGx H 1 0.459 0.02 1 77 PRO HGy H 1 0.459 0.02 1 77 PRO CA C 13 63.707 0.2 1 77 PRO CB C 13 33.777 0.2 1 77 PRO CD C 13 50.826 0.2 1 77 PRO CG C 13 26.361 0.2 1 78 THR H H 1 8.423 0.02 1 78 THR HA H 1 4.39 0.02 1 78 THR HB H 1 3.799 0.02 1 78 THR HG2% H 1 1.032 0.02 1 78 THR CA C 13 61.963 0.2 1 78 THR CB C 13 70.824 0.2 1 78 THR CG2 C 13 21.38 0.2 1 78 THR N N 15 112.352 0.2 1 79 ILE H H 1 8.584 0.02 1 79 ILE HA H 1 4.324 0.02 1 79 ILE HB H 1 1.418 0.02 1 79 ILE HD1% H 1 0.62 0.02 1 79 ILE HG1x H 1 0.621 0.02 1 79 ILE HG1y H 1 1.128 0.02 1 79 ILE HG2% H 1 0.069 0.02 1 79 ILE CA C 13 60.986 0.2 1 79 ILE CB C 13 40.335 0.2 1 79 ILE CD1 C 13 15.684 0.2 1 79 ILE CG1 C 13 29.296 0.2 1 79 ILE CG2 C 13 18.581 0.2 1 79 ILE N N 15 124.666 0.2 1 80 GLU H H 1 8.375 0.02 1 80 GLU HA H 1 4.485 0.02 1 80 GLU HBx H 1 1.647 0.02 1 80 GLU HBy H 1 1.847 0.02 1 80 GLU HGx H 1 1.957 0.02 1 80 GLU HGy H 1 1.957 0.02 1 80 GLU CA C 13 53.999 0.2 1 80 GLU CB C 13 33.089 0.2 1 80 GLU CG C 13 36.25 0.2 1 80 GLU N N 15 125.82 0.2 1 81 PHE H H 1 8.916 0.02 1 81 PHE HA H 1 5.522 0.02 1 81 PHE HBx H 1 2.722 0.02 1 81 PHE HBy H 1 2.778 0.02 1 81 PHE HDx H 1 7.065 0.02 1 81 PHE HDy H 1 7.065 0.02 1 81 PHE HEx H 1 7.036 0.02 1 81 PHE HEy H 1 7.036 0.02 1 81 PHE HZ H 1 6.869 0.02 1 81 PHE CA C 13 57.359 0.2 1 81 PHE CB C 13 42.149 0.2 1 81 PHE CDy C 13 131.665 0.2 1 81 PHE CEy C 13 131.044 0.2 1 81 PHE CZ C 13 129.511 0.2 1 81 PHE N N 15 120.215 0.2 1 82 ASP H H 1 9.11 0.02 1 82 ASP HA H 1 4.641 0.02 1 82 ASP HBx H 1 2.375 0.02 1 82 ASP HBy H 1 2.607 0.02 1 82 ASP CA C 13 53.521 0.2 1 82 ASP CB C 13 43.335 0.2 1 82 ASP N N 15 120.518 0.2 1 83 LEU H H 1 8.399 0.02 1 83 LEU HA H 1 4.71 0.02 1 83 LEU HBx H 1 1.053 0.02 1 83 LEU HBy H 1 1.848 0.02 1 83 LEU HDx% H 1 0.721 0.02 1 83 LEU HDy% H 1 0.753 0.02 1 83 LEU HG H 1 1.328 0.02 1 83 LEU CA C 13 54.079 0.2 1 83 LEU CB C 13 42.092 0.2 1 83 LEU CD1 C 13 23.284 0.2 1 83 LEU CD2 C 13 26.25 0.2 1 83 LEU CG C 13 27.167 0.2 1 83 LEU N N 15 126.131 0.2 1 84 ARG H H 1 8.719 0.02 1 84 ARG HA H 1 4.404 0.02 1 84 ARG HBx H 1 1.579 0.02 1 84 ARG HBy H 1 1.758 0.02 1 84 ARG HDx H 1 3.003 0.02 1 84 ARG HDy H 1 3.031 0.02 1 84 ARG HGx H 1 2.174 0.02 1 84 ARG HGy H 1 2.174 0.02 1 84 ARG CA C 13 53.055 0.2 1 84 ARG CB C 13 27.379 0.2 1 84 ARG CD C 13 41.5 0.2 1 84 ARG CG C 13 27.386 0.2 1 84 ARG N N 15 127.832 0.2 1 85 PRO HA H 1 4.514 0.02 1 85 PRO HBy H 1 2.265 0.02 1 85 PRO HBx H 1 1.613 0.02 1 85 PRO HDx H 1 3.502 0.02 1 85 PRO HDy H 1 3.627 0.02 1 85 PRO HGy H 1 2.024 0.02 1 85 PRO HGx H 1 1.846 0.02 1 85 PRO CA C 13 61.521 0.2 1 85 PRO CB C 13 30.243 0.2 1 85 PRO CD C 13 50.226 0.2 1 85 PRO CG C 13 27.473 0.2 1 86 PRO HA H 1 4.521 0.02 1 86 PRO HBy H 1 2.265 0.02 1 86 PRO HBx H 1 1.618 0.02 1 86 PRO HDx H 1 3.42 0.02 1 86 PRO HDy H 1 3.698 0.02 1 86 PRO HGx H 1 1.93 0.02 1 86 PRO HGy H 1 1.965 0.02 1 86 PRO CA C 13 61.448 0.2 1 86 PRO CB C 13 30.316 0.2 1 86 PRO CD C 13 49.8 0.2 1 86 PRO CG C 13 27.899 0.2 1 87 PRO HA H 1 4.566 0.02 1 87 PRO HBx H 1 1.971 0.02 1 87 PRO HBy H 1 2.024 0.02 1 87 PRO HDx H 1 3.32 0.02 1 87 PRO HDy H 1 3.718 0.02 1 87 PRO HGy H 1 1.674 0.02 1 87 PRO HGx H 1 1.268 0.02 1 87 PRO CA C 13 61.727 0.2 1 87 PRO CB C 13 32.661 0.2 1 87 PRO CD C 13 49.728 0.2 1 87 PRO CG C 13 26.288 0.2 1 88 LYS H H 1 8.559 0.02 1 88 LYS HA H 1 3.874 0.02 1 88 LYS HBx H 1 1.697 0.02 1 88 LYS HBy H 1 1.697 0.02 1 88 LYS HDx H 1 1.569 0.02 1 88 LYS HDy H 1 1.569 0.02 1 88 LYS HEx H 1 2.861 0.02 1 88 LYS HEy H 1 2.861 0.02 1 88 LYS HGx H 1 1.318 0.02 1 88 LYS HGy H 1 1.399 0.02 1 88 LYS CA C 13 58.684 0.2 1 88 LYS CB C 13 32.102 0.2 1 88 LYS CD C 13 28.778 0.2 1 88 LYS CE C 13 42.036 0.2 1 88 LYS CG C 13 25.042 0.2 1 88 LYS N N 15 118.637 0.2 1 89 LYS H H 1 7.553 0.02 1 89 LYS HA H 1 4.316 0.02 1 89 LYS HBx H 1 1.547 0.02 1 89 LYS HBy H 1 1.622 0.02 1 89 LYS HDx H 1 1.533 0.02 1 89 LYS HDy H 1 1.533 0.02 1 89 LYS HEx H 1 2.828 0.02 1 89 LYS HEy H 1 2.828 0.02 1 89 LYS HGx H 1 1.205 0.02 1 89 LYS HGy H 1 1.205 0.02 1 89 LYS CA C 13 55.36 0.2 1 89 LYS CB C 13 34.875 0.2 1 89 LYS CD C 13 29.071 0.2 1 89 LYS CE C 13 42.036 0.2 1 89 LYS CG C 13 24.443 0.2 1 89 LYS N N 15 113.907 0.2 1 90 GLY H H 1 8.417 0.02 1 90 GLY HAy H 1 4.19 0.02 1 90 GLY HAx H 1 3.673 0.02 1 90 GLY CA C 13 43.893 0.2 1 90 GLY N N 15 108.871 0.2 1 91 ARG H H 1 8.291 0.02 1 91 ARG HA H 1 4.116 0.02 1 91 ARG HBx H 1 1.384 0.02 1 91 ARG HBy H 1 1.419 0.02 1 91 ARG HDx H 1 2.861 0.02 1 91 ARG HDy H 1 2.861 0.02 1 91 ARG HGx H 1 1.284 0.02 1 91 ARG HGy H 1 1.573 0.02 1 91 ARG CA C 13 56.242 0.2 1 91 ARG CB C 13 31.823 0.2 1 91 ARG CD C 13 43.501 0.2 1 91 ARG CG C 13 28.102 0.2 1 91 ARG N N 15 117 0.2 1 92 GLN H H 1 8.374 0.02 1 92 GLN HA H 1 4.261 0.02 1 92 GLN HBx H 1 1.665 0.02 1 92 GLN HBy H 1 1.847 0.02 1 92 GLN HE2x H 1 6.74 0.02 1 92 GLN HE2y H 1 8.039 0.02 1 92 GLN HGy H 1 2.177 0.02 1 92 GLN HGx H 1 2.032 0.02 1 92 GLN CA C 13 55.196 0.2 1 92 GLN CB C 13 29.242 0.2 1 92 GLN CG C 13 33.027 0.2 1 92 GLN N N 15 121.361 0.2 1 92 GLN NE2 N 15 108.7 0.2 1 93 VAL H H 1 8.786 0.02 1 93 VAL HA H 1 4.39 0.02 1 93 VAL HB H 1 1.734 0.02 1 93 VAL HGx% H 1 0.789 0.02 1 93 VAL HGy% H 1 0.705 0.02 1 93 VAL CA C 13 62.312 0.2 1 93 VAL CB C 13 33.71 0.2 1 93 VAL CG1 C 13 21.966 0.2 1 93 VAL CG2 C 13 21.6 0.2 1 93 VAL N N 15 126.074 0.2 1 94 LEU H H 1 8.49 0.02 1 94 LEU HA H 1 4.848 0.02 1 94 LEU HBx H 1 0.983 0.02 1 94 LEU HBy H 1 1.821 0.02 1 94 LEU HDx% H 1 0.698 0.02 1 94 LEU HDy% H 1 0.787 0.02 1 94 LEU HG H 1 1.372 0.02 1 94 LEU CA C 13 53.172 0.2 1 94 LEU CB C 13 44.312 0.2 1 94 LEU CD1 C 13 26.384 0.2 1 94 LEU CD2 C 13 23.506 0.2 1 94 LEU CG C 13 27.386 0.2 1 94 LEU N N 15 126.555 0.2 1 95 ILE H H 1 8.854 0.02 1 95 ILE HA H 1 4.693 0.02 1 95 ILE HB H 1 1.89 0.02 1 95 ILE HD1% H 1 0.7 0.02 1 95 ILE HG1x H 1 0.855 0.02 1 95 ILE HG1y H 1 1.508 0.02 1 95 ILE HG2% H 1 0.636 0.02 1 95 ILE CA C 13 60.01 0.2 1 95 ILE CB C 13 39.219 0.2 1 95 ILE CD1 C 13 13.323 0.2 1 95 ILE CG1 C 13 28.546 0.2 1 95 ILE CG2 C 13 17.278 0.2 1 95 ILE N N 15 125.964 0.2 1 96 ALA H H 1 8.74 0.02 1 96 ALA HA H 1 4.485 0.02 1 96 ALA HB% H 1 0.777 0.02 1 96 ALA CA C 13 49.684 0.2 1 96 ALA CB C 13 20.032 0.2 1 96 ALA N N 15 128.118 0.2 1 97 LYS H H 1 8.949 0.02 1 97 LYS HA H 1 4.382 0.02 1 97 LYS HBx H 1 1.457 0.02 1 97 LYS HBy H 1 1.581 0.02 1 97 LYS HDx H 1 1.394 0.02 1 97 LYS HDy H 1 1.394 0.02 1 97 LYS HEx H 1 2.675 0.02 1 97 LYS HEy H 1 2.675 0.02 1 97 LYS HGy H 1 1.056 0.02 1 97 LYS CA C 13 55.475 0.2 1 97 LYS CB C 13 32.242 0.2 1 97 LYS CD C 13 29.071 0.2 1 97 LYS CE C 13 41.89 0.2 1 97 LYS CG C 13 25.017 0.2 1 97 LYS N N 15 123.492 0.2 1 98 VAL H H 1 8.704 0.02 1 98 VAL HA H 1 4.416 0.02 1 98 VAL HB H 1 1.693 0.02 1 98 VAL HGx% H 1 0.672 0.02 1 98 VAL HGy% H 1 0.455 0.02 1 98 VAL CA C 13 61.335 0.2 1 98 VAL CB C 13 33.497 0.2 1 98 VAL CG1 C 13 22.334 0.2 1 98 VAL CG2 C 13 22.44 0.2 1 98 VAL N N 15 126.648 0.2 1 99 THR H H 1 8.824 0.02 1 99 THR HA H 1 4.54 0.02 1 99 THR HB H 1 3.984 0.02 1 99 THR HG2% H 1 1.053 0.02 1 99 THR CA C 13 59.065 0.2 1 99 THR CB C 13 69.827 0.2 1 99 THR CG2 C 13 21.014 0.2 1 99 THR N N 15 122.549 0.2 1 100 PRO HA H 1 3.5 0.02 1 100 PRO HBx H 1 1 0.02 1 100 PRO HBy H 1 1.294 0.02 1 100 PRO HDy H 1 3.747 0.02 1 100 PRO HDx H 1 3.463 0.02 1 100 PRO HGx H 1 1.284 0.02 1 100 PRO HGy H 1 1.834 0.02 1 100 PRO CA C 13 65.382 0.2 1 100 PRO CB C 13 31.544 0.2 1 100 PRO CD C 13 50.826 0.2 1 100 PRO CG C 13 27.409 0.2 1 101 GLY H H 1 7.772 0.02 1 101 GLY HAy H 1 4.004 0.02 1 101 GLY HAx H 1 3.502 0.02 1 101 GLY CA C 13 44.242 0.2 1 101 GLY N N 15 100.098 0.2 1 102 VAL H H 1 8.178 0.02 1 102 VAL HA H 1 3.926 0.02 1 102 VAL HB H 1 1.908 0.02 1 102 VAL HGx% H 1 0.835 0.02 1 102 VAL HGy% H 1 0.791 0.02 1 102 VAL CA C 13 62.173 0.2 1 102 VAL CB C 13 33.149 0.2 1 102 VAL CG1 C 13 20.574 0.2 1 102 VAL CG2 C 13 21.035 0.2 1 102 VAL N N 15 116.731 0.2 1 103 LEU H H 1 8.235 0.02 1 103 LEU HA H 1 3.639 0.02 1 103 LEU HBx H 1 1.035 0.02 1 103 LEU HBy H 1 1.277 0.02 1 103 LEU HDx% H 1 0.268 0.02 1 103 LEU HDy% H 1 0.399 0.02 1 103 LEU CA C 13 54.289 0.2 1 103 LEU CB C 13 42.847 0.2 1 103 LEU CD1 C 13 23.492 0.2 1 103 LEU CD2 C 13 24.969 0.2 1 103 LEU N N 15 127.188 0.2 1 104 GLU H H 1 8.555 0.02 1 104 GLU HA H 1 4.117 0.02 1 104 GLU HBx H 1 1.798 0.02 1 104 GLU HBy H 1 1.798 0.02 1 104 GLU HGx H 1 1.948 0.02 1 104 GLU HGy H 1 1.998 0.02 1 104 GLU CA C 13 56.242 0.2 1 104 GLU CB C 13 30.707 0.2 1 104 GLU CG C 13 36.176 0.2 1 104 GLU N N 15 124.772 0.2 1 105 HIS H H 1 8.321 0.02 1 105 HIS CA C 13 56.866 0.2 1 105 HIS CB C 13 30.852 0.2 1 105 HIS N N 15 119.321 0.2 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 1 23 ASN HBy 1 24 VAL HGx% 1.0 1.8 5.50 2 2 1 23 ASN HA 1 24 VAL H 1.0 1.8 2.94 3 3 1 24 VAL HGx% 1 23 ASN HA 1.0 1.8 4.96 4 4 1 23 ASN HA 1 91 ARG H 1.0 1.8 5.08 5 5 1 23 ASN HBy 1 91 ARG HA 1.0 1.8 4.54 6 6 1 23 ASN HBy 1 91 ARG H 1.0 1.8 4.45 7 7 1 23 ASN HBy 1 91 ARG HDx 1.0 1.8 4.15 8 7 1 23 ASN HBy 1 91 ARG HDy 1.0 1.8 4.15 9 8 1 23 ASN HBy 1 91 ARG HGx 1.0 1.8 4.37 10 9 1 91 ARG HGx 1 23 ASN HBx 1.0 1.8 4.36 11 10 1 23 ASN HBx 1 91 ARG HBy 1.0 1.8 5.50 12 10 1 23 ASN HBx 1 91 ARG HBx 1.0 1.8 5.50 13 11 1 23 ASN HBx 1 91 ARG HGy 1.0 1.8 5.50 14 12 1 91 ARG HA 1 23 ASN HBx 1.0 1.8 4.49 15 13 1 23 ASN HA 1 91 ARG HGx 1.0 1.8 5.50 16 14 1 24 VAL HGx% 1 24 VAL H 1.0 1.8 3.97 17 15 1 24 VAL H 1 24 VAL HB 1.0 1.8 3.96 18 16 1 24 VAL HA 1 24 VAL HGy% 1.0 1.8 3.59 19 17 1 24 VAL H 1 24 VAL HGy% 1.0 1.8 4.18 20 18 1 24 VAL H 1 25 ARG H 1.0 1.8 4.71 21 19 1 24 VAL HA 1 25 ARG HBx 1.0 1.8 5.50 22 20 1 24 VAL HGy% 1 25 ARG H 1.0 1.8 3.60 23 21 1 24 VAL HA 1 25 ARG HGx 1.0 1.8 4.95 24 21 1 24 VAL HA 1 25 ARG HGy 1.0 1.8 4.95 25 22 1 24 VAL HA 1 25 ARG H 1.0 1.8 3.10 26 23 1 24 VAL HGy% 1 26 LEU H 1.0 1.8 4.69 27 24 1 24 VAL HGx% 1 48 SER HBy 1.0 1.8 4.89 28 25 1 24 VAL HGx% 1 48 SER HBx 1.0 1.8 5.27 29 26 1 24 VAL HB 1 48 SER HBy 1.0 1.8 4.37 30 27 1 24 VAL HB 1 48 SER HBx 1.0 1.8 4.51 31 28 1 24 VAL HGy% 1 48 SER HBy 1.0 1.8 5.50 32 29 1 24 VAL HA 1 91 ARG HBy 1.0 1.8 4.86 33 29 1 91 ARG HBx 1 24 VAL HA 1.0 1.8 4.86 34 30 1 24 VAL HGx% 1 91 ARG HA 1.0 1.8 5.44 35 31 1 24 VAL HA 1 92 GLN H 1.0 1.8 3.91 36 32 1 24 VAL HA 1 92 GLN HBx 1.0 1.8 5.50 37 33 1 24 VAL HA 1 93 VAL HA 1.0 1.8 5.50 38 34 1 25 ARG H 1 25 ARG HDy 1.0 1.8 5.04 39 35 1 25 ARG H 1 25 ARG HDx 1.0 1.8 5.13 40 36 1 25 ARG H 1 25 ARG HBy 1.0 1.8 3.90 41 37 1 25 ARG H 1 25 ARG HBx 1.0 1.8 4.08 42 38 1 25 ARG HA 1 26 LEU HBx 1.0 1.8 5.17 43 39 1 25 ARG HBx 1 26 LEU H 1.0 1.8 4.79 44 40 1 26 LEU H 1 25 ARG HGx 1.0 1.8 4.48 45 40 1 25 ARG HGy 1 26 LEU H 1.0 1.8 4.48 46 41 1 26 LEU H 1 25 ARG HA 1.0 1.8 2.85 47 42 1 26 LEU H 1 26 LEU HBy 1.0 1.8 3.50 48 43 1 26 LEU H 1 26 LEU HBx 1.0 1.8 3.53 49 44 1 26 LEU H 1 26 LEU HDy% 1.0 1.8 4.98 50 45 1 26 LEU HBy 1 26 LEU HDy% 1.0 1.8 3.02 51 46 1 26 LEU HBx 1 26 LEU HDy% 1.0 1.8 3.25 52 47 1 26 LEU H 1 26 LEU HDx% 1.0 1.8 4.20 53 48 1 26 LEU HDx% 1 26 LEU HA 1.0 1.8 3.55 54 49 1 26 LEU HDy% 1 26 LEU HA 1.0 1.8 4.41 55 50 1 26 LEU HBy 1 27 GLN H 1.0 1.8 4.54 56 51 1 26 LEU HBx 1 27 GLN H 1.0 1.8 4.69 57 52 1 26 LEU HDy% 1 27 GLN H 1.0 1.8 4.89 58 53 1 26 LEU HDx% 1 27 GLN H 1.0 1.8 3.81 59 54 1 26 LEU HA 1 27 GLN H 1.0 1.8 2.95 60 55 1 26 LEU H 1 43 LEU HA 1.0 1.8 5.17 61 56 1 26 LEU HBx 1 43 LEU HBy 1.0 1.8 4.74 62 57 1 26 LEU HBy 1 43 LEU HBy 1.0 1.8 3.57 63 58 1 26 LEU HDy% 1 43 LEU HDy% 1.0 1.8 3.15 64 59 1 26 LEU HDy% 1 43 LEU HA 1.0 1.8 5.42 65 60 1 26 LEU HBx 1 43 LEU HA 1.0 1.8 3.39 66 61 1 26 LEU HA 1 94 LEU H 1.0 1.8 4.42 67 62 1 26 LEU HDx% 1 94 LEU HBy 1.0 1.8 4.04 68 63 1 26 LEU HA 1 94 LEU HBy 1.0 1.8 3.95 69 64 1 26 LEU HA 1 94 LEU HDx% 1.0 1.8 4.65 70 65 1 27 GLN H 1 27 GLN HGx 1.0 1.8 4.58 71 65 1 27 GLN H 1 27 GLN HGy 1.0 1.8 4.58 72 66 1 27 GLN HA 1 27 GLN HGx 1.0 1.8 3.77 73 66 1 27 GLN HGy 1 27 GLN HA 1.0 1.8 3.77 74 67 1 28 VAL H 1 27 GLN HGx 1.0 1.8 4.20 75 67 1 27 GLN HGy 1 28 VAL H 1.0 1.8 4.20 76 68 1 27 GLN HA 1 28 VAL HGy% 1.0 1.8 4.03 77 69 1 27 GLN HA 1 28 VAL H 1.0 1.8 2.79 78 70 1 27 GLN H 1 94 LEU H 1.0 1.8 4.32 79 71 1 28 VAL H 1 28 VAL HB 1.0 1.8 4.06 80 72 1 28 VAL H 1 28 VAL HGy% 1.0 1.8 3.47 81 73 1 28 VAL HGy% 1 28 VAL HA 1.0 1.8 3.32 82 74 1 28 VAL H 1 28 VAL HGx% 1.0 1.8 3.94 83 75 1 28 VAL HA 1 28 VAL HGx% 1.0 1.8 3.26 84 76 1 28 VAL HB 1 29 GLU H 1.0 1.8 4.64 85 77 1 28 VAL HA 1 29 GLU H 1.0 1.8 3.00 86 78 1 28 VAL HGx% 1 29 GLU H 1.0 1.8 3.53 87 79 1 28 VAL HGx% 1 31 LEU HBx 1.0 1.8 4.41 88 80 1 28 VAL HGx% 1 31 LEU HG 1.0 1.8 4.40 89 81 1 28 VAL HGy% 1 36 GLU HGx 1.0 1.8 4.80 90 81 1 28 VAL HGy% 1 36 GLU HGy 1.0 1.8 4.80 91 82 1 28 VAL HGx% 1 36 GLU HA 1.0 1.8 4.73 92 83 1 28 VAL HGy% 1 36 GLU HA 1.0 1.8 4.56 93 84 1 29 GLU H 1 29 GLU HGx 1.0 1.8 3.92 94 84 1 29 GLU H 1 29 GLU HGy 1.0 1.8 3.92 95 85 1 29 GLU HA 1 29 GLU HGx 1.0 1.8 3.31 96 85 1 29 GLU HGy 1 29 GLU HA 1.0 1.8 3.31 97 86 1 29 GLU H 1 29 GLU HBx 1.0 1.8 3.72 98 87 1 29 GLU HBy 1 30 GLY H 1.0 1.8 3.94 99 88 1 29 GLU HA 1 30 GLY H 1.0 1.8 3.17 100 89 1 29 GLU HBx 1 30 GLY H 1.0 1.8 4.43 101 90 1 30 GLY HAx 1 29 GLU HGx 1.0 1.8 5.50 102 90 1 29 GLU HGy 1 30 GLY HAx 1.0 1.8 5.50 103 91 1 30 GLY H 1 29 GLU HGx 1.0 1.8 3.94 104 91 1 29 GLU HGy 1 30 GLY H 1.0 1.8 3.94 105 92 1 95 ILE HG2% 1 29 GLU HGx 1.0 1.8 3.78 106 92 1 29 GLU HGy 1 95 ILE HG2% 1.0 1.8 3.78 107 93 1 29 GLU HBx 1 95 ILE HG2% 1.0 1.8 4.05 108 94 1 29 GLU H 1 97 LYS HA 1.0 1.8 4.00 109 95 1 29 GLU HBy 1 97 LYS HGy 1.0 1.8 4.27 110 96 1 29 GLU HBy 1 97 LYS HBy 1.0 1.8 4.32 111 97 1 29 GLU HBy 1 97 LYS HA 1.0 1.8 4.33 112 98 1 29 GLU HBx 1 97 LYS HA 1.0 1.8 3.58 113 99 1 29 GLU HBx 1 98 VAL H 1.0 1.8 4.16 114 100 1 30 GLY H 1 31 LEU HDy% 1.0 1.8 5.45 115 101 1 31 LEU HG 1 30 GLY HAy 1.0 1.8 5.50 116 102 1 98 VAL H 1 30 GLY HAy 1.0 1.8 4.14 117 103 1 30 GLY HAx 1 98 VAL H 1.0 1.8 4.64 118 104 1 31 LEU HBx 1 31 LEU H 1.0 1.8 4.05 119 105 1 31 LEU HDy% 1 31 LEU H 1.0 1.8 3.88 120 106 1 31 LEU H 1 31 LEU HBy 1.0 1.8 3.81 121 107 1 31 LEU HDy% 1 31 LEU HBy 1.0 1.8 3.83 122 108 1 31 LEU HBx 1 31 LEU HDy% 1.0 1.8 3.85 123 109 1 31 LEU H 1 31 LEU HDx% 1.0 1.8 4.20 124 110 1 31 LEU HBy 1 31 LEU HDx% 1.0 1.8 3.53 125 111 1 31 LEU HG 1 31 LEU H 1.0 1.8 4.00 126 112 1 31 LEU HDy% 1 31 LEU HA 1.0 1.8 3.14 127 113 1 31 LEU HDx% 1 31 LEU HA 1.0 1.8 3.85 128 114 1 31 LEU HA 1 32 SER H 1.0 1.8 3.04 129 115 1 31 LEU HBx 1 32 SER H 1.0 1.8 3.82 130 116 1 31 LEU HDy% 1 32 SER H 1.0 1.8 3.69 131 117 1 31 LEU HBx 1 35 LEU HBy 1.0 1.8 4.35 132 118 1 31 LEU HA 1 35 LEU HDx% 1.0 1.8 4.10 133 119 1 31 LEU HDy% 1 35 LEU HA 1.0 1.8 4.10 134 120 1 31 LEU HDy% 1 35 LEU HBy 1.0 1.8 3.46 135 121 1 31 LEU HBx 1 36 GLU H 1.0 1.8 4.27 136 122 1 31 LEU HDy% 1 36 GLU H 1.0 1.8 5.09 137 123 1 31 LEU HA 1 36 GLU H 1.0 1.8 4.28 138 124 1 31 LEU H 1 36 GLU HBy 1.0 1.8 5.27 139 125 1 31 LEU HBy 1 36 GLU H 1.0 1.8 5.18 140 126 1 31 LEU HBy 1 36 GLU HBx 1.0 1.8 3.71 141 127 1 31 LEU HBx 1 36 GLU HBx 1.0 1.8 3.94 142 128 1 31 LEU HBx 1 36 GLU HGx 1.0 1.8 4.35 143 128 1 31 LEU HBx 1 36 GLU HGy 1.0 1.8 4.35 144 129 1 31 LEU HDx% 1 36 GLU H 1.0 1.8 5.07 145 130 1 36 GLU HA 1 31 LEU HDx% 1.0 1.8 3.62 146 131 1 36 GLU HA 1 31 LEU HA 1.0 1.8 4.77 147 132 1 36 GLU HA 1 31 LEU HBy 1.0 1.8 3.83 148 133 1 31 LEU HBx 1 36 GLU HA 1.0 1.8 3.57 149 134 1 31 LEU HDx% 1 38 ASN H 1.0 1.8 5.50 150 135 1 31 LEU HDy% 1 39 VAL H 1.0 1.8 4.68 151 136 1 31 LEU HDx% 1 39 VAL HGy% 1.0 1.8 3.31 152 137 1 31 LEU HDx% 1 39 VAL HB 1.0 1.8 3.56 153 138 1 31 LEU HDy% 1 39 VAL HGy% 1.0 1.8 3.06 154 139 1 31 LEU HDy% 1 39 VAL HGx% 1.0 1.8 3.46 155 140 1 98 VAL H 1 31 LEU HDy% 1.0 1.8 4.41 156 141 1 31 LEU HDy% 1 98 VAL HA 1.0 1.8 5.43 157 142 1 32 SER H 1 32 SER HBy 1.0 1.8 4.20 158 143 1 32 SER HBy 1 32 SER HA 1.0 1.8 2.98 159 144 1 32 SER H 1 32 SER HBx 1.0 1.8 4.05 160 145 1 32 SER HA 1 32 SER HBx 1.0 1.8 2.94 161 146 1 32 SER HBy 1 33 GLY H 1.0 1.8 4.13 162 147 1 32 SER HBx 1 33 GLY H 1.0 1.8 4.16 163 148 1 32 SER H 1 35 LEU HBx 1.0 1.8 5.06 164 149 1 32 SER H 1 35 LEU HBy 1.0 1.8 4.15 165 150 1 32 SER HBy 1 35 LEU H 1.0 1.8 5.50 166 151 1 35 LEU HBy 1 32 SER HBy 1.0 1.8 5.50 167 152 1 32 SER H 1 35 LEU HDx% 1.0 1.8 4.68 168 153 1 36 GLU HA 1 32 SER H 1.0 1.8 5.20 169 154 1 32 SER H 1 36 GLU HBy 1.0 1.8 3.95 170 155 1 32 SER HA 1 36 GLU HGx 1.0 1.8 4.10 171 155 1 36 GLU HGy 1 32 SER HA 1.0 1.8 4.10 172 156 1 32 SER H 1 36 GLU HBx 1.0 1.8 4.55 173 157 1 36 GLU HBy 1 32 SER HA 1.0 1.8 4.36 174 158 1 36 GLU HBx 1 32 SER HA 1.0 1.8 3.90 175 159 1 35 LEU H 1 33 GLY HAy 1.0 1.8 5.50 176 160 1 35 LEU H 1 33 GLY HAx 1.0 1.8 5.50 177 161 1 34 GLN HA 1 34 GLN HGx 1.0 1.8 3.29 178 161 1 34 GLN HA 1 34 GLN HGy 1.0 1.8 3.29 179 162 1 35 LEU H 1 34 GLN HGx 1.0 1.8 5.50 180 162 1 35 LEU H 1 34 GLN HGy 1.0 1.8 5.50 181 163 1 35 LEU H 1 34 GLN HBy 1.0 1.8 4.10 182 164 1 35 LEU H 1 34 GLN HBx 1.0 1.8 3.95 183 165 1 34 GLN HA 1 35 LEU HDy% 1.0 1.8 4.96 184 166 1 36 GLU H 1 34 GLN HA 1.0 1.8 4.92 185 167 1 34 GLN HGy 1 37 LYS HBy 1.0 1.8 4.30 186 167 1 37 LYS HBx 1 34 GLN HGx 1.0 1.8 4.30 187 167 1 34 GLN HGy 1 37 LYS HBx 1.0 1.8 4.30 188 167 1 34 GLN HGx 1 37 LYS HBy 1.0 1.8 4.30 189 168 1 34 GLN HBx 1 37 LYS HGy 1.0 1.8 5.50 190 169 1 34 GLN HA 1 37 LYS H 1.0 1.8 3.55 191 170 1 34 GLN HA 1 37 LYS HBy 1.0 1.8 2.97 192 170 1 34 GLN HA 1 37 LYS HBx 1.0 1.8 2.97 193 171 1 38 ASN H 1 34 GLN HA 1.0 1.8 4.38 194 172 1 35 LEU HBy 1 35 LEU H 1.0 1.8 3.52 195 173 1 35 LEU HBx 1 35 LEU H 1.0 1.8 3.84 196 174 1 35 LEU HBx 1 35 LEU HDy% 1.0 1.8 3.91 197 175 1 35 LEU H 1 35 LEU HG 1.0 1.8 4.13 198 176 1 35 LEU HA 1 35 LEU HG 1.0 1.8 3.52 199 177 1 35 LEU HBy 1 35 LEU HDx% 1.0 1.8 3.14 200 178 1 35 LEU HDx% 1 35 LEU H 1.0 1.8 5.10 201 179 1 35 LEU H 1 35 LEU HDy% 1.0 1.8 3.19 202 180 1 35 LEU HBy 1 35 LEU HDy% 1.0 1.8 3.33 203 181 1 35 LEU HA 1 35 LEU HDy% 1.0 1.8 3.22 204 182 1 35 LEU HDx% 1 35 LEU HA 1.0 1.8 3.82 205 183 1 36 GLU H 1 35 LEU H 1.0 1.8 3.34 206 184 1 35 LEU HBy 1 36 GLU H 1.0 1.8 3.75 207 185 1 36 GLU H 1 35 LEU HBx 1.0 1.8 4.19 208 186 1 36 GLU H 1 35 LEU HG 1.0 1.8 5.18 209 187 1 36 GLU H 1 35 LEU HDy% 1.0 1.8 4.36 210 188 1 35 LEU H 1 37 LYS HGy 1.0 1.8 4.14 211 189 1 38 ASN H 1 35 LEU H 1.0 1.8 5.19 212 190 1 38 ASN H 1 35 LEU HDy% 1.0 1.8 4.69 213 191 1 35 LEU HA 1 38 ASN HBx 1.0 1.8 4.06 214 192 1 35 LEU HDy% 1 38 ASN HBx 1.0 1.8 3.98 215 193 1 35 LEU HA 1 38 ASN HBy 1.0 1.8 4.28 216 194 1 35 LEU HBy 1 69 LEU HDy% 1.0 1.8 3.61 217 195 1 35 LEU HBx 1 69 LEU HDy% 1.0 1.8 3.90 218 196 1 35 LEU HDy% 1 69 LEU HA 1.0 1.8 5.50 219 197 1 35 LEU HDy% 1 69 LEU HDy% 1.0 1.8 3.41 220 198 1 35 LEU HBx 1 72 LEU HBx 1.0 2.0 5.24 221 199 1 35 LEU HDx% 1 72 LEU HBy 1.0 1.8 5.34 222 200 1 35 LEU HDx% 1 72 LEU HBx 1.0 1.8 5.50 223 201 1 35 LEU HA 1 72 LEU HDx% 1.0 1.8 5.50 224 202 1 35 LEU HDx% 1 73 GLY HAy 1.0 1.8 5.31 225 203 1 35 LEU HDx% 1 73 GLY HAx 1.0 1.8 5.50 226 204 1 35 LEU HDy% 1 74 TYR HBx 1.0 1.8 5.50 227 205 1 35 LEU HG 1 74 TYR HE% 1.0 1.8 4.42 228 206 1 35 LEU HDx% 1 74 TYR HE% 1.0 1.8 3.47 229 207 1 35 LEU HDy% 1 74 TYR HE% 1.0 1.8 3.48 230 208 1 36 GLU H 1 36 GLU HBy 1.0 1.8 3.18 231 209 1 36 GLU H 1 36 GLU HGx 1.0 1.8 3.91 232 209 1 36 GLU HGy 1 36 GLU H 1.0 1.8 3.91 233 210 1 36 GLU HA 1 36 GLU HGx 1.0 1.8 3.32 234 210 1 36 GLU HGy 1 36 GLU HA 1.0 1.8 3.32 235 211 1 36 GLU H 1 36 GLU HBx 1.0 1.8 3.47 236 212 1 37 LYS H 1 36 GLU HGx 1.0 1.8 4.04 237 212 1 36 GLU HGy 1 37 LYS H 1.0 1.8 4.04 238 213 1 37 LYS HA 1 36 GLU HGx 1.0 1.8 4.75 239 213 1 36 GLU HGy 1 37 LYS HA 1.0 1.8 4.75 240 214 1 36 GLU H 1 37 LYS HBy 1.0 1.8 5.50 241 214 1 36 GLU H 1 37 LYS HBx 1.0 1.8 5.50 242 215 1 36 GLU HBx 1 37 LYS H 1.0 1.8 4.16 243 216 1 36 GLU H 1 38 ASN H 1.0 1.8 4.87 244 217 1 36 GLU HA 1 38 ASN H 1.0 1.8 5.21 245 218 1 36 GLU HA 1 39 VAL HB 1.0 1.8 3.54 246 219 1 36 GLU HA 1 39 VAL H 1.0 1.8 4.56 247 220 1 36 GLU HA 1 40 ARG H 1.0 1.8 4.59 248 221 1 40 ARG H 1 36 GLU HGx 1.0 1.8 5.13 249 221 1 36 GLU HGy 1 40 ARG H 1.0 1.8 5.13 250 222 1 37 LYS H 1 37 LYS HGx 1.0 1.8 3.89 251 223 1 37 LYS H 1 37 LYS HBy 1.0 1.8 3.03 252 223 1 37 LYS HBx 1 37 LYS H 1.0 1.8 3.03 253 224 1 37 LYS HA 1 37 LYS HBy 1.0 1.8 2.89 254 224 1 37 LYS HBx 1 37 LYS HA 1.0 1.8 2.89 255 225 1 37 LYS H 1 37 LYS HDx 1.0 1.8 4.76 256 225 1 37 LYS H 1 37 LYS HDy 1.0 1.8 4.76 257 226 1 37 LYS HGy 1 37 LYS H 1.0 1.8 3.95 258 227 1 37 LYS HGy 1 37 LYS HA 1.0 1.8 3.92 259 228 1 37 LYS HGy 1 37 LYS HEx 1.0 1.8 4.09 260 228 1 37 LYS HGy 1 37 LYS HEy 1.0 1.8 4.09 261 229 1 37 LYS HGx 1 37 LYS HEx 1.0 1.8 4.22 262 229 1 37 LYS HGx 1 37 LYS HEy 1.0 1.8 4.22 263 230 1 38 ASN H 1 37 LYS H 1.0 1.8 3.91 264 231 1 38 ASN H 1 37 LYS HEx 1.0 1.8 5.17 265 231 1 38 ASN H 1 37 LYS HEy 1.0 1.8 5.17 266 232 1 38 ASN H 1 37 LYS HBy 1.0 1.8 3.42 267 232 1 38 ASN H 1 37 LYS HBx 1.0 1.8 3.42 268 233 1 38 ASN H 1 37 LYS HGy 1.0 1.8 5.43 269 234 1 37 LYS HGy 1 38 ASN HBx 1.0 1.8 5.50 270 235 1 38 ASN H 1 37 LYS HGx 1.0 1.8 5.16 271 236 1 38 ASN HA 1 37 LYS HBy 1.0 1.8 5.22 272 236 1 37 LYS HBx 1 38 ASN HA 1.0 1.8 5.22 273 237 1 38 ASN H 1 38 ASN HBy 1.0 1.8 3.20 274 238 1 38 ASN H 1 38 ASN HBx 1.0 1.8 3.24 275 239 1 38 ASN H 1 39 VAL H 1.0 1.8 3.63 276 240 1 39 VAL H 1 38 ASN HBy 1.0 1.8 3.83 277 241 1 39 VAL H 1 38 ASN HBx 1.0 1.8 3.86 278 242 1 38 ASN H 1 39 VAL HGy% 1.0 1.8 5.24 279 243 1 40 ARG H 1 38 ASN HA 1.0 1.8 5.10 280 244 1 38 ASN HA 1 41 ALA H 1.0 1.8 3.82 281 245 1 38 ASN HBy 1 41 ALA HB% 1.0 1.8 5.50 282 246 1 38 ASN H 1 41 ALA HB% 1.0 1.8 5.50 283 247 1 38 ASN HA 1 41 ALA HB% 1.0 1.8 3.39 284 248 1 38 ASN HA 1 42 GLN HE2y 1.0 1.8 5.12 285 249 1 38 ASN HA 1 42 GLN H 1.0 1.8 4.77 286 250 1 39 VAL H 1 39 VAL HB 1.0 1.8 3.10 287 251 1 39 VAL H 1 39 VAL HGy% 1.0 1.8 3.25 288 252 1 39 VAL HGy% 1 39 VAL HA 1.0 1.8 3.02 289 253 1 39 VAL H 1 39 VAL HGx% 1.0 1.8 4.11 290 254 1 39 VAL HGx% 1 39 VAL HA 1.0 1.8 3.14 291 255 1 39 VAL HGy% 1 40 ARG H 1.0 1.8 4.40 292 256 1 39 VAL HGx% 1 40 ARG H 1.0 1.8 4.29 293 257 1 42 GLN H 1 39 VAL HA 1.0 1.8 4.23 294 258 1 39 VAL HA 1 42 GLN HGy 1.0 1.8 5.40 295 259 1 39 VAL HA 1 42 GLN HBy 1.0 1.8 4.73 296 260 1 39 VAL HA 1 42 GLN HBx 1.0 1.8 3.83 297 261 1 39 VAL HA 1 43 LEU HG 1.0 1.8 5.50 298 262 1 40 ARG H 1 40 ARG HBy 1.0 1.8 3.41 299 262 1 40 ARG H 1 40 ARG HBx 1.0 1.8 3.41 300 263 1 40 ARG HA 1 40 ARG HDx 1.0 1.8 3.94 301 263 1 40 ARG HA 1 40 ARG HDy 1.0 1.8 3.94 302 264 1 40 ARG H 1 41 ALA HB% 1.0 1.8 4.77 303 265 1 41 ALA HB% 1 40 ARG HA 1.0 1.8 5.41 304 266 1 43 LEU HBy 1 40 ARG HA 1.0 1.8 3.85 305 267 1 43 LEU HG 1 40 ARG HA 1.0 1.8 3.62 306 268 1 43 LEU HDy% 1 40 ARG HA 1.0 1.8 3.86 307 269 1 40 ARG HA 1 43 LEU H 1.0 1.8 3.87 308 270 1 40 ARG HA 1 43 LEU HBx 1.0 1.8 2.88 309 271 1 41 ALA H 1 41 ALA HB% 1.0 1.8 2.89 310 272 1 41 ALA H 1 42 GLN H 1.0 1.8 3.80 311 273 1 41 ALA HB% 1 42 GLN H 1.0 1.8 3.42 312 274 1 41 ALA HB% 1 42 GLN HGy 1.0 1.8 5.49 313 275 1 41 ALA H 1 43 LEU H 1.0 1.8 4.87 314 276 1 41 ALA H 1 43 LEU HG 1.0 1.8 5.50 315 277 1 41 ALA HB% 1 43 LEU H 1.0 1.8 5.50 316 278 1 41 ALA HB% 1 44 SER HBy 1.0 1.8 5.42 317 278 1 41 ALA HB% 1 44 SER HBx 1.0 1.8 5.42 318 279 1 41 ALA HB% 1 45 THR H 1.0 1.8 5.50 319 280 1 41 ALA HB% 1 45 THR HG2% 1.0 1.8 4.37 320 281 1 42 GLN H 1 42 GLN HGx 1.0 1.8 4.18 321 282 1 42 GLN H 1 42 GLN HGy 1.0 1.8 3.38 322 283 1 42 GLN HE2y 1 42 GLN HGx 1.0 1.8 3.66 323 284 1 42 GLN H 1 42 GLN HBy 1.0 1.8 3.60 324 285 1 42 GLN H 1 42 GLN HBx 1.0 1.8 3.48 325 286 1 42 GLN HGy 1 42 GLN HA 1.0 1.8 3.97 326 287 1 42 GLN HGx 1 42 GLN HA 1.0 1.8 3.98 327 288 1 42 GLN HGy 1 43 LEU H 1.0 1.8 5.23 328 289 1 42 GLN HBy 1 43 LEU H 1.0 1.8 4.07 329 290 1 42 GLN HBx 1 43 LEU H 1.0 1.8 3.96 330 291 1 43 LEU HA 1 42 GLN H 1.0 1.8 5.16 331 292 1 42 GLN HA 1 44 SER H 1.0 1.8 4.46 332 293 1 45 THR HG2% 1 42 GLN HA 1.0 1.8 3.73 333 294 1 42 GLN HE2x 1 64 ALA HB% 1.0 1.8 5.50 334 295 1 42 GLN HBy 1 64 ALA HB% 1.0 1.8 4.39 335 296 1 42 GLN HBx 1 64 ALA HB% 1.0 1.8 5.06 336 297 1 42 GLN HGx 1 64 ALA HB% 1.0 1.8 4.97 337 298 1 42 GLN HE2x 1 65 ILE HA 1.0 1.8 4.99 338 299 1 42 GLN HGx 1 68 GLY H 1.0 1.8 4.27 339 300 1 42 GLN HGy 1 68 GLY H 1.0 1.8 5.17 340 301 1 42 GLN HE2y 1 68 GLY H 1.0 1.8 5.36 341 302 1 42 GLN HGx 1 68 GLY HAy 1.0 1.8 5.18 342 303 1 42 GLN HGy 1 68 GLY HAx 1.0 1.8 4.62 343 304 1 42 GLN HGx 1 68 GLY HAx 1.0 1.8 4.82 344 305 1 42 GLN HBx 1 68 GLY HAx 1.0 1.8 5.50 345 306 1 43 LEU H 1 43 LEU HBx 1.0 1.8 3.71 346 307 1 43 LEU HBy 1 43 LEU H 1.0 1.8 3.65 347 308 1 43 LEU HBy 1 43 LEU HDy% 1.0 1.8 3.79 348 309 1 43 LEU HG 1 43 LEU H 1.0 1.8 3.84 349 310 1 43 LEU HDy% 1 43 LEU H 1.0 1.8 4.01 350 311 1 43 LEU HA 1 43 LEU HDy% 1.0 1.8 4.21 351 312 1 43 LEU HDy% 1 43 LEU HBx 1.0 1.8 3.27 352 313 1 43 LEU H 1 43 LEU HDx% 1.0 1.8 4.11 353 314 1 43 LEU HA 1 43 LEU HDx% 1.0 1.8 3.39 354 315 1 44 SER H 1 43 LEU HDx% 1.0 1.8 4.97 355 316 1 43 LEU HDy% 1 44 SER H 1.0 1.8 4.84 356 317 1 43 LEU HBx 1 44 SER H 1.0 1.8 4.16 357 318 1 43 LEU HBy 1 44 SER H 1.0 1.8 4.53 358 319 1 43 LEU H 1 44 SER HA 1.0 1.8 5.38 359 320 1 43 LEU HBx 1 44 SER HA 1.0 1.8 5.50 360 321 1 43 LEU H 1 45 THR H 1.0 1.8 5.17 361 322 1 43 LEU HDy% 1 46 ILE HG1x 1.0 1.8 3.84 362 323 1 43 LEU HA 1 46 ILE HG1x 1.0 1.8 3.54 363 324 1 43 LEU HA 1 46 ILE HG1y 1.0 1.8 3.55 364 325 1 43 LEU HDy% 1 65 ILE HG1y 1.0 1.8 4.08 365 326 1 44 SER H 1 44 SER HBy 1.0 1.8 2.94 366 326 1 44 SER HBx 1 44 SER H 1.0 1.8 2.94 367 327 1 44 SER HA 1 44 SER HBy 1.0 1.8 2.80 368 327 1 44 SER HBx 1 44 SER HA 1.0 1.8 2.80 369 328 1 45 THR HG2% 1 44 SER H 1.0 1.8 5.50 370 329 1 45 THR H 1 44 SER HBy 1.0 1.8 4.57 371 329 1 44 SER HBx 1 45 THR H 1.0 1.8 4.57 372 330 1 45 THR HG2% 1 45 THR HA 1.0 1.8 3.18 373 331 1 45 THR H 1 45 THR HG2% 1.0 1.8 3.38 374 332 1 45 THR H 1 46 ILE HG1x 1.0 1.8 5.50 375 333 1 46 ILE H 1 46 ILE HB 1.0 1.8 3.24 376 334 1 46 ILE HG1y 1 46 ILE H 1.0 1.8 3.77 377 335 1 46 ILE HG1x 1 46 ILE H 1.0 1.8 3.89 378 336 1 46 ILE HG1x 1 46 ILE HA 1.0 1.8 4.03 379 337 1 46 ILE HG1y 1 46 ILE HA 1.0 1.8 4.09 380 338 1 46 ILE HG1y 1 46 ILE HG2% 1.0 1.8 3.75 381 339 1 46 ILE H 1 46 ILE HG2% 1.0 1.8 4.49 382 340 1 46 ILE HA 1 46 ILE HG2% 1.0 1.8 3.26 383 341 1 46 ILE H 1 46 ILE HD1% 1.0 1.8 4.88 384 342 1 46 ILE HA 1 46 ILE HD1% 1.0 1.8 3.67 385 343 1 46 ILE H 1 47 GLU H 1.0 1.8 5.25 386 344 1 46 ILE HB 1 47 GLU HA 1.0 1.8 5.50 387 345 1 46 ILE HA 1 47 GLU HGx 1.0 1.8 4.36 388 345 1 46 ILE HA 1 47 GLU HGy 1.0 1.8 4.36 389 346 1 46 ILE HG1x 1 47 GLU H 1.0 1.8 5.23 390 347 1 46 ILE HA 1 47 GLU HA 1.0 1.8 4.30 391 348 1 46 ILE HA 1 47 GLU H 1.0 1.8 2.89 392 349 1 46 ILE HG2% 1 47 GLU H 1.0 1.8 3.74 393 350 1 46 ILE HG2% 1 47 GLU HGx 1.0 1.8 5.50 394 350 1 46 ILE HG2% 1 47 GLU HGy 1.0 1.8 5.50 395 351 1 46 ILE HD1% 1 47 GLU H 1.0 1.8 4.81 396 352 1 46 ILE HA 1 48 SER H 1.0 1.8 4.72 397 353 1 46 ILE HG2% 1 48 SER HA 1.0 1.8 5.36 398 354 1 48 SER HBx 1 46 ILE HG2% 1.0 1.8 5.50 399 355 1 46 ILE HG2% 1 57 PHE HE% 1.0 1.8 3.98 400 356 1 46 ILE HG2% 1 57 PHE HZ 1.0 1.8 3.56 401 357 1 46 ILE HB 1 61 VAL HGy% 1.0 1.8 5.50 402 358 1 46 ILE HG1y 1 61 VAL HB 1.0 1.8 5.50 403 359 1 46 ILE HG1y 1 61 VAL HGx% 1.0 1.8 3.72 404 360 1 46 ILE HD1% 1 61 VAL HGx% 1.0 1.8 3.32 405 361 1 46 ILE HG2% 1 61 VAL HGy% 1.0 1.8 3.93 406 362 1 46 ILE HD1% 1 61 VAL HGy% 1.0 1.8 3.77 407 363 1 46 ILE HD1% 1 61 VAL HA 1.0 1.8 3.53 408 364 1 47 GLU H 1 47 GLU HGx 1.0 1.8 3.52 409 364 1 47 GLU H 1 47 GLU HGy 1.0 1.8 3.52 410 365 1 47 GLU HA 1 47 GLU HGx 1.0 1.8 3.39 411 365 1 47 GLU HA 1 47 GLU HGy 1.0 1.8 3.39 412 366 1 47 GLU HBy 1 47 GLU HGx 1.0 1.8 2.72 413 366 1 47 GLU HGy 1 47 GLU HBy 1.0 1.8 2.72 414 367 1 47 GLU H 1 47 GLU HBx 1.0 1.8 3.48 415 368 1 47 GLU HA 1 47 GLU HBy 1.0 1.8 3.02 416 369 1 48 SER H 1 47 GLU HBy 1.0 1.8 4.38 417 370 1 48 SER H 1 47 GLU HGx 1.0 1.8 4.22 418 370 1 47 GLU HGy 1 48 SER H 1.0 1.8 4.22 419 371 1 47 GLU HBy 1 49 ASP H 1.0 1.8 4.74 420 372 1 47 GLU HBx 1 49 ASP H 1.0 1.8 5.50 421 373 1 47 GLU HA 1 49 ASP H 1.0 1.8 3.88 422 374 1 51 VAL HGx% 1 47 GLU HGx 1.0 1.8 4.59 423 374 1 47 GLU HGy 1 51 VAL HGx% 1.0 1.8 4.59 424 375 1 51 VAL HGy% 1 47 GLU HGx 1.0 1.8 5.50 425 375 1 47 GLU HGy 1 51 VAL HGy% 1.0 1.8 5.50 426 376 1 48 SER HBy 1 48 SER H 1.0 1.8 3.68 427 377 1 48 SER HBx 1 48 SER H 1.0 1.8 3.71 428 378 1 48 SER H 1 49 ASP H 1.0 1.8 2.97 429 379 1 48 SER HBx 1 49 ASP H 1.0 1.8 4.47 430 380 1 48 SER H 1 49 ASP HBx 1.0 1.8 4.74 431 380 1 48 SER H 1 49 ASP HBy 1.0 1.8 4.74 432 381 1 48 SER HBy 1 49 ASP H 1.0 1.8 4.97 433 382 1 48 SER HA 1 49 ASP H 1.0 1.8 3.48 434 383 1 48 SER HA 1 51 VAL HGx% 1.0 1.8 3.90 435 384 1 48 SER H 1 51 VAL HGy% 1.0 1.8 4.11 436 385 1 48 SER HA 1 51 VAL HGy% 1.0 1.8 4.13 437 386 1 48 SER HBx 1 57 PHE HZ 1.0 1.8 5.39 438 387 1 48 SER HA 1 57 PHE HZ 1.0 1.8 4.66 439 388 1 48 SER HBy 1 57 PHE HZ 1.0 1.8 5.32 440 389 1 49 ASP H 1 49 ASP HBx 1.0 1.8 3.18 441 389 1 49 ASP H 1 49 ASP HBy 1.0 1.8 3.18 442 390 1 49 ASP H 1 50 GLU H 1.0 1.8 4.52 443 391 1 50 GLU H 1 49 ASP HBx 1.0 1.8 4.01 444 391 1 49 ASP HBy 1 50 GLU H 1.0 1.8 4.01 445 392 1 50 GLU HA 1 49 ASP HBx 1.0 1.8 5.50 446 392 1 49 ASP HBy 1 50 GLU HA 1.0 1.8 5.50 447 393 1 50 GLU H 1 49 ASP HA 1.0 1.8 3.06 448 394 1 51 VAL HGx% 1 49 ASP HBx 1.0 1.8 5.50 449 394 1 51 VAL HGx% 1 49 ASP HBy 1.0 1.8 5.50 450 395 1 49 ASP H 1 51 VAL HGx% 1.0 1.8 5.50 451 396 1 51 VAL HGy% 1 49 ASP HBx 1.0 1.8 5.50 452 396 1 51 VAL HGy% 1 49 ASP HBy 1.0 1.8 5.50 453 397 1 50 GLU H 1 50 GLU HGx 1.0 1.8 3.88 454 397 1 50 GLU H 1 50 GLU HGy 1.0 1.8 3.88 455 398 1 50 GLU HA 1 50 GLU HGx 1.0 1.8 3.61 456 398 1 50 GLU HA 1 50 GLU HGy 1.0 1.8 3.61 457 399 1 50 GLU HBx 1 50 GLU HGx 1.0 1.8 2.86 458 399 1 50 GLU HGy 1 50 GLU HBx 1.0 1.8 2.86 459 400 1 50 GLU H 1 50 GLU HBy 1.0 1.8 3.97 460 401 1 51 VAL HGy% 1 50 GLU H 1.0 1.8 5.29 461 402 1 50 GLU HA 1 51 VAL H 1.0 1.8 2.98 462 403 1 51 VAL H 1 50 GLU HGx 1.0 1.8 5.43 463 403 1 50 GLU HGy 1 51 VAL H 1.0 1.8 5.43 464 404 1 51 VAL HGy% 1 50 GLU HA 1.0 1.8 5.50 465 405 1 51 VAL H 1 51 VAL HB 1.0 1.8 3.92 466 406 1 51 VAL HGx% 1 51 VAL H 1.0 1.8 3.78 467 407 1 51 VAL HGx% 1 51 VAL HA 1.0 1.8 3.35 468 408 1 51 VAL HGy% 1 51 VAL HA 1.0 1.8 3.99 469 409 1 51 VAL HGy% 1 51 VAL H 1.0 1.8 3.44 470 410 1 51 VAL HGx% 1 52 THR H 1.0 1.8 4.42 471 411 1 51 VAL HB 1 52 THR HB 1.0 1.8 5.06 472 412 1 51 VAL HB 1 52 THR H 1.0 1.8 3.44 473 413 1 51 VAL HA 1 52 THR HA 1.0 1.8 5.50 474 414 1 51 VAL HA 1 52 THR H 1.0 1.8 2.95 475 415 1 51 VAL HGy% 1 52 THR HB 1.0 1.8 4.79 476 416 1 51 VAL HGy% 1 53 PRO HA 1.0 1.8 5.50 477 417 1 51 VAL HGy% 1 53 PRO HDx 1.0 1.8 5.21 478 418 1 51 VAL HB 1 57 PHE HD% 1.0 1.8 4.97 479 419 1 57 PHE HE% 1 51 VAL HGx% 1.0 1.8 3.93 480 420 1 57 PHE HE% 1 51 VAL HA 1.0 1.8 5.50 481 421 1 57 PHE HE% 1 51 VAL HGy% 1.0 1.8 4.31 482 422 1 52 THR H 1 52 THR HB 1.0 1.8 3.55 483 423 1 52 THR H 1 52 THR HG2% 1.0 1.8 4.36 484 424 1 52 THR HA 1 52 THR HG2% 1.0 1.8 3.68 485 425 1 52 THR HA 1 53 PRO HDy 1.0 1.8 3.35 486 426 1 52 THR HA 1 53 PRO HDx 1.0 1.8 3.30 487 427 1 52 THR HG2% 1 54 ASP HBy 1.0 1.8 5.43 488 428 1 52 THR HG2% 1 54 ASP HBx 1.0 1.8 3.59 489 429 1 52 THR HG2% 1 56 ARG HGx 1.0 1.8 5.50 490 430 1 52 THR HG2% 1 56 ARG HGy 1.0 1.8 5.09 491 431 1 53 PRO HA 1 54 ASP H 1.0 1.8 3.25 492 432 1 53 PRO HBx 1 57 PHE HBy 1.0 1.8 5.50 493 433 1 57 PHE HBy 1 53 PRO HGx 1.0 1.8 5.50 494 433 1 57 PHE HBy 1 53 PRO HGy 1.0 1.8 5.50 495 434 1 53 PRO HBx 1 57 PHE HBx 1.0 1.8 5.30 496 435 1 57 PHE HD% 1 53 PRO HBy 1.0 1.8 5.50 497 436 1 53 PRO HA 1 57 PHE HBx 1.0 1.8 3.39 498 437 1 57 PHE HE% 1 53 PRO HA 1.0 1.8 4.77 499 438 1 53 PRO HA 1 57 PHE HD% 1.0 1.8 3.49 500 439 1 53 PRO HA 1 57 PHE HBy 1.0 1.8 3.73 501 440 1 57 PHE HD% 1 53 PRO HGx 1.0 1.8 4.89 502 440 1 57 PHE HD% 1 53 PRO HGy 1.0 1.8 4.89 503 441 1 53 PRO HBy 1 83 LEU HDx% 1.0 1.8 3.94 504 442 1 53 PRO HBx 1 83 LEU HDx% 1.0 1.8 4.54 505 443 1 53 PRO HDy 1 83 LEU HDy% 1.0 1.8 5.50 506 444 1 83 LEU HDx% 1 53 PRO HGx 1.0 1.8 3.28 507 444 1 53 PRO HGy 1 83 LEU HDx% 1.0 1.8 3.28 508 445 1 53 PRO HA 1 83 LEU HDy% 1.0 1.8 5.38 509 446 1 54 ASP HBy 1 54 ASP H 1.0 1.8 3.77 510 447 1 54 ASP HBx 1 54 ASP H 1.0 1.8 3.66 511 448 1 54 ASP HBy 1 55 ARG HBy 1.0 1.8 5.21 512 449 1 54 ASP HBx 1 56 ARG H 1.0 1.8 4.83 513 450 1 54 ASP HBy 1 56 ARG HGx 1.0 1.8 5.28 514 451 1 54 ASP HBy 1 56 ARG HGy 1.0 1.8 3.65 515 452 1 56 ARG H 1 54 ASP HA 1.0 1.8 4.91 516 453 1 57 PHE HD% 1 54 ASP H 1.0 1.8 4.46 517 454 1 54 ASP H 1 57 PHE HBy 1.0 1.8 4.08 518 455 1 54 ASP H 1 57 PHE HBx 1.0 1.8 3.84 519 456 1 54 ASP HBx 1 57 PHE H 1.0 1.8 5.50 520 457 1 57 PHE HBx 1 54 ASP HA 1.0 1.8 5.43 521 458 1 55 ARG HA 1 55 ARG HDx 1.0 1.8 3.91 522 458 1 55 ARG HA 1 55 ARG HDy 1.0 1.8 3.91 523 459 1 55 ARG HBx 1 55 ARG HDx 1.0 1.8 3.68 524 459 1 55 ARG HDy 1 55 ARG HBx 1.0 1.8 3.68 525 460 1 55 ARG HBx 1 55 ARG HGx 1.0 1.8 2.61 526 460 1 55 ARG HBx 1 55 ARG HGy 1.0 1.8 2.61 527 461 1 56 ARG H 1 55 ARG HA 1.0 1.8 3.46 528 462 1 55 ARG HA 1 56 ARG HA 1.0 1.8 4.94 529 463 1 55 ARG HA 1 58 ARG H 1.0 1.8 4.65 530 464 1 55 ARG HA 1 58 ARG HDy 1.0 1.8 5.50 531 465 1 55 ARG HA 1 58 ARG HDx 1.0 1.8 4.64 532 466 1 55 ARG HA 1 58 ARG HBy 1.0 1.8 4.43 533 467 1 55 ARG HA 1 58 ARG HBx 1.0 1.8 4.54 534 468 1 55 ARG HA 1 59 ALA HB% 1.0 1.8 5.50 535 469 1 56 ARG HGx 1 56 ARG HDx 1.0 1.8 2.80 536 469 1 56 ARG HGx 1 56 ARG HDy 1.0 1.8 2.80 537 470 1 56 ARG HA 1 56 ARG HDx 1.0 1.8 5.18 538 470 1 56 ARG HA 1 56 ARG HDy 1.0 1.8 5.18 539 471 1 56 ARG H 1 56 ARG HDx 1.0 1.8 4.78 540 471 1 56 ARG H 1 56 ARG HDy 1.0 1.8 4.78 541 472 1 56 ARG HBx 1 56 ARG HDx 1.0 1.8 3.53 542 472 1 56 ARG HBy 1 56 ARG HDx 1.0 1.8 3.53 543 472 1 56 ARG HDy 1 56 ARG HBy 1.0 1.8 3.53 544 472 1 56 ARG HDy 1 56 ARG HBx 1.0 1.8 3.53 545 473 1 56 ARG HGx 1 56 ARG H 1.0 1.8 4.06 546 474 1 56 ARG HA 1 56 ARG HBy 1.0 1.8 2.95 547 474 1 56 ARG HA 1 56 ARG HBx 1.0 1.8 2.95 548 475 1 57 PHE HBy 1 56 ARG HBy 1.0 1.8 5.50 549 475 1 57 PHE HBy 1 56 ARG HBx 1.0 1.8 5.50 550 476 1 56 ARG HA 1 58 ARG HBy 1.0 1.8 5.50 551 477 1 56 ARG HA 1 59 ALA HB% 1.0 1.8 3.62 552 478 1 57 PHE HBy 1 57 PHE H 1.0 1.8 3.59 553 479 1 57 PHE HBx 1 57 PHE H 1.0 1.8 3.56 554 480 1 57 PHE HD% 1 57 PHE H 1.0 1.8 4.38 555 481 1 57 PHE HD% 1 57 PHE HA 1.0 1.8 3.46 556 482 1 57 PHE HD% 1 58 ARG H 1.0 1.8 4.50 557 483 1 57 PHE HBy 1 58 ARG H 1.0 1.8 4.59 558 484 1 57 PHE HBx 1 58 ARG H 1.0 1.8 3.89 559 485 1 57 PHE HD% 1 58 ARG HBx 1.0 1.8 5.50 560 486 1 57 PHE H 1 58 ARG HBy 1.0 1.8 5.42 561 487 1 57 PHE HD% 1 58 ARG HGx 1.0 1.8 5.26 562 488 1 57 PHE HE% 1 58 ARG HA 1.0 1.8 4.83 563 489 1 57 PHE HD% 1 58 ARG HA 1.0 1.8 3.73 564 490 1 57 PHE HD% 1 60 ARG HBy 1.0 1.8 5.34 565 490 1 57 PHE HD% 1 60 ARG HBx 1.0 1.8 5.34 566 491 1 57 PHE HA 1 60 ARG HGx 1.0 1.8 4.52 567 492 1 57 PHE HA 1 60 ARG H 1.0 1.8 4.15 568 493 1 57 PHE HA 1 60 ARG HBy 1.0 1.8 3.49 569 493 1 57 PHE HA 1 60 ARG HBx 1.0 1.8 3.49 570 494 1 57 PHE HE% 1 61 VAL HGy% 1.0 1.8 3.72 571 495 1 61 VAL HGy% 1 57 PHE HA 1.0 1.8 5.49 572 496 1 61 VAL HGy% 1 57 PHE HD% 1.0 1.8 3.77 573 497 1 57 PHE HZ 1 61 VAL HGy% 1.0 1.8 3.63 574 498 1 57 PHE HE% 1 83 LEU HDy% 1.0 1.8 5.50 575 499 1 57 PHE HE% 1 83 LEU HDx% 1.0 1.8 5.50 576 500 1 94 LEU HDx% 1 57 PHE HE% 1.0 1.8 3.09 577 501 1 58 ARG H 1 58 ARG HDx 1.0 1.8 4.99 578 502 1 58 ARG H 1 58 ARG HBx 1.0 1.8 3.95 579 503 1 58 ARG H 1 58 ARG HGx 1.0 1.8 4.14 580 504 1 58 ARG HDy 1 58 ARG HBy 1.0 1.8 4.18 581 505 1 58 ARG HDy 1 58 ARG HBx 1.0 1.8 4.12 582 506 1 58 ARG HDx 1 58 ARG HA 1.0 1.8 4.50 583 507 1 58 ARG HDx 1 58 ARG HBy 1.0 1.8 4.03 584 508 1 58 ARG HDx 1 58 ARG HBx 1.0 1.8 3.80 585 509 1 58 ARG H 1 58 ARG HBy 1.0 1.8 3.81 586 510 1 58 ARG H 1 58 ARG HGy 1.0 1.8 4.20 587 511 1 58 ARG HGx 1 58 ARG HA 1.0 1.8 3.61 588 512 1 58 ARG HBy 1 59 ALA H 1.0 1.8 3.95 589 513 1 58 ARG HBx 1 59 ALA H 1.0 1.8 4.38 590 514 1 58 ARG HGx 1 59 ALA H 1.0 1.8 5.50 591 515 1 58 ARG HA 1 59 ALA H 1.0 1.8 3.61 592 516 1 58 ARG H 1 60 ARG H 1.0 1.8 5.38 593 517 1 58 ARG HA 1 60 ARG H 1.0 1.8 4.55 594 518 1 58 ARG HA 1 61 VAL H 1.0 1.8 4.14 595 519 1 61 VAL HGy% 1 58 ARG HA 1.0 1.8 3.99 596 520 1 61 VAL HB 1 58 ARG HA 1.0 1.8 3.45 597 521 1 58 ARG HA 1 62 ASP H 1.0 1.8 4.46 598 522 1 58 ARG HDy 1 81 PHE HD% 1.0 1.8 4.40 599 523 1 58 ARG HBx 1 81 PHE HD% 1.0 1.8 4.61 600 524 1 58 ARG HGy 1 81 PHE HD% 1.0 1.8 5.50 601 525 1 58 ARG HGx 1 81 PHE HD% 1.0 1.8 4.78 602 526 1 83 LEU HDy% 1 58 ARG HDy 1.0 1.8 4.81 603 527 1 83 LEU HDy% 1 58 ARG HDx 1.0 1.8 4.76 604 528 1 94 LEU HDx% 1 58 ARG HA 1.0 1.8 4.40 605 529 1 59 ALA HB% 1 59 ALA H 1.0 1.8 2.89 606 530 1 60 ARG H 1 59 ALA H 1.0 1.8 4.11 607 531 1 59 ALA HB% 1 60 ARG H 1.0 1.8 3.87 608 532 1 59 ALA HB% 1 62 ASP H 1.0 1.8 5.05 609 533 1 59 ALA HB% 1 62 ASP HBy 1.0 1.8 4.96 610 534 1 62 ASP H 1 59 ALA HA 1.0 1.8 3.38 611 535 1 62 ASP HBy 1 59 ALA HA 1.0 1.8 3.20 612 536 1 59 ALA HA 1 62 ASP HBx 1.0 1.8 3.54 613 537 1 60 ARG H 1 60 ARG HBy 1.0 1.8 3.00 614 537 1 60 ARG HBx 1 60 ARG H 1.0 1.8 3.00 615 538 1 60 ARG HA 1 60 ARG HDy 1.0 1.8 4.30 616 539 1 60 ARG HDy 1 60 ARG HBy 1.0 1.8 3.17 617 539 1 60 ARG HBx 1 60 ARG HDy 1.0 1.8 3.17 618 540 1 60 ARG H 1 60 ARG HGy 1.0 1.8 3.98 619 541 1 60 ARG HA 1 60 ARG HGy 1.0 1.8 3.86 620 542 1 60 ARG HGx 1 60 ARG H 1.0 1.8 4.84 621 543 1 60 ARG HGx 1 60 ARG HA 1.0 1.8 3.58 622 544 1 60 ARG HA 1 60 ARG HBy 1.0 1.8 2.86 623 544 1 60 ARG HBx 1 60 ARG HA 1.0 1.8 2.86 624 545 1 61 VAL HGy% 1 60 ARG H 1.0 1.8 4.81 625 546 1 61 VAL H 1 60 ARG HBy 1.0 1.8 3.64 626 546 1 60 ARG HBx 1 61 VAL H 1.0 1.8 3.64 627 547 1 61 VAL H 1 60 ARG HGy 1.0 1.8 4.87 628 548 1 61 VAL HA 1 60 ARG HA 1.0 1.8 4.75 629 549 1 61 VAL HGy% 1 60 ARG HBy 1.0 1.8 4.10 630 549 1 61 VAL HGy% 1 60 ARG HBx 1.0 1.8 4.10 631 550 1 60 ARG H 1 62 ASP H 1.0 1.8 4.85 632 551 1 60 ARG H 1 63 ASP HBy 1.0 1.8 5.50 633 552 1 60 ARG HA 1 63 ASP HBx 1.0 1.8 3.54 634 553 1 60 ARG HA 1 63 ASP HBy 1.0 1.8 3.55 635 554 1 61 VAL HB 1 61 VAL H 1.0 1.8 3.33 636 555 1 61 VAL HGy% 1 61 VAL H 1.0 1.8 3.21 637 556 1 61 VAL HGy% 1 61 VAL HA 1.0 1.8 3.15 638 557 1 61 VAL HGx% 1 61 VAL H 1.0 1.8 4.08 639 558 1 61 VAL HGx% 1 61 VAL HA 1.0 1.8 3.37 640 559 1 61 VAL HGx% 1 62 ASP H 1.0 1.8 4.66 641 560 1 61 VAL H 1 62 ASP HBx 1.0 1.8 5.00 642 561 1 61 VAL HB 1 62 ASP H 1.0 1.8 3.40 643 562 1 61 VAL HB 1 62 ASP HA 1.0 1.8 5.12 644 563 1 61 VAL HB 1 62 ASP HBx 1.0 1.8 5.27 645 564 1 61 VAL HGy% 1 62 ASP HA 1.0 1.8 5.21 646 565 1 61 VAL HGy% 1 62 ASP H 1.0 1.8 4.28 647 566 1 61 VAL HGx% 1 62 ASP HA 1.0 1.8 4.81 648 567 1 64 ALA HB% 1 61 VAL HA 1.0 1.8 3.60 649 568 1 64 ALA HB% 1 61 VAL HGy% 1.0 1.8 5.50 650 569 1 61 VAL HA 1 64 ALA HA 1.0 1.8 5.50 651 570 1 61 VAL HA 1 65 ILE H 1.0 1.8 5.50 652 571 1 61 VAL HA 1 65 ILE HD1% 1.0 1.8 5.50 653 572 1 61 VAL HB 1 81 PHE HE% 1.0 1.8 4.85 654 573 1 61 VAL HB 1 81 PHE HZ 1.0 1.8 4.17 655 574 1 61 VAL HGx% 1 81 PHE HE% 1.0 1.8 3.47 656 575 1 61 VAL HGx% 1 81 PHE HZ 1.0 1.8 3.87 657 576 1 62 ASP H 1 62 ASP HBy 1.0 1.8 3.18 658 577 1 62 ASP H 1 62 ASP HBx 1.0 1.8 3.42 659 578 1 62 ASP HBy 1 63 ASP H 1.0 1.8 3.46 660 579 1 62 ASP HBx 1 63 ASP H 1.0 1.8 4.02 661 580 1 62 ASP HA 1 65 ILE H 1.0 1.8 4.94 662 581 1 62 ASP HA 1 65 ILE HD1% 1.0 1.8 4.22 663 582 1 62 ASP HA 1 79 ILE HG1x 1.0 1.8 5.50 664 583 1 62 ASP HA 1 79 ILE HG2% 1.0 1.8 4.17 665 584 1 62 ASP HBx 1 79 ILE HG2% 1.0 1.8 4.78 666 585 1 62 ASP HBy 1 79 ILE HG2% 1.0 1.8 5.46 667 586 1 62 ASP HA 1 79 ILE HD1% 1.0 1.8 3.66 668 587 1 62 ASP H 1 81 PHE HE% 1.0 1.8 4.95 669 588 1 62 ASP H 1 81 PHE HZ 1.0 1.8 4.47 670 589 1 62 ASP HBx 1 81 PHE HE% 1.0 1.8 4.59 671 590 1 62 ASP HA 1 81 PHE HE% 1.0 1.8 4.51 672 591 1 62 ASP HA 1 81 PHE HZ 1.0 1.8 3.62 673 592 1 62 ASP HBx 1 81 PHE HZ 1.0 1.8 3.75 674 593 1 63 ASP HBy 1 63 ASP H 1.0 1.8 3.10 675 594 1 63 ASP HBx 1 63 ASP H 1.0 1.8 3.26 676 595 1 63 ASP HBy 1 64 ALA H 1.0 1.8 3.64 677 596 1 63 ASP HBx 1 64 ALA H 1.0 1.8 3.59 678 597 1 63 ASP HBx 1 64 ALA HA 1.0 1.8 5.50 679 598 1 63 ASP HA 1 66 ARG H 1.0 1.8 5.21 680 599 1 63 ASP HA 1 66 ARG HBy 1.0 1.8 3.67 681 600 1 81 PHE HZ 1 63 ASP H 1.0 1.8 5.19 682 601 1 64 ALA HB% 1 64 ALA H 1.0 1.8 3.05 683 602 1 64 ALA HB% 1 65 ILE HA 1.0 1.8 5.27 684 603 1 64 ALA HB% 1 65 ILE H 1.0 1.8 3.66 685 604 1 65 ILE HD1% 1 64 ALA H 1.0 1.8 5.50 686 605 1 64 ALA H 1 66 ARG H 1.0 1.8 4.88 687 606 1 64 ALA HA 1 67 GLU H 1.0 1.8 4.33 688 607 1 64 ALA HB% 1 67 GLU H 1.0 1.8 5.46 689 608 1 64 ALA HA 1 67 GLU HGy 1.0 1.8 4.61 690 609 1 64 ALA HA 1 67 GLU HGx 1.0 1.8 4.60 691 610 1 64 ALA HA 1 67 GLU HBx 1.0 1.8 3.68 692 611 1 65 ILE H 1 65 ILE HG1x 1.0 1.8 4.45 693 612 1 65 ILE H 1 65 ILE HB 1.0 1.8 3.40 694 613 1 65 ILE HG1y 1 65 ILE H 1.0 1.8 3.74 695 614 1 65 ILE HA 1 65 ILE HG1y 1.0 1.8 4.02 696 615 1 65 ILE HA 1 65 ILE HG1x 1.0 1.8 3.03 697 616 1 65 ILE HA 1 65 ILE HG2% 1.0 1.8 3.38 698 617 1 65 ILE H 1 65 ILE HD1% 1.0 1.8 4.07 699 618 1 65 ILE HA 1 65 ILE HD1% 1.0 1.8 4.15 700 619 1 65 ILE HD1% 1 65 ILE HB 1.0 1.8 3.40 701 620 1 66 ARG H 1 65 ILE HB 1.0 1.8 3.20 702 621 1 66 ARG H 1 65 ILE HG2% 1.0 1.8 3.93 703 622 1 65 ILE HB 1 66 ARG HBx 1.0 1.8 4.72 704 623 1 65 ILE HG1x 1 69 LEU HG 1.0 1.8 4.95 705 624 1 65 ILE HG2% 1 69 LEU HBy 1.0 1.8 3.62 706 625 1 65 ILE HG2% 1 69 LEU HG 1.0 1.8 3.82 707 626 1 65 ILE HD1% 1 69 LEU HG 1.0 1.8 5.50 708 627 1 79 ILE HD1% 1 65 ILE HB 1.0 1.8 3.15 709 628 1 79 ILE HG2% 1 65 ILE HB 1.0 1.8 5.50 710 629 1 65 ILE HG2% 1 79 ILE HG1y 1.0 1.8 4.38 711 630 1 79 ILE HG2% 1 65 ILE HG2% 1.0 1.8 4.79 712 631 1 65 ILE HD1% 1 79 ILE HG2% 1.0 1.8 4.02 713 632 1 65 ILE HD1% 1 81 PHE HE% 1.0 1.8 4.65 714 633 1 65 ILE HD1% 1 81 PHE HZ 1.0 1.8 4.70 715 634 1 65 ILE HG1y 1 96 ALA HB% 1.0 1.8 3.99 716 635 1 66 ARG H 1 66 ARG HDx 1.0 1.8 5.09 717 636 1 66 ARG H 1 66 ARG HBx 1.0 1.8 3.78 718 637 1 66 ARG H 1 66 ARG HGx 1.0 1.8 4.32 719 638 1 66 ARG HBx 1 66 ARG HGy 1.0 1.8 2.81 720 639 1 66 ARG HGx 1 66 ARG HA 1.0 1.8 3.71 721 640 1 66 ARG HDx 1 66 ARG HA 1.0 1.8 5.31 722 641 1 66 ARG HA 1 66 ARG HDy 1.0 1.8 5.06 723 642 1 67 GLU H 1 66 ARG HBx 1.0 1.8 4.28 724 643 1 69 LEU HBy 1 66 ARG HGx 1.0 1.8 5.16 725 644 1 66 ARG HA 1 69 LEU HBx 1.0 1.8 5.46 726 645 1 66 ARG HA 1 69 LEU H 1.0 1.8 4.33 727 646 1 69 LEU HBy 1 66 ARG HA 1.0 1.8 3.18 728 647 1 79 ILE HD1% 1 66 ARG HGx 1.0 1.8 4.78 729 648 1 79 ILE HD1% 1 66 ARG HGy 1.0 1.8 4.68 730 649 1 79 ILE HD1% 1 66 ARG HDy 1.0 1.8 5.43 731 650 1 79 ILE HD1% 1 66 ARG HDx 1.0 1.8 4.73 732 651 1 67 GLU H 1 67 GLU HBx 1.0 1.8 3.37 733 652 1 67 GLU H 1 67 GLU HGy 1.0 1.8 3.93 734 653 1 67 GLU HGy 1 67 GLU HA 1.0 1.8 3.92 735 654 1 67 GLU HGx 1 67 GLU HA 1.0 1.8 3.95 736 655 1 67 GLU H 1 67 GLU HGx 1.0 1.8 3.87 737 656 1 67 GLU HGy 1 67 GLU HBy 1.0 1.8 2.97 738 657 1 68 GLY H 1 67 GLU HBy 1.0 1.8 3.91 739 658 1 68 GLY H 1 67 GLU H 1.0 1.8 3.84 740 659 1 68 GLY H 1 67 GLU HGy 1.0 1.8 5.07 741 660 1 68 GLY H 1 67 GLU HGx 1.0 1.8 5.01 742 661 1 68 GLY H 1 67 GLU HBx 1.0 1.8 3.72 743 662 1 67 GLU HA 1 70 LYS HEx 1.0 1.8 4.60 744 662 1 67 GLU HA 1 70 LYS HEy 1.0 1.8 4.60 745 663 1 67 GLU HA 1 70 LYS HBx 1.0 1.8 3.80 746 664 1 67 GLU HA 1 70 LYS HDx 1.0 1.8 3.78 747 664 1 67 GLU HA 1 70 LYS HDy 1.0 1.8 3.78 748 665 1 67 GLU HA 1 70 LYS HGx 1.0 1.8 4.60 749 666 1 67 GLU HA 1 70 LYS H 1.0 1.8 3.86 750 667 1 67 GLU HA 1 71 ALA H 1.0 1.8 4.86 751 668 1 69 LEU HDy% 1 68 GLY HAy 1.0 1.8 5.50 752 669 1 68 GLY HAy 1 71 ALA H 1.0 1.8 5.50 753 670 1 68 GLY HAy 1 71 ALA HB% 1.0 1.8 4.83 754 671 1 68 GLY HAx 1 71 ALA HB% 1.0 1.8 4.62 755 672 1 69 LEU HDy% 1 69 LEU H 1.0 1.8 3.98 756 673 1 69 LEU HBx 1 69 LEU H 1.0 1.8 3.93 757 674 1 69 LEU HG 1 69 LEU H 1.0 1.8 3.83 758 675 1 69 LEU H 1 69 LEU HDx% 1.0 1.8 4.64 759 676 1 69 LEU HA 1 69 LEU HDx% 1.0 1.8 4.23 760 677 1 69 LEU HBx 1 69 LEU HDx% 1.0 1.8 3.07 761 678 1 69 LEU HDy% 1 69 LEU HA 1.0 1.8 3.04 762 679 1 69 LEU HDy% 1 69 LEU HBy 1.0 1.8 3.47 763 680 1 69 LEU HDy% 1 70 LYS H 1.0 1.8 4.49 764 681 1 69 LEU H 1 70 LYS H 1.0 1.8 3.71 765 682 1 69 LEU HBy 1 70 LYS H 1.0 1.8 4.73 766 683 1 69 LEU HBx 1 70 LYS H 1.0 1.8 4.85 767 684 1 70 LYS H 1 69 LEU HDx% 1.0 1.8 5.17 768 685 1 69 LEU H 1 71 ALA H 1.0 1.8 4.78 769 686 1 69 LEU HDy% 1 72 LEU H 1.0 1.8 5.50 770 687 1 69 LEU HA 1 72 LEU HBy 1.0 1.8 5.01 771 688 1 69 LEU HA 1 72 LEU HBx 1.0 1.8 4.87 772 689 1 69 LEU HA 1 72 LEU HG 1.0 1.8 3.54 773 690 1 69 LEU HA 1 72 LEU H 1.0 1.8 3.98 774 691 1 69 LEU HBx 1 74 TYR H 1.0 1.8 5.49 775 692 1 74 TYR HBx 1 69 LEU HBy 1.0 1.8 4.15 776 693 1 69 LEU HBy 1 74 TYR HD% 1.0 1.8 5.50 777 694 1 69 LEU HBx 1 74 TYR HD% 1.0 1.8 5.08 778 695 1 69 LEU HBx 1 74 TYR HBy 1.0 1.8 4.57 779 696 1 74 TYR HBx 1 69 LEU HBx 1.0 1.8 4.04 780 697 1 69 LEU HBy 1 74 TYR HBy 1.0 1.8 4.85 781 698 1 69 LEU HDy% 1 74 TYR HD% 1.0 1.8 3.86 782 699 1 69 LEU HDy% 1 74 TYR HBy 1.0 1.8 5.24 783 700 1 69 LEU HDy% 1 74 TYR HBx 1.0 1.8 4.62 784 701 1 69 LEU HA 1 74 TYR HBx 1.0 1.8 4.43 785 702 1 69 LEU HA 1 74 TYR HD% 1.0 1.8 4.43 786 703 1 69 LEU HBx 1 77 PRO HBx 1.0 1.8 4.18 787 704 1 69 LEU HBx 1 77 PRO HDy 1.0 1.8 5.50 788 705 1 79 ILE HD1% 1 69 LEU HBy 1.0 1.8 3.71 789 706 1 70 LYS H 1 70 LYS HBy 1.0 1.8 3.02 790 707 1 70 LYS HBx 1 70 LYS H 1.0 1.8 3.39 791 708 1 70 LYS HBy 1 70 LYS HDx 1.0 1.8 2.89 792 708 1 70 LYS HDy 1 70 LYS HBy 1.0 1.8 2.89 793 709 1 70 LYS H 1 70 LYS HGy 1.0 1.8 4.55 794 710 1 70 LYS HGy 1 70 LYS HA 1.0 1.8 4.18 795 711 1 70 LYS HGx 1 70 LYS H 1.0 1.8 4.59 796 712 1 70 LYS HA 1 70 LYS HEx 1.0 1.8 5.49 797 712 1 70 LYS HEy 1 70 LYS HA 1.0 1.8 5.49 798 713 1 70 LYS H 1 71 ALA HB% 1.0 1.8 4.10 799 714 1 70 LYS H 1 71 ALA H 1.0 1.8 3.47 800 715 1 71 ALA H 1 70 LYS HBy 1.0 1.8 3.92 801 716 1 70 LYS HGx 1 71 ALA HB% 1.0 1.8 4.18 802 717 1 70 LYS H 1 74 TYR H 1.0 1.8 5.50 803 718 1 74 TYR HBx 1 70 LYS HA 1.0 1.8 5.13 804 719 1 70 LYS HA 1 75 TYR HBx 1.0 1.8 5.50 805 720 1 70 LYS HGy 1 75 TYR HD% 1.0 1.8 5.11 806 721 1 70 LYS HGy 1 75 TYR HBy 1.0 1.8 5.50 807 722 1 70 LYS HGx 1 75 TYR HD% 1.0 1.8 4.61 808 723 1 70 LYS HGx 1 75 TYR HA 1.0 1.8 5.22 809 724 1 75 TYR HA 1 70 LYS HEx 1.0 1.8 3.85 810 724 1 70 LYS HEy 1 75 TYR HA 1.0 1.8 3.85 811 725 1 75 TYR HD% 1 70 LYS HDx 1.0 1.8 4.46 812 725 1 70 LYS HDy 1 75 TYR HD% 1.0 1.8 4.46 813 726 1 75 TYR HE% 1 70 LYS HEx 1.0 1.8 4.00 814 726 1 70 LYS HEy 1 75 TYR HE% 1.0 1.8 4.00 815 727 1 71 ALA H 1 71 ALA HB% 1.0 1.8 2.83 816 728 1 71 ALA H 1 72 LEU HG 1.0 1.8 3.92 817 729 1 71 ALA HB% 1 72 LEU H 1.0 1.8 4.26 818 730 1 72 LEU HDx% 1 71 ALA HB% 1.0 1.8 5.07 819 731 1 71 ALA HA 1 72 LEU HA 1.0 1.8 4.69 820 732 1 72 LEU HG 1 71 ALA HA 1.0 1.8 4.77 821 733 1 72 LEU HDx% 1 71 ALA HA 1.0 1.8 5.50 822 734 1 71 ALA HB% 1 72 LEU HA 1.0 1.8 5.39 823 735 1 71 ALA HB% 1 73 GLY H 1.0 1.8 5.50 824 736 1 72 LEU H 1 72 LEU HG 1.0 1.8 3.72 825 737 1 72 LEU HBy 1 72 LEU H 1.0 1.8 4.02 826 738 1 72 LEU HBy 1 72 LEU HDx% 1.0 1.8 3.72 827 739 1 72 LEU HBx 1 72 LEU H 1.0 1.8 3.96 828 740 1 72 LEU HBx 1 72 LEU HDx% 1.0 1.8 3.84 829 741 1 72 LEU H 1 72 LEU HDy% 1.0 1.8 3.95 830 742 1 72 LEU HG 1 72 LEU HA 1.0 1.8 3.77 831 743 1 72 LEU HBx 1 73 GLY H 1.0 1.8 4.65 832 744 1 72 LEU HG 1 73 GLY H 1.0 1.8 4.34 833 745 1 74 TYR HBx 1 73 GLY H 1.0 1.8 5.25 834 746 1 73 GLY HAy 1 102 VAL HGx% 1.0 1.8 5.50 835 747 1 73 GLY HAy 1 103 LEU HDy% 1.0 1.8 4.97 836 748 1 73 GLY HAy 1 103 LEU HDx% 1.0 1.8 3.52 837 749 1 73 GLY HAx 1 103 LEU HDx% 1.0 1.8 4.13 838 750 1 73 GLY HAy 1 103 LEU HA 1.0 1.8 4.88 839 751 1 73 GLY HAy 1 104 GLU H 1.0 1.8 4.47 840 752 1 73 GLY HAx 1 104 GLU HBx 1.0 1.8 5.01 841 752 1 73 GLY HAx 1 104 GLU HBy 1.0 1.8 5.01 842 753 1 73 GLY HAy 1 104 GLU HBx 1.0 1.8 5.29 843 753 1 73 GLY HAy 1 104 GLU HBy 1.0 1.8 5.29 844 754 1 73 GLY HAx 1 104 GLU H 1.0 1.8 5.13 845 755 1 73 GLY HAy 1 104 GLU HGy 1.0 1.8 5.50 846 755 1 73 GLY HAy 1 104 GLU HGx 1.0 1.8 5.50 847 756 1 74 TYR H 1 74 TYR HD% 1.0 1.8 3.61 848 757 1 74 TYR H 1 74 TYR HBy 1.0 1.8 3.83 849 758 1 74 TYR HBx 1 74 TYR H 1.0 1.8 3.90 850 759 1 74 TYR HD% 1 74 TYR HA 1.0 1.8 3.82 851 760 1 74 TYR HD% 1 75 TYR H 1.0 1.8 5.50 852 761 1 74 TYR H 1 75 TYR H 1.0 1.8 4.74 853 762 1 74 TYR HBy 1 75 TYR H 1.0 1.8 4.96 854 763 1 74 TYR HA 1 75 TYR H 1.0 1.8 3.22 855 764 1 74 TYR HBy 1 77 PRO HGx 1.0 1.8 4.07 856 764 1 74 TYR HBy 1 77 PRO HGy 1.0 1.8 4.07 857 765 1 74 TYR HBx 1 77 PRO HGx 1.0 1.8 4.08 858 765 1 74 TYR HBx 1 77 PRO HGy 1.0 1.8 4.08 859 766 1 74 TYR HBy 1 100 PRO HBy 1.0 1.8 5.50 860 767 1 74 TYR HD% 1 100 PRO HBy 1.0 1.8 3.83 861 768 1 74 TYR HA 1 100 PRO HBy 1.0 1.8 4.79 862 769 1 74 TYR HBx 1 100 PRO HBy 1.0 1.8 5.50 863 770 1 74 TYR HD% 1 100 PRO HGy 1.0 1.8 4.99 864 771 1 74 TYR HE% 1 100 PRO HGx 1.0 1.8 5.09 865 772 1 74 TYR HD% 1 100 PRO HGx 1.0 1.8 3.79 866 773 1 74 TYR HD% 1 100 PRO HBx 1.0 1.8 3.95 867 774 1 74 TYR HE% 1 100 PRO HGy 1.0 1.8 3.30 868 775 1 74 TYR HE% 1 101 GLY H 1.0 1.8 4.79 869 776 1 74 TYR HD% 1 102 VAL H 1.0 1.8 5.38 870 777 1 102 VAL HGx% 1 74 TYR HA 1.0 1.8 5.50 871 778 1 74 TYR HE% 1 103 LEU HBy 1.0 1.8 4.20 872 779 1 74 TYR HE% 1 103 LEU HBx 1.0 1.8 3.97 873 780 1 74 TYR HE% 1 103 LEU HDy% 1.0 1.8 3.94 874 781 1 103 LEU HA 1 74 TYR HA 1.0 1.8 4.93 875 782 1 74 TYR HE% 1 103 LEU HA 1.0 1.8 4.01 876 783 1 74 TYR HD% 1 103 LEU HDx% 1.0 1.8 4.16 877 784 1 74 TYR HD% 1 103 LEU HA 1.0 1.8 4.32 878 785 1 74 TYR HE% 1 103 LEU HDx% 1.0 1.8 3.37 879 786 1 75 TYR HBy 1 75 TYR H 1.0 1.8 3.85 880 787 1 75 TYR HBx 1 75 TYR H 1.0 1.8 3.72 881 788 1 75 TYR HD% 1 75 TYR H 1.0 1.8 3.61 882 789 1 75 TYR HD% 1 75 TYR HA 1.0 1.8 3.70 883 790 1 75 TYR H 1 76 GLN H 1.0 1.8 3.34 884 791 1 75 TYR HBx 1 76 GLN H 1.0 1.8 4.26 885 792 1 75 TYR HBx 1 76 GLN HGx 1.0 1.8 4.62 886 792 1 75 TYR HBx 1 76 GLN HGy 1.0 1.8 4.62 887 793 1 75 TYR HBy 1 76 GLN H 1.0 1.8 4.88 888 794 1 75 TYR H 1 76 GLN HGx 1.0 1.8 5.50 889 794 1 75 TYR H 1 76 GLN HGy 1.0 1.8 5.50 890 795 1 75 TYR HBy 1 76 GLN HGx 1.0 1.8 4.62 891 795 1 75 TYR HBy 1 76 GLN HGy 1.0 1.8 4.62 892 796 1 76 GLN H 1 76 GLN HGx 1.0 1.8 4.52 893 796 1 76 GLN H 1 76 GLN HGy 1.0 1.8 4.52 894 797 1 76 GLN HA 1 76 GLN HGx 1.0 1.8 3.63 895 797 1 76 GLN HGy 1 76 GLN HA 1.0 1.8 3.63 896 798 1 76 GLN H 1 76 GLN HBx 1.0 1.8 3.83 897 799 1 76 GLN HA 1 76 GLN HBy 1.0 1.8 3.04 898 800 1 77 PRO HBx 1 78 THR H 1.0 1.8 4.00 899 801 1 78 THR H 1 77 PRO HA 1.0 1.8 3.21 900 802 1 78 THR H 1 77 PRO HBy 1.0 1.8 4.17 901 803 1 77 PRO HBx 1 78 THR HA 1.0 1.8 5.50 902 804 1 77 PRO HBx 1 98 VAL HGy% 1.0 1.8 3.96 903 805 1 77 PRO HBy 1 98 VAL HGy% 1.0 1.8 4.13 904 806 1 77 PRO HDy 1 98 VAL HGy% 1.0 1.8 5.50 905 807 1 77 PRO HBx 1 99 THR H 1.0 1.8 5.50 906 808 1 77 PRO HBx 1 100 PRO HA 1.0 1.8 4.60 907 809 1 100 PRO HBy 1 77 PRO HA 1.0 1.8 4.55 908 810 1 100 PRO HBy 1 77 PRO HGx 1.0 1.8 3.43 909 810 1 77 PRO HGy 1 100 PRO HBy 1.0 1.8 3.43 910 811 1 77 PRO HDy 1 100 PRO HBx 1.0 1.8 4.35 911 812 1 100 PRO HBx 1 77 PRO HGx 1.0 1.8 3.14 912 812 1 77 PRO HGy 1 100 PRO HBx 1.0 1.8 3.14 913 813 1 100 PRO HGy 1 77 PRO HGx 1.0 1.8 3.45 914 813 1 77 PRO HGy 1 100 PRO HGy 1.0 1.8 3.45 915 814 1 100 PRO HGx 1 77 PRO HGx 1.0 1.8 3.22 916 814 1 77 PRO HGy 1 100 PRO HGx 1.0 1.8 3.22 917 815 1 100 PRO HA 1 77 PRO HGx 1.0 1.8 3.75 918 815 1 77 PRO HGy 1 100 PRO HA 1.0 1.8 3.75 919 816 1 77 PRO HBy 1 100 PRO HA 1.0 1.8 3.41 920 817 1 78 THR H 1 78 THR HB 1.0 1.8 3.62 921 818 1 78 THR HA 1 78 THR HG2% 1.0 1.8 3.60 922 819 1 78 THR HG2% 1 79 ILE H 1.0 1.8 3.97 923 820 1 78 THR HB 1 79 ILE H 1.0 1.8 5.09 924 821 1 78 THR HA 1 79 ILE H 1.0 1.8 2.66 925 822 1 79 ILE HD1% 1 78 THR H 1.0 1.8 4.73 926 823 1 78 THR H 1 98 VAL HGy% 1.0 1.8 4.91 927 824 1 78 THR H 1 99 THR HB 1.0 1.8 4.66 928 825 1 78 THR H 1 99 THR HG2% 1.0 1.8 4.60 929 826 1 78 THR H 1 100 PRO HA 1.0 1.8 4.62 930 827 1 79 ILE H 1 79 ILE HB 1.0 1.8 3.43 931 828 1 79 ILE HG1y 1 79 ILE H 1.0 1.8 4.04 932 829 1 79 ILE HG1y 1 79 ILE HA 1.0 1.8 3.73 933 830 1 79 ILE HG2% 1 79 ILE HG1y 1.0 1.8 4.06 934 831 1 79 ILE HG1x 1 79 ILE H 1.0 1.8 4.16 935 832 1 79 ILE HG1x 1 79 ILE HA 1.0 1.8 3.59 936 833 1 79 ILE HG2% 1 79 ILE H 1.0 1.8 4.94 937 834 1 79 ILE HG2% 1 79 ILE HA 1.0 1.8 3.35 938 835 1 79 ILE HG1x 1 79 ILE HG2% 1.0 1.8 2.98 939 836 1 79 ILE HD1% 1 79 ILE H 1.0 1.8 3.69 940 837 1 79 ILE HD1% 1 79 ILE HB 1.0 1.8 3.32 941 838 1 79 ILE HG2% 1 79 ILE HD1% 1.0 1.8 3.28 942 839 1 79 ILE HB 1 80 GLU H 1.0 1.8 4.37 943 840 1 79 ILE HG1y 1 80 GLU H 1.0 1.8 4.61 944 841 1 79 ILE HA 1 80 GLU HBx 1.0 1.8 4.71 945 842 1 79 ILE HA 1 80 GLU H 1.0 1.8 2.80 946 843 1 79 ILE HG2% 1 80 GLU H 1.0 1.8 3.64 947 844 1 81 PHE HE% 1 79 ILE HB 1.0 1.8 5.07 948 845 1 81 PHE HE% 1 79 ILE HG2% 1.0 1.8 3.87 949 846 1 79 ILE HG2% 1 81 PHE HA 1.0 1.8 5.50 950 847 1 81 PHE HE% 1 79 ILE HD1% 1.0 1.8 5.50 951 848 1 81 PHE HZ 1 79 ILE HG2% 1.0 1.8 4.04 952 849 1 79 ILE HG2% 1 96 ALA HB% 1.0 1.8 3.87 953 850 1 79 ILE HG2% 1 97 LYS H 1.0 1.8 4.43 954 851 1 79 ILE HD1% 1 98 VAL HGy% 1.0 1.8 2.96 955 852 1 79 ILE HG2% 1 98 VAL HGx% 1.0 1.8 4.03 956 853 1 79 ILE HG1y 1 98 VAL HGx% 1.0 1.8 4.48 957 854 1 79 ILE HG2% 1 98 VAL HGy% 1.0 1.8 4.27 958 855 1 79 ILE HG1y 1 99 THR H 1.0 1.8 5.50 959 856 1 80 GLU HA 1 80 GLU HGx 1.0 1.8 3.54 960 856 1 80 GLU HA 1 80 GLU HGy 1.0 1.8 3.54 961 857 1 80 GLU HBx 1 80 GLU HGx 1.0 1.8 3.03 962 857 1 80 GLU HBx 1 80 GLU HGy 1.0 1.8 3.03 963 858 1 80 GLU H 1 80 GLU HGx 1.0 1.8 3.96 964 858 1 80 GLU H 1 80 GLU HGy 1.0 1.8 3.96 965 859 1 80 GLU H 1 80 GLU HBy 1.0 1.8 3.89 966 860 1 80 GLU H 1 80 GLU HBx 1.0 1.8 3.64 967 861 1 81 PHE H 1 80 GLU HGx 1.0 1.8 4.16 968 861 1 80 GLU HGy 1 81 PHE H 1.0 1.8 4.16 969 862 1 80 GLU HBy 1 81 PHE H 1.0 1.8 3.93 970 863 1 80 GLU HBx 1 81 PHE H 1.0 1.8 3.96 971 864 1 81 PHE HA 1 80 GLU HA 1.0 1.8 4.68 972 865 1 80 GLU HA 1 81 PHE H 1.0 1.8 2.77 973 866 1 81 PHE HD% 1 80 GLU HBy 1.0 1.8 5.01 974 867 1 80 GLU H 1 96 ALA HA 1.0 1.8 4.78 975 868 1 80 GLU HBy 1 97 LYS HEx 1.0 1.8 5.50 976 868 1 80 GLU HBy 1 97 LYS HEy 1.0 1.8 5.50 977 869 1 80 GLU HGx 1 97 LYS HEx 1.0 1.8 5.27 978 869 1 80 GLU HGy 1 97 LYS HEx 1.0 1.8 5.27 979 869 1 97 LYS HEy 1 80 GLU HGx 1.0 1.8 5.27 980 869 1 80 GLU HGy 1 97 LYS HEy 1.0 1.8 5.27 981 870 1 81 PHE H 1 81 PHE HBx 1.0 1.8 3.72 982 871 1 81 PHE HD% 1 81 PHE HA 1.0 1.8 3.67 983 872 1 81 PHE HD% 1 81 PHE H 1.0 1.8 3.82 984 873 1 81 PHE HD% 1 82 ASP H 1.0 1.8 4.47 985 874 1 81 PHE HA 1 82 ASP HBy 1.0 1.8 5.27 986 875 1 81 PHE HA 1 82 ASP HBx 1.0 1.8 5.50 987 876 1 82 ASP H 1 81 PHE HBy 1.0 1.8 4.43 988 877 1 81 PHE HBx 1 82 ASP H 1.0 1.8 4.44 989 878 1 81 PHE HA 1 82 ASP H 1.0 1.8 2.83 990 879 1 81 PHE HA 1 82 ASP HA 1.0 1.8 4.63 991 880 1 81 PHE HA 1 83 LEU H 1.0 1.8 5.50 992 881 1 81 PHE H 1 94 LEU HDy% 1.0 1.8 5.41 993 882 1 81 PHE HBy 1 94 LEU HDy% 1.0 1.8 4.27 994 883 1 94 LEU HDx% 1 81 PHE HD% 1.0 1.8 3.26 995 884 1 94 LEU HDx% 1 81 PHE HBx 1.0 1.8 5.01 996 885 1 81 PHE HD% 1 94 LEU HDy% 1.0 1.8 3.44 997 886 1 81 PHE HA 1 94 LEU HDy% 1.0 1.8 3.95 998 887 1 81 PHE HBx 1 94 LEU HDy% 1.0 1.8 3.18 999 888 1 81 PHE HD% 1 95 ILE H 1.0 1.8 5.50 1000 889 1 81 PHE HA 1 95 ILE H 1.0 1.8 5.21 1001 890 1 81 PHE HA 1 95 ILE HB 1.0 1.8 5.12 1002 891 1 95 ILE HG2% 1 81 PHE HA 1.0 1.8 5.50 1003 892 1 81 PHE HD% 1 96 ALA H 1.0 1.8 5.50 1004 893 1 96 ALA HA 1 81 PHE HBy 1.0 1.8 4.64 1005 894 1 81 PHE HZ 1 96 ALA HB% 1.0 1.8 5.25 1006 895 1 81 PHE HA 1 96 ALA HA 1.0 1.8 3.43 1007 896 1 96 ALA HB% 1 81 PHE HA 1.0 1.8 4.53 1008 897 1 81 PHE HD% 1 96 ALA HA 1.0 1.8 4.20 1009 898 1 81 PHE HD% 1 96 ALA HB% 1.0 1.8 2.94 1010 899 1 81 PHE HE% 1 96 ALA HB% 1.0 1.8 3.02 1011 900 1 81 PHE HD% 1 97 LYS H 1.0 1.8 4.87 1012 901 1 81 PHE HA 1 97 LYS H 1.0 1.8 4.16 1013 902 1 82 ASP H 1 82 ASP HBy 1.0 1.8 3.95 1014 903 1 82 ASP H 1 82 ASP HBx 1.0 1.8 3.94 1015 904 1 82 ASP HA 1 83 LEU H 1.0 1.8 2.99 1016 905 1 82 ASP H 1 83 LEU H 1.0 1.8 5.05 1017 906 1 82 ASP HBy 1 83 LEU H 1.0 1.8 5.02 1018 907 1 82 ASP HBx 1 83 LEU H 1.0 1.8 4.52 1019 908 1 82 ASP H 1 94 LEU HDy% 1.0 1.8 4.56 1020 909 1 82 ASP HBy 1 95 ILE H 1.0 1.8 4.83 1021 910 1 82 ASP HBx 1 95 ILE H 1.0 1.8 5.50 1022 911 1 82 ASP HBx 1 95 ILE HB 1.0 1.8 3.59 1023 912 1 82 ASP H 1 95 ILE HB 1.0 1.8 4.04 1024 913 1 82 ASP HBy 1 95 ILE HB 1.0 1.8 3.29 1025 914 1 95 ILE HG2% 1 82 ASP H 1.0 1.8 4.06 1026 915 1 95 ILE HG2% 1 82 ASP HBy 1.0 1.8 3.89 1027 916 1 95 ILE HG2% 1 82 ASP HBx 1.0 1.8 5.23 1028 917 1 82 ASP HBy 1 95 ILE HD1% 1.0 1.8 4.04 1029 918 1 82 ASP HBx 1 95 ILE HD1% 1.0 1.8 4.76 1030 919 1 83 LEU HDy% 1 83 LEU H 1.0 1.8 3.95 1031 920 1 83 LEU H 1 83 LEU HBy 1.0 1.8 3.37 1032 921 1 83 LEU H 1 83 LEU HBx 1.0 1.8 3.71 1033 922 1 83 LEU HDy% 1 83 LEU HA 1.0 1.8 4.08 1034 923 1 83 LEU HDy% 1 83 LEU HBy 1.0 1.8 3.17 1035 924 1 83 LEU HDy% 1 83 LEU HBx 1.0 1.8 3.35 1036 925 1 83 LEU HA 1 84 ARG H 1.0 1.8 3.16 1037 926 1 83 LEU HDx% 1 84 ARG H 1.0 1.8 3.47 1038 927 1 83 LEU HA 1 84 ARG HGx 1.0 1.8 5.50 1039 927 1 83 LEU HA 1 84 ARG HGy 1.0 1.8 5.50 1040 928 1 83 LEU HDx% 1 84 ARG HGx 1.0 1.8 4.98 1041 928 1 83 LEU HDx% 1 84 ARG HGy 1.0 1.8 4.98 1042 929 1 84 ARG H 1 83 LEU HG 1.0 1.8 4.77 1043 930 1 83 LEU HA 1 84 ARG HDy 1.0 1.8 4.99 1044 931 1 83 LEU HDx% 1 85 PRO HBx 1.0 1.8 5.50 1045 932 1 83 LEU HDx% 1 85 PRO HDy 1.0 1.8 5.50 1046 933 1 83 LEU HDx% 1 92 GLN HGy 1.0 1.8 4.66 1047 934 1 83 LEU HG 1 92 GLN HE2x 1.0 1.8 4.44 1048 935 1 83 LEU HG 1 92 GLN HE2y 1.0 1.8 4.15 1049 936 1 83 LEU HDy% 1 92 GLN HE2y 1.0 1.8 4.29 1050 937 1 83 LEU HDy% 1 92 GLN HE2x 1.0 1.8 3.90 1051 938 1 83 LEU HDx% 1 92 GLN HE2y 1.0 1.8 4.12 1052 939 1 83 LEU HDx% 1 92 GLN HE2x 1.0 1.8 4.27 1053 940 1 94 LEU H 1 83 LEU HDx% 1.0 1.8 3.91 1054 941 1 94 LEU HBy 1 83 LEU HDx% 1.0 1.8 3.37 1055 942 1 84 ARG H 1 84 ARG HDy 1.0 1.8 4.30 1056 943 1 84 ARG HDy 1 84 ARG HBx 1.0 1.8 3.96 1057 944 1 84 ARG HBx 1 84 ARG HDx 1.0 1.8 3.49 1058 945 1 84 ARG H 1 84 ARG HDx 1.0 1.8 4.78 1059 946 1 84 ARG H 1 84 ARG HBx 1.0 1.8 3.77 1060 947 1 84 ARG H 1 84 ARG HGx 1.0 1.8 3.87 1061 947 1 84 ARG H 1 84 ARG HGy 1.0 1.8 3.87 1062 948 1 84 ARG H 1 84 ARG HBy 1.0 1.8 4.11 1063 949 1 84 ARG HDx 1 84 ARG HA 1.0 1.8 3.41 1064 950 1 84 ARG H 1 86 PRO HDy 1.0 1.8 5.24 1065 951 1 86 PRO HDy 1 84 ARG HGx 1.0 1.8 5.50 1066 951 1 84 ARG HGy 1 86 PRO HDy 1.0 1.8 5.50 1067 952 1 84 ARG HA 1 86 PRO HDy 1.0 1.8 3.13 1068 953 1 84 ARG H 1 86 PRO HDx 1.0 1.8 5.28 1069 954 1 84 ARG HA 1 86 PRO HDx 1.0 1.8 3.40 1070 955 1 86 PRO HDx 1 84 ARG HGx 1.0 1.8 4.18 1071 955 1 84 ARG HGy 1 86 PRO HDx 1.0 1.8 4.18 1072 956 1 84 ARG HBy 1 86 PRO HDx 1.0 1.8 3.62 1073 957 1 93 VAL H 1 84 ARG HGx 1.0 1.8 4.75 1074 957 1 84 ARG HGy 1 93 VAL H 1.0 1.8 4.75 1075 958 1 84 ARG HDy 1 93 VAL HGy% 1.0 1.8 4.08 1076 959 1 93 VAL HB 1 84 ARG HGx 1.0 1.8 3.67 1077 959 1 84 ARG HGy 1 93 VAL HB 1.0 1.8 3.67 1078 960 1 84 ARG HDy 1 93 VAL HB 1.0 1.8 5.02 1079 961 1 95 ILE HD1% 1 84 ARG HDx 1.0 1.8 4.07 1080 962 1 95 ILE HD1% 1 84 ARG HDy 1.0 1.8 3.71 1081 963 1 85 PRO HBx 1 92 GLN HGy 1.0 1.8 4.26 1082 964 1 92 GLN HE2x 1 85 PRO HGx 1.0 1.8 4.57 1083 965 1 92 GLN HE2x 1 85 PRO HGy 1.0 1.8 5.15 1084 966 1 92 GLN HE2y 1 85 PRO HGy 1.0 1.8 5.50 1085 967 1 92 GLN HE2y 1 85 PRO HGx 1.0 1.8 5.50 1086 968 1 92 GLN HE2y 1 85 PRO HA 1.0 1.8 3.98 1087 969 1 85 PRO HDy 1 92 GLN HE2y 1.0 1.8 4.51 1088 970 1 85 PRO HDy 1 92 GLN HE2x 1.0 1.8 4.45 1089 971 1 92 GLN HE2x 1 85 PRO HDx 1.0 1.8 4.86 1090 972 1 87 PRO HA 1 88 LYS H 1.0 1.8 3.44 1091 973 1 87 PRO HBy 1 89 LYS H 1.0 1.8 4.13 1092 974 1 89 LYS H 1 87 PRO HBx 1.0 1.8 3.87 1093 975 1 89 LYS H 1 87 PRO HGx 1.0 1.8 5.08 1094 976 1 87 PRO HBx 1 89 LYS HA 1.0 1.8 5.50 1095 977 1 87 PRO HGx 1 90 GLY HAy 1.0 1.8 5.50 1096 978 1 87 PRO HGx 1 90 GLY HAx 1.0 1.8 5.50 1097 979 1 87 PRO HGy 1 92 GLN HA 1.0 1.8 4.56 1098 980 1 87 PRO HGx 1 92 GLN HA 1.0 1.8 4.49 1099 981 1 92 GLN H 1 87 PRO HDx 1.0 1.8 5.50 1100 982 1 92 GLN HA 1 87 PRO HDy 1.0 1.8 3.23 1101 983 1 92 GLN HA 1 87 PRO HDx 1.0 1.8 3.11 1102 984 1 87 PRO HDy 1 93 VAL HGx% 1.0 1.8 5.50 1103 985 1 93 VAL H 1 87 PRO HDy 1.0 1.8 4.70 1104 986 1 93 VAL H 1 87 PRO HDx 1.0 1.8 5.50 1105 987 1 88 LYS H 1 88 LYS HBx 1.0 1.8 3.32 1106 987 1 88 LYS H 1 88 LYS HBy 1.0 1.8 3.32 1107 988 1 88 LYS HBx 1 88 LYS HEx 1.0 1.8 4.79 1108 988 1 88 LYS HBy 1 88 LYS HEx 1.0 1.8 4.79 1109 988 1 88 LYS HEy 1 88 LYS HBx 1.0 1.8 4.79 1110 988 1 88 LYS HBy 1 88 LYS HEy 1.0 1.8 4.79 1111 989 1 88 LYS HA 1 88 LYS HDx 1.0 1.8 3.99 1112 989 1 88 LYS HA 1 88 LYS HDy 1.0 1.8 3.99 1113 990 1 88 LYS H 1 88 LYS HGx 1.0 1.8 4.88 1114 991 1 88 LYS HGx 1 88 LYS HDx 1.0 1.8 3.01 1115 991 1 88 LYS HDy 1 88 LYS HGx 1.0 1.8 3.01 1116 992 1 88 LYS H 1 88 LYS HGy 1.0 1.8 4.92 1117 993 1 88 LYS HA 1 88 LYS HEx 1.0 1.8 5.37 1118 993 1 88 LYS HEy 1 88 LYS HA 1.0 1.8 5.37 1119 994 1 88 LYS HA 1 88 LYS HBx 1.0 1.8 2.82 1120 994 1 88 LYS HBy 1 88 LYS HA 1.0 1.8 2.82 1121 995 1 88 LYS HA 1 88 LYS HGx 1.0 1.8 3.93 1122 996 1 89 LYS HBy 1 88 LYS HDx 1.0 1.8 2.40 1123 996 1 88 LYS HDy 1 89 LYS HBy 1.0 1.8 2.40 1124 997 1 89 LYS HBx 1 88 LYS HDx 1.0 1.8 2.40 1125 997 1 88 LYS HDy 1 89 LYS HBx 1.0 1.8 2.40 1126 998 1 89 LYS HA 1 88 LYS HBx 1.0 1.8 5.50 1127 998 1 89 LYS HA 1 88 LYS HBy 1.0 1.8 5.50 1128 999 1 89 LYS HDx 1 89 LYS HEx 1.0 1.8 2.80 1129 999 1 89 LYS HDy 1 89 LYS HEx 1.0 1.8 2.80 1130 999 1 89 LYS HEy 1 89 LYS HDx 1.0 1.8 2.80 1131 999 1 89 LYS HDy 1 89 LYS HEy 1.0 1.8 2.80 1132 1000 1 89 LYS HA 1 89 LYS HEx 1.0 1.8 5.44 1133 1000 1 89 LYS HA 1 89 LYS HEy 1.0 1.8 5.44 1134 1001 1 89 LYS H 1 89 LYS HBx 1.0 1.8 4.03 1135 1002 1 89 LYS H 1 89 LYS HBy 1.0 1.8 4.03 1136 1003 1 89 LYS HEx 1 89 LYS HGx 1.0 1.8 4.02 1137 1003 1 89 LYS HEy 1 89 LYS HGx 1.0 1.8 4.02 1138 1003 1 89 LYS HGy 1 89 LYS HEx 1.0 1.8 4.02 1139 1003 1 89 LYS HEy 1 89 LYS HGy 1.0 1.8 4.02 1140 1004 1 89 LYS H 1 89 LYS HGx 1.0 1.8 4.63 1141 1004 1 89 LYS H 1 89 LYS HGy 1.0 1.8 4.63 1142 1005 1 89 LYS HA 1 89 LYS HGx 1.0 1.8 3.82 1143 1005 1 89 LYS HA 1 89 LYS HGy 1.0 1.8 3.82 1144 1006 1 90 GLY H 1 89 LYS HGx 1.0 1.8 5.33 1145 1006 1 89 LYS HGy 1 90 GLY H 1.0 1.8 5.33 1146 1007 1 90 GLY HAy 1 89 LYS HBy 1.0 1.8 4.95 1147 1008 1 89 LYS HBy 1 90 GLY H 1.0 1.8 4.71 1148 1009 1 90 GLY HAx 1 89 LYS HGx 1.0 1.8 5.50 1149 1009 1 90 GLY HAx 1 89 LYS HGy 1.0 1.8 5.50 1150 1010 1 89 LYS HA 1 90 GLY H 1.0 2.1 3.34 1151 1011 1 89 LYS HA 1 90 GLY HAx 1.0 1.8 4.65 1152 1012 1 91 ARG H 1 90 GLY HAy 1.0 1.8 3.19 1153 1013 1 91 ARG H 1 90 GLY HAx 1.0 1.8 3.32 1154 1014 1 91 ARG H 1 91 ARG HBx 1.0 1.8 3.36 1155 1015 1 91 ARG H 1 91 ARG HDx 1.0 1.8 4.33 1156 1015 1 91 ARG H 1 91 ARG HDy 1.0 1.8 4.33 1157 1016 1 91 ARG HBy 1 91 ARG HDx 1.0 1.8 3.31 1158 1016 1 91 ARG HBx 1 91 ARG HDx 1.0 1.8 3.31 1159 1016 1 91 ARG HDy 1 91 ARG HBy 1.0 1.8 3.31 1160 1016 1 91 ARG HDy 1 91 ARG HBx 1.0 1.8 3.31 1161 1017 1 91 ARG H 1 91 ARG HBy 1.0 1.8 3.98 1162 1017 1 91 ARG H 1 91 ARG HBx 1.0 1.8 3.98 1163 1018 1 91 ARG H 1 91 ARG HGy 1.0 1.8 4.10 1164 1019 1 91 ARG H 1 91 ARG HGx 1.0 1.8 4.44 1165 1020 1 91 ARG HA 1 91 ARG HGx 1.0 1.8 3.97 1166 1021 1 91 ARG HA 1 91 ARG HGy 1.0 1.8 3.72 1167 1022 1 91 ARG HA 1 91 ARG HDx 1.0 1.8 4.11 1168 1022 1 91 ARG HA 1 91 ARG HDy 1.0 1.8 4.11 1169 1023 1 92 GLN HGy 1 92 GLN HA 1.0 1.8 3.87 1170 1024 1 92 GLN HA 1 92 GLN HGx 1.0 1.8 4.01 1171 1025 1 92 GLN H 1 92 GLN HBx 1.0 1.8 3.96 1172 1026 1 92 GLN HGy 1 93 VAL H 1.0 1.8 4.53 1173 1027 1 93 VAL H 1 92 GLN HBy 1.0 1.8 5.46 1174 1028 1 92 GLN HBx 1 93 VAL H 1.0 1.8 5.50 1175 1029 1 93 VAL H 1 92 GLN HA 1.0 1.8 3.06 1176 1030 1 92 GLN HA 1 93 VAL HGx% 1.0 1.8 5.13 1177 1031 1 93 VAL H 1 93 VAL HB 1.0 2.0 3.46 1178 1032 1 93 VAL H 1 93 VAL HGx% 1.0 1.8 3.43 1179 1033 1 93 VAL HA 1 93 VAL HGy% 1.0 1.8 3.51 1180 1034 1 93 VAL HA 1 94 LEU H 1.0 1.8 3.13 1181 1035 1 93 VAL HA 1 94 LEU HBy 1.0 1.8 5.50 1182 1036 1 94 LEU H 1 93 VAL HB 1.0 1.8 5.36 1183 1037 1 94 LEU H 1 93 VAL HGy% 1.0 1.8 3.91 1184 1038 1 94 LEU H 1 94 LEU HBy 1.0 1.8 3.93 1185 1039 1 94 LEU HDx% 1 94 LEU HA 1.0 1.8 4.68 1186 1040 1 94 LEU H 1 94 LEU HDx% 1.0 1.8 4.76 1187 1041 1 94 LEU HBy 1 94 LEU HDx% 1.0 1.8 3.29 1188 1042 1 94 LEU HBy 1 94 LEU HDy% 1.0 1.8 3.56 1189 1043 1 95 ILE H 1 94 LEU HBx 1.0 1.8 5.31 1190 1044 1 95 ILE H 1 94 LEU HG 1.0 1.8 4.73 1191 1045 1 94 LEU HDx% 1 95 ILE HA 1.0 1.8 4.63 1192 1046 1 94 LEU HDy% 1 95 ILE H 1.0 1.8 3.57 1193 1047 1 95 ILE H 1 94 LEU HA 1.0 1.8 3.16 1194 1048 1 95 ILE H 1 95 ILE HB 1.0 1.8 3.40 1195 1049 1 95 ILE H 1 95 ILE HG1y 1.0 1.8 3.86 1196 1050 1 95 ILE HA 1 95 ILE HG1y 1.0 1.8 4.17 1197 1051 1 95 ILE H 1 95 ILE HG1x 1.0 1.8 4.18 1198 1052 1 95 ILE HA 1 95 ILE HG1x 1.0 1.8 4.14 1199 1053 1 95 ILE HG2% 1 95 ILE HA 1.0 1.8 3.36 1200 1054 1 95 ILE H 1 95 ILE HD1% 1.0 1.8 4.42 1201 1055 1 95 ILE HD1% 1 95 ILE HA 1.0 1.8 3.84 1202 1056 1 95 ILE HG2% 1 96 ALA H 1.0 1.8 3.43 1203 1057 1 97 LYS HGy 1 95 ILE HB 1.0 1.8 5.50 1204 1058 1 95 ILE HG2% 1 97 LYS HDx 1.0 1.8 4.99 1205 1058 1 95 ILE HG2% 1 97 LYS HDy 1.0 1.8 4.99 1206 1059 1 95 ILE HG2% 1 97 LYS HGy 1.0 1.8 3.60 1207 1060 1 96 ALA HB% 1 96 ALA H 1.0 1.8 3.26 1208 1061 1 96 ALA HB% 1 97 LYS H 1.0 1.8 3.79 1209 1062 1 97 LYS H 1 96 ALA HA 1.0 1.8 2.80 1210 1063 1 97 LYS H 1 97 LYS HBx 1.0 1.8 3.50 1211 1064 1 97 LYS HBx 1 97 LYS HEx 1.0 1.8 4.99 1212 1064 1 97 LYS HEy 1 97 LYS HBx 1.0 1.8 4.99 1213 1065 1 97 LYS HA 1 97 LYS HDx 1.0 1.8 5.33 1214 1065 1 97 LYS HA 1 97 LYS HDy 1.0 1.8 5.33 1215 1066 1 97 LYS H 1 97 LYS HDx 1.0 1.8 5.50 1216 1066 1 97 LYS H 1 97 LYS HDy 1.0 1.8 5.50 1217 1067 1 97 LYS HGy 1 97 LYS HEx 1.0 1.8 3.85 1218 1067 1 97 LYS HGy 1 97 LYS HEy 1.0 1.8 3.85 1219 1068 1 97 LYS HGy 1 97 LYS HDx 1.0 1.8 2.86 1220 1068 1 97 LYS HGy 1 97 LYS HDy 1.0 1.8 2.86 1221 1069 1 97 LYS HGy 1 97 LYS H 1.0 1.8 3.97 1222 1070 1 97 LYS HA 1 97 LYS HGy 1.0 1.8 3.71 1223 1071 1 98 VAL H 1 97 LYS HBx 1.0 1.8 5.07 1224 1072 1 98 VAL HA 1 97 LYS HBx 1.0 1.8 5.32 1225 1073 1 97 LYS HA 1 98 VAL H 1.0 1.8 2.78 1226 1074 1 97 LYS HA 1 98 VAL HGx% 1.0 1.8 4.14 1227 1075 1 98 VAL H 1 98 VAL HB 1.0 1.8 3.32 1228 1076 1 98 VAL HA 1 98 VAL HGy% 1.0 1.8 3.39 1229 1077 1 98 VAL H 1 98 VAL HGx% 1.0 1.8 3.54 1230 1078 1 98 VAL HA 1 98 VAL HGx% 1.0 1.8 3.31 1231 1079 1 99 THR H 1 98 VAL HB 1.0 1.8 4.92 1232 1080 1 98 VAL HGy% 1 99 THR HB 1.0 1.8 5.50 1233 1081 1 98 VAL HGy% 1 99 THR H 1.0 1.8 3.74 1234 1082 1 98 VAL HA 1 99 THR HB 1.0 1.8 5.27 1235 1083 1 98 VAL HA 1 99 THR H 1.0 1.8 2.96 1236 1084 1 98 VAL HGy% 1 99 THR HA 1.0 1.8 4.20 1237 1085 1 98 VAL HB 1 100 PRO HDx 1.0 1.8 5.10 1238 1086 1 100 PRO HGx 1 98 VAL HGy% 1.0 1.8 4.03 1239 1087 1 98 VAL HGy% 1 100 PRO HDx 1.0 1.8 3.85 1240 1088 1 99 THR H 1 99 THR HB 1.0 1.8 3.85 1241 1089 1 99 THR H 1 99 THR HG2% 1.0 1.8 4.23 1242 1090 1 99 THR HG2% 1 99 THR HA 1.0 1.8 3.16 1243 1091 1 99 THR H 1 100 PRO HA 1.0 1.8 5.22 1244 1092 1 100 PRO HGy 1 99 THR HA 1.0 1.8 4.32 1245 1093 1 99 THR HA 1 100 PRO HDx 1.0 1.8 3.09 1246 1094 1 99 THR HA 1 100 PRO HDy 1.0 1.8 3.25 1247 1095 1 99 THR HG2% 1 100 PRO HDy 1.0 1.8 4.28 1248 1096 1 99 THR HG2% 1 100 PRO HDx 1.0 1.8 4.51 1249 1097 1 99 THR HG2% 1 101 GLY HAy 1.0 1.8 5.18 1250 1098 1 101 GLY H 1 99 THR HA 1.0 1.8 5.09 1251 1099 1 100 PRO HBy 1 101 GLY H 1.0 1.8 3.70 1252 1100 1 100 PRO HBx 1 101 GLY H 1.0 1.8 4.46 1253 1101 1 100 PRO HGy 1 101 GLY H 1.0 1.8 4.04 1254 1102 1 100 PRO HGx 1 101 GLY H 1.0 1.8 4.82 1255 1103 1 101 GLY H 1 100 PRO HDy 1.0 1.8 4.19 1256 1104 1 101 GLY H 1 100 PRO HDx 1.0 1.8 4.70 1257 1105 1 101 GLY H 1 101 GLY HAx 1.0 1.8 2.96 1258 1106 1 102 VAL H 1 101 GLY HAx 1.0 1.8 3.28 1259 1107 1 102 VAL HGx% 1 101 GLY HAy 1.0 1.8 5.47 1260 1108 1 101 GLY H 1 102 VAL HB 1.0 1.8 5.50 1261 1109 1 102 VAL HGx% 1 101 GLY H 1.0 1.8 5.48 1262 1110 1 102 VAL HGx% 1 101 GLY HAx 1.0 1.8 4.47 1263 1111 1 102 VAL H 1 102 VAL HB 1.0 1.8 3.00 1264 1112 1 102 VAL HA 1 102 VAL HGy% 1.0 1.8 3.27 1265 1113 1 102 VAL HGx% 1 102 VAL H 1.0 1.8 2.99 1266 1114 1 102 VAL HGx% 1 102 VAL HA 1.0 1.8 3.27 1267 1115 1 102 VAL HA 1 103 LEU H 1.0 1.8 2.55 1268 1116 1 103 LEU HDx% 1 102 VAL HGy% 1.0 1.8 5.50 1269 1117 1 102 VAL HGx% 1 104 GLU HA 1.0 1.8 5.50 1270 1118 1 103 LEU HBy 1 103 LEU H 1.0 1.8 3.27 1271 1119 1 103 LEU HBx 1 103 LEU H 1.0 1.8 3.51 1272 1120 1 103 LEU HDy% 1 103 LEU H 1.0 1.8 5.06 1273 1121 1 103 LEU HDy% 1 103 LEU HA 1.0 1.8 4.05 1274 1122 1 103 LEU HDy% 1 103 LEU HBy 1.0 1.8 3.28 1275 1123 1 103 LEU HDy% 1 103 LEU HBx 1.0 1.8 3.36 1276 1124 1 103 LEU HDx% 1 103 LEU H 1.0 1.8 5.36 1277 1125 1 103 LEU HDx% 1 103 LEU HA 1.0 1.8 3.37 1278 1126 1 103 LEU HDx% 1 103 LEU HBy 1.0 1.8 3.61 1279 1127 1 103 LEU HDx% 1 103 LEU HBx 1.0 1.8 3.29 1280 1128 1 104 GLU H 1 103 LEU HBy 1.0 1.8 4.67 1281 1129 1 103 LEU HDy% 1 104 GLU H 1.0 1.8 4.64 1282 1130 1 103 LEU HDx% 1 104 GLU H 1.0 1.8 3.49 1283 1131 1 103 LEU HDx% 1 104 GLU HA 1.0 1.8 5.50 1284 1132 1 103 LEU HA 1 104 GLU H 1.0 1.8 2.85 1285 1133 1 103 LEU HA 1 104 GLU HBx 1.0 1.8 4.92 1286 1133 1 103 LEU HA 1 104 GLU HBy 1.0 1.8 4.92 1287 1134 1 103 LEU HA 1 104 GLU HGy 1.0 1.8 5.50 1288 1134 1 103 LEU HA 1 104 GLU HGx 1.0 1.8 5.50 1289 1135 1 104 GLU H 1 104 GLU HGy 1.0 1.8 3.71 1290 1136 1 104 GLU H 1 104 GLU HBx 1.0 1.8 3.21 1291 1136 1 104 GLU H 1 104 GLU HBy 1.0 1.8 3.21 1292 1137 1 104 GLU HBx 1 104 GLU HGy 1.0 1.8 2.40 1293 1137 1 104 GLU HBy 1 104 GLU HGy 1.0 1.8 2.40 1294 1137 1 104 GLU HGx 1 104 GLU HBx 1.0 1.8 2.40 1295 1137 1 104 GLU HBy 1 104 GLU HGx 1.0 1.8 2.40 1296 1138 1 104 GLU HA 1 104 GLU HGy 1.0 1.8 3.45 1297 1138 1 104 GLU HGx 1 104 GLU HA 1.0 1.8 3.45 1298 1139 1 104 GLU HA 1 104 GLU HBx 1.0 1.8 2.89 1299 1139 1 104 GLU HBy 1 104 GLU HA 1.0 1.8 2.89 1300 1140 1 105 HIS H 1 104 GLU HBx 1.0 1.8 4.34 1301 1140 1 104 GLU HBy 1 105 HIS H 1.0 1.8 4.34 1302 1141 1 35 LEU H 1 34 GLN HA 1.0 1.8 4.00 1303 1142 1 35 LEU H 1 34 GLN H 1.0 1.8 3.30 1304 1143 1 35 LEU H 1 34 GLN HBx 1.0 1.8 4.90 1305 1144 1 36 GLU H 1 34 GLN HA 1.0 1.8 4.90 1306 1145 1 36 GLU H 1 34 GLN H 1.0 1.8 4.70 1307 1146 1 34 GLN HA 1 37 LYS H 1.0 1.8 3.90 1308 1147 1 34 GLN HA 1 37 LYS HBx 1.0 1.8 5.60 1309 1148 1 38 ASN H 1 34 GLN HA 1.0 1.8 4.70 1310 1149 1 35 LEU HA 1 36 GLU H 1.0 1.8 4.00 1311 1150 1 36 GLU H 1 35 LEU H 1.0 1.8 3.30 1312 1151 1 36 GLU H 1 35 LEU HBx 1.0 1.8 4.90 1313 1152 1 35 LEU HA 1 37 LYS H 1.0 1.8 4.90 1314 1153 1 35 LEU H 1 37 LYS H 1.0 1.8 4.70 1315 1154 1 35 LEU HA 1 38 ASN H 1.0 1.8 3.90 1316 1155 1 35 LEU HA 1 38 ASN HBx 1.0 1.8 5.60 1317 1156 1 35 LEU HA 1 39 VAL H 1.0 1.8 4.70 1318 1157 1 36 GLU HA 1 37 LYS H 1.0 1.8 4.00 1319 1158 1 36 GLU H 1 37 LYS H 1.0 1.8 3.30 1320 1159 1 36 GLU HBx 1 37 LYS H 1.0 1.8 4.90 1321 1160 1 36 GLU HA 1 38 ASN H 1.0 1.8 4.90 1322 1161 1 36 GLU H 1 38 ASN H 1.0 1.8 4.70 1323 1162 1 36 GLU HA 1 39 VAL H 1.0 1.8 3.90 1324 1163 1 36 GLU HA 1 39 VAL HB 1.0 1.8 5.60 1325 1164 1 36 GLU HA 1 40 ARG H 1.0 1.8 4.70 1326 1165 1 38 ASN H 1 37 LYS HA 1.0 1.8 4.00 1327 1166 1 38 ASN H 1 37 LYS H 1.0 1.8 3.30 1328 1167 1 38 ASN H 1 37 LYS HBx 1.0 1.8 4.90 1329 1168 1 39 VAL H 1 37 LYS HA 1.0 1.8 4.90 1330 1169 1 39 VAL H 1 37 LYS H 1.0 1.8 4.70 1331 1170 1 37 LYS HA 1 40 ARG H 1.0 1.8 3.90 1332 1171 1 37 LYS HA 1 40 ARG HBx 1.0 1.8 5.60 1333 1172 1 37 LYS HA 1 41 ALA H 1.0 1.8 4.70 1334 1173 1 39 VAL H 1 38 ASN HA 1.0 1.8 4.00 1335 1174 1 38 ASN H 1 39 VAL H 1.0 1.8 3.30 1336 1175 1 39 VAL H 1 38 ASN HBx 1.0 1.8 4.90 1337 1176 1 40 ARG H 1 38 ASN HA 1.0 1.8 4.90 1338 1177 1 38 ASN H 1 40 ARG H 1.0 1.8 4.70 1339 1178 1 38 ASN HA 1 41 ALA H 1.0 1.8 3.90 1340 1179 1 38 ASN HA 1 41 ALA HB% 1.0 1.8 5.60 1341 1180 1 38 ASN HA 1 42 GLN H 1.0 1.8 4.70 1342 1181 1 40 ARG H 1 39 VAL HA 1.0 1.8 4.00 1343 1182 1 39 VAL H 1 40 ARG H 1.0 1.8 3.30 1344 1183 1 39 VAL HB 1 40 ARG H 1.0 1.8 4.90 1345 1184 1 41 ALA H 1 39 VAL HA 1.0 1.8 4.90 1346 1185 1 39 VAL H 1 41 ALA H 1.0 1.8 4.70 1347 1186 1 42 GLN H 1 39 VAL HA 1.0 1.8 3.90 1348 1187 1 39 VAL HA 1 42 GLN HBx 1.0 1.8 5.60 1349 1188 1 39 VAL HA 1 43 LEU H 1.0 1.8 4.70 1350 1189 1 41 ALA H 1 40 ARG HA 1.0 1.8 4.00 1351 1190 1 40 ARG H 1 41 ALA H 1.0 1.8 3.30 1352 1191 1 41 ALA H 1 40 ARG HBx 1.0 1.8 4.90 1353 1192 1 42 GLN H 1 40 ARG HA 1.0 1.8 4.90 1354 1193 1 40 ARG H 1 42 GLN H 1.0 1.8 4.70 1355 1194 1 40 ARG HA 1 43 LEU H 1.0 1.8 3.90 1356 1195 1 40 ARG HA 1 43 LEU HBx 1.0 1.8 5.60 1357 1196 1 40 ARG HA 1 44 SER H 1.0 1.8 4.70 1358 1197 1 42 GLN H 1 41 ALA HA 1.0 1.8 4.00 1359 1198 1 41 ALA H 1 42 GLN H 1.0 1.8 3.30 1360 1199 1 41 ALA HB% 1 42 GLN H 1.0 1.8 4.90 1361 1200 1 43 LEU H 1 41 ALA HA 1.0 1.8 4.90 1362 1201 1 41 ALA H 1 43 LEU H 1.0 1.8 4.70 1363 1202 1 44 SER H 1 41 ALA HA 1.0 1.8 3.90 1364 1203 1 44 SER HBx 1 41 ALA HA 1.0 1.8 5.60 1365 1204 1 45 THR H 1 41 ALA HA 1.0 1.8 4.70 1366 1205 1 43 LEU H 1 42 GLN HA 1.0 1.8 4.00 1367 1206 1 42 GLN H 1 43 LEU H 1.0 1.8 3.30 1368 1207 1 42 GLN HBx 1 43 LEU H 1.0 1.8 4.90 1369 1208 1 42 GLN HA 1 44 SER H 1.0 1.8 4.90 1370 1209 1 42 GLN H 1 44 SER H 1.0 1.8 4.70 1371 1210 1 45 THR H 1 42 GLN HA 1.0 1.8 3.90 1372 1211 1 42 GLN HA 1 45 THR HB 1.0 1.8 5.60 1373 1212 1 42 GLN HA 1 46 ILE H 1.0 1.8 4.70 1374 1213 1 43 LEU HA 1 44 SER H 1.0 1.8 4.00 1375 1214 1 43 LEU H 1 44 SER H 1.0 1.8 3.30 1376 1215 1 43 LEU HBx 1 44 SER H 1.0 1.8 4.90 1377 1216 1 43 LEU HA 1 45 THR H 1.0 1.8 4.90 1378 1217 1 43 LEU H 1 45 THR H 1.0 1.8 4.70 1379 1218 1 43 LEU HA 1 46 ILE H 1.0 1.8 3.90 1380 1219 1 43 LEU HA 1 46 ILE HB 1.0 1.8 5.60 1381 1220 1 45 THR H 1 44 SER HA 1.0 1.8 4.00 1382 1221 1 45 THR H 1 44 SER H 1.0 1.8 3.30 1383 1222 1 44 SER HBx 1 45 THR H 1.0 1.8 4.90 1384 1223 1 44 SER HA 1 46 ILE H 1.0 1.8 4.90 1385 1224 1 44 SER H 1 46 ILE H 1.0 1.8 4.70 1386 1225 1 45 THR HA 1 46 ILE H 1.0 1.8 4.00 1387 1226 1 45 THR H 1 46 ILE H 1.0 1.8 3.30 1388 1227 1 46 ILE H 1 45 THR HB 1.0 1.8 4.90 1389 1228 1 54 ASP HA 1 55 ARG H 1.0 1.8 4.00 1390 1229 1 54 ASP HBx 1 55 ARG H 1.0 1.8 4.90 1391 1230 1 56 ARG H 1 54 ASP HA 1.0 1.8 4.90 1392 1231 1 54 ASP H 1 56 ARG H 1.0 1.8 4.70 1393 1232 1 57 PHE HBx 1 54 ASP HA 1.0 1.8 5.60 1394 1233 1 54 ASP HA 1 58 ARG H 1.0 1.8 4.70 1395 1234 1 56 ARG H 1 55 ARG HA 1.0 1.8 4.00 1396 1235 1 56 ARG H 1 55 ARG H 1.0 1.8 3.30 1397 1236 1 56 ARG H 1 55 ARG HBx 1.0 1.8 4.90 1398 1237 1 57 PHE H 1 55 ARG HA 1.0 1.8 4.90 1399 1238 1 57 PHE H 1 55 ARG H 1.0 1.8 4.70 1400 1239 1 55 ARG HA 1 58 ARG H 1.0 1.8 3.90 1401 1240 1 55 ARG HA 1 58 ARG HBx 1.0 1.8 5.60 1402 1241 1 55 ARG HA 1 59 ALA H 1.0 1.8 4.70 1403 1242 1 57 PHE H 1 56 ARG HA 1.0 1.8 4.00 1404 1243 1 56 ARG H 1 57 PHE H 1.0 1.8 3.30 1405 1244 1 57 PHE H 1 56 ARG HBx 1.0 1.8 4.90 1406 1245 1 56 ARG HA 1 58 ARG H 1.0 1.8 4.90 1407 1246 1 56 ARG H 1 58 ARG H 1.0 1.8 4.70 1408 1247 1 56 ARG HA 1 59 ALA H 1.0 1.8 3.90 1409 1248 1 56 ARG HA 1 59 ALA HB% 1.0 1.8 5.60 1410 1249 1 56 ARG HA 1 60 ARG H 1.0 1.8 4.70 1411 1250 1 58 ARG H 1 57 PHE HA 1.0 1.8 4.00 1412 1251 1 57 PHE H 1 58 ARG H 1.0 1.8 3.30 1413 1252 1 57 PHE HBx 1 58 ARG H 1.0 1.8 4.90 1414 1253 1 57 PHE HA 1 59 ALA H 1.0 1.8 4.90 1415 1254 1 57 PHE H 1 59 ALA H 1.0 1.8 4.70 1416 1255 1 57 PHE HA 1 60 ARG H 1.0 1.8 3.90 1417 1256 1 57 PHE HA 1 60 ARG HBx 1.0 1.8 5.60 1418 1257 1 57 PHE HA 1 61 VAL H 1.0 1.8 4.70 1419 1258 1 58 ARG HA 1 59 ALA H 1.0 1.8 4.00 1420 1259 1 58 ARG H 1 59 ALA H 1.0 1.8 3.30 1421 1260 1 58 ARG HBx 1 59 ALA H 1.0 1.8 4.90 1422 1261 1 58 ARG HA 1 60 ARG H 1.0 1.8 4.90 1423 1262 1 58 ARG H 1 60 ARG H 1.0 1.8 4.70 1424 1263 1 58 ARG HA 1 61 VAL H 1.0 1.8 3.90 1425 1264 1 61 VAL HB 1 58 ARG HA 1.0 1.8 5.60 1426 1265 1 58 ARG HA 1 62 ASP H 1.0 1.8 4.70 1427 1266 1 60 ARG H 1 59 ALA HA 1.0 1.8 4.00 1428 1267 1 60 ARG H 1 59 ALA H 1.0 1.8 3.30 1429 1268 1 59 ALA HB% 1 60 ARG H 1.0 1.8 4.90 1430 1269 1 61 VAL H 1 59 ALA HA 1.0 1.8 4.90 1431 1270 1 59 ALA H 1 61 VAL H 1.0 1.8 4.70 1432 1271 1 62 ASP H 1 59 ALA HA 1.0 1.8 3.90 1433 1272 1 59 ALA HA 1 62 ASP HBx 1.0 1.8 5.60 1434 1273 1 59 ALA HA 1 63 ASP H 1.0 1.8 4.70 1435 1274 1 61 VAL H 1 60 ARG HA 1.0 1.8 4.00 1436 1275 1 60 ARG H 1 61 VAL H 1.0 1.8 3.30 1437 1276 1 60 ARG HBx 1 61 VAL H 1.0 1.8 4.90 1438 1277 1 62 ASP H 1 60 ARG HA 1.0 1.8 4.90 1439 1278 1 60 ARG H 1 62 ASP H 1.0 1.8 4.70 1440 1279 1 60 ARG HA 1 63 ASP H 1.0 1.8 3.90 1441 1280 1 60 ARG HA 1 63 ASP HBx 1.0 1.8 5.60 1442 1281 1 60 ARG HA 1 64 ALA H 1.0 1.8 4.70 1443 1282 1 61 VAL HA 1 62 ASP H 1.0 1.8 4.00 1444 1283 1 61 VAL H 1 62 ASP H 1.0 1.8 3.30 1445 1284 1 61 VAL HB 1 62 ASP H 1.0 1.8 4.90 1446 1285 1 61 VAL HA 1 63 ASP H 1.0 1.8 4.90 1447 1286 1 61 VAL H 1 63 ASP H 1.0 1.8 4.70 1448 1287 1 61 VAL HA 1 64 ALA H 1.0 1.8 3.90 1449 1288 1 64 ALA HB% 1 61 VAL HA 1.0 1.8 5.60 1450 1289 1 61 VAL HA 1 65 ILE H 1.0 1.8 4.70 1451 1290 1 62 ASP HA 1 63 ASP H 1.0 1.8 4.00 1452 1291 1 62 ASP H 1 63 ASP H 1.0 1.8 3.30 1453 1292 1 62 ASP HBx 1 63 ASP H 1.0 1.8 4.90 1454 1293 1 62 ASP HA 1 64 ALA H 1.0 1.8 4.90 1455 1294 1 62 ASP H 1 64 ALA H 1.0 1.8 4.70 1456 1295 1 62 ASP HA 1 65 ILE H 1.0 1.8 3.90 1457 1296 1 62 ASP HA 1 65 ILE HB 1.0 1.8 5.60 1458 1297 1 62 ASP HA 1 66 ARG H 1.0 1.8 4.70 1459 1298 1 64 ALA H 1 63 ASP HA 1.0 1.8 4.00 1460 1299 1 63 ASP H 1 64 ALA H 1.0 1.8 3.30 1461 1300 1 63 ASP HBx 1 64 ALA H 1.0 1.8 4.90 1462 1301 1 65 ILE H 1 63 ASP HA 1.0 1.8 4.90 1463 1302 1 65 ILE H 1 63 ASP H 1.0 1.8 4.70 1464 1303 1 63 ASP HA 1 66 ARG H 1.0 1.8 3.90 1465 1304 1 63 ASP HA 1 66 ARG HBy 1.0 1.8 5.60 1466 1305 1 63 ASP HA 1 67 GLU H 1.0 1.8 4.70 1467 1306 1 64 ALA HA 1 65 ILE H 1.0 1.8 4.00 1468 1307 1 65 ILE H 1 64 ALA H 1.0 1.8 3.30 1469 1308 1 64 ALA HB% 1 65 ILE H 1.0 1.8 4.90 1470 1309 1 64 ALA HA 1 66 ARG H 1.0 1.8 4.90 1471 1310 1 64 ALA H 1 66 ARG H 1.0 1.8 4.70 1472 1311 1 64 ALA HA 1 67 GLU H 1.0 1.8 3.90 1473 1312 1 64 ALA HA 1 67 GLU HBx 1.0 1.8 5.60 1474 1313 1 68 GLY H 1 64 ALA HA 1.0 1.8 4.70 1475 1314 1 65 ILE HA 1 66 ARG H 1.0 1.8 4.00 1476 1315 1 65 ILE H 1 66 ARG H 1.0 1.8 3.30 1477 1316 1 66 ARG H 1 65 ILE HB 1.0 1.8 4.90 1478 1317 1 65 ILE HA 1 67 GLU H 1.0 1.8 4.90 1479 1318 1 65 ILE H 1 67 GLU H 1.0 1.8 4.70 1480 1319 1 65 ILE HA 1 68 GLY H 1.0 1.8 3.90 1481 1320 1 65 ILE HA 1 69 LEU H 1.0 1.8 4.70 1482 1321 1 67 GLU H 1 66 ARG HA 1.0 1.8 4.00 1483 1322 1 66 ARG H 1 67 GLU H 1.0 1.8 3.30 1484 1323 1 66 ARG HBy 1 67 GLU H 1.0 1.8 4.90 1485 1324 1 68 GLY H 1 66 ARG HA 1.0 1.8 4.90 1486 1325 1 68 GLY H 1 66 ARG H 1.0 1.8 4.70 1487 1326 1 66 ARG HA 1 69 LEU H 1.0 1.8 3.90 1488 1327 1 66 ARG HA 1 69 LEU HBx 1.0 1.8 5.60 1489 1328 1 66 ARG HA 1 70 LYS H 1.0 1.8 4.70 1490 1329 1 68 GLY H 1 67 GLU HA 1.0 1.8 4.00 1491 1330 1 68 GLY H 1 67 GLU H 1.0 1.8 3.30 1492 1331 1 68 GLY H 1 67 GLU HBx 1.0 1.8 4.90 1493 1332 1 69 LEU H 1 67 GLU HA 1.0 1.8 4.90 1494 1333 1 67 GLU H 1 69 LEU H 1.0 1.8 4.70 1495 1334 1 67 GLU HA 1 70 LYS H 1.0 1.8 3.90 1496 1335 1 67 GLU HA 1 70 LYS HBx 1.0 1.8 5.60 1497 1336 1 67 GLU HA 1 71 ALA H 1.0 1.8 4.70 1498 1337 1 68 GLY HAy 1 69 LEU H 1.0 1.8 4.00 1499 1338 1 68 GLY H 1 69 LEU H 1.0 1.8 3.30 1500 1339 1 68 GLY HAy 1 70 LYS H 1.0 1.8 4.90 1501 1340 1 68 GLY H 1 70 LYS H 1.0 1.8 4.70 1502 1341 1 68 GLY HAy 1 71 ALA H 1.0 1.8 3.90 1503 1342 1 68 GLY HAy 1 71 ALA HB% 1.0 1.8 5.60 1504 1343 1 69 LEU HA 1 70 LYS H 1.0 1.8 4.00 1505 1344 1 69 LEU H 1 70 LYS H 1.0 1.8 3.30 1506 1345 1 69 LEU HBx 1 70 LYS H 1.0 1.8 4.90 1507 1346 1 69 LEU HA 1 71 ALA H 1.0 1.8 4.90 1508 1347 1 69 LEU H 1 71 ALA H 1.0 1.8 4.70 1509 1348 1 71 ALA H 1 70 LYS HA 1.0 1.8 4.00 1510 1349 1 70 LYS H 1 71 ALA H 1.0 1.8 3.30 1511 1350 1 70 LYS HBx 1 71 ALA H 1.0 1.8 4.90 1512 1351 1 23 ASN HA 1 24 VAL H 1.0 1.8 2.70 1513 1352 1 24 VAL H 1 23 ASN H 1.0 1.8 4.80 1514 1353 1 24 VAL H 1 23 ASN HBx 1.0 1.8 5.20 1515 1354 1 24 VAL HA 1 25 ARG H 1.0 1.8 2.70 1516 1355 1 24 VAL H 1 25 ARG H 1.0 1.8 4.80 1517 1356 1 24 VAL HB 1 25 ARG H 1.0 1.8 5.20 1518 1357 1 26 LEU H 1 25 ARG HA 1.0 1.8 2.70 1519 1358 1 25 ARG H 1 26 LEU H 1.0 1.8 4.80 1520 1359 1 25 ARG HBx 1 26 LEU H 1.0 1.8 5.20 1521 1360 1 26 LEU HA 1 27 GLN H 1.0 1.8 2.70 1522 1361 1 26 LEU H 1 27 GLN H 1.0 1.8 4.80 1523 1362 1 26 LEU HBx 1 27 GLN H 1.0 1.8 5.20 1524 1363 1 27 GLN HA 1 28 VAL H 1.0 1.8 2.70 1525 1364 1 27 GLN H 1 28 VAL H 1.0 1.8 4.80 1526 1365 1 28 VAL H 1 27 GLN HBx 1.0 1.8 5.20 1527 1366 1 28 VAL HA 1 29 GLU H 1.0 1.8 2.70 1528 1367 1 28 VAL H 1 29 GLU H 1.0 1.8 4.80 1529 1368 1 28 VAL HB 1 29 GLU H 1.0 1.8 5.20 1530 1369 1 29 GLU HA 1 30 GLY H 1.0 1.8 2.70 1531 1370 1 29 GLU H 1 30 GLY H 1.0 1.8 4.80 1532 1371 1 29 GLU HBx 1 30 GLY H 1.0 1.8 5.20 1533 1372 1 30 GLY HAx 1 31 LEU H 1.0 1.8 2.70 1534 1373 1 30 GLY H 1 31 LEU H 1.0 1.8 4.80 1535 1374 1 31 LEU HA 1 32 SER H 1.0 1.8 2.70 1536 1375 1 31 LEU H 1 32 SER H 1.0 1.8 4.80 1537 1376 1 31 LEU HBx 1 32 SER H 1.0 1.8 5.20 1538 1377 1 78 THR HA 1 79 ILE H 1.0 1.8 2.70 1539 1378 1 78 THR H 1 79 ILE H 1.0 1.8 4.80 1540 1379 1 78 THR HB 1 79 ILE H 1.0 1.8 5.20 1541 1380 1 79 ILE HA 1 80 GLU H 1.0 1.8 2.70 1542 1381 1 79 ILE H 1 80 GLU H 1.0 1.8 4.80 1543 1382 1 79 ILE HB 1 80 GLU H 1.0 1.8 5.20 1544 1383 1 80 GLU HA 1 81 PHE H 1.0 1.8 2.70 1545 1384 1 80 GLU H 1 81 PHE H 1.0 1.8 4.80 1546 1385 1 80 GLU HBx 1 81 PHE H 1.0 1.8 5.20 1547 1386 1 81 PHE HA 1 82 ASP H 1.0 1.8 2.70 1548 1387 1 81 PHE H 1 82 ASP H 1.0 1.8 4.80 1549 1388 1 81 PHE HBx 1 82 ASP H 1.0 1.8 5.20 1550 1389 1 93 VAL HA 1 94 LEU H 1.0 1.8 2.70 1551 1390 1 94 LEU H 1 93 VAL H 1.0 1.8 4.80 1552 1391 1 94 LEU H 1 93 VAL HB 1.0 1.8 5.20 1553 1392 1 95 ILE H 1 94 LEU HA 1.0 1.8 2.70 1554 1393 1 94 LEU H 1 95 ILE H 1.0 1.8 4.80 1555 1394 1 95 ILE H 1 94 LEU HBx 1.0 1.8 5.20 1556 1395 1 96 ALA H 1 95 ILE HA 1.0 1.8 2.70 1557 1396 1 95 ILE H 1 96 ALA H 1.0 1.8 4.80 1558 1397 1 95 ILE HB 1 96 ALA H 1.0 1.8 5.20 1559 1398 1 97 LYS H 1 96 ALA HA 1.0 1.8 2.70 1560 1399 1 97 LYS H 1 96 ALA H 1.0 1.8 4.80 1561 1400 1 96 ALA HB% 1 97 LYS H 1.0 1.8 5.20 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _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 1 38 ASN H 1 34 GLN O 1.0 1.6 2.2 2 2 1 34 GLN O 1 38 ASN N 1.0 2.4 3.1 3 3 1 39 VAL H 1 35 LEU O 1.0 1.6 2.2 4 4 1 35 LEU O 1 39 VAL N 1.0 2.4 3.1 5 5 1 40 ARG H 1 36 GLU O 1.0 1.6 2.2 6 6 1 36 GLU O 1 40 ARG N 1.0 2.4 3.1 7 7 1 41 ALA H 1 37 LYS O 1.0 1.6 2.2 8 8 1 37 LYS O 1 41 ALA N 1.0 2.4 3.1 9 9 1 42 GLN H 1 38 ASN O 1.0 1.6 2.2 10 10 1 38 ASN O 1 42 GLN N 1.0 2.4 3.1 11 11 1 43 LEU H 1 39 VAL O 1.0 1.6 2.2 12 12 1 39 VAL O 1 43 LEU N 1.0 2.4 3.1 13 13 1 44 SER H 1 40 ARG O 1.0 1.6 2.2 14 14 1 40 ARG O 1 44 SER N 1.0 2.4 3.1 15 15 1 45 THR H 1 41 ALA O 1.0 1.6 2.2 16 16 1 41 ALA O 1 45 THR N 1.0 2.4 3.1 17 17 1 46 ILE H 1 42 GLN O 1.0 1.6 2.2 18 18 1 42 GLN O 1 46 ILE N 1.0 2.4 3.1 19 19 1 58 ARG H 1 54 ASP O 1.0 1.6 2.2 20 20 1 54 ASP O 1 58 ARG N 1.0 2.4 3.1 21 21 1 60 ARG H 1 56 ARG O 1.0 1.6 2.2 22 22 1 56 ARG O 1 60 ARG N 1.0 2.4 3.1 23 23 1 61 VAL H 1 57 PHE O 1.0 1.6 2.2 24 24 1 57 PHE O 1 61 VAL N 1.0 2.4 3.1 25 25 1 62 ASP H 1 58 ARG O 1.0 1.6 2.2 26 26 1 58 ARG O 1 62 ASP N 1.0 2.4 3.1 27 27 1 63 ASP H 1 59 ALA O 1.0 1.6 2.2 28 28 1 59 ALA O 1 63 ASP N 1.0 2.4 3.1 29 29 1 64 ALA H 1 60 ARG O 1.0 1.6 2.2 30 30 1 60 ARG O 1 64 ALA N 1.0 2.4 3.1 31 31 1 65 ILE H 1 61 VAL O 1.0 1.6 2.2 32 32 1 61 VAL O 1 65 ILE N 1.0 2.4 3.1 33 33 1 67 GLU H 1 63 ASP O 1.0 1.6 2.2 34 34 1 63 ASP O 1 67 GLU N 1.0 2.4 3.1 35 35 1 68 GLY H 1 64 ALA O 1.0 1.6 2.2 36 36 1 64 ALA O 1 68 GLY N 1.0 2.4 3.1 37 37 1 69 LEU H 1 65 ILE O 1.0 1.6 2.2 38 38 1 65 ILE O 1 69 LEU N 1.0 2.4 3.1 39 39 1 70 LYS H 1 66 ARG O 1.0 1.6 2.2 40 40 1 66 ARG O 1 70 LYS N 1.0 2.4 3.1 41 41 1 27 GLN H 1 94 LEU O 1.0 1.6 2.2 42 42 1 94 LEU O 1 27 GLN N 1.0 2.4 3.1 43 43 1 29 GLU H 1 96 ALA O 1.0 1.6 2.2 44 44 1 96 ALA O 1 29 GLU N 1.0 2.4 3.1 45 45 1 78 THR H 1 99 THR O 1.0 1.6 2.2 46 46 1 99 THR O 1 78 THR N 1.0 2.4 3.1 47 47 1 80 GLU H 1 97 LYS O 1.0 1.6 2.2 48 48 1 97 LYS O 1 80 GLU N 1.0 2.4 3.1 49 49 1 82 ASP H 1 95 ILE O 1.0 1.6 2.2 50 50 1 95 ILE O 1 82 ASP N 1.0 2.4 3.1 51 51 1 84 ARG H 1 93 VAL O 1.0 1.6 2.2 52 52 1 93 VAL O 1 84 ARG N 1.0 2.4 3.1 53 53 1 93 VAL H 1 84 ARG O 1.0 1.6 2.2 54 54 1 84 ARG O 1 93 VAL N 1.0 2.4 3.1 55 55 1 95 ILE H 1 82 ASP O 1.0 1.6 2.2 56 56 1 82 ASP O 1 95 ILE N 1.0 2.4 3.1 57 57 1 96 ALA H 1 27 GLN O 1.0 1.6 2.2 58 58 1 27 GLN O 1 96 ALA N 1.0 2.4 3.1 59 59 1 97 LYS H 1 80 GLU O 1.0 1.6 2.2 60 60 1 80 GLU O 1 97 LYS N 1.0 2.4 3.1 61 61 1 98 VAL H 1 29 GLU O 1.0 1.6 2.2 62 62 1 29 GLU O 1 98 VAL N 1.0 2.4 3.1 63 63 1 99 THR H 1 78 THR O 1.0 1.6 2.2 64 64 1 78 THR O 1 99 THR N 1.0 2.4 3.1 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 1 23 ASN C 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1.0 -150.84 -90.84 PHI 2 2 1 24 VAL N 1 24 VAL CA 1 24 VAL C 1 25 ARG N 1.0 115.97 175.97 PSI 3 3 1 24 VAL C 1 25 ARG N 1 25 ARG CA 1 25 ARG C 1.0 -148.91 -88.91 PHI 4 4 1 25 ARG N 1 25 ARG CA 1 25 ARG C 1 26 LEU N 1.0 98.15 158.15 PSI 5 5 1 25 ARG C 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1.0 -131.81 -68.31 PHI 6 6 1 26 LEU N 1 26 LEU CA 1 26 LEU C 1 27 GLN N 1.0 92.58 152.58 PSI 7 7 1 26 LEU C 1 27 GLN N 1 27 GLN CA 1 27 GLN C 1.0 -157.36 -74.76 PHI 8 8 1 27 GLN N 1 27 GLN CA 1 27 GLN C 1 28 VAL N 1.0 102.12 162.12 PSI 9 9 1 27 GLN C 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1.0 -144.09 -84.09 PHI 10 10 1 28 VAL N 1 28 VAL CA 1 28 VAL C 1 29 GLU N 1.0 97.49 157.49 PSI 11 11 1 28 VAL C 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1.0 -167.00 -85.56 PHI 12 12 1 29 GLU N 1 29 GLU CA 1 29 GLU C 1 30 GLY N 1.0 123.07 183.07 PSI 13 13 1 30 GLY C 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1.0 -173.19 -88.07 PHI 14 14 1 31 LEU N 1 31 LEU CA 1 31 LEU C 1 32 SER N 1.0 126.00 186.00 PSI 15 15 1 31 LEU C 1 32 SER N 1 32 SER CA 1 32 SER C 1.0 -165.07 -55.73 PHI 16 16 1 32 SER N 1 32 SER CA 1 32 SER C 1 33 GLY N 1.0 107.96 187.76 PSI 17 17 1 33 GLY C 1 34 GLN N 1 34 GLN CA 1 34 GLN C 1.0 -95.06 -35.06 PHI 18 18 1 34 GLN N 1 34 GLN CA 1 34 GLN C 1 35 LEU N 1.0 -70.30 -10.30 PSI 19 19 1 34 GLN C 1 35 LEU N 1 35 LEU CA 1 35 LEU C 1.0 -90.03 -30.03 PHI 20 20 1 35 LEU N 1 35 LEU CA 1 35 LEU C 1 36 GLU N 1.0 -74.54 -14.54 PSI 21 21 1 35 LEU C 1 36 GLU N 1 36 GLU CA 1 36 GLU C 1.0 -94.20 -34.20 PHI 22 22 1 36 GLU N 1 36 GLU CA 1 36 GLU C 1 37 LYS N 1.0 -70.94 -10.94 PSI 23 23 1 36 GLU C 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1.0 -91.75 -31.75 PHI 24 24 1 37 LYS N 1 37 LYS CA 1 37 LYS C 1 38 ASN N 1.0 -69.09 -9.09 PSI 25 25 1 37 LYS C 1 38 ASN N 1 38 ASN CA 1 38 ASN C 1.0 -93.83 -33.83 PHI 26 26 1 38 ASN N 1 38 ASN CA 1 38 ASN C 1 39 VAL N 1.0 -75.43 -15.43 PSI 27 27 1 38 ASN C 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1.0 -93.48 -33.48 PHI 28 28 1 39 VAL N 1 39 VAL CA 1 39 VAL C 1 40 ARG N 1.0 -73.37 -13.37 PSI 29 29 1 39 VAL C 1 40 ARG N 1 40 ARG CA 1 40 ARG C 1.0 -89.50 -29.50 PHI 30 30 1 40 ARG N 1 40 ARG CA 1 40 ARG C 1 41 ALA N 1.0 -73.67 -13.67 PSI 31 31 1 40 ARG C 1 41 ALA N 1 41 ALA CA 1 41 ALA C 1.0 -89.36 -29.36 PHI 32 32 1 41 ALA N 1 41 ALA CA 1 41 ALA C 1 42 GLN N 1.0 -72.61 -12.61 PSI 33 33 1 41 ALA C 1 42 GLN N 1 42 GLN CA 1 42 GLN C 1.0 -95.95 -35.95 PHI 34 34 1 42 GLN N 1 42 GLN CA 1 42 GLN C 1 43 LEU N 1.0 -71.94 -11.94 PSI 35 35 1 42 GLN C 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1.0 -95.56 -35.56 PHI 36 36 1 43 LEU N 1 43 LEU CA 1 43 LEU C 1 44 SER N 1.0 -62.30 -2.30 PSI 37 37 1 43 LEU C 1 44 SER N 1 44 SER CA 1 44 SER C 1.0 -96.20 -36.20 PHI 38 38 1 44 SER N 1 44 SER CA 1 44 SER C 1 45 THR N 1.0 -64.88 -4.88 PSI 39 39 1 44 SER C 1 45 THR N 1 45 THR CA 1 45 THR C 1.0 -119.80 -59.80 PHI 40 40 1 45 THR N 1 45 THR CA 1 45 THR C 1 46 ILE N 1.0 -36.11 26.47 PSI 41 41 1 45 THR C 1 46 ILE N 1 46 ILE CA 1 46 ILE C 1.0 -172.21 -31.79 PHI 42 42 1 46 ILE N 1 46 ILE CA 1 46 ILE C 1 47 GLU N 1.0 66.98 201.18 PSI 43 43 1 46 ILE C 1 47 GLU N 1 47 GLU CA 1 47 GLU C 1.0 -98.25 -38.25 PHI 44 44 1 47 GLU N 1 47 GLU CA 1 47 GLU C 1 48 SER N 1.0 -60.03 -0.03 PSI 45 45 1 47 GLU C 1 48 SER N 1 48 SER CA 1 48 SER C 1.0 -119.07 -36.85 PHI 46 46 1 48 SER N 1 48 SER CA 1 48 SER C 1 49 ASP N 1.0 -69.15 9.53 PSI 47 47 1 48 SER C 1 49 ASP N 1 49 ASP CA 1 49 ASP C 1.0 -119.93 -49.17 PHI 48 48 1 49 ASP N 1 49 ASP CA 1 49 ASP C 1 50 GLU N 1.0 -53.83 32.65 PSI 49 49 1 49 ASP C 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1.0 27.79 87.79 PHI 50 50 1 50 GLU N 1 50 GLU CA 1 50 GLU C 1 51 VAL N 1.0 15.28 75.28 PSI 51 51 1 50 GLU C 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1.0 -159.87 -75.81 PHI 52 52 1 51 VAL N 1 51 VAL CA 1 51 VAL C 1 52 THR N 1.0 114.65 192.93 PSI 53 53 1 51 VAL C 1 52 THR N 1 52 THR CA 1 52 THR C 1.0 -144.92 -59.88 PHI 54 54 1 52 THR N 1 52 THR CA 1 52 THR C 1 53 PRO N 1.0 64.43 170.09 PSI 55 55 1 52 THR C 1 53 PRO N 1 53 PRO CA 1 53 PRO C 1.0 -94.15 -34.15 PHI 56 56 1 53 PRO N 1 53 PRO CA 1 53 PRO C 1 54 ASP N 1.0 117.52 177.52 PSI 57 57 1 53 PRO C 1 54 ASP N 1 54 ASP CA 1 54 ASP C 1.0 -146.93 -52.63 PHI 58 58 1 54 ASP N 1 54 ASP CA 1 54 ASP C 1 55 ARG N 1.0 74.55 181.71 PSI 59 59 1 54 ASP C 1 55 ARG N 1 55 ARG CA 1 55 ARG C 1.0 -89.82 -29.82 PHI 60 60 1 55 ARG N 1 55 ARG CA 1 55 ARG C 1 56 ARG N 1.0 -67.22 -7.22 PSI 61 61 1 55 ARG C 1 56 ARG N 1 56 ARG CA 1 56 ARG C 1.0 -93.17 -33.17 PHI 62 62 1 56 ARG N 1 56 ARG CA 1 56 ARG C 1 57 PHE N 1.0 -70.01 -10.01 PSI 63 63 1 56 ARG C 1 57 PHE N 1 57 PHE CA 1 57 PHE C 1.0 -97.39 -37.39 PHI 64 64 1 57 PHE N 1 57 PHE CA 1 57 PHE C 1 58 ARG N 1.0 -69.61 -9.61 PSI 65 65 1 57 PHE C 1 58 ARG N 1 58 ARG CA 1 58 ARG C 1.0 -90.39 -30.39 PHI 66 66 1 58 ARG N 1 58 ARG CA 1 58 ARG C 1 59 ALA N 1.0 -73.25 -13.25 PSI 67 67 1 58 ARG C 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1.0 -90.63 -30.63 PHI 68 68 1 59 ALA N 1 59 ALA CA 1 59 ALA C 1 60 ARG N 1.0 -69.35 -9.35 PSI 69 69 1 59 ALA C 1 60 ARG N 1 60 ARG CA 1 60 ARG C 1.0 -93.86 -33.86 PHI 70 70 1 60 ARG N 1 60 ARG CA 1 60 ARG C 1 61 VAL N 1.0 -70.56 -10.56 PSI 71 71 1 60 ARG C 1 61 VAL N 1 61 VAL CA 1 61 VAL C 1.0 -94.57 -34.57 PHI 72 72 1 61 VAL N 1 61 VAL CA 1 61 VAL C 1 62 ASP N 1.0 -76.91 -16.91 PSI 73 73 1 61 VAL C 1 62 ASP N 1 62 ASP CA 1 62 ASP C 1.0 -88.30 -28.30 PHI 74 74 1 62 ASP N 1 62 ASP CA 1 62 ASP C 1 63 ASP N 1.0 -77.23 -17.23 PSI 75 75 1 62 ASP C 1 63 ASP N 1 63 ASP CA 1 63 ASP C 1.0 -89.65 -29.65 PHI 76 76 1 63 ASP N 1 63 ASP CA 1 63 ASP C 1 64 ALA N 1.0 -72.89 -12.89 PSI 77 77 1 63 ASP C 1 64 ALA N 1 64 ALA CA 1 64 ALA C 1.0 -95.92 -35.92 PHI 78 78 1 64 ALA N 1 64 ALA CA 1 64 ALA C 1 65 ILE N 1.0 -70.29 -10.29 PSI 79 79 1 64 ALA C 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1.0 -94.69 -34.69 PHI 80 80 1 65 ILE N 1 65 ILE CA 1 65 ILE C 1 66 ARG N 1.0 -74.51 -14.51 PSI 81 81 1 65 ILE C 1 66 ARG N 1 66 ARG CA 1 66 ARG C 1.0 -89.05 -29.05 PHI 82 82 1 66 ARG N 1 66 ARG CA 1 66 ARG C 1 67 GLU N 1.0 -69.52 -9.52 PSI 83 83 1 66 ARG C 1 67 GLU N 1 67 GLU CA 1 67 GLU C 1.0 -93.60 -33.60 PHI 84 84 1 67 GLU N 1 67 GLU CA 1 67 GLU C 1 68 GLY N 1.0 -75.46 -15.46 PSI 85 85 1 67 GLU C 1 68 GLY N 1 68 GLY CA 1 68 GLY C 1.0 -91.92 -31.92 PHI 86 86 1 68 GLY N 1 68 GLY CA 1 68 GLY C 1 69 LEU N 1.0 -63.98 -3.98 PSI 87 87 1 68 GLY C 1 69 LEU N 1 69 LEU CA 1 69 LEU C 1.0 -96.03 -36.03 PHI 88 88 1 69 LEU N 1 69 LEU CA 1 69 LEU C 1 70 LYS N 1.0 -66.42 -6.42 PSI 89 89 1 69 LEU C 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1.0 -87.94 -27.94 PHI 90 90 1 70 LYS N 1 70 LYS CA 1 70 LYS C 1 71 ALA N 1.0 -74.52 -14.52 PSI 91 91 1 70 LYS C 1 71 ALA N 1 71 ALA CA 1 71 ALA C 1.0 -99.37 -39.37 PHI 92 92 1 71 ALA N 1 71 ALA CA 1 71 ALA C 1 72 LEU N 1.0 -64.78 -4.78 PSI 93 93 1 71 ALA C 1 72 LEU N 1 72 LEU CA 1 72 LEU C 1.0 -129.43 -69.43 PHI 94 94 1 72 LEU N 1 72 LEU CA 1 72 LEU C 1 73 GLY N 1.0 -31.92 28.08 PSI 95 95 1 72 LEU C 1 73 GLY N 1 73 GLY CA 1 73 GLY C 1.0 36.05 124.29 PHI 96 96 1 73 GLY N 1 73 GLY CA 1 73 GLY C 1 74 TYR N 1.0 -12.73 47.27 PSI 97 97 1 73 GLY C 1 74 TYR N 1 74 TYR CA 1 74 TYR C 1.0 -121.32 -55.14 PHI 98 98 1 74 TYR N 1 74 TYR CA 1 74 TYR C 1 75 TYR N 1.0 100.40 170.70 PSI 99 99 1 75 TYR C 1 76 GLN N 1 76 GLN CA 1 76 GLN C 1.0 -166.99 -47.39 PHI 100 100 1 76 GLN N 1 76 GLN CA 1 76 GLN C 1 77 PRO N 1.0 55.26 189.94 PSI 101 101 1 76 GLN C 1 77 PRO N 1 77 PRO CA 1 77 PRO C 1.0 -102.62 -42.62 PHI 102 102 1 77 PRO N 1 77 PRO CA 1 77 PRO C 1 78 THR N 1.0 127.76 187.76 PSI 103 103 1 77 PRO C 1 78 THR N 1 78 THR CA 1 78 THR C 1.0 -180.97 -47.95 PHI 104 104 1 78 THR N 1 78 THR CA 1 78 THR C 1 79 ILE N 1.0 104.33 181.67 PSI 105 105 1 78 THR C 1 79 ILE N 1 79 ILE CA 1 79 ILE C 1.0 -164.04 -72.86 PHI 106 106 1 79 ILE N 1 79 ILE CA 1 79 ILE C 1 80 GLU N 1.0 102.22 162.22 PSI 107 107 1 79 ILE C 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1.0 -163.39 -95.05 PHI 108 108 1 80 GLU N 1 80 GLU CA 1 80 GLU C 1 81 PHE N 1.0 105.01 178.05 PSI 109 109 1 80 GLU C 1 81 PHE N 1 81 PHE CA 1 81 PHE C 1.0 -155.32 -65.10 PHI 110 110 1 81 PHE N 1 81 PHE CA 1 81 PHE C 1 82 ASP N 1.0 106.23 166.23 PSI 111 111 1 81 PHE C 1 82 ASP N 1 82 ASP CA 1 82 ASP C 1.0 -177.99 -87.63 PHI 112 112 1 82 ASP N 1 82 ASP CA 1 82 ASP C 1 83 LEU N 1.0 94.87 168.29 PSI 113 113 1 82 ASP C 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1.0 -137.36 -65.10 PHI 114 114 1 83 LEU N 1 83 LEU CA 1 83 LEU C 1 84 ARG N 1.0 81.52 160.72 PSI 115 115 1 86 PRO C 1 87 PRO N 1 87 PRO CA 1 87 PRO C 1.0 -92.67 -32.67 PHI 116 116 1 87 PRO N 1 87 PRO CA 1 87 PRO C 1 88 LYS N 1.0 116.71 176.71 PSI 117 117 1 87 PRO C 1 88 LYS N 1 88 LYS CA 1 88 LYS C 1.0 -96.26 -36.26 PHI 118 118 1 88 LYS N 1 88 LYS CA 1 88 LYS C 1 89 LYS N 1.0 -52.09 7.91 PSI 119 119 1 88 LYS C 1 89 LYS N 1 89 LYS CA 1 89 LYS C 1.0 -129.55 -64.25 PHI 120 120 1 89 LYS N 1 89 LYS CA 1 89 LYS C 1 90 GLY N 1.0 -55.74 31.60 PSI 121 121 1 90 GLY C 1 91 ARG N 1 91 ARG CA 1 91 ARG C 1.0 -180.00 0.00 PHI 122 122 1 91 ARG C 1 92 GLN N 1 92 GLN CA 1 92 GLN C 1.0 -147.16 -58.34 PHI 123 123 1 92 GLN N 1 92 GLN CA 1 92 GLN C 1 93 VAL N 1.0 82.90 169.36 PSI 124 124 1 92 GLN C 1 93 VAL N 1 93 VAL CA 1 93 VAL C 1.0 -145.59 -75.45 PHI 125 125 1 93 VAL N 1 93 VAL CA 1 93 VAL C 1 94 LEU N 1.0 102.70 162.70 PSI 126 126 1 93 VAL C 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1.0 -135.74 -75.74 PHI 127 127 1 94 LEU N 1 94 LEU CA 1 94 LEU C 1 95 ILE N 1.0 91.07 155.51 PSI 128 128 1 94 LEU C 1 95 ILE N 1 95 ILE CA 1 95 ILE C 1.0 -133.14 -73.14 PHI 129 129 1 95 ILE N 1 95 ILE CA 1 95 ILE C 1 96 ALA N 1.0 92.83 152.83 PSI 130 130 1 95 ILE C 1 96 ALA N 1 96 ALA CA 1 96 ALA C 1.0 -144.22 -76.60 PHI 131 131 1 96 ALA N 1 96 ALA CA 1 96 ALA C 1 97 LYS N 1.0 79.55 168.71 PSI 132 132 1 96 ALA C 1 97 LYS N 1 97 LYS CA 1 97 LYS C 1.0 -132.85 -66.13 PHI 133 133 1 97 LYS N 1 97 LYS CA 1 97 LYS C 1 98 VAL N 1.0 88.94 148.94 PSI 134 134 1 97 LYS C 1 98 VAL N 1 98 VAL CA 1 98 VAL C 1.0 -139.39 -79.39 PHI 135 135 1 98 VAL N 1 98 VAL CA 1 98 VAL C 1 99 THR N 1.0 93.31 153.31 PSI 136 136 1 98 VAL C 1 99 THR N 1 99 THR CA 1 99 THR C 1.0 -158.34 -55.54 PHI 137 137 1 99 THR N 1 99 THR CA 1 99 THR C 1 100 PRO N 1.0 81.43 188.81 PSI 138 138 1 101 GLY C 1 102 VAL N 1 102 VAL CA 1 102 VAL C 1.0 -115.46 -55.46 PHI 139 139 1 102 VAL N 1 102 VAL CA 1 102 VAL C 1 103 LEU N 1.0 108.66 168.66 PSI 140 140 1 102 VAL C 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1.0 -140.72 -55.22 PHI 141 141 1 103 LEU N 1 103 LEU CA 1 103 LEU C 1 104 GLU N 1.0 95.57 174.47 PSI 142 142 1 103 LEU C 1 104 GLU N 1 104 GLU CA 1 104 GLU C 1.0 -125.07 -43.39 PHI 143 143 1 104 GLU N 1 104 GLU CA 1 104 GLU C 1 105 HIS N 1.0 110.09 170.09 PSI stop_ save_