data_nef_c34346_6qbl 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6QBL stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 57 CYS SG 1 87 CYS SG 1 64 CYS SG 1 82 CYS SG 1 68 CYS SG 1 88 CYS SG 1 1 PCA C 1 2 ALA N 1 92 ARG C 1 93 AAR N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 PCA start -OXT . 2 A 2 ALA middle -H2 . 3 A 3 GLN middle . . 4 A 4 ALA middle . . 5 A 5 LEU middle . . 6 A 6 LEU middle . . 7 A 7 PRO middle . false 8 A 8 ILE middle . . 9 A 9 ALA middle . . 10 A 10 SER middle . . 11 A 11 TYR middle . . 12 A 12 ALA middle . . 13 A 13 GLY middle . false 14 A 14 LEU middle . . 15 A 15 THR middle . . 16 A 16 VAL middle . . 17 A 17 SER middle . . 18 A 18 ALA middle . . 19 A 19 PRO middle . false 20 A 20 VAL middle . . 21 A 21 PHE middle . . 22 A 22 ALA middle . . 23 A 23 ALA middle . . 24 A 24 LEU middle . . 25 A 25 VAL middle . . 26 A 26 THR middle . . 27 A 27 VAL middle . . 28 A 28 TYR middle . . 29 A 29 GLY middle . false 30 A 30 ALA middle . . 31 A 31 TYR middle . . 32 A 32 ALA middle . . 33 A 33 LEU middle . . 34 A 34 TYR middle . . 35 A 35 ARG middle . . 36 A 36 TYR middle . . 37 A 37 ASN middle . . 38 A 38 ILE middle . . 39 A 39 ARG middle . . 40 A 40 ARG middle . . 41 A 41 ARG middle . . 42 A 42 GLU middle . . 43 A 43 ASN middle . . 44 A 44 SER middle . . 45 A 45 TYR middle . . 46 A 46 GLN middle . . 47 A 47 ARG middle . . 48 A 48 ILE middle . . 49 A 49 ARG middle . . 50 A 50 SER middle . . 51 A 51 ASP middle . . 52 A 52 HIS middle . . 53 A 53 ASP middle . . 54 A 54 SER middle . . 55 A 55 HIS middle . . 56 A 56 SER middle . . 57 A 57 CYS middle -HG . 58 A 58 ALA middle . . 59 A 59 ASN middle . . 60 A 60 ASN middle . . 61 A 61 ARG middle . . 62 A 62 GLY middle . false 63 A 63 TRP middle . . 64 A 64 CYS middle -HG . 65 A 65 ARG middle . . 66 A 66 PRO middle . false 67 A 67 THR middle . . 68 A 68 CYS middle -HG . 69 A 69 PHE middle . . 70 A 70 SER middle . . 71 A 71 HIS middle . . 72 A 72 GLU middle . . 73 A 73 TYR middle . . 74 A 74 THR middle . . 75 A 75 ASP middle . . 76 A 76 TRP middle . . 77 A 77 PHE middle . . 78 A 78 ASN middle . . 79 A 79 ASN middle . . 80 A 80 ASP middle . . 81 A 81 VAL middle . . 82 A 82 CYS middle -HG . 83 A 83 GLY middle . false 84 A 84 SER middle . . 85 A 85 TYR middle . . 86 A 86 ARG middle . . 87 A 87 CYS middle -HG . 88 A 88 CYS middle -HG . 89 A 89 ARG middle . . 90 A 90 PRO middle . false 91 A 91 GLY middle . false 92 A 92 ARG middle -OXT . 93 A 93 AAR end -H2 . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 PCA HA H 1 4.341 0.000 A 1 PCA HB2 H 1 2.052 0.000 A 1 PCA HB3 H 1 2.512 0.000 A 1 PCA HG2 H 1 2.400 0.000 A 1 PCA HG3 H 1 2.401 0.000 A 1 PCA CA C 13 56.898 0.000 A 1 PCA CB C 13 25.208 0.000 A 1 PCA N N 15 125.394 0.000 A 2 ALA H H 1 8.422 0.000 A 2 ALA HA H 1 4.276 0.000 A 2 ALA HB% H 1 1.358 0.000 A 2 ALA CA C 13 50.108 0.000 A 2 ALA CB C 13 16.952 0.000 A 2 ALA N N 15 124.148 0.000 A 3 GLN H H 1 8.386 0.000 A 3 GLN HA H 1 4.280 0.000 A 3 GLN HB2 H 1 1.945 0.000 A 3 GLN HB3 H 1 2.053 0.000 A 3 GLN HE21 H 1 6.815 0.000 A 3 GLN HE22 H 1 7.555 0.000 A 3 GLN HG2 H 1 2.319 0.000 A 3 GLN HG3 H 1 2.319 0.000 A 3 GLN CA C 13 53.061 0.000 A 3 GLN CB C 13 26.999 0.000 A 3 GLN N N 15 119.350 0.000 A 4 ALA H H 1 8.284 0.000 A 4 ALA HA H 1 4.309 0.000 A 4 ALA HB% H 1 1.338 0.000 A 4 ALA CA C 13 49.589 0.000 A 4 ALA CB C 13 16.464 0.000 A 4 ALA N N 15 125.832 0.000 A 5 LEU H H 1 8.145 0.000 A 5 LEU HA H 1 4.478 0.000 A 5 LEU HB2 H 1 1.629 0.000 A 5 LEU HB3 H 1 1.786 0.000 A 5 LEU HD1% H 1 0.862 0.000 A 5 LEU HD2% H 1 0.863 0.000 A 5 LEU HG H 1 1.630 0.000 A 5 LEU CA C 13 52.031 0.000 A 5 LEU CB C 13 41.171 0.000 A 5 LEU N N 15 122.036 0.000 A 6 LEU H H 1 8.241 0.000 A 6 LEU HA H 1 4.534 0.000 A 6 LEU HB2 H 1 1.688 0.000 A 6 LEU HB3 H 1 1.424 0.000 A 6 LEU HD1% H 1 0.821 0.000 A 6 LEU HD2% H 1 0.635 0.000 A 6 LEU HG H 1 1.327 0.000 A 6 LEU CA C 13 50.998 0.000 A 6 LEU CB C 13 36.686 0.000 A 6 LEU N N 15 124.584 0.000 A 7 PRO HA H 1 4.441 0.000 A 7 PRO HB2 H 1 2.369 0.000 A 7 PRO HB3 H 1 1.740 0.000 A 7 PRO HD2 H 1 3.495 0.000 A 7 PRO HD3 H 1 3.751 0.000 A 7 PRO HG2 H 1 2.052 0.000 A 7 PRO HG3 H 1 1.956 0.000 A 7 PRO CA C 13 60.575 0.000 A 7 PRO CB C 13 28.747 0.000 A 8 ILE H H 1 7.008 0.000 A 8 ILE HA H 1 3.643 0.000 A 8 ILE HB H 1 1.227 0.000 A 8 ILE HD1% H 1 0.245 0.000 A 8 ILE HG12 H 1 0.767 0.000 A 8 ILE HG13 H 1 1.169 0.000 A 8 ILE HG2% H 1 0.245 0.000 A 8 ILE CA C 13 61.727 0.000 A 8 ILE N N 15 122.562 0.000 A 9 ALA H H 1 7.931 0.000 A 9 ALA HA H 1 3.410 0.000 A 9 ALA HB% H 1 1.255 0.000 A 9 ALA CA C 13 51.855 0.000 A 9 ALA CB C 13 15.531 0.000 A 9 ALA N N 15 120.439 0.000 A 10 SER H H 1 7.995 0.000 A 10 SER HA H 1 4.084 0.000 A 10 SER HB2 H 1 3.488 0.000 A 10 SER HB3 H 1 3.488 0.000 A 10 SER CA C 13 58.797 0.000 A 10 SER CB C 13 60.329 0.000 A 10 SER N N 15 112.742 0.000 A 11 TYR H H 1 7.722 0.000 A 11 TYR HA H 1 4.438 0.000 A 11 TYR HB2 H 1 3.155 0.000 A 11 TYR HB3 H 1 2.622 0.000 A 11 TYR HD1 H 1 6.920 0.000 A 11 TYR HD2 H 1 6.920 0.000 A 11 TYR HE1 H 1 6.857 0.000 A 11 TYR HE2 H 1 6.857 0.000 A 11 TYR CA C 13 54.614 0.000 A 11 TYR N N 15 118.660 0.000 A 12 ALA H H 1 6.898 0.000 A 12 ALA HA H 1 4.178 0.000 A 12 ALA HB% H 1 1.544 0.000 A 12 ALA CA C 13 51.408 0.000 A 12 ALA CB C 13 16.654 0.000 A 12 ALA N N 15 119.705 0.000 A 13 GLY H H 1 8.091 0.000 A 13 GLY HA2 H 1 3.982 0.000 A 13 GLY HA3 H 1 4.103 0.000 A 13 GLY CA C 13 43.612 0.000 A 13 GLY N N 15 109.694 0.000 A 14 LEU H H 1 8.180 0.000 A 14 LEU HA H 1 4.640 0.000 A 14 LEU HB2 H 1 1.427 0.000 A 14 LEU HB3 H 1 2.030 0.000 A 14 LEU HD1% H 1 0.962 0.000 A 14 LEU HD2% H 1 0.857 0.000 A 14 LEU HG H 1 1.492 0.000 A 14 LEU CA C 13 50.070 0.000 A 14 LEU CB C 13 40.369 0.000 A 14 LEU N N 15 120.334 0.000 A 15 THR H H 1 8.133 0.000 A 15 THR HA H 1 4.963 0.000 A 15 THR HB H 1 3.941 0.000 A 15 THR HG2% H 1 0.997 0.000 A 15 THR CA C 13 58.565 0.000 A 15 THR CB C 13 66.449 0.000 A 15 THR N N 15 114.885 0.000 A 16 VAL H H 1 8.938 0.000 A 16 VAL HA H 1 4.837 0.000 A 16 VAL HB H 1 2.282 0.000 A 16 VAL HG1% H 1 0.910 0.000 A 16 VAL HG2% H 1 0.917 0.000 A 16 VAL CA C 13 56.162 0.000 A 16 VAL CB C 13 32.778 0.000 A 16 VAL N N 15 119.245 0.000 A 17 SER H H 1 8.681 0.000 A 17 SER HA H 1 4.309 0.000 A 17 SER HB2 H 1 4.099 0.000 A 17 SER HB3 H 1 4.202 0.000 A 17 SER CA C 13 55.174 0.000 A 17 SER CB C 13 61.779 0.000 A 17 SER N N 15 116.650 0.000 A 18 ALA H H 1 9.258 0.000 A 18 ALA HA H 1 4.200 0.000 A 18 ALA HB% H 1 1.581 0.000 A 18 ALA CA C 13 54.643 0.000 A 18 ALA CB C 13 13.149 0.000 A 18 ALA N N 15 123.201 0.000 A 19 PRO HA H 1 4.446 0.000 A 19 PRO HB2 H 1 1.831 0.000 A 19 PRO HB3 H 1 2.373 0.000 A 19 PRO HD2 H 1 3.848 0.000 A 19 PRO HD3 H 1 3.908 0.000 A 19 PRO HG2 H 1 2.017 0.000 A 19 PRO HG3 H 1 2.127 0.000 A 19 PRO CA C 13 63.318 0.000 A 19 PRO CB C 13 28.742 0.000 A 20 VAL H H 1 7.026 0.000 A 20 VAL HA H 1 3.561 0.000 A 20 VAL HB H 1 2.095 0.000 A 20 VAL HG1% H 1 0.976 0.000 A 20 VAL HG2% H 1 0.646 0.000 A 20 VAL CA C 13 63.987 0.000 A 20 VAL CB C 13 29.186 0.000 A 20 VAL N N 15 120.535 0.000 A 21 PHE H H 1 8.835 0.000 A 21 PHE HA H 1 3.563 0.000 A 21 PHE HB2 H 1 3.139 0.000 A 21 PHE HB3 H 1 2.863 0.000 A 21 PHE HD1 H 1 6.850 0.000 A 21 PHE HD2 H 1 6.850 0.000 A 21 PHE HE1 H 1 7.213 0.000 A 21 PHE HE2 H 1 7.213 0.000 A 21 PHE HZ H 1 7.253 0.000 A 21 PHE CB C 13 37.190 0.000 A 21 PHE N N 15 120.928 0.000 A 22 ALA H H 1 8.275 0.000 A 22 ALA HA H 1 4.047 0.000 A 22 ALA HB% H 1 1.516 0.000 A 22 ALA CA C 13 52.206 0.000 A 22 ALA CB C 13 15.619 0.000 A 22 ALA N N 15 117.255 0.000 A 23 ALA H H 1 7.607 0.000 A 23 ALA HA H 1 4.121 0.000 A 23 ALA HB% H 1 1.523 0.000 A 23 ALA CA C 13 52.443 0.000 A 23 ALA CB C 13 16.015 0.000 A 23 ALA N N 15 121.795 0.000 A 24 LEU H H 1 8.461 0.000 A 24 LEU HA H 1 3.994 0.000 A 24 LEU HB2 H 1 1.907 0.000 A 24 LEU HB3 H 1 1.112 0.000 A 24 LEU HD1% H 1 0.173 0.000 A 24 LEU HD2% H 1 0.708 0.000 A 24 LEU HG H 1 1.909 0.000 A 24 LEU CA C 13 55.174 0.000 A 24 LEU CB C 13 40.257 0.000 A 24 LEU N N 15 118.581 0.000 A 25 VAL H H 1 8.505 0.000 A 25 VAL HA H 1 3.092 0.000 A 25 VAL HB H 1 1.968 0.000 A 25 VAL HG1% H 1 0.639 0.000 A 25 VAL HG2% H 1 0.861 0.000 A 25 VAL CA C 13 64.274 0.000 A 25 VAL CB C 13 28.684 0.000 A 25 VAL N N 15 120.867 0.000 A 26 THR H H 1 7.774 0.000 A 26 THR HA H 1 3.816 0.000 A 26 THR HB H 1 4.294 0.000 A 26 THR HG2% H 1 1.210 0.000 A 26 THR CA C 13 64.158 0.000 A 26 THR CB C 13 66.294 0.000 A 26 THR N N 15 116.766 0.000 A 27 VAL H H 1 7.426 0.000 A 27 VAL HA H 1 3.601 0.000 A 27 VAL HB H 1 1.466 0.000 A 27 VAL HG1% H 1 0.833 0.000 A 27 VAL HG2% H 1 -0.006 0.000 A 27 VAL CA C 13 63.210 0.000 A 27 VAL CB C 13 30.654 0.000 A 27 VAL N N 15 119.069 0.000 A 28 TYR H H 1 8.595 0.000 A 28 TYR HA H 1 4.560 0.000 A 28 TYR HB2 H 1 2.650 0.000 A 28 TYR HB3 H 1 3.083 0.000 A 28 TYR HD1 H 1 7.242 0.000 A 28 TYR HD2 H 1 7.242 0.000 A 28 TYR HE1 H 1 6.813 0.000 A 28 TYR HE2 H 1 6.813 0.000 A 28 TYR CA C 13 56.991 0.000 A 28 TYR CB C 13 37.780 0.000 A 28 TYR N N 15 115.363 0.000 A 29 GLY H H 1 7.975 0.000 A 29 GLY HA2 H 1 3.967 0.000 A 29 GLY HA3 H 1 4.479 0.000 A 29 GLY CA C 13 41.715 0.000 A 29 GLY N N 15 109.777 0.000 A 30 ALA H H 1 8.605 0.000 A 30 ALA HA H 1 3.906 0.000 A 30 ALA HB% H 1 1.458 0.000 A 30 ALA CA C 13 52.983 0.000 A 30 ALA CB C 13 15.941 0.000 A 30 ALA N N 15 120.884 0.000 A 31 TYR H H 1 8.527 0.000 A 31 TYR HA H 1 4.290 0.000 A 31 TYR HB2 H 1 3.157 0.000 A 31 TYR HB3 H 1 2.978 0.000 A 31 TYR HD1 H 1 7.112 0.000 A 31 TYR HD2 H 1 7.112 0.000 A 31 TYR HE1 H 1 6.831 0.000 A 31 TYR HE2 H 1 6.831 0.000 A 31 TYR CA C 13 58.523 0.000 A 31 TYR CB C 13 34.862 0.000 A 31 TYR N N 15 118.429 0.000 A 32 ALA H H 1 8.105 0.000 A 32 ALA HA H 1 3.965 0.000 A 32 ALA HB% H 1 1.452 0.000 A 32 ALA CA C 13 52.364 0.000 A 32 ALA CB C 13 15.948 0.000 A 32 ALA N N 15 121.986 0.000 A 33 LEU H H 1 7.007 0.000 A 33 LEU HA H 1 3.899 0.000 A 33 LEU HB2 H 1 1.689 0.000 A 33 LEU HB3 H 1 1.688 0.000 A 33 LEU HD1% H 1 0.339 0.000 A 33 LEU HD2% H 1 0.446 0.000 A 33 LEU HG H 1 1.457 0.000 A 33 LEU CA C 13 56.752 0.000 A 33 LEU CB C 13 37.435 0.000 A 33 LEU N N 15 116.427 0.000 A 34 TYR H H 1 7.492 0.000 A 34 TYR HA H 1 4.434 0.000 A 34 TYR HB2 H 1 3.160 0.000 A 34 TYR HB3 H 1 3.161 0.000 A 34 TYR HD1 H 1 7.025 0.000 A 34 TYR HD2 H 1 7.025 0.000 A 34 TYR HE1 H 1 6.829 0.000 A 34 TYR HE2 H 1 6.829 0.000 A 34 TYR CA C 13 57.866 0.000 A 34 TYR CB C 13 34.861 0.000 A 34 TYR N N 15 118.800 0.000 A 35 ARG H H 1 8.281 0.000 A 35 ARG HA H 1 3.649 0.000 A 35 ARG HB2 H 1 1.664 0.000 A 35 ARG HB3 H 1 1.552 0.000 A 35 ARG HD2 H 1 2.852 0.000 A 35 ARG HD3 H 1 2.937 0.000 A 35 ARG HE H 1 6.969 0.000 A 35 ARG HG2 H 1 1.326 0.000 A 35 ARG HG3 H 1 1.138 0.000 A 35 ARG CA C 13 56.071 0.000 A 35 ARG CB C 13 28.043 0.000 A 35 ARG N N 15 121.573 0.000 A 36 TYR H H 1 7.552 0.000 A 36 TYR HA H 1 4.391 0.000 A 36 TYR HB2 H 1 3.158 0.000 A 36 TYR HB3 H 1 2.524 0.000 A 36 TYR HD1 H 1 7.221 0.000 A 36 TYR HD2 H 1 7.221 0.000 A 36 TYR HE1 H 1 6.711 0.000 A 36 TYR HE2 H 1 6.711 0.000 A 36 TYR CA C 13 56.530 0.000 A 36 TYR CB C 13 35.869 0.000 A 36 TYR N N 15 114.901 0.000 A 37 ASN H H 1 7.961 0.000 A 37 ASN HA H 1 4.284 0.000 A 37 ASN HB2 H 1 3.121 0.000 A 37 ASN HB3 H 1 2.547 0.000 A 37 ASN HD21 H 1 7.566 0.000 A 37 ASN HD22 H 1 6.714 0.000 A 37 ASN CA C 13 51.526 0.000 A 37 ASN CB C 13 34.275 0.000 A 37 ASN N N 15 119.464 0.000 A 38 ILE H H 1 8.138 0.000 A 38 ILE HA H 1 4.645 0.000 A 38 ILE HB H 1 1.524 0.000 A 38 ILE HD1% H 1 0.728 0.000 A 38 ILE HG12 H 1 1.208 0.000 A 38 ILE HG13 H 1 1.516 0.000 A 38 ILE HG2% H 1 0.842 0.000 A 38 ILE CA C 13 58.875 0.000 A 38 ILE CB C 13 36.268 0.000 A 38 ILE N N 15 120.465 0.000 A 39 ARG H H 1 8.372 0.000 A 39 ARG HA H 1 4.824 0.000 A 39 ARG HB2 H 1 1.676 0.000 A 39 ARG HB3 H 1 1.796 0.000 A 39 ARG HD2 H 1 3.110 0.000 A 39 ARG HD3 H 1 3.073 0.000 A 39 ARG HE H 1 6.964 0.000 A 39 ARG HG2 H 1 1.481 0.000 A 39 ARG HG3 H 1 1.570 0.000 A 39 ARG CB C 13 31.093 0.000 A 39 ARG N N 15 116.205 0.000 A 40 ARG H H 1 8.209 0.000 A 40 ARG HA H 1 4.339 0.000 A 40 ARG HB2 H 1 0.249 0.000 A 40 ARG HB3 H 1 1.173 0.000 A 40 ARG HD2 H 1 2.785 0.000 A 40 ARG HD3 H 1 2.634 0.000 A 40 ARG HE H 1 7.103 0.000 A 40 ARG HG2 H 1 1.239 0.000 A 40 ARG HG3 H 1 0.869 0.000 A 40 ARG CA C 13 52.291 0.000 A 40 ARG CB C 13 28.476 0.000 A 40 ARG N N 15 121.315 0.000 A 41 ARG H H 1 8.643 0.000 A 41 ARG HA H 1 3.942 0.000 A 41 ARG HB2 H 1 1.521 0.000 A 41 ARG HB3 H 1 1.523 0.000 A 41 ARG HD2 H 1 3.131 0.000 A 41 ARG HD3 H 1 3.130 0.000 A 41 ARG HE H 1 7.118 0.000 A 41 ARG HG2 H 1 1.659 0.000 A 41 ARG HG3 H 1 1.659 0.000 A 41 ARG CA C 13 54.313 0.000 A 41 ARG CB C 13 28.053 0.000 A 41 ARG N N 15 126.657 0.000 A 42 GLU H H 1 8.602 0.000 A 42 GLU HA H 1 4.314 0.000 A 42 GLU HB2 H 1 2.032 0.000 A 42 GLU HB3 H 1 1.855 0.000 A 42 GLU HG2 H 1 2.281 0.000 A 42 GLU HG3 H 1 2.282 0.000 A 42 GLU CA C 13 53.422 0.000 A 42 GLU CB C 13 27.726 0.000 A 42 GLU N N 15 125.257 0.000 A 43 ASN H H 1 8.567 0.000 A 43 ASN HA H 1 4.664 0.000 A 43 ASN HB2 H 1 2.736 0.000 A 43 ASN HB3 H 1 2.736 0.000 A 43 ASN HD21 H 1 7.589 0.000 A 43 ASN HD22 H 1 6.918 0.000 A 43 ASN CA C 13 56.243 0.000 A 43 ASN CB C 13 36.306 0.000 A 43 ASN N N 15 120.164 0.000 A 44 SER H H 1 8.269 0.000 A 44 SER HA H 1 4.377 0.000 A 44 SER HB2 H 1 3.786 0.000 A 44 SER HB3 H 1 3.811 0.000 A 44 SER CA C 13 55.876 0.000 A 44 SER CB C 13 61.094 0.000 A 44 SER N N 15 115.915 0.000 A 45 TYR H H 1 8.165 0.000 A 45 TYR HA H 1 4.529 0.000 A 45 TYR HB2 H 1 2.965 0.000 A 45 TYR HB3 H 1 3.024 0.000 A 45 TYR HD1 H 1 7.089 0.000 A 45 TYR HD2 H 1 7.089 0.000 A 45 TYR HE1 H 1 6.806 0.000 A 45 TYR HE2 H 1 6.806 0.000 A 45 TYR CA C 13 55.532 0.000 A 45 TYR CB C 13 35.976 0.000 A 45 TYR N N 15 122.072 0.000 A 46 GLN H H 1 8.142 0.000 A 46 GLN HA H 1 4.239 0.000 A 46 GLN HB2 H 1 2.012 0.000 A 46 GLN HB3 H 1 1.906 0.000 A 46 GLN HE21 H 1 6.856 0.000 A 46 GLN HE22 H 1 7.489 0.000 A 46 GLN HG2 H 1 2.272 0.000 A 46 GLN HG3 H 1 2.272 0.000 A 46 GLN CA C 13 53.164 0.000 A 46 GLN CB C 13 27.026 0.000 A 46 GLN N N 15 122.042 0.000 A 47 ARG H H 1 8.262 0.000 A 47 ARG HA H 1 4.267 0.000 A 47 ARG HB2 H 1 1.753 0.000 A 47 ARG HB3 H 1 1.828 0.000 A 47 ARG HD2 H 1 3.203 0.000 A 47 ARG HD3 H 1 3.203 0.000 A 47 ARG HE H 1 7.223 0.000 A 47 ARG HG2 H 1 1.629 0.000 A 47 ARG HG3 H 1 1.603 0.000 A 47 ARG CA C 13 53.712 0.000 A 47 ARG CB C 13 28.126 0.000 A 47 ARG N N 15 122.630 0.000 A 48 ILE H H 1 8.157 0.000 A 48 ILE HA H 1 4.148 0.000 A 48 ILE HB H 1 1.848 0.000 A 48 ILE HD1% H 1 0.841 0.000 A 48 ILE HG12 H 1 1.475 0.000 A 48 ILE HG13 H 1 1.189 0.000 A 48 ILE HG2% H 1 0.891 0.000 A 48 ILE CA C 13 58.541 0.000 A 48 ILE CB C 13 36.098 0.000 A 48 ILE N N 15 122.060 0.000 A 49 ARG H H 1 8.453 0.000 A 49 ARG HA H 1 4.377 0.000 A 49 ARG HB2 H 1 1.786 0.000 A 49 ARG HB3 H 1 1.883 0.000 A 49 ARG HD2 H 1 3.203 0.000 A 49 ARG HD3 H 1 3.203 0.000 A 49 ARG HE H 1 7.353 0.000 A 49 ARG HG2 H 1 1.607 0.000 A 49 ARG HG3 H 1 1.657 0.000 A 49 ARG CA C 13 53.615 0.000 A 49 ARG CB C 13 28.310 0.000 A 49 ARG N N 15 125.428 0.000 A 50 SER H H 1 8.396 0.000 A 50 SER HA H 1 4.443 0.000 A 50 SER HB2 H 1 3.855 0.000 A 50 SER HB3 H 1 3.801 0.000 A 50 SER CA C 13 55.656 0.000 A 50 SER CB C 13 61.162 0.000 A 50 SER N N 15 117.471 0.000 A 51 ASP H H 1 8.471 0.000 A 51 ASP HA H 1 4.657 0.000 A 51 ASP HB2 H 1 2.702 0.000 A 51 ASP HB3 H 1 2.841 0.000 A 51 ASP CA C 13 51.430 0.000 A 51 ASP CB C 13 38.042 0.000 A 51 ASP N N 15 122.489 0.000 A 52 HIS H H 1 8.473 0.000 A 52 HIS HA H 1 4.392 0.000 A 52 HIS HB2 H 1 3.245 0.000 A 52 HIS HB3 H 1 3.179 0.000 A 52 HIS HD1 H 1 8.554 0.000 A 52 HIS HD2 H 1 7.308 0.000 A 52 HIS CA C 13 54.889 0.000 A 52 HIS CB C 13 25.867 0.000 A 52 HIS N N 15 120.414 0.000 A 53 ASP H H 1 8.098 0.000 A 53 ASP HA H 1 4.426 0.000 A 53 ASP HB2 H 1 2.428 0.000 A 53 ASP HB3 H 1 1.395 0.000 A 53 ASP CA C 13 52.558 0.000 A 53 ASP CB C 13 37.967 0.000 A 53 ASP N N 15 117.731 0.000 A 54 SER H H 1 7.428 0.000 A 54 SER HA H 1 4.479 0.000 A 54 SER HB2 H 1 3.973 0.000 A 54 SER HB3 H 1 4.391 0.000 A 54 SER CA C 13 54.481 0.000 A 54 SER CB C 13 60.020 0.000 A 54 SER N N 15 112.108 0.000 A 55 HIS H H 1 6.667 0.000 A 55 HIS HA H 1 4.215 0.000 A 55 HIS HB2 H 1 3.366 0.000 A 55 HIS HB3 H 1 3.038 0.000 A 55 HIS HD1 H 1 8.221 0.000 A 55 HIS HD2 H 1 7.352 0.000 A 55 HIS CA C 13 52.524 0.000 A 55 HIS CB C 13 26.565 0.000 A 55 HIS N N 15 120.282 0.000 A 56 SER H H 1 8.443 0.000 A 56 SER HA H 1 4.218 0.000 A 56 SER HB2 H 1 4.068 0.000 A 56 SER HB3 H 1 4.014 0.000 A 56 SER CA C 13 55.707 0.000 A 56 SER CB C 13 62.748 0.000 A 56 SER N N 15 114.888 0.000 A 57 CYS H H 1 7.856 0.000 A 57 CYS HA H 1 4.827 0.000 A 57 CYS HB2 H 1 3.583 0.000 A 57 CYS HB3 H 1 2.744 0.000 A 57 CYS CA C 13 52.906 0.000 A 57 CYS CB C 13 48.517 0.000 A 57 CYS N N 15 113.972 0.000 A 58 ALA H H 1 9.236 0.000 A 58 ALA HA H 1 3.838 0.000 A 58 ALA HB% H 1 1.286 0.000 A 58 ALA CA C 13 49.730 0.000 A 58 ALA CB C 13 14.491 0.000 A 58 ALA N N 15 120.337 0.000 A 59 ASN H H 1 8.729 0.000 A 59 ASN HA H 1 4.216 0.000 A 59 ASN HB2 H 1 2.638 0.000 A 59 ASN HB3 H 1 3.027 0.000 A 59 ASN HD21 H 1 7.494 0.000 A 59 ASN HD22 H 1 6.896 0.000 A 59 ASN CA C 13 50.876 0.000 A 59 ASN CB C 13 34.174 0.000 A 59 ASN N N 15 118.374 0.000 A 60 ASN H H 1 8.364 0.000 A 60 ASN HA H 1 4.220 0.000 A 60 ASN HB2 H 1 3.198 0.000 A 60 ASN HB3 H 1 3.004 0.000 A 60 ASN HD21 H 1 7.582 0.000 A 60 ASN HD22 H 1 6.921 0.000 A 60 ASN CA C 13 51.708 0.000 A 60 ASN CB C 13 34.939 0.000 A 60 ASN N N 15 110.338 0.000 A 61 ARG H H 1 7.731 0.000 A 61 ARG HA H 1 4.625 0.000 A 61 ARG HB2 H 1 1.946 0.000 A 61 ARG HB3 H 1 2.118 0.000 A 61 ARG HD2 H 1 3.325 0.000 A 61 ARG HD3 H 1 3.195 0.000 A 61 ARG HE H 1 7.136 0.000 A 61 ARG HG2 H 1 1.770 0.000 A 61 ARG HG3 H 1 1.859 0.000 A 61 ARG CA C 13 53.683 0.000 A 61 ARG CB C 13 28.450 0.000 A 61 ARG N N 15 116.057 0.000 A 62 GLY H H 1 8.211 0.000 A 62 GLY HA2 H 1 4.809 0.000 A 62 GLY HA3 H 1 3.413 0.000 A 62 GLY CA C 13 42.078 0.000 A 62 GLY N N 15 106.112 0.000 A 63 TRP H H 1 9.030 0.000 A 63 TRP HA H 1 4.561 0.000 A 63 TRP HB2 H 1 2.767 0.000 A 63 TRP HB3 H 1 2.935 0.000 A 63 TRP HD1 H 1 6.930 0.000 A 63 TRP HE1 H 1 9.587 0.000 A 63 TRP HE3 H 1 7.383 0.000 A 63 TRP HH2 H 1 7.201 0.000 A 63 TRP HZ2 H 1 7.577 0.000 A 63 TRP HZ3 H 1 7.287 0.000 A 63 TRP CA C 13 54.372 0.000 A 63 TRP CB C 13 30.656 0.000 A 63 TRP N N 15 123.282 0.000 A 64 CYS H H 1 7.955 0.000 A 64 CYS HA H 1 5.621 0.000 A 64 CYS HB2 H 1 2.801 0.000 A 64 CYS HB3 H 1 3.058 0.000 A 64 CYS CA C 13 50.485 0.000 A 64 CYS CB C 13 34.704 0.000 A 64 CYS N N 15 126.307 0.000 A 65 ARG H H 1 9.375 0.000 A 65 ARG HA H 1 4.611 0.000 A 65 ARG HB2 H 1 1.395 0.000 A 65 ARG HB3 H 1 1.221 0.000 A 65 ARG HD2 H 1 2.428 0.000 A 65 ARG HD3 H 1 2.428 0.000 A 65 ARG HE H 1 8.732 0.000 A 65 ARG HG2 H 1 1.720 0.000 A 65 ARG HG3 H 1 1.720 0.000 A 65 ARG CA C 13 50.550 0.000 A 65 ARG CB C 13 30.800 0.000 A 65 ARG N N 15 122.366 0.000 A 66 PRO HA H 1 3.794 0.000 A 66 PRO HB2 H 1 2.063 0.000 A 66 PRO HB3 H 1 1.854 0.000 A 66 PRO HD2 H 1 2.454 0.000 A 66 PRO HD3 H 1 3.432 0.000 A 66 PRO HG2 H 1 1.596 0.000 A 66 PRO HG3 H 1 1.964 0.000 A 66 PRO CA C 13 62.302 0.000 A 66 PRO CB C 13 28.333 0.000 A 67 THR H H 1 6.393 0.000 A 67 THR HA H 1 4.032 0.000 A 67 THR HB H 1 3.792 0.000 A 67 THR HG2% H 1 1.157 0.000 A 67 THR CA C 13 58.048 0.000 A 67 THR CB C 13 68.929 0.000 A 67 THR N N 15 107.125 0.000 A 68 CYS H H 1 8.630 0.000 A 68 CYS HA H 1 4.656 0.000 A 68 CYS HB2 H 1 2.480 0.000 A 68 CYS HB3 H 1 3.175 0.000 A 68 CYS CA C 13 50.752 0.000 A 68 CYS CB C 13 31.566 0.000 A 68 CYS N N 15 122.062 0.000 A 69 PHE H H 1 8.681 0.000 A 69 PHE HA H 1 4.900 0.000 A 69 PHE HB2 H 1 3.488 0.000 A 69 PHE HB3 H 1 2.564 0.000 A 69 PHE HD1 H 1 7.093 0.000 A 69 PHE HD2 H 1 7.093 0.000 A 69 PHE HE1 H 1 7.243 0.000 A 69 PHE HE2 H 1 7.243 0.000 A 69 PHE HZ H 1 7.179 0.000 A 69 PHE CA C 13 52.087 0.000 A 69 PHE CB C 13 35.972 0.000 A 69 PHE N N 15 121.237 0.000 A 70 SER H H 1 8.665 0.000 A 70 SER HA H 1 4.184 0.000 A 70 SER HB2 H 1 3.802 0.000 A 70 SER HB3 H 1 3.802 0.000 A 70 SER CA C 13 58.572 0.000 A 70 SER CB C 13 60.389 0.000 A 70 SER N N 15 114.525 0.000 A 71 HIS H H 1 8.372 0.000 A 71 HIS HA H 1 4.823 0.000 A 71 HIS HB2 H 1 3.420 0.000 A 71 HIS HB3 H 1 3.490 0.000 A 71 HIS HD2 H 1 7.260 0.000 A 71 HIS HE1 H 1 8.469 0.000 A 71 HIS CA C 13 52.906 0.000 A 71 HIS CB C 13 24.666 0.000 A 71 HIS N N 15 125.202 0.000 A 72 GLU H H 1 7.668 0.000 A 72 GLU HA H 1 5.208 0.000 A 72 GLU HB2 H 1 1.586 0.000 A 72 GLU HB3 H 1 2.242 0.000 A 72 GLU HG2 H 1 1.839 0.000 A 72 GLU HG3 H 1 2.090 0.000 A 72 GLU CA C 13 52.049 0.000 A 72 GLU CB C 13 31.389 0.000 A 72 GLU N N 15 118.579 0.000 A 73 TYR H H 1 9.159 0.000 A 73 TYR HA H 1 5.027 0.000 A 73 TYR HB2 H 1 3.093 0.000 A 73 TYR HB3 H 1 2.854 0.000 A 73 TYR HD1 H 1 6.822 0.000 A 73 TYR HD2 H 1 6.822 0.000 A 73 TYR HE1 H 1 6.584 0.000 A 73 TYR HE2 H 1 6.584 0.000 A 73 TYR CA C 13 52.463 0.000 A 73 TYR CB C 13 38.763 0.000 A 73 TYR N N 15 117.895 0.000 A 74 THR H H 1 8.420 0.000 A 74 THR HA H 1 4.203 0.000 A 74 THR HB H 1 3.522 0.000 A 74 THR HG2% H 1 -0.182 0.000 A 74 THR CA C 13 60.082 0.000 A 74 THR CB C 13 66.548 0.000 A 74 THR N N 15 116.775 0.000 A 75 ASP H H 1 9.025 0.000 A 75 ASP HA H 1 4.795 0.000 A 75 ASP HB2 H 1 2.015 0.000 A 75 ASP HB3 H 1 2.484 0.000 A 75 ASP CB C 13 37.757 0.000 A 75 ASP N N 15 128.814 0.000 A 76 TRP H H 1 7.467 0.000 A 76 TRP HA H 1 4.126 0.000 A 76 TRP HB2 H 1 3.328 0.000 A 76 TRP HB3 H 1 2.895 0.000 A 76 TRP HD1 H 1 7.384 0.000 A 76 TRP HE1 H 1 10.206 0.000 A 76 TRP HE3 H 1 7.538 0.000 A 76 TRP HH2 H 1 7.185 0.000 A 76 TRP HZ2 H 1 7.508 0.000 A 76 TRP HZ3 H 1 7.094 0.000 A 76 TRP CA C 13 56.737 0.000 A 76 TRP CB C 13 26.734 0.000 A 76 TRP N N 15 123.122 0.000 A 77 PHE H H 1 8.220 0.000 A 77 PHE HA H 1 4.432 0.000 A 77 PHE HB2 H 1 3.161 0.000 A 77 PHE HB3 H 1 3.163 0.000 A 77 PHE HD1 H 1 7.348 0.000 A 77 PHE HD2 H 1 7.348 0.000 A 77 PHE HE1 H 1 7.429 0.000 A 77 PHE HE2 H 1 7.429 0.000 A 77 PHE HZ H 1 7.429 0.000 A 77 PHE CA C 13 57.273 0.000 A 77 PHE CB C 13 36.393 0.000 A 77 PHE N N 15 117.785 0.000 A 78 ASN H H 1 7.625 0.000 A 78 ASN HA H 1 5.090 0.000 A 78 ASN HB2 H 1 2.275 0.000 A 78 ASN HB3 H 1 3.185 0.000 A 78 ASN HD21 H 1 9.199 0.000 A 78 ASN HD22 H 1 7.094 0.000 A 78 ASN CA C 13 50.747 0.000 A 78 ASN CB C 13 38.442 0.000 A 78 ASN N N 15 115.848 0.000 A 78 ASN ND2 N 15 119.166 0.000 A 79 ASN H H 1 7.468 0.000 A 79 ASN HA H 1 4.284 0.000 A 79 ASN HB2 H 1 2.894 0.000 A 79 ASN HB3 H 1 2.958 0.000 A 79 ASN HD21 H 1 5.628 0.000 A 79 ASN HD22 H 1 7.798 0.000 A 79 ASN CB C 13 36.589 0.000 A 79 ASN N N 15 116.996 0.000 A 80 ASP H H 1 8.556 0.000 A 80 ASP HA H 1 4.372 0.000 A 80 ASP HB2 H 1 2.804 0.000 A 80 ASP HB3 H 1 2.804 0.000 A 80 ASP CA C 13 54.267 0.000 A 80 ASP CB C 13 36.368 0.000 A 80 ASP N N 15 119.032 0.000 A 81 VAL H H 1 7.317 0.000 A 81 VAL HA H 1 4.343 0.000 A 81 VAL HB H 1 2.427 0.000 A 81 VAL HG1% H 1 1.016 0.000 A 81 VAL HG2% H 1 1.068 0.000 A 81 VAL CA C 13 59.719 0.000 A 81 VAL CB C 13 29.237 0.000 A 81 VAL N N 15 112.537 0.000 A 82 CYS H H 1 7.877 0.000 A 82 CYS HA H 1 4.740 0.000 A 82 CYS HB2 H 1 2.826 0.000 A 82 CYS HB3 H 1 2.598 0.000 A 82 CYS N N 15 116.964 0.000 A 83 GLY H H 1 7.913 0.000 A 83 GLY HA2 H 1 3.955 0.000 A 83 GLY HA3 H 1 3.625 0.000 A 83 GLY CA C 13 45.143 0.000 A 83 GLY N N 15 110.678 0.000 A 84 SER H H 1 8.719 0.000 A 84 SER HA H 1 4.478 0.000 A 84 SER HB2 H 1 3.912 0.000 A 84 SER HB3 H 1 3.912 0.000 A 84 SER CA C 13 57.049 0.000 A 84 SER CB C 13 61.233 0.000 A 84 SER N N 15 124.563 0.000 A 85 TYR H H 1 7.881 0.000 A 85 TYR HA H 1 4.738 0.000 A 85 TYR HB2 H 1 2.935 0.000 A 85 TYR HB3 H 1 3.229 0.000 A 85 TYR HD1 H 1 6.617 0.000 A 85 TYR HD2 H 1 6.617 0.000 A 85 TYR HE1 H 1 6.735 0.000 A 85 TYR HE2 H 1 6.735 0.000 A 85 TYR CB C 13 34.918 0.000 A 85 TYR N N 15 123.729 0.000 A 86 ARG H H 1 8.524 0.000 A 86 ARG HA H 1 4.505 0.000 A 86 ARG HB2 H 1 1.382 0.000 A 86 ARG HB3 H 1 1.382 0.000 A 86 ARG HD2 H 1 2.908 0.000 A 86 ARG HD3 H 1 2.908 0.000 A 86 ARG HE H 1 7.007 0.000 A 86 ARG HG2 H 1 1.383 0.000 A 86 ARG HG3 H 1 1.465 0.000 A 86 ARG CA C 13 50.884 0.000 A 86 ARG CB C 13 30.200 0.000 A 86 ARG N N 15 116.325 0.000 A 87 CYS H H 1 8.742 0.000 A 87 CYS HA H 1 4.623 0.000 A 87 CYS HB2 H 1 2.933 0.000 A 87 CYS HB3 H 1 2.817 0.000 A 87 CYS CA C 13 51.791 0.000 A 87 CYS CB C 13 35.930 0.000 A 87 CYS N N 15 118.184 0.000 A 88 CYS H H 1 8.529 0.000 A 88 CYS HA H 1 5.055 0.000 A 88 CYS HB2 H 1 2.739 0.000 A 88 CYS HB3 H 1 2.807 0.000 A 88 CYS CA C 13 51.224 0.000 A 88 CYS CB C 13 38.110 0.000 A 88 CYS N N 15 129.768 0.000 A 89 ARG H H 1 8.883 0.000 A 89 ARG HA H 1 4.926 0.000 A 89 ARG HB2 H 1 1.747 0.000 A 89 ARG HB3 H 1 0.529 0.000 A 89 ARG HD2 H 1 2.881 0.000 A 89 ARG HD3 H 1 2.881 0.000 A 89 ARG HE H 1 7.160 0.000 A 89 ARG HG2 H 1 1.382 0.000 A 89 ARG HG3 H 1 1.382 0.000 A 89 ARG CA C 13 49.969 0.000 A 89 ARG CB C 13 29.998 0.000 A 89 ARG N N 15 125.121 0.000 A 90 PRO HA H 1 4.657 0.000 A 90 PRO HB2 H 1 2.474 0.000 A 90 PRO HB3 H 1 2.096 0.000 A 90 PRO HD2 H 1 4.118 0.000 A 90 PRO HD3 H 1 3.830 0.000 A 90 PRO HG2 H 1 2.260 0.000 A 90 PRO HG3 H 1 2.175 0.000 A 90 PRO CA C 13 60.738 0.000 A 90 PRO CB C 13 29.945 0.000 A 91 GLY H H 1 8.623 0.000 A 91 GLY HA2 H 1 4.040 0.000 A 91 GLY HA3 H 1 4.211 0.000 A 91 GLY CA C 13 42.500 0.000 A 91 GLY N N 15 109.907 0.000 A 92 ARG H H 1 8.279 0.000 A 92 ARG HA H 1 4.365 0.000 A 92 ARG HB2 H 1 1.687 0.000 A 92 ARG HB3 H 1 1.788 0.000 A 92 ARG HD2 H 1 3.171 0.000 A 92 ARG HD3 H 1 3.171 0.000 A 92 ARG HE H 1 7.136 0.000 A 92 ARG HG2 H 1 1.610 0.000 A 92 ARG HG3 H 1 1.610 0.000 A 92 ARG CA C 13 53.047 0.000 A 92 ARG CB C 13 28.957 0.000 A 92 ARG N N 15 120.305 0.000 A 93 AAR H H 1 8.343 0.000 A 93 AAR HA H 1 3.965 0.000 A 93 AAR HB2 H 1 1.561 0.000 A 93 AAR HB3 H 1 1.707 0.000 A 93 AAR HD2 H 1 3.157 0.000 A 93 AAR HD3 H 1 3.157 0.000 A 93 AAR HE H 1 7.196 0.000 A 93 AAR HG2 H 1 1.512 0.000 A 93 AAR HG3 H 1 1.512 0.000 A 93 AAR CA C 13 53.473 0.000 A 93 AAR CB C 13 28.120 0.000 A 93 AAR N N 15 123.462 0.000 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 undefined _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 65 ARG H A 65 ARG HE 1.0 1.998 6.216 2 1 A 65 ARG H A 87 CYS H 1.0 1.998 6.216 3 2 A 65 ARG H A 86 ARG H 1.0 1.786 3.598 4 2 A 65 ARG H A 88 CYS H 1.0 1.786 3.598 5 3 A 88 CYS H A 75 ASP H 1.0 1.850 3.960 6 3 A 88 CYS H A 63 TRP H 1.0 1.850 3.960 7 4 A 87 CYS H A 86 ARG H 1.0 1.941 4.677 8 4 A 87 CYS H A 88 CYS H 1.0 1.941 4.677 9 5 A 60 ASN H A 62 GLY H 1.0 1.945 4.731 10 5 A 39 ARG H A 40 ARG H 1.0 1.945 4.731 11 6 A 39 ARG H A 38 ILE H 1.0 1.976 5.140 12 6 A 39 ARG H A 15 THR H 1.0 1.976 5.140 13 7 A 77 PHE H A 77 PHE HD2 1.0 1.828 3.826 14 7 A 77 PHE H A 77 PHE HD1 1.0 1.828 3.826 15 7 A 55 HIS HD1 A 55 HIS HD2 1.0 1.828 3.826 16 8 A 38 ILE H A 36 TYR HD1 1.0 1.981 5.235 17 8 A 38 ILE H A 21 PHE HE1 1.0 1.981 5.235 18 8 A 38 ILE H A 21 PHE HE2 1.0 1.981 5.235 19 8 A 38 ILE H A 36 TYR HD2 1.0 1.981 5.235 20 9 A 24 LEU H A 28 TYR HD2 1.0 1.916 4.442 21 9 A 24 LEU H A 28 TYR HD1 1.0 1.916 4.442 22 9 A 71 HIS HE1 A 69 PHE HE2 1.0 1.916 4.442 23 9 A 71 HIS HE1 A 69 PHE HE1 1.0 1.916 4.442 24 10 A 65 ARG HE A 69 PHE HD1 1.0 1.932 4.600 25 10 A 65 ARG HE A 69 PHE HD2 1.0 1.932 4.600 26 10 A 59 ASN H A 78 ASN HD22 1.0 1.932 4.600 27 11 A 31 TYR H A 33 LEU H 1.0 1.899 4.303 28 11 A 86 ARG H A 86 ARG HE 1.0 1.899 4.303 29 12 A 17 SER H A 11 TYR HE2 1.0 1.995 5.615 30 12 A 17 SER H A 11 TYR HE1 1.0 1.995 5.615 31 12 A 17 SER H A 21 PHE HD2 1.0 1.995 5.615 32 12 A 17 SER H A 21 PHE HD1 1.0 1.995 5.615 33 13 A 31 TYR H A 31 TYR HE2 1.0 0.000 6.000 34 13 A 31 TYR H A 31 TYR HE1 1.0 0.000 6.000 35 13 A 88 CYS H A 73 TYR HD1 1.0 0.000 6.000 36 13 A 88 CYS H A 73 TYR HD2 1.0 0.000 6.000 37 14 A 24 LEU H A 21 PHE HD1 1.0 1.979 5.207 38 14 A 24 LEU H A 21 PHE HD2 1.0 1.979 5.207 39 14 A 24 LEU H A 11 TYR HE2 1.0 1.979 5.207 40 14 A 24 LEU H A 11 TYR HE1 1.0 1.979 5.207 41 15 A 22 ALA H A 40 ARG HE 1.0 1.979 5.207 42 15 A 35 ARG H A 31 TYR HD1 1.0 1.979 5.207 43 15 A 35 ARG H A 31 TYR HD2 1.0 1.979 5.207 44 16 A 40 ARG H A 40 ARG HE 1.0 1.989 5.405 45 16 A 77 PHE H A 78 ASN HD22 1.0 1.989 5.405 46 17 A 14 LEU H A 11 TYR HD2 1.0 1.966 4.994 47 17 A 14 LEU H A 11 TYR HD1 1.0 1.966 4.994 48 17 A 14 LEU H A 12 ALA H 1.0 1.966 4.994 49 18 A 60 ASN H A 60 ASN HD21 1.0 2.000 5.918 50 18 A 39 ARG H A 11 TYR HD2 1.0 2.000 5.918 51 18 A 39 ARG H A 11 TYR HD1 1.0 2.000 5.918 52 19 A 11 TYR HE2 A 5 LEU H 1.0 1.979 5.203 53 19 A 11 TYR HE1 A 5 LEU H 1.0 1.979 5.203 54 19 A 38 ILE H A 21 PHE HD2 1.0 1.979 5.203 55 19 A 38 ILE H A 21 PHE HD1 1.0 1.979 5.203 56 20 A 15 THR H A 11 TYR HD2 1.0 1.998 6.252 57 20 A 15 THR H A 11 TYR HD1 1.0 1.998 6.252 58 20 A 38 ILE H A 11 TYR HD2 1.0 1.998 6.252 59 20 A 38 ILE H A 11 TYR HD1 1.0 1.998 6.252 60 21 A 37 ASN H A 37 ASN HD22 1.0 0.000 6.000 61 21 A 37 ASN H A 36 TYR HE1 1.0 0.000 6.000 62 21 A 37 ASN H A 36 TYR HE2 1.0 0.000 6.000 63 22 A 43 ASN HD22 A 43 ASN HD21 1.0 1.173 1.683 64 22 A 60 ASN HD21 A 60 ASN HD22 1.0 1.173 1.683 65 23 A 87 CYS H A 79 ASN HD22 1.0 1.961 4.921 66 23 A 87 CYS H A 64 CYS HA 1.0 1.961 4.921 67 24 A 64 CYS HA A 82 CYS H 1.0 1.999 6.157 68 24 A 64 CYS HA A 85 TYR H 1.0 1.999 6.157 69 25 A 79 ASN HD22 A 76 TRP H 1.0 1.985 5.333 70 25 A 79 ASN HD22 A 79 ASN H 1.0 1.985 5.333 71 26 A 64 CYS HA A 63 TRP HE3 1.0 2.000 5.930 72 26 A 79 ASN HD22 A 76 TRP HD1 1.0 2.000 5.930 73 27 A 65 ARG H A 65 ARG HA 1.0 1.813 3.743 74 27 A 65 ARG H A 87 CYS HA 1.0 1.813 3.743 75 28 A 89 ARG H A 62 GLY HA2 1.0 2.000 6.042 76 28 A 89 ARG H A 75 ASP HA 1.0 2.000 6.042 77 29 A 63 TRP H A 87 CYS HA 1.0 1.978 5.184 78 29 A 75 ASP H A 87 CYS HA 1.0 1.978 5.184 79 30 A 16 VAL H A 14 LEU HA 1.0 1.969 5.039 80 30 A 16 VAL H A 38 ILE HA 1.0 1.969 5.039 81 31 A 71 HIS H A 71 HIS HA 1.0 1.706 3.228 82 31 A 39 ARG H A 39 ARG HA 1.0 1.706 3.228 83 32 A 62 GLY H A 62 GLY HA2 1.0 1.535 2.607 84 32 A 40 ARG H A 39 ARG HA 1.0 1.535 2.607 85 33 A 51 ASP HA A 51 ASP H 1.0 1.573 2.731 86 33 A 52 HIS H A 51 ASP HA 1.0 1.573 2.731 87 34 A 18 ALA H A 18 ALA HA 1.0 1.587 2.779 88 34 A 18 ALA H A 17 SER HB3 1.0 1.587 2.779 89 35 A 73 TYR H A 91 GLY HA3 1.0 1.996 5.636 90 35 A 73 TYR H A 74 THR HA 1.0 1.996 5.636 91 36 A 24 LEU H A 3 GLN HA 1.0 0.000 6.000 92 36 A 24 LEU H A 2 ALA HA 1.0 0.000 6.000 93 37 A 2 ALA HA A 3 GLN H 1.0 1.518 2.556 94 37 A 3 GLN HA A 3 GLN H 1.0 1.518 2.556 95 38 A 92 ARG H A 92 ARG HA 1.0 1.638 2.958 96 38 A 44 SER H A 44 SER HA 1.0 1.638 2.958 97 39 A 70 SER H A 70 SER HB2 1.0 1.627 2.917 98 39 A 70 SER H A 70 SER HB3 1.0 1.627 2.917 99 40 A 71 HIS H A 70 SER HB2 1.0 1.911 4.403 100 40 A 71 HIS H A 70 SER HB3 1.0 1.911 4.403 101 41 A 62 GLY H A 90 PRO HD3 1.0 1.994 5.564 102 41 A 62 GLY H A 58 ALA HA 1.0 1.994 5.564 103 42 A 38 ILE H A 39 ARG HA 1.0 1.998 5.736 104 42 A 15 THR H A 16 VAL HA 1.0 1.998 5.736 105 43 A 14 LEU H A 38 ILE HA 1.0 1.668 3.074 106 43 A 14 LEU H A 14 LEU HA 1.0 1.668 3.074 107 44 A 15 THR H A 14 LEU HA 1.0 1.518 2.554 108 44 A 38 ILE H A 38 ILE HA 1.0 1.518 2.554 109 45 A 91 GLY HA3 A 92 ARG H 1.0 1.690 3.160 110 45 A 22 ALA H A 18 ALA HA 1.0 1.690 3.160 111 46 A 10 SER H A 11 TYR HA 1.0 1.897 4.291 112 46 A 10 SER H A 7 PRO HA 1.0 1.897 4.291 113 47 A 85 TYR H A 85 TYR HA 1.0 1.723 3.301 114 47 A 82 CYS H A 82 CYS HA 1.0 1.723 3.301 115 48 A 61 ARG H A 57 CYS HA 1.0 1.999 5.803 116 48 A 62 GLY HA2 A 61 ARG H 1.0 1.999 5.803 117 49 A 72 GLU H A 68 CYS HA 1.0 1.963 4.945 118 49 A 72 GLU H A 90 PRO HA 1.0 1.963 4.945 119 50 A 23 ALA H A 19 PRO HA 1.0 1.859 4.019 120 50 A 78 ASN H A 77 PHE HA 1.0 1.859 4.019 121 51 A 39 ARG HA A 21 PHE HZ 1.0 1.784 3.590 122 51 A 71 HIS HA A 71 HIS HD2 1.0 1.784 3.590 123 52 A 39 ARG HA A 34 TYR HD2 1.0 1.998 5.732 124 52 A 39 ARG HA A 34 TYR HD1 1.0 1.998 5.732 125 52 A 16 VAL HA A 20 VAL H 1.0 1.998 5.732 126 53 A 14 LEU HA A 37 ASN HD21 1.0 1.994 6.454 127 53 A 38 ILE HA A 37 ASN HD21 1.0 1.994 6.454 128 54 A 37 ASN HD21 A 37 ASN HA 1.0 1.844 3.926 129 54 A 3 GLN HA A 3 GLN HE21 1.0 1.844 3.926 130 55 A 76 TRP H A 76 TRP HA 1.0 1.688 3.154 131 55 A 79 ASN H A 76 TRP HA 1.0 1.688 3.154 132 56 A 37 ASN HD21 A 13 GLY HA2 1.0 1.648 2.998 133 56 A 63 TRP HZ2 A 54 SER HB3 1.0 1.648 2.998 134 57 A 34 TYR H A 33 LEU HA 1.0 1.811 3.729 135 57 A 34 TYR H A 30 ALA HA 1.0 1.811 3.729 136 58 A 70 SER HB2 A 72 GLU H 1.0 1.989 5.421 137 58 A 70 SER HB3 A 72 GLU H 1.0 1.989 5.421 138 59 A 68 CYS HA A 71 HIS HD2 1.0 1.950 4.784 139 59 A 90 PRO HA A 71 HIS HD2 1.0 1.950 4.784 140 60 A 63 TRP HZ3 A 56 SER HA 1.0 1.809 3.721 141 60 A 63 TRP HZ3 A 55 HIS HA 1.0 1.809 3.721 142 61 A 38 ILE HA A 39 ARG HE 1.0 1.999 5.857 143 61 A 14 LEU HA A 39 ARG HE 1.0 1.999 5.857 144 62 A 45 TYR HE1 A 43 ASN HA 1.0 1.967 5.003 145 62 A 73 TYR HD1 A 90 PRO HA 1.0 1.967 5.003 146 62 A 73 TYR HD2 A 90 PRO HA 1.0 1.967 5.003 147 62 A 43 ASN HA A 45 TYR HE2 1.0 1.967 5.003 148 63 A 18 ALA HA A 20 VAL H 1.0 1.913 4.423 149 63 A 17 SER HB3 A 20 VAL H 1.0 1.913 4.423 150 64 A 31 TYR HE2 A 31 TYR HA 1.0 0.000 6.000 151 64 A 31 TYR HE1 A 31 TYR HA 1.0 0.000 6.000 152 64 A 31 TYR HA A 34 TYR HE2 1.0 0.000 6.000 153 64 A 34 TYR HE1 A 31 TYR HA 1.0 0.000 6.000 154 65 A 73 TYR HD2 A 74 THR HA 1.0 1.810 3.726 155 65 A 73 TYR HD1 A 74 THR HA 1.0 1.810 3.726 156 65 A 73 TYR HD1 A 91 GLY HA3 1.0 1.810 3.726 157 65 A 73 TYR HD2 A 91 GLY HA3 1.0 1.810 3.726 158 66 A 21 PHE HD2 A 30 ALA HA 1.0 1.993 5.535 159 66 A 21 PHE HD2 A 33 LEU HA 1.0 1.993 5.535 160 66 A 21 PHE HD1 A 30 ALA HA 1.0 1.993 5.535 161 66 A 11 TYR HE2 A 33 LEU HA 1.0 1.993 5.535 162 66 A 11 TYR HE1 A 33 LEU HA 1.0 1.993 5.535 163 66 A 21 PHE HD1 A 33 LEU HA 1.0 1.993 5.535 164 67 A 85 TYR HD1 A 84 SER HB2 1.0 1.956 4.858 165 67 A 85 TYR HD2 A 84 SER HB2 1.0 1.956 4.858 166 67 A 84 SER HB3 A 85 TYR HD1 1.0 1.956 4.858 167 67 A 85 TYR HD2 A 84 SER HB3 1.0 1.956 4.858 168 68 A 21 PHE HE1 A 30 ALA HA 1.0 1.836 3.870 169 68 A 21 PHE HE2 A 30 ALA HA 1.0 1.836 3.870 170 68 A 36 TYR HD1 A 33 LEU HA 1.0 1.836 3.870 171 68 A 36 TYR HD2 A 33 LEU HA 1.0 1.836 3.870 172 69 A 70 SER HB2 A 71 HIS HD2 1.0 0.000 6.000 173 69 A 70 SER HB3 A 71 HIS HD2 1.0 0.000 6.000 174 70 A 67 THR H A 66 PRO HA 1.0 1.776 3.550 175 70 A 67 THR H A 67 THR HB 1.0 1.776 3.550 176 71 A 18 ALA H A 21 PHE HB2 1.0 1.958 4.890 177 71 A 18 ALA H A 41 ARG HD3 1.0 1.958 4.890 178 72 A 75 ASP H A 68 CYS HB3 1.0 0.000 6.000 179 72 A 75 ASP H A 77 PHE HB2 1.0 0.000 6.000 180 73 A 16 VAL H A 21 PHE HB2 1.0 1.993 5.565 181 73 A 16 VAL H A 41 ARG HD2 1.0 1.993 5.565 182 74 A 63 TRP HE1 A 65 ARG HD2 1.0 1.993 6.473 183 74 A 63 TRP HE1 A 65 ARG HD3 1.0 1.993 6.473 184 75 A 73 TYR H A 90 PRO HB2 1.0 1.996 5.658 185 75 A 73 TYR H A 68 CYS HB2 1.0 1.996 5.658 186 76 A 21 PHE H A 20 VAL HA 1.0 1.636 2.952 187 76 A 21 PHE H A 21 PHE HA 1.0 1.636 2.952 188 77 A 17 SER H A 21 PHE HA 1.0 1.999 5.807 189 77 A 17 SER H A 20 VAL HA 1.0 1.999 5.807 190 78 A 24 LEU H A 21 PHE HA 1.0 1.773 3.531 191 78 A 24 LEU H A 20 VAL HA 1.0 1.773 3.531 192 79 A 71 HIS HE1 A 69 PHE HB2 1.0 1.955 4.837 193 79 A 71 HIS HE1 A 71 HIS HB3 1.0 1.955 4.837 194 80 A 6 LEU H A 10 SER HB2 1.0 0.000 6.000 195 80 A 6 LEU H A 10 SER HB3 1.0 0.000 6.000 196 80 A 6 LEU H A 7 PRO HD2 1.0 0.000 6.000 197 81 A 59 ASN H A 60 ASN HB2 1.0 1.964 4.954 198 81 A 59 ASN H A 78 ASN HB2 1.0 1.964 4.954 199 82 A 41 ARG HD2 A 41 ARG H 1.0 1.920 4.472 200 82 A 41 ARG HD3 A 41 ARG H 1.0 1.920 4.472 201 83 A 28 TYR H A 28 TYR HB2 1.0 1.707 3.229 202 83 A 30 ALA H A 25 VAL HA 1.0 1.707 3.229 203 84 A 50 SER H A 49 ARG HD3 1.0 1.988 5.398 204 84 A 50 SER H A 49 ARG HD2 1.0 1.988 5.398 205 85 A 68 CYS H A 86 ARG HD3 1.0 1.827 3.819 206 85 A 68 CYS H A 86 ARG HD2 1.0 1.827 3.819 207 86 A 82 CYS H A 83 GLY HA3 1.0 1.911 4.401 208 86 A 85 TYR H A 83 GLY HA3 1.0 1.911 4.401 209 87 A 10 SER H A 10 SER HB3 1.0 1.573 2.729 210 87 A 10 SER H A 10 SER HB2 1.0 1.573 2.729 211 88 A 10 SER HB3 A 9 ALA H 1.0 1.991 5.487 212 88 A 10 SER HB2 A 9 ALA H 1.0 1.991 5.487 213 89 A 10 SER HB2 A 11 TYR H 1.0 1.824 3.804 214 89 A 10 SER HB3 A 11 TYR H 1.0 1.824 3.804 215 90 A 77 PHE H A 77 PHE HB2 1.0 1.586 2.774 216 90 A 77 PHE H A 77 PHE HB3 1.0 1.586 2.774 217 91 A 35 ARG H A 34 TYR HB3 1.0 0.000 6.000 218 91 A 35 ARG H A 34 TYR HB2 1.0 0.000 6.000 219 92 A 15 THR H A 11 TYR HB3 1.0 1.896 4.274 220 92 A 38 ILE H A 36 TYR HB3 1.0 1.896 4.274 221 93 A 10 SER H A 11 TYR HB3 1.0 0.000 6.000 222 93 A 10 SER H A 36 TYR HB3 1.0 0.000 6.000 223 94 A 44 SER H A 45 TYR HB2 1.0 2.000 6.026 224 94 A 47 ARG H A 45 TYR HB2 1.0 2.000 6.026 225 95 A 92 ARG H A 73 TYR HB3 1.0 1.731 3.333 226 95 A 22 ALA H A 21 PHE HB3 1.0 1.731 3.333 227 96 A 36 TYR HD1 A 35 ARG HA 1.0 1.937 4.639 228 96 A 36 TYR HD2 A 35 ARG HA 1.0 1.937 4.639 229 96 A 28 TYR HD2 A 8 ILE HA 1.0 1.937 4.639 230 96 A 28 TYR HD1 A 8 ILE HA 1.0 1.937 4.639 231 96 A 36 TYR HD2 A 8 ILE HA 1.0 1.937 4.639 232 96 A 36 TYR HD1 A 8 ILE HA 1.0 1.937 4.639 233 97 A 71 HIS HD2 A 69 PHE HB2 1.0 1.830 3.840 234 97 A 71 HIS HD2 A 71 HIS HB3 1.0 1.830 3.840 235 98 A 82 CYS H A 64 CYS HB2 1.0 2.000 6.016 236 98 A 85 TYR H A 64 CYS HB2 1.0 2.000 6.016 237 99 A 34 TYR H A 34 TYR HB2 1.0 1.523 2.571 238 99 A 34 TYR H A 34 TYR HB3 1.0 1.523 2.571 239 100 A 76 TRP H A 77 PHE HB3 1.0 1.888 4.226 240 100 A 76 TRP H A 77 PHE HB2 1.0 1.888 4.226 241 100 A 79 ASN H A 77 PHE HB2 1.0 1.888 4.226 242 101 A 52 HIS HD2 A 52 HIS HB2 1.0 1.838 3.882 243 101 A 78 ASN HB2 A 81 VAL H 1.0 1.838 3.882 244 102 A 77 PHE HD2 A 77 PHE HB3 1.0 1.639 2.963 245 102 A 77 PHE HD1 A 77 PHE HB3 1.0 1.639 2.963 246 102 A 77 PHE HD2 A 77 PHE HB2 1.0 1.639 2.963 247 102 A 77 PHE HD1 A 77 PHE HB2 1.0 1.639 2.963 248 103 A 49 ARG HD3 A 49 ARG HE 1.0 1.724 3.306 249 103 A 49 ARG HD2 A 49 ARG HE 1.0 1.724 3.306 250 104 A 45 TYR H A 43 ASN HB3 1.0 1.966 5.000 251 104 A 45 TYR H A 43 ASN HB2 1.0 1.966 5.000 252 105 A 55 HIS HD1 A 57 CYS HB2 1.0 1.965 4.969 253 105 A 62 GLY H A 57 CYS HB2 1.0 1.965 4.969 254 106 A 44 SER H A 43 ASN HB2 1.0 0.000 6.000 255 106 A 44 SER H A 43 ASN HB3 1.0 0.000 6.000 256 107 A 80 ASP H A 80 ASP HB2 1.0 1.660 3.042 257 107 A 80 ASP H A 80 ASP HB3 1.0 1.660 3.042 258 108 A 43 ASN HB3 A 43 ASN H 1.0 1.657 3.029 259 108 A 43 ASN HB2 A 43 ASN H 1.0 1.657 3.029 260 109 A 40 ARG H A 40 ARG HD2 1.0 1.966 4.994 261 109 A 62 GLY H A 59 ASN HB2 1.0 1.966 4.994 262 110 A 65 ARG HE A 65 ARG HD3 1.0 1.734 3.350 263 110 A 65 ARG HE A 65 ARG HD2 1.0 1.734 3.350 264 111 A 65 ARG HD3 A 69 PHE H 1.0 1.932 4.600 265 111 A 65 ARG HD2 A 69 PHE H 1.0 1.932 4.600 266 112 A 52 HIS HD1 A 53 ASP HB2 1.0 1.992 5.488 267 112 A 80 ASP H A 81 VAL HB 1.0 1.992 5.488 268 113 A 41 ARG H A 42 GLU HG2 1.0 1.987 5.367 269 113 A 41 ARG H A 16 VAL HB 1.0 1.987 5.367 270 114 A 43 ASN H A 42 GLU HG2 1.0 1.860 4.022 271 114 A 43 ASN H A 42 GLU HG3 1.0 1.860 4.022 272 115 A 91 GLY H A 72 GLU HG3 1.0 1.845 3.925 273 115 A 91 GLY H A 90 PRO HB3 1.0 1.845 3.925 274 116 A 63 TRP HE1 A 65 ARG HG3 1.0 1.992 5.496 275 116 A 63 TRP HE1 A 65 ARG HG2 1.0 1.992 5.496 276 117 A 65 ARG H A 65 ARG HG2 1.0 1.965 4.981 277 117 A 65 ARG H A 65 ARG HG3 1.0 1.965 4.981 278 118 A 18 ALA H A 41 ARG HG2 1.0 1.983 5.295 279 118 A 18 ALA H A 41 ARG HG3 1.0 1.983 5.295 280 119 A 75 ASP H A 86 ARG HB2 1.0 1.943 4.705 281 119 A 75 ASP H A 89 ARG HG2 1.0 1.943 4.705 282 119 A 75 ASP H A 89 ARG HG3 1.0 1.943 4.705 283 119 A 63 TRP H A 89 ARG HG3 1.0 1.943 4.705 284 120 A 63 TRP H A 58 ALA HB% 1.0 0.000 6.000 285 120 A 75 ASP H A 58 ALA HB% 1.0 0.000 6.000 286 121 A 65 ARG HE A 65 ARG HG3 1.0 1.957 4.867 287 121 A 65 ARG HE A 65 ARG HG2 1.0 1.957 4.867 288 122 A 91 GLY H A 72 GLU HG2 1.0 0.000 6.000 289 122 A 68 CYS H A 72 GLU HG2 1.0 0.000 6.000 290 123 A 3 GLN H A 3 GLN HG2 1.0 1.864 4.048 291 123 A 3 GLN H A 3 GLN HG3 1.0 1.864 4.048 292 124 A 3 GLN HG3 A 4 ALA H 1.0 1.958 4.880 293 124 A 3 GLN HG2 A 4 ALA H 1.0 1.958 4.880 294 125 A 47 ARG H A 46 GLN HG3 1.0 1.880 4.160 295 125 A 47 ARG H A 46 GLN HG2 1.0 1.880 4.160 296 126 A 46 GLN HG3 A 46 GLN H 1.0 1.784 3.584 297 126 A 46 GLN HG2 A 46 GLN H 1.0 1.784 3.584 298 127 A 46 GLN HG2 A 48 ILE H 1.0 1.921 4.489 299 127 A 46 GLN HG3 A 48 ILE H 1.0 1.921 4.489 300 128 A 46 GLN H A 46 GLN HB2 1.0 1.711 3.249 301 128 A 15 THR H A 14 LEU HB3 1.0 1.711 3.249 302 129 A 41 ARG H A 41 ARG HG2 1.0 1.677 3.109 303 129 A 41 ARG H A 41 ARG HG3 1.0 1.677 3.109 304 130 A 41 ARG HG3 A 42 GLU H 1.0 1.855 3.997 305 130 A 41 ARG HG2 A 42 GLU H 1.0 1.855 3.997 306 131 A 25 VAL H A 33 LEU HB3 1.0 0.000 6.000 307 131 A 25 VAL H A 33 LEU HB2 1.0 0.000 6.000 308 132 A 88 CYS H A 65 ARG HG3 1.0 1.997 5.701 309 132 A 88 CYS H A 65 ARG HG2 1.0 1.997 5.701 310 132 A 86 ARG H A 65 ARG HG2 1.0 1.997 5.701 311 133 A 25 VAL H A 23 ALA HB% 1.0 0.000 6.000 312 133 A 25 VAL H A 22 ALA HB% 1.0 0.000 6.000 313 134 A 43 ASN H A 41 ARG HB2 1.0 0.000 6.000 314 134 A 43 ASN H A 41 ARG HB3 1.0 0.000 6.000 315 135 A 41 ARG H A 41 ARG HB2 1.0 0.000 6.000 316 135 A 41 ARG H A 41 ARG HB3 1.0 0.000 6.000 317 136 A 17 SER H A 41 ARG HB3 1.0 1.997 5.677 318 136 A 17 SER H A 41 ARG HB2 1.0 1.997 5.677 319 137 A 16 VAL H A 38 ILE HB 1.0 1.966 4.996 320 137 A 16 VAL H A 41 ARG HB2 1.0 1.966 4.996 321 138 A 21 PHE H A 22 ALA HB% 1.0 1.862 4.040 322 138 A 21 PHE H A 23 ALA HB% 1.0 1.862 4.040 323 139 A 48 ILE H A 47 ARG HG2 1.0 0.000 6.000 324 139 A 5 LEU H A 5 LEU HG 1.0 0.000 6.000 325 140 A 72 GLU H A 90 PRO HB2 1.0 1.987 5.377 326 140 A 72 GLU H A 68 CYS HB2 1.0 1.987 5.377 327 141 A 78 ASN H A 76 TRP HB2 1.0 1.954 4.836 328 141 A 78 ASN H A 79 ASN HB3 1.0 1.954 4.836 329 142 A 79 ASN H A 79 ASN HB3 1.0 1.606 2.842 330 142 A 76 TRP H A 76 TRP HB2 1.0 1.606 2.842 331 143 A 79 ASN H A 80 ASP HB3 1.0 1.997 5.733 332 143 A 79 ASN H A 80 ASP HB2 1.0 1.997 5.733 333 144 A 43 ASN HD22 A 43 ASN HB2 1.0 1.680 3.120 334 144 A 43 ASN HD22 A 43 ASN HB3 1.0 1.680 3.120 335 145 A 85 TYR H A 82 CYS HB3 1.0 1.761 3.475 336 145 A 82 CYS H A 82 CYS HB3 1.0 1.761 3.475 337 146 A 81 VAL H A 80 ASP HB3 1.0 1.876 4.130 338 146 A 81 VAL H A 80 ASP HB2 1.0 1.876 4.130 339 147 A 78 ASN HD22 A 78 ASN HB2 1.0 1.807 3.711 340 147 A 78 ASN HD22 A 77 PHE HB2 1.0 1.807 3.711 341 148 A 34 TYR HD1 A 34 TYR HB2 1.0 1.517 2.553 342 148 A 34 TYR HD2 A 34 TYR HB2 1.0 1.517 2.553 343 148 A 34 TYR HD2 A 34 TYR HB3 1.0 1.517 2.553 344 148 A 34 TYR HD1 A 34 TYR HB3 1.0 1.517 2.553 345 149 A 34 TYR HE1 A 35 ARG HA 1.0 1.858 4.012 346 149 A 34 TYR HE2 A 35 ARG HA 1.0 1.858 4.012 347 149 A 8 ILE HA A 28 TYR HE1 1.0 1.858 4.012 348 149 A 8 ILE HA A 28 TYR HE2 1.0 1.858 4.012 349 150 A 36 TYR HE1 A 8 ILE HA 1.0 1.971 5.079 350 150 A 36 TYR HE2 A 8 ILE HA 1.0 1.971 5.079 351 150 A 36 TYR HE1 A 35 ARG HA 1.0 1.971 5.079 352 150 A 36 TYR HE2 A 35 ARG HA 1.0 1.971 5.079 353 151 A 11 TYR HE1 A 10 SER HB3 1.0 1.818 3.768 354 151 A 11 TYR HE2 A 10 SER HB3 1.0 1.818 3.768 355 151 A 11 TYR HE2 A 10 SER HB2 1.0 1.818 3.768 356 151 A 11 TYR HE1 A 10 SER HB2 1.0 1.818 3.768 357 152 A 11 TYR HD1 A 10 SER HB3 1.0 1.842 3.912 358 152 A 11 TYR HD2 A 10 SER HB3 1.0 1.842 3.912 359 152 A 11 TYR HD2 A 10 SER HB2 1.0 1.842 3.912 360 152 A 11 TYR HD1 A 10 SER HB2 1.0 1.842 3.912 361 153 A 12 ALA H A 10 SER HB3 1.0 1.979 5.215 362 153 A 12 ALA H A 10 SER HB2 1.0 1.979 5.215 363 154 A 21 PHE HE1 A 21 PHE HB3 1.0 1.879 4.153 364 154 A 21 PHE HE2 A 21 PHE HB3 1.0 1.879 4.153 365 154 A 36 TYR HD1 A 35 ARG HD3 1.0 1.879 4.153 366 154 A 36 TYR HD2 A 35 ARG HD3 1.0 1.879 4.153 367 155 A 89 ARG HE A 89 ARG HD3 1.0 1.841 3.899 368 155 A 89 ARG HE A 89 ARG HD2 1.0 1.841 3.899 369 156 A 86 ARG HE A 86 ARG HD2 1.0 1.700 3.202 370 156 A 86 ARG HE A 86 ARG HD3 1.0 1.700 3.202 371 157 A 20 VAL H A 21 PHE HB3 1.0 1.898 4.292 372 157 A 34 TYR HD2 A 35 ARG HD3 1.0 1.898 4.292 373 157 A 34 TYR HD1 A 35 ARG HD3 1.0 1.898 4.292 374 158 A 12 ALA H A 11 TYR HB3 1.0 1.865 4.053 375 158 A 12 ALA H A 36 TYR HB3 1.0 1.865 4.053 376 159 A 34 TYR HE2 A 34 TYR HB3 1.0 0.000 6.000 377 159 A 34 TYR HE1 A 34 TYR HB2 1.0 0.000 6.000 378 159 A 34 TYR HE1 A 34 TYR HB3 1.0 0.000 6.000 379 159 A 31 TYR HE2 A 31 TYR HB2 1.0 0.000 6.000 380 159 A 31 TYR HE1 A 31 TYR HB2 1.0 0.000 6.000 381 159 A 34 TYR HE2 A 34 TYR HB2 1.0 0.000 6.000 382 160 A 45 TYR HE1 A 47 ARG HD2 1.0 1.989 5.415 383 160 A 45 TYR HE2 A 47 ARG HD3 1.0 1.989 5.415 384 160 A 45 TYR HE1 A 47 ARG HD3 1.0 1.989 5.415 385 160 A 45 TYR HE2 A 47 ARG HD2 1.0 1.989 5.415 386 161 A 78 ASN HD22 A 89 ARG HD3 1.0 1.977 5.157 387 161 A 78 ASN HD22 A 89 ARG HD2 1.0 1.977 5.157 388 162 A 43 ASN HD21 A 43 ASN HB3 1.0 1.824 3.804 389 162 A 43 ASN HD21 A 43 ASN HB2 1.0 1.824 3.804 390 163 A 67 THR H A 86 ARG HD3 1.0 1.997 5.691 391 163 A 67 THR H A 86 ARG HD2 1.0 1.997 5.691 392 164 A 69 PHE HE2 A 65 ARG HD2 1.0 1.896 4.280 393 164 A 69 PHE HE1 A 65 ARG HD2 1.0 1.896 4.280 394 164 A 69 PHE HE2 A 65 ARG HD3 1.0 1.896 4.280 395 164 A 69 PHE HE1 A 65 ARG HD3 1.0 1.896 4.280 396 165 A 65 ARG HD3 A 69 PHE HZ 1.0 1.919 4.471 397 165 A 65 ARG HD2 A 69 PHE HZ 1.0 1.919 4.471 398 166 A 71 HIS HD2 A 90 PRO HB2 1.0 0.000 6.000 399 166 A 71 HIS HD2 A 68 CYS HB2 1.0 0.000 6.000 400 167 A 69 PHE HD1 A 65 ARG HD2 1.0 1.921 4.487 401 167 A 69 PHE HD2 A 65 ARG HD2 1.0 1.921 4.487 402 167 A 69 PHE HD1 A 65 ARG HD3 1.0 1.921 4.487 403 167 A 69 PHE HD2 A 65 ARG HD3 1.0 1.921 4.487 404 168 A 65 ARG HD3 A 63 TRP HD1 1.0 1.888 4.220 405 168 A 65 ARG HD2 A 63 TRP HD1 1.0 1.888 4.220 406 169 A 59 ASN HB2 A 59 ASN HD22 1.0 1.871 4.097 407 169 A 12 ALA H A 11 TYR HB2 1.0 1.871 4.097 408 170 A 3 GLN HE21 A 3 GLN HG3 1.0 1.922 4.498 409 170 A 3 GLN HE21 A 3 GLN HG2 1.0 1.922 4.498 410 171 A 43 ASN HD22 A 42 GLU HG3 1.0 1.994 5.558 411 171 A 43 ASN HD22 A 42 GLU HG2 1.0 1.994 5.558 412 172 A 46 GLN HG2 A 46 GLN HE21 1.0 1.811 3.727 413 172 A 46 GLN HG3 A 46 GLN HE21 1.0 1.811 3.727 414 173 A 79 ASN H A 75 ASP HB2 1.0 1.936 4.630 415 173 A 76 TRP H A 75 ASP HB2 1.0 1.936 4.630 416 174 A 34 TYR H A 33 LEU HB3 1.0 1.723 3.299 417 174 A 34 TYR H A 33 LEU HB2 1.0 1.723 3.299 418 175 A 23 ALA HB% A 26 THR H 1.0 1.877 4.139 419 175 A 22 ALA HB% A 26 THR H 1.0 1.877 4.139 420 176 A 26 THR H A 27 VAL HB 1.0 0.000 6.000 421 176 A 26 THR H A 30 ALA HB% 1.0 0.000 6.000 422 177 A 23 ALA H A 23 ALA HB% 1.0 1.427 2.291 423 177 A 23 ALA H A 22 ALA HB% 1.0 1.427 2.291 424 178 A 34 TYR H A 32 ALA HB% 1.0 0.000 6.000 425 178 A 34 TYR H A 30 ALA HB% 1.0 0.000 6.000 426 179 A 21 PHE HZ A 33 LEU HB2 1.0 1.830 3.836 427 179 A 21 PHE HZ A 33 LEU HB3 1.0 1.830 3.836 428 180 A 41 ARG HG3 A 41 ARG HE 1.0 1.893 4.259 429 180 A 41 ARG HG2 A 41 ARG HE 1.0 1.893 4.259 430 181 A 92 ARG HE A 92 ARG HG3 1.0 1.962 4.932 431 181 A 92 ARG HE A 92 ARG HG2 1.0 1.962 4.932 432 182 A 46 GLN HG3 A 46 GLN HE22 1.0 1.815 3.749 433 182 A 46 GLN HG2 A 46 GLN HE22 1.0 1.815 3.749 434 183 A 73 TYR HE2 A 78 ASN HB3 1.0 2.000 6.016 435 183 A 73 TYR HE1 A 78 ASN HB3 1.0 2.000 6.016 436 183 A 90 PRO HG3 A 73 TYR HE2 1.0 2.000 6.016 437 183 A 73 TYR HE1 A 90 PRO HG3 1.0 2.000 6.016 438 184 A 11 TYR HD1 A 14 LEU HB2 1.0 0.000 6.000 439 184 A 11 TYR HD2 A 14 LEU HB2 1.0 0.000 6.000 440 184 A 11 TYR HD2 A 6 LEU HB2 1.0 0.000 6.000 441 184 A 11 TYR HD1 A 6 LEU HB2 1.0 0.000 6.000 442 185 A 73 TYR HD2 A 92 ARG HG2 1.0 1.945 4.721 443 185 A 73 TYR HD1 A 92 ARG HG2 1.0 1.945 4.721 444 185 A 73 TYR HD1 A 92 ARG HG3 1.0 1.945 4.721 445 185 A 73 TYR HD2 A 92 ARG HG3 1.0 1.945 4.721 446 186 A 36 TYR HE2 A 12 ALA HB% 1.0 1.738 3.364 447 186 A 36 TYR HE1 A 35 ARG HB2 1.0 1.738 3.364 448 186 A 36 TYR HE1 A 12 ALA HB% 1.0 1.738 3.364 449 186 A 36 TYR HE2 A 35 ARG HB2 1.0 1.738 3.364 450 187 A 67 THR H A 65 ARG HG2 1.0 1.997 6.257 451 187 A 67 THR H A 65 ARG HG3 1.0 1.997 6.257 452 188 A 89 ARG HG2 A 73 TYR HE1 1.0 1.946 4.742 453 188 A 89 ARG HG3 A 73 TYR HE2 1.0 1.946 4.742 454 188 A 89 ARG HG3 A 73 TYR HE1 1.0 1.946 4.742 455 188 A 89 ARG HG2 A 73 TYR HE2 1.0 1.946 4.742 456 189 A 78 ASN HD22 A 89 ARG HG3 1.0 1.972 5.078 457 189 A 78 ASN HD22 A 89 ARG HG2 1.0 1.972 5.078 458 190 A 89 ARG HG2 A 89 ARG HE 1.0 1.914 4.426 459 190 A 89 ARG HG3 A 89 ARG HE 1.0 1.914 4.426 460 191 A 76 TRP HH2 A 86 ARG HB3 1.0 1.977 5.173 461 191 A 86 ARG HB2 A 76 TRP HH2 1.0 1.977 5.173 462 192 A 63 TRP HD1 A 65 ARG HB2 1.0 0.000 6.000 463 192 A 11 TYR HD2 A 8 ILE HB 1.0 0.000 6.000 464 192 A 11 TYR HD1 A 8 ILE HB 1.0 0.000 6.000 465 193 A 34 TYR HE1 A 35 ARG HG3 1.0 1.895 4.273 466 193 A 34 TYR HE2 A 35 ARG HG3 1.0 1.895 4.273 467 193 A 31 TYR HE1 A 35 ARG HG3 1.0 1.895 4.273 468 193 A 31 TYR HE2 A 35 ARG HG3 1.0 1.895 4.273 469 194 A 34 TYR HE2 A 35 ARG HG2 1.0 1.888 4.222 470 194 A 34 TYR HE1 A 35 ARG HG2 1.0 1.888 4.222 471 194 A 31 TYR HE1 A 35 ARG HG2 1.0 1.888 4.222 472 194 A 31 TYR HE2 A 35 ARG HG2 1.0 1.888 4.222 473 195 A 40 ARG HE A 40 ARG HB2 1.0 1.848 3.946 474 195 A 69 PHE HD2 A 67 THR HG2% 1.0 1.848 3.946 475 195 A 69 PHE HD1 A 67 THR HG2% 1.0 1.848 3.946 476 196 A 16 VAL H A 16 VAL HG1% 1.0 1.577 2.745 477 196 A 16 VAL H A 16 VAL HG2% 1.0 1.577 2.745 478 197 A 89 ARG H A 89 ARG HG2 1.0 1.947 4.751 479 197 A 89 ARG H A 89 ARG HG3 1.0 1.947 4.751 480 198 A 68 CYS H A 86 ARG HG2 1.0 1.960 4.908 481 198 A 68 CYS H A 86 ARG HB2 1.0 1.960 4.908 482 199 A 86 ARG H A 86 ARG HG3 1.0 1.567 2.711 483 199 A 31 TYR H A 30 ALA HB% 1.0 1.567 2.711 484 200 A 86 ARG H A 65 ARG HB2 1.0 1.978 5.186 485 200 A 88 CYS H A 65 ARG HB2 1.0 1.978 5.186 486 201 A 87 CYS H A 81 VAL HG1% 1.0 1.999 5.833 487 201 A 59 ASN H A 81 VAL HG1% 1.0 1.999 5.833 488 202 A 17 SER H A 16 VAL HG2% 1.0 1.671 3.085 489 202 A 17 SER H A 16 VAL HG1% 1.0 1.671 3.085 490 203 A 39 ARG H A 16 VAL HG2% 1.0 1.918 4.456 491 203 A 39 ARG H A 16 VAL HG1% 1.0 1.918 4.456 492 204 A 24 LEU H A 20 VAL HG2% 1.0 1.849 3.955 493 204 A 24 LEU H A 25 VAL HG2% 1.0 1.849 3.955 494 205 A 28 TYR H A 33 LEU HD2% 1.0 1.963 4.961 495 205 A 30 ALA H A 33 LEU HD2% 1.0 1.963 4.961 496 206 A 88 CYS H A 74 THR HG2% 1.0 1.979 5.203 497 206 A 86 ARG H A 74 THR HG2% 1.0 1.979 5.203 498 207 A 55 HIS HD1 A 81 VAL HG2% 1.0 0.000 6.000 499 207 A 77 PHE H A 81 VAL HG2% 1.0 0.000 6.000 500 208 A 6 LEU H A 5 LEU HD2% 1.0 1.780 3.566 501 208 A 6 LEU H A 5 LEU HD1% 1.0 1.780 3.566 502 209 A 14 LEU H A 14 LEU HD1% 1.0 1.739 3.371 503 209 A 14 LEU H A 38 ILE HG2% 1.0 1.739 3.371 504 210 A 14 LEU HD1% A 13 GLY H 1.0 1.917 4.451 505 210 A 38 ILE HG2% A 13 GLY H 1.0 1.917 4.451 506 211 A 22 ALA H A 25 VAL HG2% 1.0 1.894 4.262 507 211 A 22 ALA H A 20 VAL HG2% 1.0 1.894 4.262 508 212 A 38 ILE H A 24 LEU HD2% 1.0 2.000 5.994 509 212 A 5 LEU H A 24 LEU HD2% 1.0 2.000 5.994 510 213 A 86 ARG HB2 A 79 ASN HD21 1.0 1.963 4.951 511 213 A 86 ARG HB3 A 79 ASN HD21 1.0 1.963 4.951 512 214 A 11 TYR H A 20 VAL HG2% 1.0 1.999 5.801 513 214 A 11 TYR H A 6 LEU HD2% 1.0 1.999 5.801 514 215 A 11 TYR H A 8 ILE HG2% 1.0 1.936 4.632 515 215 A 11 TYR H A 8 ILE HD1% 1.0 1.936 4.632 516 216 A 23 ALA H A 20 VAL HG2% 1.0 1.923 4.505 517 216 A 23 ALA H A 25 VAL HG2% 1.0 1.923 4.505 518 217 A 3 GLN HE21 A 4 ALA HB% 1.0 1.966 4.994 519 217 A 35 ARG HG3 A 36 TYR H 1.0 1.966 4.994 520 218 A 12 ALA H A 14 LEU HD1% 1.0 1.994 5.568 521 218 A 12 ALA H A 38 ILE HG2% 1.0 1.994 5.568 522 219 A 33 LEU H A 38 ILE HD1% 1.0 1.847 3.943 523 219 A 38 ILE HD1% A 8 ILE H 1.0 1.847 3.943 524 220 A 21 PHE HE1 A 33 LEU HD1% 1.0 0.000 6.000 525 220 A 36 TYR HD1 A 33 LEU HD1% 1.0 0.000 6.000 526 220 A 21 PHE HE2 A 33 LEU HD1% 1.0 0.000 6.000 527 220 A 36 TYR HD2 A 33 LEU HD1% 1.0 0.000 6.000 528 221 A 36 TYR HD2 A 8 ILE HG2% 1.0 1.562 2.692 529 221 A 36 TYR HD2 A 8 ILE HD1% 1.0 1.562 2.692 530 221 A 36 TYR HD1 A 8 ILE HD1% 1.0 1.562 2.692 531 221 A 36 TYR HD1 A 8 ILE HG2% 1.0 1.562 2.692 532 221 A 28 TYR HD2 A 8 ILE HG2% 1.0 1.562 2.692 533 221 A 28 TYR HD1 A 8 ILE HG2% 1.0 1.562 2.692 534 222 A 12 ALA H A 8 ILE HD1% 1.0 2.000 6.082 535 222 A 12 ALA H A 8 ILE HG2% 1.0 2.000 6.082 536 223 A 28 TYR HE1 A 8 ILE HD1% 1.0 0.000 6.000 537 223 A 28 TYR HE2 A 8 ILE HG2% 1.0 0.000 6.000 538 223 A 28 TYR HE1 A 8 ILE HG2% 1.0 0.000 6.000 539 223 A 28 TYR HE2 A 8 ILE HD1% 1.0 0.000 6.000 540 224 A 21 PHE HD1 A 25 VAL HG2% 1.0 1.559 2.683 541 224 A 11 TYR HE1 A 20 VAL HG2% 1.0 1.559 2.683 542 224 A 21 PHE HD2 A 25 VAL HG2% 1.0 1.559 2.683 543 224 A 11 TYR HE2 A 20 VAL HG2% 1.0 1.559 2.683 544 225 A 57 CYS HA A 56 SER HA 1.0 1.881 4.171 545 225 A 71 HIS HA A 91 GLY HA3 1.0 1.881 4.171 546 226 A 51 ASP HA A 52 HIS HA 1.0 1.993 5.533 547 226 A 44 SER HA A 43 ASN HA 1.0 1.993 5.533 548 227 A 24 LEU HA A 28 TYR HA 1.0 1.966 4.994 549 227 A 56 SER HB3 A 63 TRP HA 1.0 1.966 4.994 550 228 A 14 LEU HA A 13 GLY HA3 1.0 1.972 5.080 551 228 A 38 ILE HA A 13 GLY HA3 1.0 1.972 5.080 552 229 A 70 SER HB2 A 69 PHE HA 1.0 1.936 4.626 553 229 A 70 SER HB3 A 69 PHE HA 1.0 1.936 4.626 554 230 A 58 ALA HA A 57 CYS HA 1.0 1.911 4.399 555 230 A 62 GLY HA2 A 90 PRO HD3 1.0 1.911 4.399 556 231 A 62 GLY HA2 A 89 ARG HD2 1.0 1.946 4.738 557 231 A 62 GLY HA2 A 89 ARG HD3 1.0 1.946 4.738 558 232 A 89 ARG HA A 72 GLU HB3 1.0 1.977 5.179 559 232 A 90 PRO HG3 A 89 ARG HA 1.0 1.977 5.179 560 233 A 16 VAL HA A 20 VAL HB 1.0 1.963 4.947 561 233 A 71 HIS HA A 72 GLU HG3 1.0 1.963 4.947 562 234 A 86 ARG HB2 A 88 CYS HA 1.0 1.996 5.666 563 234 A 89 ARG HG3 A 88 CYS HA 1.0 1.996 5.666 564 234 A 89 ARG HG2 A 88 CYS HA 1.0 1.996 5.666 565 235 A 89 ARG HG3 A 89 ARG HA 1.0 1.916 4.442 566 235 A 89 ARG HG2 A 89 ARG HA 1.0 1.916 4.442 567 236 A 62 GLY HA2 A 89 ARG HG2 1.0 1.962 4.924 568 236 A 62 GLY HA2 A 89 ARG HG3 1.0 1.962 4.924 569 237 A 57 CYS HA A 58 ALA HB% 1.0 1.860 4.024 570 237 A 62 GLY HA2 A 58 ALA HB% 1.0 1.860 4.024 571 238 A 16 VAL HG2% A 15 THR HA 1.0 1.778 3.558 572 238 A 16 VAL HG1% A 15 THR HA 1.0 1.778 3.558 573 239 A 14 LEU HD1% A 15 THR HA 1.0 1.997 5.659 574 239 A 15 THR HA A 40 ARG HG3 1.0 1.997 5.659 575 240 A 68 CYS HA A 65 ARG HD2 1.0 1.873 4.109 576 240 A 68 CYS HA A 65 ARG HD3 1.0 1.873 4.109 577 241 A 38 ILE HA A 33 LEU HB3 1.0 1.957 4.867 578 241 A 38 ILE HA A 39 ARG HB3 1.0 1.957 4.867 579 242 A 65 ARG HA A 65 ARG HG2 1.0 1.962 4.940 580 242 A 65 ARG HA A 65 ARG HG3 1.0 1.962 4.940 581 243 A 38 ILE HA A 15 THR HG2% 1.0 0.000 6.000 582 243 A 14 LEU HA A 15 THR HG2% 1.0 0.000 6.000 583 244 A 38 ILE HA A 16 VAL HG2% 1.0 1.886 4.202 584 244 A 38 ILE HA A 16 VAL HG1% 1.0 1.886 4.202 585 245 A 46 GLN HG2 A 45 TYR HA 1.0 2.000 6.100 586 245 A 46 GLN HG3 A 45 TYR HA 1.0 2.000 6.100 587 246 A 84 SER HB3 A 84 SER HA 1.0 1.625 2.913 588 246 A 84 SER HB2 A 84 SER HA 1.0 1.625 2.913 589 247 A 41 ARG HA A 42 GLU HA 1.0 1.884 4.188 590 247 A 41 ARG HA A 17 SER HA 1.0 1.884 4.188 591 248 A 17 SER HB3 A 19 PRO HD3 1.0 1.818 3.766 592 248 A 18 ALA HA A 19 PRO HD3 1.0 1.818 3.766 593 249 A 70 SER HB2 A 70 SER HA 1.0 1.599 2.819 594 249 A 70 SER HB3 A 70 SER HA 1.0 1.599 2.819 595 250 A 7 PRO HA A 8 ILE HA 1.0 0.000 6.000 596 250 A 35 ARG HA A 34 TYR HA 1.0 0.000 6.000 597 251 A 57 CYS HB3 A 81 VAL HA 1.0 2.000 5.886 598 251 A 21 PHE HA A 40 ARG HA 1.0 2.000 5.886 599 252 A 10 SER HB3 A 10 SER HA 1.0 1.573 2.729 600 252 A 10 SER HB2 A 10 SER HA 1.0 1.573 2.729 601 253 A 11 TYR HA A 11 TYR HB3 1.0 1.515 2.545 602 253 A 77 PHE HA A 77 PHE HB3 1.0 1.515 2.545 603 254 A 17 SER HB3 A 41 ARG HD3 1.0 1.866 4.064 604 254 A 17 SER HB3 A 41 ARG HD2 1.0 1.866 4.064 605 255 A 86 ARG HD3 A 86 ARG HA 1.0 0.000 6.000 606 255 A 86 ARG HD2 A 86 ARG HA 1.0 0.000 6.000 607 256 A 86 ARG HA A 87 CYS HB2 1.0 1.914 4.428 608 256 A 82 CYS HB3 A 86 ARG HA 1.0 1.914 4.428 609 257 A 43 ASN HB3 A 42 GLU HA 1.0 1.958 4.890 610 257 A 43 ASN HB2 A 42 GLU HA 1.0 1.958 4.890 611 258 A 51 ASP HB2 A 54 SER HB2 1.0 1.959 4.893 612 258 A 52 HIS HA A 51 ASP HB2 1.0 1.959 4.893 613 259 A 19 PRO HA A 19 PRO HB3 1.0 1.526 2.580 614 259 A 7 PRO HA A 7 PRO HB2 1.0 1.526 2.580 615 260 A 73 TYR HB3 A 91 GLY HA2 1.0 1.999 5.847 616 260 A 21 PHE HB3 A 22 ALA HA 1.0 1.999 5.847 617 261 A 68 CYS HB2 A 67 THR HA 1.0 1.950 4.790 618 261 A 90 PRO HB2 A 91 GLY HA2 1.0 1.950 4.790 619 262 A 66 PRO HA A 86 ARG HD2 1.0 1.987 5.367 620 262 A 67 THR HB A 86 ARG HD3 1.0 1.987 5.367 621 262 A 66 PRO HA A 86 ARG HD3 1.0 1.987 5.367 622 263 A 21 PHE HA A 16 VAL HB 1.0 1.974 5.122 623 263 A 20 VAL HA A 16 VAL HB 1.0 1.974 5.122 624 264 A 42 GLU HG2 A 42 GLU HA 1.0 1.730 3.330 625 264 A 42 GLU HG3 A 42 GLU HA 1.0 1.730 3.330 626 265 A 3 GLN HA A 3 GLN HG3 1.0 1.824 3.800 627 265 A 3 GLN HA A 3 GLN HG2 1.0 1.824 3.800 628 266 A 46 GLN HG3 A 46 GLN HA 1.0 1.808 3.716 629 266 A 46 GLN HG2 A 46 GLN HA 1.0 1.808 3.716 630 267 A 6 LEU HB3 A 5 LEU HA 1.0 1.968 5.008 631 267 A 33 LEU HB2 A 29 GLY HA3 1.0 1.968 5.008 632 268 A 41 ARG HG2 A 17 SER HA 1.0 1.834 3.862 633 268 A 41 ARG HG3 A 17 SER HA 1.0 1.834 3.862 634 269 A 92 ARG HA A 92 ARG HG2 1.0 1.745 3.399 635 269 A 92 ARG HA A 92 ARG HG3 1.0 1.745 3.399 636 270 A 35 ARG HB2 A 36 TYR HA 1.0 1.832 3.852 637 270 A 12 ALA HB% A 36 TYR HA 1.0 1.832 3.852 638 271 A 86 ARG HB3 A 86 ARG HA 1.0 1.706 3.230 639 271 A 86 ARG HB2 A 86 ARG HA 1.0 1.706 3.230 640 272 A 31 TYR HA A 30 ALA HB% 1.0 1.837 3.879 641 272 A 27 VAL HB A 26 THR HB 1.0 1.837 3.879 642 273 A 58 ALA HB% A 60 ASN HA 1.0 1.936 4.628 643 273 A 58 ALA HB% A 59 ASN HA 1.0 1.936 4.628 644 274 A 89 ARG HG3 A 90 PRO HD2 1.0 1.992 5.516 645 274 A 89 ARG HG2 A 90 PRO HD2 1.0 1.992 5.516 646 275 A 29 GLY HA3 A 25 VAL HG1% 1.0 1.493 2.479 647 275 A 5 LEU HD1% A 5 LEU HA 1.0 1.493 2.479 648 276 A 5 LEU HD2% A 4 ALA HA 1.0 1.832 3.848 649 276 A 40 ARG HG3 A 17 SER HA 1.0 1.832 3.848 650 277 A 25 VAL HG2% A 26 THR HB 1.0 1.977 5.159 651 277 A 20 VAL HG2% A 17 SER HA 1.0 1.977 5.159 652 277 A 31 TYR HA A 25 VAL HG2% 1.0 1.977 5.159 653 278 A 18 ALA HA A 20 VAL HG2% 1.0 1.989 5.403 654 278 A 17 SER HB3 A 20 VAL HG2% 1.0 1.989 5.403 655 279 A 7 PRO HA A 8 ILE HG2% 1.0 0.000 6.000 656 279 A 7 PRO HA A 8 ILE HD1% 1.0 0.000 6.000 657 280 A 7 PRO HA A 24 LEU HD2% 1.0 0.000 6.000 658 280 A 11 TYR HA A 24 LEU HD2% 1.0 0.000 6.000 659 281 A 31 TYR HA A 33 LEU HD1% 1.0 2.000 6.032 660 281 A 33 LEU HD1% A 26 THR HB 1.0 2.000 6.032 661 282 A 8 ILE HD1% A 12 ALA HA 1.0 1.966 4.992 662 282 A 8 ILE HG2% A 12 ALA HA 1.0 1.966 4.992 663 283 A 26 THR HB A 27 VAL HG2% 1.0 1.958 4.890 664 283 A 3 GLN HA A 27 VAL HG2% 1.0 1.958 4.890 665 284 A 30 ALA HA A 33 LEU HD2% 1.0 0.000 6.000 666 284 A 33 LEU HA A 33 LEU HD2% 1.0 0.000 6.000 667 285 A 16 VAL HG1% A 15 THR HB 1.0 1.959 4.905 668 285 A 16 VAL HG2% A 41 ARG HA 1.0 1.959 4.905 669 285 A 16 VAL HG2% A 15 THR HB 1.0 1.959 4.905 670 286 A 41 ARG HB2 A 41 ARG HA 1.0 1.668 3.074 671 286 A 41 ARG HB3 A 41 ARG HA 1.0 1.668 3.074 672 287 A 41 ARG HG2 A 41 ARG HA 1.0 1.737 3.363 673 287 A 41 ARG HG3 A 41 ARG HA 1.0 1.737 3.363 674 288 A 33 LEU HA A 33 LEU HB3 1.0 1.774 3.538 675 288 A 33 LEU HA A 33 LEU HB2 1.0 1.774 3.538 676 289 A 24 LEU HA A 24 LEU HB3 1.0 1.865 4.055 677 289 A 24 LEU HA A 24 LEU HG 1.0 1.865 4.055 678 290 A 21 PHE HA A 33 LEU HB2 1.0 0.000 6.000 679 290 A 21 PHE HA A 33 LEU HB3 1.0 0.000 6.000 680 291 A 20 VAL HA A 5 LEU HD2% 1.0 1.707 3.233 681 291 A 20 VAL HA A 5 LEU HD1% 1.0 1.707 3.233 682 292 A 20 VAL HA A 24 LEU HD1% 1.0 1.917 4.451 683 292 A 21 PHE HA A 24 LEU HD1% 1.0 1.917 4.451 684 293 A 21 PHE HA A 20 VAL HG2% 1.0 1.559 2.685 685 293 A 20 VAL HA A 20 VAL HG2% 1.0 1.559 2.685 686 294 A 10 SER HB3 A 6 LEU HB2 1.0 1.708 3.238 687 294 A 10 SER HB2 A 6 LEU HB2 1.0 1.708 3.238 688 295 A 10 SER HB2 A 6 LEU HG 1.0 1.723 3.297 689 295 A 10 SER HB3 A 6 LEU HG 1.0 1.723 3.297 690 296 A 10 SER HB2 A 6 LEU HB3 1.0 1.916 4.448 691 296 A 10 SER HB3 A 6 LEU HB3 1.0 1.916 4.448 692 297 A 64 CYS HB2 A 87 CYS HB2 1.0 0.000 6.000 693 297 A 64 CYS HB2 A 88 CYS HB3 1.0 0.000 6.000 694 298 A 79 ASN HB3 A 75 ASP HB3 1.0 1.956 4.852 695 298 A 89 ARG HD2 A 75 ASP HB3 1.0 1.956 4.852 696 298 A 89 ARG HD3 A 75 ASP HB3 1.0 1.956 4.852 697 299 A 92 ARG HB2 A 92 ARG HD2 1.0 1.830 3.840 698 299 A 92 ARG HB2 A 92 ARG HD3 1.0 1.830 3.840 699 300 A 49 ARG HD3 A 49 ARG HG3 1.0 1.731 3.335 700 300 A 49 ARG HD2 A 49 ARG HG3 1.0 1.731 3.335 701 301 A 92 ARG HG3 A 92 ARG HD3 1.0 1.631 2.931 702 301 A 92 ARG HG3 A 92 ARG HD2 1.0 1.631 2.931 703 301 A 92 ARG HG2 A 92 ARG HD3 1.0 1.631 2.931 704 301 A 92 ARG HG2 A 92 ARG HD2 1.0 1.631 2.931 705 302 A 31 TYR HB2 A 30 ALA HB% 1.0 1.845 3.931 706 302 A 34 TYR HB2 A 30 ALA HB% 1.0 1.845 3.931 707 302 A 34 TYR HB3 A 30 ALA HB% 1.0 1.845 3.931 708 303 A 89 ARG HD3 A 89 ARG HB3 1.0 1.976 5.148 709 303 A 89 ARG HD2 A 89 ARG HB3 1.0 1.976 5.148 710 304 A 86 ARG HD2 A 86 ARG HG3 1.0 1.803 3.687 711 304 A 86 ARG HD3 A 86 ARG HG3 1.0 1.803 3.687 712 305 A 86 ARG HD3 A 86 ARG HG2 1.0 1.654 3.018 713 305 A 86 ARG HD2 A 86 ARG HG2 1.0 1.654 3.018 714 305 A 86 ARG HD2 A 86 ARG HB2 1.0 1.654 3.018 715 306 A 58 ALA HB% A 89 ARG HD3 1.0 1.806 3.704 716 306 A 58 ALA HB% A 89 ARG HD2 1.0 1.806 3.704 717 307 A 82 CYS HB3 A 81 VAL HG1% 1.0 1.973 5.103 718 307 A 81 VAL HG1% A 87 CYS HB2 1.0 1.973 5.103 719 308 A 80 ASP HB3 A 81 VAL HG2% 1.0 1.954 4.834 720 308 A 80 ASP HB2 A 81 VAL HG2% 1.0 1.954 4.834 721 309 A 10 SER HB2 A 6 LEU HD1% 1.0 1.659 3.039 722 309 A 10 SER HB3 A 6 LEU HD1% 1.0 1.659 3.039 723 310 A 10 SER HB2 A 6 LEU HD2% 1.0 0.000 6.000 724 310 A 10 SER HB3 A 6 LEU HD2% 1.0 0.000 6.000 725 311 A 36 TYR HB3 A 8 ILE HG2% 1.0 0.000 6.000 726 311 A 36 TYR HB3 A 8 ILE HD1% 1.0 0.000 6.000 727 312 A 34 TYR HB3 A 33 LEU HD2% 1.0 1.982 5.260 728 312 A 34 TYR HB2 A 33 LEU HD2% 1.0 1.982 5.260 729 312 A 11 TYR HB3 A 33 LEU HD2% 1.0 1.982 5.260 730 313 A 28 TYR HB2 A 24 LEU HD1% 1.0 1.962 4.936 731 313 A 25 VAL HA A 24 LEU HD1% 1.0 1.962 4.936 732 314 A 41 ARG HD2 A 15 THR HG2% 1.0 1.838 3.884 733 314 A 41 ARG HD3 A 15 THR HG2% 1.0 1.838 3.884 734 315 A 89 ARG HD3 A 89 ARG HB2 1.0 1.967 5.001 735 315 A 89 ARG HD2 A 89 ARG HB2 1.0 1.967 5.001 736 316 A 21 PHE HB3 A 33 LEU HD1% 1.0 2.000 6.110 737 316 A 35 ARG HD3 A 33 LEU HD1% 1.0 2.000 6.110 738 317 A 42 GLU HG3 A 42 GLU HB3 1.0 1.572 2.726 739 317 A 46 GLN HG2 A 46 GLN HB2 1.0 1.572 2.726 740 317 A 46 GLN HG3 A 46 GLN HB2 1.0 1.572 2.726 741 318 A 42 GLU HG3 A 42 GLU HB2 1.0 1.741 3.381 742 318 A 42 GLU HG2 A 42 GLU HB2 1.0 1.741 3.381 743 319 A 65 ARG HD2 A 65 ARG HB2 1.0 1.803 3.689 744 319 A 65 ARG HD3 A 65 ARG HB2 1.0 1.803 3.689 745 320 A 16 VAL HB A 16 VAL HG2% 1.0 1.517 2.553 746 320 A 16 VAL HB A 16 VAL HG1% 1.0 1.517 2.553 747 321 A 11 TYR HB2 A 20 VAL HG2% 1.0 1.993 5.545 748 321 A 40 ARG HD2 A 25 VAL HG2% 1.0 1.993 5.545 749 322 A 8 ILE HG2% A 28 TYR HB3 1.0 1.712 3.250 750 322 A 40 ARG HD2 A 40 ARG HB3 1.0 1.712 3.250 751 323 A 86 ARG HD3 A 74 THR HG2% 1.0 1.738 3.364 752 323 A 86 ARG HD2 A 74 THR HG2% 1.0 1.738 3.364 753 324 A 74 THR HG2% A 75 ASP HB3 1.0 1.994 5.574 754 324 A 68 CYS HB2 A 74 THR HG2% 1.0 1.994 5.574 755 325 A 3 GLN HB2 A 3 GLN HB3 1.0 1.383 2.175 756 325 A 7 PRO HG2 A 7 PRO HG3 1.0 1.383 2.175 757 326 A 39 ARG HB3 A 39 ARG HB2 1.0 1.442 2.334 758 326 A 92 ARG HB2 A 92 ARG HB3 1.0 1.442 2.334 759 327 A 41 ARG HG3 A 41 ARG HB2 1.0 1.568 2.714 760 327 A 41 ARG HG2 A 41 ARG HB2 1.0 1.568 2.714 761 327 A 41 ARG HG3 A 41 ARG HB3 1.0 1.568 2.714 762 327 A 41 ARG HG2 A 41 ARG HB3 1.0 1.568 2.714 763 328 A 89 ARG HG2 A 89 ARG HB3 1.0 1.867 4.071 764 328 A 89 ARG HG3 A 89 ARG HB3 1.0 1.867 4.071 765 329 A 65 ARG HG3 A 65 ARG HB2 1.0 1.804 3.694 766 329 A 65 ARG HG2 A 65 ARG HB2 1.0 1.804 3.694 767 330 A 16 VAL HG1% A 20 VAL HB 1.0 0.000 6.000 768 330 A 16 VAL HG2% A 20 VAL HB 1.0 0.000 6.000 769 331 A 20 VAL HG2% A 24 LEU HG 1.0 1.982 5.254 770 331 A 20 VAL HG2% A 24 LEU HB3 1.0 1.982 5.254 771 332 A 24 LEU HD2% A 24 LEU HB3 1.0 1.649 2.997 772 332 A 24 LEU HD2% A 24 LEU HG 1.0 1.649 2.997 773 333 A 33 LEU HB2 A 24 LEU HB2 1.0 1.853 3.983 774 333 A 33 LEU HB3 A 24 LEU HB2 1.0 1.853 3.983 775 334 A 33 LEU HB3 A 16 VAL HG2% 1.0 1.924 4.516 776 334 A 16 VAL HG1% A 6 LEU HB3 1.0 1.924 4.516 777 334 A 16 VAL HG2% A 39 ARG HB3 1.0 1.924 4.516 778 334 A 16 VAL HG1% A 39 ARG HB3 1.0 1.924 4.516 779 335 A 33 LEU HB2 A 25 VAL HG1% 1.0 0.000 6.000 780 335 A 5 LEU HD1% A 6 LEU HB3 1.0 0.000 6.000 781 336 A 5 LEU HG A 5 LEU HD2% 1.0 1.577 2.745 782 336 A 5 LEU HG A 5 LEU HD1% 1.0 1.577 2.745 783 337 A 33 LEU HB3 A 24 LEU HD2% 1.0 0.000 6.000 784 337 A 33 LEU HB2 A 24 LEU HD2% 1.0 0.000 6.000 785 338 A 33 LEU HB3 A 8 ILE HG2% 1.0 1.897 4.291 786 338 A 33 LEU HB2 A 8 ILE HG2% 1.0 1.897 4.291 787 339 A 38 ILE HB A 16 VAL HG2% 1.0 1.884 4.188 788 339 A 38 ILE HB A 16 VAL HG1% 1.0 1.884 4.188 789 339 A 16 VAL HG1% A 38 ILE HG12 1.0 1.884 4.188 790 340 A 27 VAL HB A 27 VAL HG1% 1.0 1.438 2.322 791 340 A 48 ILE HG12 A 48 ILE HD1% 1.0 1.438 2.322 792 341 A 38 ILE HB A 38 ILE HD1% 1.0 1.591 2.791 793 341 A 38 ILE HD1% A 38 ILE HG12 1.0 1.591 2.791 794 342 A 22 ALA HB% A 25 VAL HG2% 1.0 1.813 3.741 795 342 A 23 ALA HB% A 20 VAL HG2% 1.0 1.813 3.741 796 343 A 89 ARG HG3 A 89 ARG HB2 1.0 1.952 4.816 797 343 A 89 ARG HG2 A 89 ARG HB2 1.0 1.952 4.816 798 344 A 38 ILE HB A 8 ILE HG2% 1.0 1.853 3.979 799 344 A 12 ALA HB% A 8 ILE HD1% 1.0 1.853 3.979 800 345 A 23 ALA HB% A 24 LEU HD2% 1.0 1.861 4.033 801 345 A 38 ILE HB A 24 LEU HD2% 1.0 1.861 4.033 802 346 A 8 ILE HD1% A 8 ILE HG13 1.0 1.669 3.077 803 346 A 40 ARG HB2 A 40 ARG HB3 1.0 1.669 3.077 804 347 A 33 LEU H A 25 VAL HG1% 1.0 1.953 4.811 805 347 A 33 LEU H A 38 ILE HG2% 1.0 1.953 4.811 806 348 A 65 ARG HG3 A 63 TRP HD1 1.0 1.699 3.197 807 348 A 65 ARG HG2 A 63 TRP HD1 1.0 1.699 3.197 808 349 A 55 HIS HA A 56 SER H 1.0 1.615 2.875 809 349 A 56 SER HA A 56 SER H 1.0 1.615 2.875 810 350 A 37 ASN HD21 A 12 ALA HA 1.0 1.962 4.940 811 350 A 36 TYR H A 12 ALA HA 1.0 1.962 4.940 812 351 A 40 ARG H A 41 ARG HA 1.0 1.986 5.324 813 351 A 40 ARG H A 15 THR HB 1.0 1.986 5.324 814 352 A 52 HIS H A 53 ASP HB2 1.0 1.985 6.699 815 352 A 71 HIS HE1 A 65 ARG HD3 1.0 1.985 6.699 816 352 A 71 HIS HE1 A 65 ARG HD2 1.0 1.985 6.699 817 353 A 65 ARG H A 66 PRO HD3 1.0 1.963 4.945 818 353 A 65 ARG H A 65 ARG HD2 1.0 1.963 4.945 819 353 A 65 ARG H A 65 ARG HD3 1.0 1.963 4.945 820 354 A 86 ARG HB3 A 76 TRP HZ2 1.0 1.997 6.313 821 354 A 86 ARG HB2 A 76 TRP HZ2 1.0 1.997 6.313 822 355 A 64 CYS HA A 65 ARG HG2 1.0 1.994 6.444 823 355 A 64 CYS HA A 65 ARG HG3 1.0 1.994 6.444 824 356 A 64 CYS HA A 82 CYS HA 1.0 1.990 6.578 825 356 A 79 ASN HD22 A 85 TYR HA 1.0 1.990 6.578 826 356 A 64 CYS HA A 85 TYR HA 1.0 1.990 6.578 827 357 A 3 GLN HG2 A 27 VAL HG2% 1.0 1.965 7.087 828 357 A 3 GLN HG3 A 27 VAL HG2% 1.0 1.965 7.087 829 358 A 7 PRO HA A 33 LEU HD1% 1.0 1.991 6.547 830 358 A 33 LEU HD1% A 34 TYR HA 1.0 1.991 6.547 831 359 A 33 LEU HD2% A 26 THR HB 1.0 1.994 6.454 832 359 A 37 ASN HA A 33 LEU HD2% 1.0 1.994 6.454 833 359 A 31 TYR HA A 33 LEU HD2% 1.0 1.994 6.454 834 360 A 56 SER HA A 81 VAL HG1% 1.0 1.994 6.438 835 360 A 81 VAL HG1% A 59 ASN HA 1.0 1.994 6.438 836 361 A 24 LEU HA A 26 THR HG2% 1.0 1.989 6.609 837 361 A 13 GLY HA2 A 38 ILE HG13 1.0 1.989 6.609 838 362 A 89 ARG HD3 A 89 ARG HA 1.0 1.997 5.723 839 362 A 89 ARG HD2 A 89 ARG HA 1.0 1.997 5.723 840 363 A 14 LEU HA A 20 VAL HG2% 1.0 1.950 7.318 841 363 A 38 ILE HA A 20 VAL HG2% 1.0 1.950 7.318 842 364 A 77 PHE HA A 79 ASN HB3 1.0 1.994 6.454 843 364 A 77 PHE HA A 76 TRP HB2 1.0 1.994 6.454 844 365 A 44 SER HA A 45 TYR HB3 1.0 1.999 5.817 845 365 A 79 ASN HB2 A 80 ASP HA 1.0 1.999 5.817 846 366 A 54 SER HB2 A 55 HIS HB3 1.0 2.000 6.072 847 366 A 44 SER HA A 45 TYR HB2 1.0 2.000 6.072 848 367 A 90 PRO HD3 A 89 ARG HD3 1.0 1.999 6.177 849 367 A 90 PRO HD3 A 89 ARG HD2 1.0 1.999 6.177 850 368 A 70 SER HB3 A 69 PHE HB3 1.0 1.981 6.807 851 368 A 70 SER HB2 A 69 PHE HB3 1.0 1.981 6.807 852 369 A 92 ARG HG2 A 91 GLY HA2 1.0 1.999 5.815 853 369 A 92 ARG HG3 A 91 GLY HA2 1.0 1.999 5.815 854 370 A 48 ILE HA A 47 ARG HG3 1.0 1.998 6.270 855 370 A 49 ARG HG2 A 48 ILE HA 1.0 1.998 6.270 856 371 A 20 VAL HA A 18 ALA HB% 1.0 2.000 6.016 857 371 A 21 PHE HA A 18 ALA HB% 1.0 2.000 6.016 858 372 A 65 ARG HG2 A 66 PRO HD2 1.0 2.000 6.090 859 372 A 65 ARG HG3 A 66 PRO HD2 1.0 2.000 6.090 860 373 A 86 ARG HG2 A 85 TYR HB3 1.0 2.000 5.970 861 373 A 86 ARG HB3 A 85 TYR HB3 1.0 2.000 5.970 862 374 A 65 ARG HD2 A 65 ARG HG2 1.0 1.999 5.863 863 374 A 65 ARG HD3 A 65 ARG HG3 1.0 1.999 5.863 864 374 A 65 ARG HD3 A 65 ARG HG2 1.0 1.999 5.863 865 374 A 65 ARG HD2 A 65 ARG HG3 1.0 1.999 5.863 866 375 A 23 ALA HB% A 19 PRO HB3 1.0 1.938 4.656 867 375 A 22 ALA HB% A 19 PRO HB3 1.0 1.938 4.656 868 376 A 42 GLU HG2 A 40 ARG HB2 1.0 1.983 6.759 869 376 A 16 VAL HB A 40 ARG HB2 1.0 1.983 6.759 870 377 A 65 ARG HB2 A 66 PRO HG2 1.0 1.999 6.039 871 377 A 26 THR HG2% A 25 VAL HB 1.0 1.999 6.039 872 378 A 55 HIS HD1 A 64 CYS HA 1.0 1.993 6.479 873 378 A 62 GLY H A 64 CYS HA 1.0 1.993 6.479 874 378 A 77 PHE H A 79 ASN HD22 1.0 1.993 6.479 875 379 A 38 ILE H A 37 ASN HD22 1.0 1.990 6.584 876 379 A 38 ILE H A 36 TYR HE1 1.0 1.990 6.584 877 379 A 38 ILE H A 36 TYR HE2 1.0 1.990 6.584 878 380 A 62 GLY H A 59 ASN H 1.0 1.982 6.776 879 380 A 87 CYS H A 77 PHE H 1.0 1.982 6.776 880 381 A 12 ALA H A 38 ILE HA 1.0 1.998 6.196 881 381 A 12 ALA H A 14 LEU HA 1.0 1.998 6.196 882 382 A 39 ARG H A 11 TYR HA 1.0 0.000 6.000 883 382 A 39 ARG H A 34 TYR HA 1.0 0.000 6.000 884 383 A 49 ARG HD3 A 49 ARG H 1.0 1.932 4.602 885 383 A 49 ARG HD2 A 49 ARG H 1.0 1.932 4.602 886 384 A 76 TRP H A 75 ASP HB3 1.0 1.958 4.886 887 384 A 79 ASN H A 75 ASP HB3 1.0 1.958 4.886 888 385 A 63 TRP HZ2 A 65 ARG HG3 1.0 0.000 6.000 889 385 A 63 TRP HZ2 A 65 ARG HG2 1.0 0.000 6.000 890 386 A 43 ASN HD22 A 47 ARG HB3 1.0 1.999 6.155 891 386 A 63 TRP HZ2 A 48 ILE HB 1.0 1.999 6.155 892 387 A 63 TRP HZ2 A 49 ARG HB2 1.0 2.000 5.954 893 387 A 37 ASN HD21 A 39 ARG HB2 1.0 2.000 5.954 894 388 A 64 CYS HA A 65 ARG HD2 1.0 1.984 6.728 895 388 A 64 CYS HA A 65 ARG HD3 1.0 1.984 6.728 896 389 A 43 ASN HA A 43 ASN HB2 1.0 1.639 2.963 897 389 A 43 ASN HA A 43 ASN HB3 1.0 1.639 2.963 898 390 A 82 CYS HA A 81 VAL HB 1.0 1.992 5.488 899 390 A 85 TYR HA A 53 ASP HB2 1.0 1.992 5.488 900 391 A 43 ASN HB2 A 47 ARG HG3 1.0 1.995 5.591 901 391 A 43 ASN HB3 A 47 ARG HG3 1.0 1.995 5.591 902 392 A 34 TYR HB2 A 35 ARG HG3 1.0 1.898 4.294 903 392 A 34 TYR HB3 A 35 ARG HG3 1.0 1.898 4.294 904 393 A 89 ARG HG2 A 62 GLY HA3 1.0 1.902 4.326 905 393 A 89 ARG HG3 A 62 GLY HA3 1.0 1.902 4.326 906 394 A 73 TYR HB3 A 72 GLU HG3 1.0 1.995 5.607 907 394 A 21 PHE HB3 A 20 VAL HB 1.0 1.995 5.607 908 395 A 31 TYR HB3 A 32 ALA HA 1.0 1.992 5.508 909 395 A 31 TYR HB3 A 29 GLY HA2 1.0 1.992 5.508 910 396 A 54 SER HB3 A 64 CYS HB2 1.0 1.983 5.283 911 396 A 13 GLY HA2 A 39 ARG HD3 1.0 1.983 5.283 912 397 A 33 LEU HA A 34 TYR HB2 1.0 1.984 5.314 913 397 A 30 ALA HA A 34 TYR HB2 1.0 1.984 5.314 914 398 A 20 VAL HA A 24 LEU HA 1.0 2.000 5.950 915 398 A 21 PHE HA A 24 LEU HA 1.0 2.000 5.950 916 399 A 8 ILE HA A 16 VAL HG2% 1.0 0.000 6.000 917 399 A 8 ILE HA A 16 VAL HG1% 1.0 0.000 6.000 918 400 A 5 LEU H A 20 VAL HG2% 1.0 1.992 6.496 919 400 A 5 LEU H A 6 LEU HD2% 1.0 1.992 6.496 920 401 A 89 ARG H A 90 PRO HB3 1.0 1.991 6.563 921 401 A 89 ARG H A 72 GLU HG3 1.0 1.991 6.563 922 402 A 65 ARG H A 64 CYS HB3 1.0 1.891 4.241 923 402 A 65 ARG H A 88 CYS HB3 1.0 1.891 4.241 924 403 A 31 TYR H A 29 GLY H 1.0 2.000 5.928 925 403 A 88 CYS H A 64 CYS H 1.0 2.000 5.928 926 404 A 33 LEU HB2 A 26 THR H 1.0 1.987 6.669 927 404 A 33 LEU HB3 A 26 THR H 1.0 1.987 6.669 928 405 A 28 TYR HD2 A 5 LEU HB3 1.0 1.999 5.779 929 405 A 28 TYR HD1 A 5 LEU HB3 1.0 1.999 5.779 930 405 A 21 PHE HZ A 39 ARG HB2 1.0 1.999 5.779 931 406 A 73 TYR HD1 A 90 PRO HB3 1.0 1.999 6.219 932 406 A 73 TYR HD2 A 90 PRO HB3 1.0 1.999 6.219 933 406 A 73 TYR HD1 A 72 GLU HG3 1.0 1.999 6.219 934 406 A 73 TYR HD2 A 72 GLU HG3 1.0 1.999 6.219 935 407 A 71 HIS HD2 A 46 GLN HG2 1.0 1.999 6.151 936 407 A 71 HIS HD2 A 90 PRO HG3 1.0 1.999 6.151 937 407 A 71 HIS HD2 A 46 GLN HG3 1.0 1.999 6.151 938 408 A 45 TYR HE1 A 43 ASN HB2 1.0 1.999 5.805 939 408 A 45 TYR HE2 A 43 ASN HB2 1.0 1.999 5.805 940 408 A 45 TYR HE2 A 43 ASN HB3 1.0 1.999 5.805 941 408 A 45 TYR HE1 A 43 ASN HB3 1.0 1.999 5.805 942 409 A 3 GLN HE22 A 26 THR HA 1.0 1.998 5.766 943 409 A 73 TYR HD1 A 90 PRO HD3 1.0 1.998 5.766 944 409 A 73 TYR HD2 A 90 PRO HD3 1.0 1.998 5.766 945 410 A 21 PHE HZ A 40 ARG HA 1.0 1.994 5.558 946 410 A 69 PHE HE2 A 1 PCA HA 1.0 1.994 5.558 947 410 A 69 PHE HE1 A 1 PCA HA 1.0 1.994 5.558 948 411 A 90 PRO HA A 71 HIS HB3 1.0 2.000 6.074 949 411 A 68 CYS HA A 69 PHE HB2 1.0 2.000 6.074 950 412 A 17 SER HB3 A 24 LEU HD2% 1.0 1.996 6.390 951 412 A 18 ALA HA A 24 LEU HD2% 1.0 1.996 6.390 952 413 A 28 TYR HB2 A 24 LEU HD2% 1.0 2.000 6.074 953 413 A 25 VAL HA A 24 LEU HD2% 1.0 2.000 6.074 954 414 A 11 TYR HB3 A 8 ILE HA 1.0 1.999 6.179 955 414 A 36 TYR HB3 A 8 ILE HA 1.0 1.999 6.179 956 414 A 34 TYR HB2 A 35 ARG HA 1.0 1.999 6.179 957 414 A 34 TYR HB3 A 35 ARG HA 1.0 1.999 6.179 958 415 A 11 TYR HA A 9 ALA HA 1.0 1.998 6.248 959 415 A 7 PRO HA A 9 ALA HA 1.0 1.998 6.248 960 416 A 72 GLU HG3 A 67 THR HA 1.0 1.977 6.875 961 416 A 72 GLU HG3 A 91 GLY HA2 1.0 1.977 6.875 962 417 A 76 TRP HE3 A 76 TRP HZ3 1.0 1.550 2.656 963 418 A 76 TRP HH2 A 76 TRP HZ2 1.0 1.520 2.560 964 419 A 44 SER H A 44 SER HB2 1.0 1.743 3.387 965 420 A 76 TRP HH2 A 76 TRP HE1 1.0 1.977 5.165 966 421 A 76 TRP HD1 A 76 TRP HE1 1.0 1.576 2.740 967 422 A 76 TRP HZ2 A 76 TRP HE1 1.0 1.680 3.118 968 423 A 89 ARG H A 73 TYR H 1.0 1.847 3.945 969 424 A 18 ALA H A 21 PHE H 1.0 1.995 5.641 970 425 A 59 ASN H A 58 ALA H 1.0 1.807 3.709 971 426 A 59 ASN H A 78 ASN HD21 1.0 1.970 7.006 972 427 A 17 SER H A 18 ALA H 1.0 0.000 6.000 973 428 A 73 TYR H A 91 GLY H 1.0 1.960 4.918 974 429 A 77 PHE H A 78 ASN HD21 1.0 2.000 6.044 975 430 A 73 TYR H A 74 THR H 1.0 1.990 5.436 976 431 A 60 ASN H A 58 ALA H 1.0 2.000 5.962 977 432 A 16 VAL H A 41 ARG H 1.0 1.888 4.224 978 433 A 87 CYS H A 75 ASP H 1.0 1.998 5.782 979 434 A 88 CYS H A 89 ARG H 1.0 1.990 5.444 980 435 A 24 LEU H A 21 PHE H 1.0 1.997 5.707 981 436 A 39 ARG H A 16 VAL H 1.0 1.897 4.287 982 437 A 63 TRP H A 62 GLY H 1.0 1.953 4.817 983 438 A 40 ARG H A 16 VAL H 1.0 1.998 5.770 984 439 A 15 THR H A 16 VAL H 1.0 1.952 4.810 985 440 A 89 ARG H A 74 THR H 1.0 1.982 6.796 986 441 A 71 HIS H A 70 SER H 1.0 1.938 4.654 987 442 A 60 ASN H A 59 ASN H 1.0 1.756 3.452 988 443 A 22 ALA H A 21 PHE H 1.0 1.714 3.262 989 444 A 92 ARG H A 91 GLY H 1.0 1.905 4.351 990 445 A 44 SER H A 43 ASN H 1.0 1.801 3.679 991 446 A 40 ARG H A 41 ARG H 1.0 1.921 4.493 992 447 A 48 ILE H A 49 ARG H 1.0 0.000 6.000 993 448 A 30 ALA H A 32 ALA H 1.0 1.972 5.088 994 449 A 31 TYR H A 32 ALA H 1.0 1.632 2.938 995 450 A 52 HIS H A 53 ASP H 1.0 1.780 3.562 996 451 A 76 TRP HE1 A 74 THR H 1.0 2.000 5.994 997 452 A 63 TRP HE1 A 64 CYS H 1.0 1.990 5.458 998 453 A 65 ARG H A 64 CYS H 1.0 1.993 5.561 999 454 A 58 ALA H A 57 CYS H 1.0 2.000 5.932 1000 455 A 63 TRP H A 64 CYS H 1.0 1.987 5.379 1001 456 A 63 TRP H A 57 CYS H 1.0 2.000 5.886 1002 457 A 73 TYR H A 72 GLU H 1.0 1.983 5.279 1003 458 A 78 ASN H A 78 ASN HD21 1.0 1.941 4.679 1004 459 A 63 TRP H A 60 ASN HD22 1.0 1.991 5.451 1005 460 A 75 ASP H A 76 TRP H 1.0 1.964 4.962 1006 461 A 23 ALA H A 21 PHE H 1.0 1.949 4.783 1007 462 A 87 CYS H A 79 ASN HD21 1.0 1.999 5.769 1008 463 A 59 ASN H A 61 ARG H 1.0 1.981 5.235 1009 464 A 85 TYR H A 84 SER H 1.0 1.711 3.247 1010 465 A 47 ARG H A 48 ILE H 1.0 1.853 3.977 1011 466 A 14 LEU H A 13 GLY H 1.0 1.819 3.775 1012 467 A 38 ILE H A 37 ASN H 1.0 1.794 3.638 1013 468 A 35 ARG H A 37 ASN H 1.0 1.998 5.726 1014 469 A 62 GLY H A 57 CYS H 1.0 1.867 4.069 1015 470 A 60 ASN H A 57 CYS H 1.0 1.997 5.673 1016 471 A 56 SER H A 57 CYS H 1.0 1.960 4.918 1017 472 A 82 CYS H A 80 ASP H 1.0 1.967 5.011 1018 473 A 86 ARG H A 85 TYR H 1.0 1.965 4.977 1019 474 A 25 VAL H A 29 GLY H 1.0 1.994 5.554 1020 475 A 28 TYR H A 29 GLY H 1.0 1.605 2.843 1021 476 A 72 GLU H A 69 PHE H 1.0 1.954 4.836 1022 477 A 28 TYR H A 26 THR H 1.0 1.966 4.990 1023 478 A 72 GLU H A 91 GLY H 1.0 1.994 5.598 1024 479 A 78 ASN H A 80 ASP H 1.0 1.977 5.169 1025 480 A 43 ASN HD22 A 43 ASN H 1.0 1.977 5.173 1026 481 A 23 ALA H A 25 VAL H 1.0 1.938 4.658 1027 482 A 24 LEU H A 23 ALA H 1.0 1.647 2.993 1028 483 A 60 ASN H A 61 ARG H 1.0 1.791 3.627 1029 484 A 71 HIS H A 72 GLU H 1.0 0.000 6.000 1030 485 A 22 ALA H A 23 ALA H 1.0 1.642 2.972 1031 486 A 35 ARG H A 36 TYR H 1.0 1.756 3.450 1032 487 A 35 ARG H A 34 TYR H 1.0 1.663 3.053 1033 488 A 77 PHE H A 78 ASN H 1.0 1.694 3.178 1034 489 A 37 ASN HD21 A 13 GLY H 1.0 1.991 5.455 1035 490 A 38 ILE H A 36 TYR H 1.0 1.926 4.534 1036 491 A 10 SER H A 11 TYR H 1.0 1.629 2.925 1037 492 A 9 ALA H A 11 TYR H 1.0 1.994 5.536 1038 493 A 37 ASN H A 36 TYR H 1.0 1.654 3.020 1039 494 A 29 GLY H A 27 VAL H 1.0 1.910 4.390 1040 495 A 34 TYR H A 32 ALA H 1.0 1.957 4.873 1041 496 A 53 ASP H A 54 SER H 1.0 1.757 3.451 1042 497 A 77 PHE H A 76 TRP H 1.0 1.746 3.404 1043 498 A 31 TYR H A 34 TYR H 1.0 1.994 5.594 1044 499 A 79 ASN H A 80 ASP H 1.0 1.694 3.176 1045 500 A 28 TYR H A 27 VAL H 1.0 1.684 3.138 1046 501 A 59 ASN H A 59 ASN HD21 1.0 1.986 5.358 1047 502 A 52 HIS H A 54 SER H 1.0 1.967 5.003 1048 503 A 25 VAL H A 27 VAL H 1.0 1.946 4.734 1049 504 A 63 TRP HE3 A 56 SER H 1.0 1.958 4.890 1050 505 A 63 TRP HE3 A 63 TRP HE1 1.0 0.000 6.000 1051 506 A 63 TRP HZ3 A 63 TRP HE1 1.0 0.000 6.000 1052 507 A 63 TRP HE1 A 55 HIS H 1.0 1.962 4.946 1053 508 A 65 ARG H A 67 THR H 1.0 1.998 6.246 1054 509 A 65 ARG H A 85 TYR HD1 1.0 1.950 4.782 1055 509 A 65 ARG H A 85 TYR HD2 1.0 1.950 4.782 1056 510 A 73 TYR H A 73 TYR HE2 1.0 1.959 4.897 1057 510 A 73 TYR H A 73 TYR HE1 1.0 1.959 4.897 1058 511 A 21 PHE HD2 A 18 ALA H 1.0 2.000 5.938 1059 511 A 21 PHE HD1 A 18 ALA H 1.0 2.000 5.938 1060 512 A 73 TYR HD1 A 73 TYR H 1.0 1.732 3.340 1061 512 A 73 TYR HD2 A 73 TYR H 1.0 1.732 3.340 1062 513 A 65 ARG H A 63 TRP HD1 1.0 2.000 5.898 1063 514 A 18 ALA H A 20 VAL H 1.0 1.958 4.874 1064 515 A 60 ASN HD22 A 57 CYS H 1.0 1.954 4.822 1065 516 A 79 ASN HD21 A 76 TRP HE3 1.0 1.763 3.483 1066 517 A 79 ASN H A 78 ASN H 1.0 1.728 3.320 1067 518 A 26 THR H A 27 VAL H 1.0 1.660 3.040 1068 519 A 81 VAL H A 83 GLY H 1.0 1.998 5.756 1069 520 A 82 CYS H A 81 VAL H 1.0 1.714 3.260 1070 521 A 28 TYR HD2 A 29 GLY H 1.0 1.874 4.118 1071 521 A 28 TYR HD1 A 29 GLY H 1.0 1.874 4.118 1072 522 A 36 TYR HD1 A 9 ALA H 1.0 1.981 5.229 1073 522 A 36 TYR HD2 A 9 ALA H 1.0 1.981 5.229 1074 523 A 36 TYR HD1 A 13 GLY H 1.0 1.970 5.064 1075 523 A 36 TYR HD2 A 13 GLY H 1.0 1.970 5.064 1076 524 A 36 TYR HD1 A 35 ARG H 1.0 1.922 4.506 1077 524 A 36 TYR HD2 A 35 ARG H 1.0 1.922 4.506 1078 525 A 40 ARG H A 21 PHE HE1 1.0 1.839 3.889 1079 525 A 40 ARG H A 21 PHE HE2 1.0 1.839 3.889 1080 526 A 39 ARG H A 21 PHE HE1 1.0 1.979 5.205 1081 526 A 39 ARG H A 21 PHE HE2 1.0 1.979 5.205 1082 527 A 52 HIS H A 52 HIS HD2 1.0 1.989 5.417 1083 528 A 63 TRP HZ3 A 56 SER H 1.0 1.962 4.934 1084 529 A 28 TYR HD2 A 25 VAL H 1.0 1.961 4.917 1085 529 A 28 TYR HD1 A 25 VAL H 1.0 1.961 4.917 1086 530 A 56 SER H A 63 TRP HH2 1.0 1.910 4.396 1087 531 A 81 VAL H A 80 ASP H 1.0 1.718 3.276 1088 532 A 28 TYR HD2 A 28 TYR H 1.0 1.683 3.131 1089 532 A 28 TYR HD1 A 28 TYR H 1.0 1.683 3.131 1090 533 A 65 ARG HE A 69 PHE HE2 1.0 1.981 5.237 1091 533 A 65 ARG HE A 69 PHE HE1 1.0 1.981 5.237 1092 534 A 69 PHE HE2 A 70 SER H 1.0 1.998 5.752 1093 534 A 69 PHE HE1 A 70 SER H 1.0 1.998 5.752 1094 535 A 40 ARG HE A 41 ARG H 1.0 1.972 5.082 1095 536 A 42 GLU H A 41 ARG HE 1.0 1.988 5.398 1096 537 A 69 PHE HD1 A 70 SER H 1.0 1.856 3.998 1097 537 A 69 PHE HD2 A 70 SER H 1.0 1.856 3.998 1098 538 A 31 TYR H A 31 TYR HD1 1.0 1.832 3.850 1099 538 A 31 TYR H A 31 TYR HD2 1.0 1.832 3.850 1100 539 A 71 HIS HE1 A 69 PHE HD1 1.0 1.934 4.614 1101 539 A 71 HIS HE1 A 69 PHE HD2 1.0 1.934 4.614 1102 540 A 78 ASN HD22 A 78 ASN HD21 1.0 1.519 2.557 1103 541 A 21 PHE HE1 A 16 VAL H 1.0 1.998 6.252 1104 541 A 21 PHE HE2 A 16 VAL H 1.0 1.998 6.252 1105 542 A 63 TRP H A 63 TRP HD1 1.0 1.999 5.823 1106 543 A 75 ASP H A 73 TYR HD1 1.0 1.975 5.131 1107 543 A 75 ASP H A 73 TYR HD2 1.0 1.975 5.131 1108 544 A 21 PHE HD2 A 16 VAL H 1.0 1.951 4.791 1109 544 A 21 PHE HD1 A 16 VAL H 1.0 1.951 4.791 1110 545 A 21 PHE HD2 A 21 PHE H 1.0 0.000 6.000 1111 545 A 21 PHE HD1 A 21 PHE H 1.0 0.000 6.000 1112 546 A 73 TYR HD1 A 89 ARG H 1.0 1.957 4.871 1113 546 A 73 TYR HD2 A 89 ARG H 1.0 1.957 4.871 1114 547 A 20 VAL H A 21 PHE H 1.0 1.641 2.969 1115 548 A 17 SER H A 20 VAL H 1.0 1.961 4.927 1116 549 A 86 ARG HE A 68 CYS H 1.0 1.998 5.728 1117 550 A 65 ARG HE A 63 TRP HD1 1.0 1.987 5.365 1118 551 A 21 PHE HD2 A 41 ARG H 1.0 1.925 4.527 1119 551 A 21 PHE HD1 A 41 ARG H 1.0 1.925 4.527 1120 552 A 73 TYR HD1 A 91 GLY H 1.0 1.923 4.513 1121 552 A 73 TYR HD2 A 91 GLY H 1.0 1.923 4.513 1122 553 A 28 TYR H A 28 TYR HE1 1.0 1.905 4.353 1123 553 A 28 TYR H A 28 TYR HE2 1.0 1.905 4.353 1124 554 A 21 PHE HD2 A 25 VAL H 1.0 1.954 4.836 1125 554 A 21 PHE HD1 A 25 VAL H 1.0 1.954 4.836 1126 555 A 43 ASN HD21 A 43 ASN H 1.0 2.000 5.936 1127 556 A 73 TYR HD1 A 74 THR H 1.0 1.867 4.071 1128 556 A 73 TYR HD2 A 74 THR H 1.0 1.867 4.071 1129 557 A 39 ARG H A 21 PHE HD2 1.0 1.982 5.270 1130 557 A 39 ARG H A 21 PHE HD1 1.0 1.982 5.270 1131 558 A 75 ASP H A 73 TYR HE2 1.0 1.989 5.407 1132 558 A 75 ASP H A 73 TYR HE1 1.0 1.989 5.407 1133 559 A 89 ARG H A 73 TYR HE2 1.0 1.994 5.590 1134 559 A 89 ARG H A 73 TYR HE1 1.0 1.994 5.590 1135 560 A 85 TYR HD1 A 84 SER H 1.0 1.991 5.469 1136 560 A 85 TYR HD2 A 84 SER H 1.0 1.991 5.469 1137 561 A 91 GLY H A 73 TYR HE2 1.0 1.995 5.593 1138 561 A 91 GLY H A 73 TYR HE1 1.0 1.995 5.593 1139 562 A 67 THR H A 68 CYS H 1.0 1.930 4.574 1140 563 A 86 ARG H A 85 TYR HD1 1.0 1.855 3.989 1141 563 A 86 ARG H A 85 TYR HD2 1.0 1.855 3.989 1142 564 A 86 ARG H A 85 TYR HE1 1.0 1.999 5.839 1143 564 A 86 ARG H A 85 TYR HE2 1.0 1.999 5.839 1144 565 A 73 TYR HE2 A 74 THR H 1.0 2.000 6.046 1145 565 A 73 TYR HE1 A 74 THR H 1.0 2.000 6.046 1146 566 A 92 ARG H A 73 TYR HE2 1.0 1.964 4.960 1147 566 A 92 ARG H A 73 TYR HE1 1.0 1.964 4.960 1148 567 A 35 ARG H A 36 TYR HE1 1.0 1.999 6.165 1149 567 A 35 ARG H A 36 TYR HE2 1.0 1.999 6.165 1150 568 A 77 PHE H A 73 TYR HE2 1.0 2.000 5.972 1151 568 A 77 PHE H A 73 TYR HE1 1.0 2.000 5.972 1152 569 A 35 ARG H A 34 TYR HD2 1.0 1.747 3.409 1153 569 A 35 ARG H A 34 TYR HD1 1.0 1.747 3.409 1154 570 A 31 TYR HD1 A 32 ALA H 1.0 1.901 4.315 1155 570 A 31 TYR HD2 A 32 ALA H 1.0 1.901 4.315 1156 571 A 45 TYR H A 45 TYR HD2 1.0 1.816 3.756 1157 571 A 45 TYR H A 45 TYR HD1 1.0 1.816 3.756 1158 572 A 46 GLN H A 45 TYR HD2 1.0 1.928 4.554 1159 572 A 46 GLN H A 45 TYR HD1 1.0 1.928 4.554 1160 573 A 33 LEU H A 32 ALA H 1.0 1.639 2.959 1161 574 A 11 TYR HE2 A 6 LEU H 1.0 0.000 6.000 1162 574 A 11 TYR HE1 A 6 LEU H 1.0 0.000 6.000 1163 575 A 21 PHE HD2 A 22 ALA H 1.0 1.732 3.338 1164 575 A 21 PHE HD1 A 22 ALA H 1.0 1.732 3.338 1165 576 A 40 ARG H A 21 PHE HD2 1.0 1.899 4.303 1166 576 A 40 ARG H A 21 PHE HD1 1.0 1.899 4.303 1167 577 A 45 TYR HE2 A 45 TYR H 1.0 1.993 5.539 1168 577 A 45 TYR HE1 A 45 TYR H 1.0 1.993 5.539 1169 578 A 12 ALA H A 13 GLY H 1.0 1.911 4.409 1170 579 A 31 TYR HE1 A 32 ALA H 1.0 0.000 6.000 1171 579 A 31 TYR HE2 A 32 ALA H 1.0 0.000 6.000 1172 580 A 53 ASP H A 85 TYR HE1 1.0 1.973 5.095 1173 580 A 53 ASP H A 85 TYR HE2 1.0 1.973 5.095 1174 581 A 85 TYR HD1 A 53 ASP H 1.0 2.000 5.970 1175 581 A 85 TYR HD2 A 53 ASP H 1.0 2.000 5.970 1176 582 A 36 TYR HE1 A 9 ALA H 1.0 1.948 4.766 1177 582 A 36 TYR HE2 A 9 ALA H 1.0 1.948 4.766 1178 583 A 64 CYS H A 55 HIS H 1.0 1.904 4.342 1179 584 A 85 TYR H A 85 TYR HD1 1.0 1.842 3.910 1180 584 A 85 TYR H A 85 TYR HD2 1.0 1.842 3.910 1181 585 A 85 TYR H A 85 TYR HE1 1.0 1.993 5.539 1182 585 A 85 TYR H A 85 TYR HE2 1.0 1.993 5.539 1183 586 A 9 ALA H A 28 TYR HE1 1.0 1.999 5.809 1184 586 A 9 ALA H A 28 TYR HE2 1.0 1.999 5.809 1185 587 A 12 ALA H A 11 TYR H 1.0 1.575 2.739 1186 588 A 63 TRP HD1 A 64 CYS H 1.0 1.949 4.771 1187 589 A 11 TYR HD2 A 9 ALA H 1.0 1.959 4.903 1188 589 A 11 TYR HD1 A 9 ALA H 1.0 1.959 4.903 1189 590 A 37 ASN H A 34 TYR HD2 1.0 1.999 6.061 1190 590 A 37 ASN H A 34 TYR HD1 1.0 1.999 6.061 1191 591 A 10 SER H A 8 ILE H 1.0 1.986 5.330 1192 592 A 9 ALA H A 8 ILE H 1.0 1.752 3.428 1193 593 A 28 TYR HE1 A 29 GLY H 1.0 1.999 6.069 1194 593 A 28 TYR HE2 A 29 GLY H 1.0 1.999 6.069 1195 594 A 61 ARG H A 61 ARG HE 1.0 1.988 5.390 1196 595 A 79 ASN HD21 A 76 TRP HZ3 1.0 1.872 4.106 1197 596 A 28 TYR HD2 A 26 THR H 1.0 2.000 6.038 1198 596 A 28 TYR HD1 A 26 THR H 1.0 2.000 6.038 1199 597 A 36 TYR HD1 A 36 TYR H 1.0 1.800 3.670 1200 597 A 36 TYR HD2 A 36 TYR H 1.0 1.800 3.670 1201 598 A 63 TRP HZ2 A 63 TRP HH2 1.0 1.596 2.808 1202 599 A 33 LEU H A 34 TYR H 1.0 1.667 3.069 1203 600 A 63 TRP HE3 A 63 TRP HH2 1.0 0.000 6.000 1204 601 A 63 TRP HZ3 A 63 TRP HH2 1.0 1.588 2.782 1205 602 A 69 PHE HE2 A 69 PHE HD2 1.0 1.371 2.141 1206 602 A 69 PHE HE2 A 69 PHE HD1 1.0 1.371 2.141 1207 602 A 69 PHE HE1 A 69 PHE HD1 1.0 1.371 2.141 1208 602 A 69 PHE HE1 A 69 PHE HD2 1.0 1.371 2.141 1209 603 A 76 TRP HH2 A 76 TRP HZ3 1.0 1.524 2.574 1210 604 A 46 GLN HE21 A 46 GLN HE22 1.0 1.264 1.882 1211 605 A 59 ASN HD22 A 59 ASN HD21 1.0 1.307 1.985 1212 606 A 37 ASN HD22 A 37 ASN HD21 1.0 1.281 1.923 1213 607 A 3 GLN HE21 A 3 GLN HE22 1.0 1.251 1.853 1214 608 A 21 PHE HE1 A 21 PHE HD2 1.0 1.425 2.287 1215 608 A 21 PHE HE1 A 21 PHE HD1 1.0 1.425 2.287 1216 608 A 21 PHE HE2 A 21 PHE HD2 1.0 1.425 2.287 1217 608 A 21 PHE HE2 A 21 PHE HD1 1.0 1.425 2.287 1218 609 A 28 TYR HD2 A 28 TYR HE2 1.0 1.393 2.201 1219 609 A 28 TYR HD2 A 28 TYR HE1 1.0 1.393 2.201 1220 609 A 28 TYR HD1 A 28 TYR HE1 1.0 1.393 2.201 1221 609 A 28 TYR HD1 A 28 TYR HE2 1.0 1.393 2.201 1222 610 A 36 TYR HD1 A 36 TYR HE1 1.0 0.000 6.000 1223 610 A 36 TYR HD1 A 36 TYR HE2 1.0 0.000 6.000 1224 610 A 36 TYR HD2 A 36 TYR HE1 1.0 0.000 6.000 1225 610 A 36 TYR HD2 A 36 TYR HE2 1.0 0.000 6.000 1226 611 A 31 TYR HE2 A 31 TYR HD1 1.0 1.396 2.206 1227 611 A 31 TYR HE1 A 31 TYR HD1 1.0 1.396 2.206 1228 611 A 31 TYR HE1 A 31 TYR HD2 1.0 1.396 2.206 1229 611 A 31 TYR HE2 A 31 TYR HD2 1.0 1.396 2.206 1230 612 A 45 TYR HE1 A 45 TYR HD2 1.0 1.361 2.119 1231 612 A 45 TYR HE2 A 45 TYR HD2 1.0 1.361 2.119 1232 612 A 45 TYR HE2 A 45 TYR HD1 1.0 1.361 2.119 1233 612 A 45 TYR HE1 A 45 TYR HD1 1.0 1.361 2.119 1234 613 A 34 TYR HD2 A 34 TYR HE2 1.0 0.000 6.000 1235 613 A 34 TYR HD2 A 34 TYR HE1 1.0 0.000 6.000 1236 613 A 34 TYR HD1 A 34 TYR HE2 1.0 0.000 6.000 1237 613 A 34 TYR HD1 A 34 TYR HE1 1.0 0.000 6.000 1238 614 A 73 TYR HD1 A 73 TYR HE2 1.0 1.385 2.177 1239 614 A 73 TYR HD1 A 73 TYR HE1 1.0 1.385 2.177 1240 614 A 73 TYR HD2 A 73 TYR HE2 1.0 1.385 2.177 1241 614 A 73 TYR HD2 A 73 TYR HE1 1.0 1.385 2.177 1242 615 A 85 TYR HD2 A 85 TYR HE1 1.0 1.372 2.146 1243 615 A 85 TYR HD1 A 85 TYR HE1 1.0 1.372 2.146 1244 615 A 85 TYR HD1 A 85 TYR HE2 1.0 1.372 2.146 1245 615 A 85 TYR HD2 A 85 TYR HE2 1.0 1.372 2.146 1246 616 A 11 TYR HE2 A 11 TYR HD2 1.0 1.399 2.215 1247 616 A 11 TYR HE1 A 11 TYR HD2 1.0 1.399 2.215 1248 616 A 11 TYR HE2 A 11 TYR HD1 1.0 1.399 2.215 1249 616 A 11 TYR HE1 A 11 TYR HD1 1.0 1.399 2.215 1250 617 A 65 ARG H A 64 CYS HA 1.0 1.663 3.051 1251 618 A 63 TRP H A 64 CYS HA 1.0 2.000 5.992 1252 619 A 88 CYS H A 64 CYS HA 1.0 1.813 3.739 1253 620 A 64 CYS HA A 64 CYS H 1.0 1.885 4.201 1254 621 A 79 ASN HD22 A 79 ASN HD21 1.0 1.441 2.327 1255 622 A 79 ASN HD22 A 76 TRP HE3 1.0 1.788 3.608 1256 623 A 79 ASN HD22 A 76 TRP HH2 1.0 1.995 5.607 1257 624 A 79 ASN HD22 A 76 TRP HZ3 1.0 1.890 4.234 1258 625 A 64 CYS HA A 63 TRP HD1 1.0 1.990 5.462 1259 626 A 64 CYS HA A 85 TYR HE1 1.0 0.000 6.000 1260 626 A 64 CYS HA A 85 TYR HE2 1.0 0.000 6.000 1261 627 A 64 CYS HA A 55 HIS H 1.0 1.994 6.452 1262 628 A 64 CYS HA A 85 TYR HD1 1.0 1.960 4.910 1263 628 A 64 CYS HA A 85 TYR HD2 1.0 1.960 4.910 1264 629 A 65 ARG H A 85 TYR HA 1.0 1.975 5.133 1265 630 A 57 CYS HA A 58 ALA H 1.0 1.688 3.150 1266 631 A 73 TYR H A 72 GLU HA 1.0 1.713 3.255 1267 632 A 58 ALA H A 78 ASN HA 1.0 2.000 5.982 1268 633 A 78 ASN HD21 A 78 ASN HA 1.0 1.957 4.873 1269 634 A 73 TYR H A 73 TYR HA 1.0 1.825 3.807 1270 635 A 89 ARG H A 72 GLU HA 1.0 1.999 5.885 1271 636 A 75 ASP H A 88 CYS HA 1.0 1.901 4.321 1272 637 A 89 ARG H A 88 CYS HA 1.0 1.642 2.972 1273 638 A 16 VAL H A 15 THR HA 1.0 1.565 2.703 1274 639 A 63 TRP H A 89 ARG HA 1.0 1.959 4.893 1275 640 A 89 ARG H A 89 ARG HA 1.0 1.903 4.335 1276 641 A 16 VAL H A 16 VAL HA 1.0 1.787 3.605 1277 642 A 63 TRP H A 62 GLY HA2 1.0 1.691 3.163 1278 643 A 16 VAL HA A 21 PHE H 1.0 1.998 5.746 1279 644 A 69 PHE H A 72 GLU HA 1.0 2.000 5.858 1280 645 A 91 GLY H A 72 GLU HA 1.0 1.742 3.386 1281 646 A 80 ASP H A 78 ASN HA 1.0 1.827 3.823 1282 647 A 88 CYS H A 88 CYS HA 1.0 1.858 4.014 1283 648 A 87 CYS H A 88 CYS HA 1.0 1.994 6.438 1284 649 A 41 ARG H A 15 THR HA 1.0 1.963 4.949 1285 650 A 68 CYS H A 69 PHE HA 1.0 1.988 5.388 1286 651 A 70 SER H A 69 PHE HA 1.0 1.620 2.892 1287 652 A 17 SER H A 16 VAL HA 1.0 1.530 2.594 1288 653 A 59 ASN H A 57 CYS HA 1.0 1.932 4.600 1289 654 A 63 TRP HE1 A 63 TRP HA 1.0 1.994 6.444 1290 655 A 63 TRP HE1 A 54 SER HA 1.0 1.880 4.166 1291 656 A 63 TRP HE1 A 54 SER HB2 1.0 1.940 4.674 1292 657 A 65 ARG H A 86 ARG HA 1.0 1.999 6.117 1293 658 A 73 TYR H A 90 PRO HA 1.0 1.920 4.476 1294 659 A 63 TRP H A 63 TRP HA 1.0 1.871 4.097 1295 660 A 89 ARG H A 90 PRO HA 1.0 2.000 5.968 1296 661 A 87 CYS H A 87 CYS HA 1.0 1.852 3.972 1297 662 A 68 CYS HA A 69 PHE H 1.0 1.682 3.130 1298 663 A 90 PRO HA A 91 GLY H 1.0 1.578 2.748 1299 664 A 43 ASN HA A 43 ASN H 1.0 1.658 3.034 1300 665 A 86 ARG H A 85 TYR HA 1.0 1.767 3.501 1301 666 A 55 HIS HD1 A 82 CYS HA 1.0 0.000 6.000 1302 667 A 44 SER H A 43 ASN HA 1.0 1.543 2.631 1303 668 A 39 ARG H A 38 ILE HA 1.0 1.550 2.656 1304 669 A 88 CYS H A 87 CYS HA 1.0 1.630 2.932 1305 670 A 28 TYR H A 28 TYR HA 1.0 1.724 3.302 1306 671 A 55 HIS HA A 63 TRP HE1 1.0 0.000 6.000 1307 672 A 54 SER HB3 A 63 TRP HE1 1.0 1.949 4.765 1308 673 A 18 ALA H A 17 SER HA 1.0 1.527 2.583 1309 674 A 18 ALA H A 17 SER HB2 1.0 1.779 3.563 1310 675 A 73 TYR H A 91 GLY HA2 1.0 1.998 6.270 1311 676 A 75 ASP H A 74 THR HA 1.0 1.610 2.858 1312 677 A 16 VAL H A 40 ARG HA 1.0 1.825 3.807 1313 678 A 19 PRO HA A 21 PHE H 1.0 1.961 4.921 1314 679 A 84 SER HA A 84 SER H 1.0 1.802 3.682 1315 680 A 30 ALA H A 29 GLY HA3 1.0 1.582 2.760 1316 681 A 89 ARG H A 74 THR HA 1.0 1.921 4.495 1317 682 A 18 ALA HA A 21 PHE H 1.0 1.785 3.589 1318 683 A 59 ASN H A 59 ASN HA 1.0 1.523 2.571 1319 684 A 87 CYS H A 79 ASN HA 1.0 1.812 3.736 1320 685 A 91 GLY HA3 A 91 GLY H 1.0 1.717 3.271 1321 686 A 17 SER H A 17 SER HB3 1.0 1.756 3.452 1322 687 A 70 SER H A 70 SER HA 1.0 1.685 3.143 1323 688 A 41 ARG H A 40 ARG HA 1.0 1.500 2.500 1324 689 A 17 SER H A 17 SER HA 1.0 1.702 3.208 1325 690 A 80 ASP H A 80 ASP HA 1.0 1.642 2.972 1326 691 A 42 GLU H A 42 GLU HA 1.0 1.701 3.205 1327 692 A 43 ASN H A 42 GLU HA 1.0 1.473 2.419 1328 693 A 31 TYR H A 31 TYR HA 1.0 1.668 3.072 1329 694 A 25 VAL H A 26 THR HB 1.0 1.954 4.830 1330 695 A 51 ASP H A 50 SER HA 1.0 1.567 2.711 1331 696 A 49 ARG H A 49 ARG HA 1.0 1.721 3.289 1332 697 A 52 HIS H A 52 HIS HA 1.0 1.769 3.515 1333 698 A 50 SER H A 50 SER HA 1.0 1.758 3.460 1334 699 A 50 SER H A 49 ARG HA 1.0 1.537 2.615 1335 700 A 1 PCA HA A 2 ALA H 1.0 1.654 3.016 1336 701 A 2 ALA HA A 2 ALA H 1.0 1.680 3.122 1337 702 A 89 ARG H A 90 PRO HD2 1.0 1.998 5.762 1338 703 A 21 PHE H A 22 ALA HA 1.0 1.992 5.524 1339 704 A 17 SER H A 17 SER HB2 1.0 1.686 3.142 1340 705 A 68 CYS H A 67 THR HA 1.0 1.466 2.398 1341 706 A 25 VAL H A 23 ALA HA 1.0 1.985 5.329 1342 707 A 48 ILE HA A 49 ARG H 1.0 1.503 2.507 1343 708 A 74 THR HA A 74 THR H 1.0 1.906 4.360 1344 709 A 60 ASN H A 60 ASN HA 1.0 1.515 2.547 1345 710 A 3 GLN HA A 4 ALA H 1.0 1.496 2.488 1346 711 A 58 ALA HA A 58 ALA H 1.0 1.610 2.858 1347 712 A 58 ALA HA A 78 ASN HD21 1.0 1.943 4.713 1348 713 A 18 ALA H A 19 PRO HD2 1.0 1.756 3.452 1349 714 A 65 ARG H A 66 PRO HA 1.0 2.000 6.086 1350 715 A 76 TRP HE1 A 74 THR HB 1.0 1.839 3.891 1351 716 A 76 TRP HE1 A 76 TRP HB3 1.0 2.000 5.966 1352 717 A 76 TRP HB2 A 76 TRP HE1 1.0 1.982 5.268 1353 718 A 57 CYS HB3 A 58 ALA H 1.0 1.826 3.814 1354 719 A 65 ARG H A 66 PRO HD2 1.0 1.996 5.658 1355 720 A 16 VAL H A 21 PHE HA 1.0 2.000 5.976 1356 721 A 75 ASP H A 74 THR HB 1.0 1.982 5.272 1357 722 A 63 TRP H A 90 PRO HD3 1.0 2.000 6.034 1358 723 A 89 ARG H A 90 PRO HD3 1.0 1.994 5.578 1359 724 A 21 PHE H A 19 PRO HD2 1.0 1.981 5.243 1360 725 A 84 SER H A 83 GLY HA2 1.0 1.674 3.096 1361 726 A 59 ASN H A 58 ALA HA 1.0 1.702 3.208 1362 727 A 67 THR HB A 68 CYS H 1.0 1.787 3.601 1363 728 A 41 ARG H A 41 ARG HA 1.0 1.689 3.157 1364 729 A 17 SER H A 19 PRO HD2 1.0 1.995 5.593 1365 730 A 42 GLU H A 41 ARG HA 1.0 0.000 6.000 1366 731 A 25 VAL H A 26 THR HA 1.0 0.000 6.000 1367 732 A 86 ARG H A 66 PRO HA 1.0 1.939 4.663 1368 733 A 25 VAL H A 22 ALA HA 1.0 1.779 3.563 1369 734 A 25 VAL H A 24 LEU HA 1.0 1.884 4.194 1370 735 A 31 TYR H A 29 GLY HA2 1.0 1.893 4.261 1371 736 A 31 TYR H A 30 ALA HA 1.0 1.807 3.705 1372 737 A 24 LEU H A 24 LEU HA 1.0 1.701 3.203 1373 738 A 56 SER HB3 A 56 SER H 1.0 1.755 3.445 1374 739 A 60 ASN H A 56 SER HB2 1.0 1.963 4.951 1375 740 A 51 ASP H A 50 SER HB3 1.0 1.863 4.047 1376 741 A 51 ASP H A 50 SER HB2 1.0 1.868 4.078 1377 742 A 50 SER H A 50 SER HB3 1.0 1.806 3.704 1378 743 A 50 SER H A 50 SER HB2 1.0 1.786 3.596 1379 744 A 92 ARG H A 91 GLY HA2 1.0 1.569 2.719 1380 745 A 35 ARG H A 32 ALA HA 1.0 1.781 3.573 1381 746 A 6 LEU H A 7 PRO HD3 1.0 1.937 4.639 1382 747 A 45 TYR H A 44 SER HB3 1.0 1.836 3.876 1383 748 A 14 LEU H A 13 GLY HA2 1.0 1.840 3.902 1384 749 A 74 THR H A 73 TYR HA 1.0 1.677 3.109 1385 750 A 39 ARG H A 15 THR HA 1.0 1.736 3.354 1386 751 A 77 PHE H A 78 ASN HA 1.0 1.986 5.344 1387 752 A 92 ARG H A 72 GLU HA 1.0 2.000 6.140 1388 753 A 15 THR H A 15 THR HA 1.0 1.802 3.680 1389 754 A 62 GLY H A 61 ARG HA 1.0 1.860 4.020 1390 755 A 38 ILE HA A 13 GLY H 1.0 1.859 4.017 1391 756 A 6 LEU H A 5 LEU HA 1.0 1.559 2.685 1392 757 A 35 ARG H A 34 TYR HA 1.0 1.798 3.660 1393 758 A 6 LEU H A 6 LEU HA 1.0 1.913 4.413 1394 759 A 77 PHE H A 77 PHE HA 1.0 1.706 3.226 1395 760 A 14 LEU H A 11 TYR HA 1.0 1.941 4.681 1396 761 A 45 TYR H A 45 TYR HA 1.0 1.713 3.257 1397 762 A 46 GLN H A 45 TYR HA 1.0 1.564 2.702 1398 763 A 5 LEU H A 5 LEU HA 1.0 1.773 3.529 1399 764 A 44 SER HA A 45 TYR H 1.0 0.000 6.000 1400 765 A 40 ARG H A 40 ARG HA 1.0 1.760 3.470 1401 766 A 47 ARG H A 46 GLN HA 1.0 1.497 2.491 1402 767 A 62 GLY H A 60 ASN HA 1.0 1.801 3.679 1403 768 A 48 ILE H A 47 ARG HA 1.0 1.537 2.613 1404 769 A 31 TYR HA A 32 ALA H 1.0 1.835 3.865 1405 770 A 14 LEU H A 12 ALA HA 1.0 1.834 3.860 1406 771 A 48 ILE H A 48 ILE HA 1.0 1.751 3.427 1407 772 A 77 PHE H A 76 TRP HA 1.0 1.868 4.078 1408 773 A 14 LEU H A 13 GLY HA3 1.0 1.848 3.950 1409 774 A 62 GLY H A 56 SER HB2 1.0 1.998 5.756 1410 775 A 13 GLY H A 12 ALA HA 1.0 1.567 2.711 1411 776 A 13 GLY H A 13 GLY HA3 1.0 1.721 3.293 1412 777 A 63 TRP HA A 64 CYS H 1.0 1.671 3.085 1413 778 A 29 GLY HA3 A 29 GLY H 1.0 1.666 3.064 1414 779 A 7 PRO HA A 9 ALA H 1.0 1.872 4.104 1415 780 A 37 ASN H A 36 TYR HA 1.0 1.806 3.706 1416 781 A 63 TRP HA A 57 CYS H 1.0 1.812 3.736 1417 782 A 85 TYR H A 84 SER HA 1.0 1.853 3.981 1418 783 A 79 ASN HD21 A 86 ARG HA 1.0 1.981 5.227 1419 784 A 82 CYS HA A 83 GLY H 1.0 1.901 4.313 1420 785 A 57 CYS HA A 57 CYS H 1.0 1.787 3.601 1421 786 A 14 LEU H A 15 THR HA 1.0 2.000 6.092 1422 787 A 72 GLU H A 72 GLU HA 1.0 1.852 3.974 1423 788 A 78 ASN H A 78 ASN HA 1.0 1.809 3.723 1424 789 A 72 GLU H A 73 TYR HA 1.0 2.000 5.882 1425 790 A 79 ASN H A 78 ASN HA 1.0 1.786 3.594 1426 791 A 77 PHE HD2 A 78 ASN HA 1.0 1.982 5.272 1427 791 A 77 PHE HD1 A 78 ASN HA 1.0 1.982 5.272 1428 792 A 61 ARG H A 61 ARG HA 1.0 1.792 3.628 1429 793 A 43 ASN HD22 A 43 ASN HA 1.0 1.949 4.771 1430 794 A 76 TRP H A 75 ASP HA 1.0 1.594 2.802 1431 795 A 60 ASN HD22 A 63 TRP HA 1.0 0.000 6.000 1432 796 A 11 TYR HA A 11 TYR H 1.0 1.754 3.444 1433 797 A 81 VAL HA A 83 GLY H 1.0 1.918 4.456 1434 798 A 82 CYS H A 79 ASN HA 1.0 1.959 4.897 1435 799 A 56 SER HA A 57 CYS H 1.0 1.604 2.838 1436 800 A 26 THR H A 26 THR HB 1.0 1.568 2.714 1437 801 A 37 ASN H A 37 ASN HA 1.0 1.487 2.463 1438 802 A 56 SER HA A 64 CYS H 1.0 1.926 4.536 1439 803 A 61 ARG H A 60 ASN HA 1.0 1.781 3.575 1440 804 A 72 GLU H A 70 SER HA 1.0 1.890 4.238 1441 805 A 11 TYR H A 12 ALA HA 1.0 1.986 5.348 1442 806 A 76 TRP HA A 79 ASN HD21 1.0 1.856 3.994 1443 807 A 26 THR H A 23 ALA HA 1.0 1.786 3.596 1444 808 A 11 TYR H A 10 SER HA 1.0 1.856 4.000 1445 809 A 26 THR H A 22 ALA HA 1.0 1.910 4.394 1446 810 A 26 THR H A 24 LEU HA 1.0 1.991 5.461 1447 811 A 10 SER H A 10 SER HA 1.0 1.678 3.112 1448 812 A 9 ALA H A 10 SER HA 1.0 1.981 5.247 1449 813 A 57 CYS H A 56 SER HB2 1.0 1.765 3.489 1450 814 A 56 SER HB3 A 57 CYS H 1.0 0.000 6.000 1451 815 A 29 GLY HA2 A 29 GLY H 1.0 1.610 2.858 1452 816 A 83 GLY H A 83 GLY HA2 1.0 1.699 3.199 1453 817 A 37 ASN H A 33 LEU HA 1.0 1.995 5.627 1454 818 A 32 ALA HA A 32 ALA H 1.0 1.583 2.763 1455 819 A 15 THR H A 15 THR HB 1.0 1.656 3.026 1456 820 A 71 HIS HD2 A 72 GLU HA 1.0 2.000 6.056 1457 821 A 78 ASN HD22 A 78 ASN HA 1.0 1.982 5.268 1458 822 A 76 TRP HD1 A 75 ASP HA 1.0 1.891 4.237 1459 823 A 21 PHE HE1 A 39 ARG HA 1.0 1.690 3.162 1460 823 A 21 PHE HE2 A 39 ARG HA 1.0 1.690 3.162 1461 824 A 89 ARG HE A 89 ARG HA 1.0 1.954 4.838 1462 825 A 69 PHE HZ A 69 PHE HA 1.0 0.000 6.000 1463 826 A 69 PHE HE2 A 69 PHE HA 1.0 0.000 6.000 1464 826 A 69 PHE HE1 A 69 PHE HA 1.0 0.000 6.000 1465 827 A 69 PHE HD1 A 69 PHE HA 1.0 1.584 2.766 1466 827 A 69 PHE HD2 A 69 PHE HA 1.0 1.584 2.766 1467 828 A 39 ARG HE A 15 THR HA 1.0 1.998 5.782 1468 829 A 73 TYR HD1 A 73 TYR HA 1.0 0.000 6.000 1469 829 A 73 TYR HD2 A 73 TYR HA 1.0 0.000 6.000 1470 830 A 21 PHE HD2 A 15 THR HA 1.0 1.990 5.444 1471 830 A 21 PHE HD1 A 15 THR HA 1.0 1.990 5.444 1472 831 A 11 TYR HD2 A 16 VAL HA 1.0 1.972 5.082 1473 831 A 11 TYR HD1 A 16 VAL HA 1.0 1.972 5.082 1474 832 A 21 PHE HD2 A 39 ARG HA 1.0 0.000 6.000 1475 832 A 21 PHE HD1 A 39 ARG HA 1.0 0.000 6.000 1476 833 A 73 TYR HE2 A 73 TYR HA 1.0 0.000 6.000 1477 833 A 73 TYR HE1 A 73 TYR HA 1.0 0.000 6.000 1478 834 A 73 TYR HE2 A 89 ARG HA 1.0 1.996 5.632 1479 834 A 73 TYR HE1 A 89 ARG HA 1.0 1.996 5.632 1480 835 A 75 ASP HA A 73 TYR HE2 1.0 1.740 3.378 1481 835 A 75 ASP HA A 73 TYR HE1 1.0 1.740 3.378 1482 836 A 85 TYR HA A 85 TYR HD1 1.0 1.580 2.752 1483 836 A 85 TYR HA A 85 TYR HD2 1.0 1.580 2.752 1484 837 A 85 TYR HA A 85 TYR HE1 1.0 0.000 6.000 1485 837 A 85 TYR HA A 85 TYR HE2 1.0 0.000 6.000 1486 838 A 51 ASP HA A 54 SER H 1.0 1.993 5.523 1487 839 A 28 TYR HA A 27 VAL H 1.0 1.998 5.756 1488 840 A 78 ASN H A 79 ASN HA 1.0 1.986 5.342 1489 841 A 60 ASN HD22 A 60 ASN HA 1.0 1.705 3.221 1490 842 A 36 TYR H A 36 TYR HA 1.0 1.753 3.435 1491 843 A 79 ASN H A 77 PHE HA 1.0 1.918 4.468 1492 844 A 34 TYR H A 34 TYR HA 1.0 1.692 3.166 1493 845 A 54 SER H A 54 SER HA 1.0 1.840 3.900 1494 846 A 54 SER HB2 A 54 SER H 1.0 0.000 6.000 1495 847 A 63 TRP HE3 A 54 SER HB2 1.0 0.000 6.000 1496 848 A 77 PHE HD2 A 77 PHE HA 1.0 1.520 2.560 1497 848 A 77 PHE HD1 A 77 PHE HA 1.0 1.520 2.560 1498 849 A 81 VAL H A 80 ASP HA 1.0 1.846 3.934 1499 850 A 81 VAL H A 81 VAL HA 1.0 1.688 3.152 1500 851 A 34 TYR H A 31 TYR HA 1.0 1.811 3.731 1501 852 A 79 ASN H A 79 ASN HA 1.0 1.743 3.387 1502 853 A 26 THR HB A 27 VAL H 1.0 1.715 3.263 1503 854 A 59 ASN HA A 59 ASN HD21 1.0 1.970 5.048 1504 855 A 76 TRP HA A 76 TRP HE3 1.0 1.688 3.152 1505 856 A 27 VAL H A 23 ALA HA 1.0 1.963 4.943 1506 857 A 76 TRP HD1 A 76 TRP HA 1.0 0.000 6.000 1507 858 A 63 TRP HE3 A 56 SER HA 1.0 1.719 3.279 1508 859 A 55 HIS HD2 A 55 HIS HA 1.0 1.879 4.151 1509 860 A 23 ALA H A 23 ALA HA 1.0 1.641 2.971 1510 861 A 78 ASN H A 76 TRP HA 1.0 0.000 6.000 1511 862 A 23 ALA H A 22 ALA HA 1.0 1.846 3.936 1512 863 A 36 TYR H A 32 ALA HA 1.0 1.992 5.492 1513 864 A 60 ASN HD22 A 56 SER HB3 1.0 1.881 4.169 1514 865 A 33 LEU HA A 36 TYR H 1.0 1.884 4.186 1515 866 A 34 TYR H A 32 ALA HA 1.0 1.951 4.797 1516 867 A 54 SER HB3 A 54 SER H 1.0 1.730 3.334 1517 868 A 58 ALA HA A 61 ARG H 1.0 2.000 6.034 1518 869 A 26 THR H A 26 THR HA 1.0 1.621 2.897 1519 870 A 29 GLY H A 26 THR HA 1.0 1.988 5.382 1520 871 A 10 SER H A 7 PRO HD3 1.0 2.000 5.926 1521 872 A 85 TYR H A 66 PRO HA 1.0 1.999 6.159 1522 873 A 51 ASP HA A 52 HIS HD2 1.0 1.988 5.398 1523 874 A 21 PHE HE1 A 38 ILE HA 1.0 1.983 5.275 1524 874 A 21 PHE HE2 A 38 ILE HA 1.0 1.983 5.275 1525 875 A 28 TYR HD2 A 28 TYR HA 1.0 0.000 6.000 1526 875 A 28 TYR HD1 A 28 TYR HA 1.0 0.000 6.000 1527 876 A 61 ARG HE A 61 ARG HA 1.0 1.955 4.843 1528 877 A 69 PHE HD1 A 68 CYS HA 1.0 1.946 4.742 1529 877 A 69 PHE HD2 A 68 CYS HA 1.0 1.946 4.742 1530 878 A 45 TYR HA A 45 TYR HD2 1.0 0.000 6.000 1531 878 A 45 TYR HA A 45 TYR HD1 1.0 0.000 6.000 1532 879 A 36 TYR HD1 A 36 TYR HA 1.0 1.648 2.996 1533 879 A 36 TYR HD2 A 36 TYR HA 1.0 1.648 2.996 1534 880 A 55 HIS HA A 63 TRP HH2 1.0 1.825 3.807 1535 881 A 36 TYR HD1 A 12 ALA HA 1.0 1.867 4.071 1536 881 A 36 TYR HD2 A 12 ALA HA 1.0 1.867 4.071 1537 882 A 71 HIS HD2 A 70 SER HA 1.0 1.978 5.186 1538 883 A 43 ASN HD21 A 43 ASN HA 1.0 1.965 4.969 1539 884 A 65 ARG HA A 63 TRP HD1 1.0 1.907 4.369 1540 885 A 11 TYR HD2 A 11 TYR HA 1.0 1.624 2.910 1541 885 A 11 TYR HD1 A 11 TYR HA 1.0 1.624 2.910 1542 886 A 12 ALA H A 11 TYR HA 1.0 1.786 3.596 1543 887 A 11 TYR HE2 A 6 LEU HA 1.0 1.949 4.779 1544 887 A 11 TYR HE1 A 6 LEU HA 1.0 1.949 4.779 1545 888 A 11 TYR HE2 A 7 PRO HA 1.0 0.000 6.000 1546 888 A 11 TYR HE1 A 7 PRO HA 1.0 0.000 6.000 1547 889 A 28 TYR HE1 A 28 TYR HA 1.0 0.000 6.000 1548 889 A 28 TYR HE2 A 28 TYR HA 1.0 0.000 6.000 1549 890 A 21 PHE HD2 A 38 ILE HA 1.0 1.997 5.669 1550 890 A 21 PHE HD1 A 38 ILE HA 1.0 1.997 5.669 1551 891 A 65 ARG HA A 85 TYR HE1 1.0 1.890 4.232 1552 891 A 65 ARG HA A 85 TYR HE2 1.0 1.890 4.232 1553 892 A 85 TYR HE1 A 54 SER HA 1.0 1.803 3.687 1554 892 A 85 TYR HE2 A 54 SER HA 1.0 1.803 3.687 1555 893 A 7 PRO HA A 28 TYR HE1 1.0 1.923 4.507 1556 893 A 7 PRO HA A 28 TYR HE2 1.0 1.923 4.507 1557 894 A 34 TYR HE2 A 34 TYR HA 1.0 0.000 6.000 1558 894 A 34 TYR HE1 A 34 TYR HA 1.0 0.000 6.000 1559 895 A 73 TYR HD1 A 92 ARG HA 1.0 1.892 4.246 1560 895 A 73 TYR HD2 A 92 ARG HA 1.0 1.892 4.246 1561 896 A 21 PHE HD2 A 40 ARG HA 1.0 1.748 3.414 1562 896 A 21 PHE HD1 A 40 ARG HA 1.0 1.748 3.414 1563 897 A 44 SER HA A 45 TYR HD2 1.0 1.984 5.290 1564 897 A 44 SER HA A 45 TYR HD1 1.0 1.984 5.290 1565 898 A 31 TYR HD1 A 31 TYR HA 1.0 1.655 3.023 1566 898 A 31 TYR HD2 A 31 TYR HA 1.0 1.655 3.023 1567 899 A 34 TYR HD2 A 31 TYR HA 1.0 1.781 3.573 1568 899 A 34 TYR HD1 A 31 TYR HA 1.0 1.781 3.573 1569 900 A 40 ARG HE A 18 ALA HA 1.0 1.928 4.554 1570 901 A 31 TYR HA A 35 ARG HE 1.0 1.993 5.535 1571 902 A 60 ASN HD21 A 60 ASN HA 1.0 1.934 4.614 1572 903 A 12 ALA H A 12 ALA HA 1.0 1.666 3.066 1573 904 A 11 TYR HD2 A 10 SER HA 1.0 1.983 5.287 1574 904 A 11 TYR HD1 A 10 SER HA 1.0 1.983 5.287 1575 905 A 12 ALA H A 10 SER HA 1.0 1.872 4.108 1576 906 A 76 TRP HA A 76 TRP HZ3 1.0 1.963 4.947 1577 907 A 89 ARG HE A 90 PRO HD2 1.0 1.984 5.296 1578 908 A 20 VAL H A 17 SER HB2 1.0 1.989 5.423 1579 909 A 54 SER HB2 A 85 TYR HE1 1.0 1.842 3.906 1580 909 A 54 SER HB2 A 85 TYR HE2 1.0 1.842 3.906 1581 910 A 36 TYR HE1 A 36 TYR HA 1.0 0.000 6.000 1582 910 A 36 TYR HE2 A 36 TYR HA 1.0 0.000 6.000 1583 911 A 54 SER HB2 A 55 HIS H 1.0 1.990 5.446 1584 912 A 85 TYR HD1 A 54 SER HB2 1.0 1.927 4.539 1585 912 A 85 TYR HD2 A 54 SER HB2 1.0 1.927 4.539 1586 913 A 55 HIS H A 54 SER HA 1.0 1.739 3.375 1587 914 A 85 TYR HD1 A 54 SER HA 1.0 1.820 3.778 1588 914 A 85 TYR HD2 A 54 SER HA 1.0 1.820 3.778 1589 915 A 90 PRO HA A 73 TYR HE2 1.0 2.000 5.880 1590 915 A 90 PRO HA A 73 TYR HE1 1.0 2.000 5.880 1591 916 A 65 ARG HA A 85 TYR HD1 1.0 1.876 4.136 1592 916 A 65 ARG HA A 85 TYR HD2 1.0 1.876 4.136 1593 917 A 92 ARG HA A 73 TYR HE2 1.0 1.975 5.131 1594 917 A 92 ARG HA A 73 TYR HE1 1.0 1.975 5.131 1595 918 A 65 ARG HA A 67 THR H 1.0 1.960 4.904 1596 919 A 45 TYR HE2 A 47 ARG HA 1.0 1.953 4.823 1597 919 A 45 TYR HE1 A 47 ARG HA 1.0 1.953 4.823 1598 920 A 21 PHE HD2 A 18 ALA HA 1.0 1.831 3.841 1599 920 A 21 PHE HD1 A 18 ALA HA 1.0 1.831 3.841 1600 921 A 37 ASN HD22 A 37 ASN HA 1.0 1.952 4.814 1601 922 A 55 HIS HA A 55 HIS H 1.0 1.901 4.319 1602 923 A 91 GLY HA3 A 73 TYR HE2 1.0 1.853 3.979 1603 923 A 91 GLY HA3 A 73 TYR HE1 1.0 1.853 3.979 1604 924 A 36 TYR HE1 A 12 ALA HA 1.0 0.000 6.000 1605 924 A 36 TYR HE2 A 12 ALA HA 1.0 0.000 6.000 1606 925 A 37 ASN HD22 A 13 GLY HA3 1.0 1.968 5.016 1607 926 A 28 TYR HE1 A 24 LEU HA 1.0 1.757 3.453 1608 926 A 28 TYR HE2 A 24 LEU HA 1.0 1.757 3.453 1609 927 A 21 PHE HD2 A 22 ALA HA 1.0 1.758 3.460 1610 927 A 21 PHE HD1 A 22 ALA HA 1.0 1.758 3.460 1611 928 A 54 SER HB3 A 85 TYR HE1 1.0 1.733 3.347 1612 928 A 54 SER HB3 A 85 TYR HE2 1.0 1.733 3.347 1613 929 A 36 TYR HE1 A 32 ALA HA 1.0 1.889 4.225 1614 929 A 36 TYR HE2 A 32 ALA HA 1.0 1.889 4.225 1615 930 A 54 SER HB3 A 55 HIS H 1.0 1.983 5.283 1616 931 A 54 SER HB3 A 85 TYR HD1 1.0 1.872 4.108 1617 931 A 54 SER HB3 A 85 TYR HD2 1.0 1.872 4.108 1618 932 A 73 TYR HE2 A 91 GLY HA2 1.0 1.861 4.029 1619 932 A 73 TYR HE1 A 91 GLY HA2 1.0 1.861 4.029 1620 933 A 36 TYR HE1 A 33 LEU HA 1.0 1.997 5.707 1621 933 A 36 TYR HE2 A 33 LEU HA 1.0 1.997 5.707 1622 934 A 33 LEU H A 32 ALA HA 1.0 1.890 4.230 1623 935 A 32 ALA HA A 35 ARG HE 1.0 1.952 4.810 1624 936 A 54 SER HB3 A 63 TRP HD1 1.0 1.991 5.469 1625 937 A 86 ARG HE A 67 THR HA 1.0 1.999 6.105 1626 938 A 31 TYR HD1 A 32 ALA HA 1.0 1.873 4.117 1627 938 A 31 TYR HD2 A 32 ALA HA 1.0 1.873 4.117 1628 939 A 40 ARG HE A 41 ARG HA 1.0 1.997 6.321 1629 940 A 33 LEU H A 33 LEU HA 1.0 1.645 2.983 1630 941 A 20 VAL H A 19 PRO HD3 1.0 1.911 4.403 1631 942 A 58 ALA HA A 61 ARG HE 1.0 2.000 5.964 1632 943 A 90 PRO HD3 A 89 ARG HE 1.0 1.940 4.678 1633 944 A 78 ASN HD22 A 58 ALA HA 1.0 1.896 4.284 1634 945 A 63 TRP HZ3 A 56 SER HB2 1.0 1.993 5.541 1635 946 A 63 TRP HZ3 A 56 SER HB3 1.0 1.975 5.133 1636 947 A 56 SER HB3 A 63 TRP HH2 1.0 0.000 6.000 1637 948 A 28 TYR HD2 A 24 LEU HA 1.0 1.623 2.903 1638 948 A 28 TYR HD1 A 24 LEU HA 1.0 1.623 2.903 1639 949 A 36 TYR HD1 A 32 ALA HA 1.0 1.889 4.233 1640 949 A 36 TYR HD2 A 32 ALA HA 1.0 1.889 4.233 1641 950 A 26 THR HA A 27 VAL H 1.0 1.854 3.986 1642 951 A 66 PRO HA A 85 TYR HE1 1.0 1.787 3.605 1643 951 A 66 PRO HA A 85 TYR HE2 1.0 1.787 3.605 1644 952 A 45 TYR HE2 A 44 SER HB2 1.0 2.000 6.066 1645 952 A 45 TYR HE1 A 44 SER HB2 1.0 2.000 6.066 1646 953 A 11 TYR HE2 A 7 PRO HD3 1.0 1.996 5.648 1647 953 A 11 TYR HE1 A 7 PRO HD3 1.0 1.996 5.648 1648 954 A 90 PRO HD3 A 73 TYR HE2 1.0 1.986 5.358 1649 954 A 90 PRO HD3 A 73 TYR HE1 1.0 1.986 5.358 1650 955 A 85 TYR HD1 A 66 PRO HA 1.0 1.750 3.422 1651 955 A 85 TYR HD2 A 66 PRO HA 1.0 1.750 3.422 1652 956 A 67 THR H A 67 THR HA 1.0 1.762 3.474 1653 957 A 63 TRP H A 62 GLY HA3 1.0 1.725 3.309 1654 958 A 65 ARG H A 85 TYR HB3 1.0 1.951 4.797 1655 959 A 63 TRP HE1 A 64 CYS HB2 1.0 1.999 6.187 1656 960 A 63 TRP HE1 A 63 TRP HB2 1.0 1.997 5.709 1657 961 A 65 ARG H A 64 CYS HB2 1.0 1.970 5.048 1658 962 A 65 ARG H A 85 TYR HB2 1.0 1.866 4.064 1659 963 A 78 ASN HB2 A 58 ALA H 1.0 1.906 4.360 1660 964 A 78 ASN HB2 A 78 ASN HD21 1.0 1.787 3.605 1661 965 A 73 TYR H A 68 CYS HB3 1.0 1.979 5.209 1662 966 A 73 TYR H A 73 TYR HB2 1.0 1.922 4.498 1663 967 A 89 ARG H A 68 CYS HB3 1.0 1.985 5.317 1664 968 A 21 PHE HB2 A 21 PHE H 1.0 1.656 3.028 1665 969 A 18 ALA H A 21 PHE HB3 1.0 1.997 5.699 1666 970 A 57 CYS HB2 A 58 ALA H 1.0 1.775 3.541 1667 971 A 73 TYR H A 73 TYR HB3 1.0 1.886 4.210 1668 972 A 73 TYR H A 88 CYS HB2 1.0 1.996 5.674 1669 973 A 63 TRP H A 63 TRP HB2 1.0 1.830 3.840 1670 974 A 63 TRP H A 63 TRP HB3 1.0 1.845 3.931 1671 975 A 89 ARG H A 88 CYS HB3 1.0 1.972 5.088 1672 976 A 89 ARG H A 88 CYS HB2 1.0 1.935 4.625 1673 977 A 21 PHE H A 21 PHE HB3 1.0 1.632 2.938 1674 978 A 59 ASN H A 59 ASN HB3 1.0 0.000 6.000 1675 979 A 87 CYS H A 87 CYS HB3 1.0 1.731 3.335 1676 980 A 87 CYS H A 87 CYS HB2 1.0 1.742 3.384 1677 981 A 59 ASN H A 57 CYS HB2 1.0 1.937 4.641 1678 982 A 18 ALA H A 40 ARG HD2 1.0 2.000 5.988 1679 983 A 65 ARG H A 82 CYS HB2 1.0 1.997 6.297 1680 984 A 63 TRP HE1 A 63 TRP HB3 1.0 1.990 5.450 1681 985 A 75 ASP H A 75 ASP HB3 1.0 1.804 3.692 1682 986 A 78 ASN HB3 A 58 ALA H 1.0 1.965 4.989 1683 987 A 78 ASN HB3 A 78 ASN HD21 1.0 1.763 3.485 1684 988 A 73 TYR H A 72 GLU HB3 1.0 1.889 4.231 1685 989 A 18 ALA H A 19 PRO HG3 1.0 1.961 4.925 1686 990 A 18 ALA H A 19 PRO HG2 1.0 1.966 4.990 1687 991 A 73 TYR H A 72 GLU HG3 1.0 1.977 5.171 1688 992 A 75 ASP HB2 A 78 ASN HD21 1.0 1.999 6.207 1689 993 A 75 ASP H A 75 ASP HB2 1.0 1.825 3.809 1690 994 A 83 GLY HA3 A 84 SER H 1.0 0.000 6.000 1691 995 A 28 TYR H A 27 VAL HA 1.0 1.851 3.963 1692 996 A 71 HIS HB3 A 91 GLY H 1.0 1.982 5.264 1693 997 A 70 SER H A 69 PHE HB2 1.0 1.678 3.112 1694 998 A 91 GLY H A 71 HIS HB2 1.0 2.000 5.994 1695 999 A 88 CYS H A 62 GLY HA3 1.0 1.998 6.248 1696 1000 A 21 PHE HA A 25 VAL H 1.0 1.899 4.301 1697 1001 A 74 THR H A 74 THR HB 1.0 1.753 3.433 1698 1002 A 71 HIS H A 71 HIS HB3 1.0 1.907 4.363 1699 1003 A 71 HIS H A 71 HIS HB2 1.0 1.936 4.640 1700 1004 A 56 SER H A 55 HIS HB2 1.0 1.742 3.388 1701 1005 A 55 HIS HD1 A 57 CYS HB3 1.0 1.938 4.656 1702 1006 A 22 ALA H A 21 PHE HA 1.0 1.777 3.555 1703 1007 A 35 ARG H A 35 ARG HA 1.0 1.660 3.044 1704 1008 A 62 GLY H A 62 GLY HA3 1.0 1.804 3.692 1705 1009 A 77 PHE H A 76 TRP HB3 1.0 1.889 4.231 1706 1010 A 52 HIS H A 52 HIS HB3 1.0 1.742 3.386 1707 1011 A 52 HIS H A 52 HIS HB2 1.0 1.760 3.468 1708 1012 A 86 ARG H A 85 TYR HB3 1.0 1.879 4.153 1709 1013 A 52 HIS HB2 A 52 HIS HD1 1.0 1.967 5.003 1710 1014 A 31 TYR H A 31 TYR HB2 1.0 1.580 2.754 1711 1015 A 68 CYS HB3 A 68 CYS H 1.0 1.800 3.668 1712 1016 A 68 CYS HB3 A 69 PHE H 1.0 1.787 3.599 1713 1017 A 25 VAL HA A 25 VAL H 1.0 1.651 3.005 1714 1018 A 74 THR H A 73 TYR HB2 1.0 1.795 3.643 1715 1019 A 56 SER H A 55 HIS HB3 1.0 1.680 3.120 1716 1020 A 60 ASN H A 60 ASN HB2 1.0 1.879 4.153 1717 1021 A 39 ARG H A 37 ASN HB3 1.0 0.000 6.000 1718 1022 A 41 ARG H A 40 ARG HD3 1.0 1.982 5.256 1719 1023 A 30 ALA H A 31 TYR HB3 1.0 1.986 5.334 1720 1024 A 41 ARG H A 21 PHE HB3 1.0 1.962 4.934 1721 1025 A 80 ASP H A 87 CYS HB3 1.0 0.000 6.000 1722 1026 A 31 TYR H A 31 TYR HB3 1.0 1.596 2.808 1723 1027 A 86 ARG H A 85 TYR HB2 1.0 1.706 3.228 1724 1028 A 52 HIS H A 51 ASP HB3 1.0 1.715 3.265 1725 1029 A 73 TYR HB3 A 74 THR H 1.0 1.838 3.886 1726 1030 A 10 SER H A 8 ILE HA 1.0 1.912 4.404 1727 1031 A 37 ASN H A 35 ARG HA 1.0 1.917 4.453 1728 1032 A 29 GLY H A 27 VAL HA 1.0 1.970 5.048 1729 1033 A 83 GLY HA3 A 83 GLY H 1.0 1.626 2.914 1730 1034 A 26 THR H A 27 VAL HA 1.0 0.000 6.000 1731 1035 A 57 CYS HB3 A 57 CYS H 1.0 1.933 4.603 1732 1036 A 11 TYR H A 8 ILE HA 1.0 1.888 4.216 1733 1037 A 10 SER H A 9 ALA HA 1.0 1.855 3.995 1734 1038 A 9 ALA H A 9 ALA HA 1.0 1.620 2.894 1735 1039 A 62 GLY HA3 A 57 CYS H 1.0 1.991 5.455 1736 1040 A 72 GLU H A 71 HIS HB3 1.0 1.951 4.795 1737 1041 A 11 TYR H A 9 ALA HA 1.0 1.872 4.104 1738 1042 A 72 GLU H A 71 HIS HB2 1.0 1.987 5.359 1739 1043 A 34 TYR H A 35 ARG HA 1.0 1.967 5.007 1740 1044 A 35 ARG HA A 36 TYR H 1.0 1.864 4.050 1741 1045 A 23 ALA H A 20 VAL HA 1.0 0.000 6.000 1742 1046 A 76 TRP HZ2 A 74 THR HB 1.0 1.940 4.670 1743 1047 A 76 TRP H A 74 THR HB 1.0 1.995 5.609 1744 1048 A 27 VAL H A 27 VAL HA 1.0 1.690 3.160 1745 1049 A 76 TRP HD1 A 74 THR HB 1.0 1.896 4.276 1746 1050 A 79 ASN HD21 A 76 TRP HB3 1.0 1.991 5.485 1747 1051 A 61 ARG H A 61 ARG HD2 1.0 1.996 5.648 1748 1052 A 60 ASN H A 60 ASN HB3 1.0 1.854 3.984 1749 1053 A 14 LEU H A 11 TYR HB3 1.0 1.947 4.749 1750 1054 A 31 TYR HB2 A 32 ALA H 1.0 0.000 6.000 1751 1055 A 53 ASP H A 52 HIS HB3 1.0 1.927 4.539 1752 1056 A 85 TYR H A 85 TYR HB3 1.0 1.771 3.521 1753 1057 A 9 ALA H A 36 TYR HB3 1.0 2.000 6.004 1754 1058 A 37 ASN H A 36 TYR HB3 1.0 1.908 4.370 1755 1059 A 25 VAL HA A 29 GLY H 1.0 1.633 2.937 1756 1060 A 64 CYS HB2 A 64 CYS H 1.0 1.824 3.800 1757 1061 A 44 SER H A 45 TYR HB3 1.0 2.000 5.908 1758 1062 A 35 ARG H A 35 ARG HD2 1.0 1.994 5.560 1759 1063 A 77 PHE H A 76 TRP HB2 1.0 1.821 3.785 1760 1064 A 45 TYR HB2 A 45 TYR H 1.0 0.000 6.000 1761 1065 A 45 TYR HB2 A 46 GLN H 1.0 1.877 4.133 1762 1066 A 45 TYR H A 45 TYR HB3 1.0 1.699 3.197 1763 1067 A 46 GLN H A 45 TYR HB3 1.0 1.893 4.253 1764 1068 A 31 TYR HB3 A 32 ALA H 1.0 1.699 3.195 1765 1069 A 81 VAL H A 57 CYS HB3 1.0 2.000 6.036 1766 1070 A 21 PHE HE1 A 21 PHE HA 1.0 1.919 4.465 1767 1070 A 21 PHE HE2 A 21 PHE HA 1.0 1.919 4.465 1768 1071 A 69 PHE HE2 A 69 PHE HB2 1.0 1.957 4.877 1769 1071 A 69 PHE HE1 A 69 PHE HB2 1.0 1.957 4.877 1770 1072 A 76 TRP HE3 A 76 TRP HB3 1.0 1.729 3.327 1771 1073 A 76 TRP H A 76 TRP HB3 1.0 1.773 3.535 1772 1074 A 55 HIS HD2 A 55 HIS HB2 1.0 1.683 3.133 1773 1075 A 76 TRP HD1 A 76 TRP HB3 1.0 0.000 6.000 1774 1076 A 63 TRP HZ3 A 55 HIS HB2 1.0 2.000 6.054 1775 1077 A 36 TYR HD1 A 9 ALA HA 1.0 1.788 3.610 1776 1077 A 36 TYR HD2 A 9 ALA HA 1.0 1.788 3.610 1777 1078 A 71 HIS HD2 A 71 HIS HB2 1.0 1.785 3.595 1778 1079 A 11 TYR H A 11 TYR HB3 1.0 0.000 6.000 1779 1080 A 25 VAL HA A 26 THR H 1.0 1.804 3.690 1780 1081 A 72 GLU H A 68 CYS HB3 1.0 1.936 4.626 1781 1082 A 60 ASN HD22 A 60 ASN HB2 1.0 1.863 4.041 1782 1083 A 36 TYR HB3 A 36 TYR H 1.0 0.000 6.000 1783 1084 A 37 ASN HD21 A 37 ASN HB3 1.0 1.696 3.184 1784 1085 A 25 VAL HA A 27 VAL H 1.0 1.933 4.601 1785 1086 A 52 HIS HD2 A 52 HIS HB3 1.0 1.819 3.771 1786 1087 A 55 HIS HD1 A 64 CYS HB3 1.0 1.966 4.986 1787 1088 A 53 ASP H A 51 ASP HB3 1.0 1.993 5.525 1788 1089 A 64 CYS H A 63 TRP HB2 1.0 1.950 4.786 1789 1090 A 85 TYR H A 85 TYR HB2 1.0 1.822 3.794 1790 1091 A 79 ASN HB3 A 79 ASN HD21 1.0 1.792 3.624 1791 1092 A 79 ASN HD21 A 87 CYS HB3 1.0 0.000 6.000 1792 1093 A 88 CYS H A 88 CYS HB3 1.0 1.765 3.495 1793 1094 A 88 CYS H A 88 CYS HB2 1.0 1.890 4.232 1794 1095 A 28 TYR H A 28 TYR HB3 1.0 1.719 3.283 1795 1096 A 59 ASN H A 59 ASN HB2 1.0 1.823 3.793 1796 1097 A 89 ARG H A 73 TYR HB3 1.0 1.997 5.685 1797 1098 A 21 PHE H A 40 ARG HD2 1.0 2.000 5.856 1798 1099 A 87 CYS H A 82 CYS HB2 1.0 1.981 5.235 1799 1100 A 70 SER H A 69 PHE HB3 1.0 1.766 3.496 1800 1101 A 41 ARG H A 40 ARG HD2 1.0 1.999 5.789 1801 1102 A 86 ARG H A 82 CYS HB2 1.0 1.999 5.815 1802 1103 A 52 HIS H A 51 ASP HB2 1.0 1.710 3.242 1803 1104 A 60 ASN H A 59 ASN HB2 1.0 1.923 4.503 1804 1105 A 28 TYR HB3 A 32 ALA H 1.0 1.999 5.765 1805 1106 A 71 HIS HE1 A 69 PHE HB3 1.0 1.976 5.148 1806 1107 A 71 HIS H A 69 PHE HB3 1.0 1.997 5.731 1807 1108 A 2 ALA H A 1 PCA HB2 1.0 1.987 5.359 1808 1109 A 35 ARG H A 36 TYR HB2 1.0 1.973 5.093 1809 1110 A 13 GLY H A 37 ASN HB2 1.0 1.864 4.048 1810 1111 A 55 HIS HD1 A 81 VAL HB 1.0 0.000 6.000 1811 1112 A 53 ASP HB2 A 53 ASP H 1.0 1.819 3.777 1812 1113 A 68 CYS HB2 A 69 PHE H 1.0 1.860 4.028 1813 1114 A 68 CYS HB2 A 68 CYS H 1.0 1.661 3.043 1814 1115 A 89 ARG H A 75 ASP HB3 1.0 1.998 5.752 1815 1116 A 16 VAL H A 16 VAL HB 1.0 1.912 4.412 1816 1117 A 21 PHE H A 16 VAL HB 1.0 1.910 4.396 1817 1118 A 89 ARG H A 72 GLU HB3 1.0 1.996 5.636 1818 1119 A 17 SER H A 16 VAL HB 1.0 1.584 2.768 1819 1120 A 42 GLU HG2 A 42 GLU H 1.0 1.740 3.376 1820 1121 A 91 GLY H A 72 GLU HB3 1.0 1.953 4.819 1821 1122 A 21 PHE H A 20 VAL HB 1.0 0.000 6.000 1822 1123 A 89 ARG H A 75 ASP HB2 1.0 2.000 5.884 1823 1124 A 69 PHE H A 72 GLU HG3 1.0 1.751 3.429 1824 1125 A 42 GLU H A 42 GLU HB3 1.0 0.000 6.000 1825 1126 A 43 ASN H A 42 GLU HB3 1.0 1.747 3.407 1826 1127 A 73 TYR H A 72 GLU HG2 1.0 1.949 4.767 1827 1128 A 18 ALA H A 19 PRO HB2 1.0 1.997 5.683 1828 1129 A 73 TYR H A 72 GLU HB2 1.0 1.801 3.675 1829 1130 A 18 ALA H A 18 ALA HB% 1.0 1.530 2.590 1830 1131 A 65 ARG H A 65 ARG HB3 1.0 1.874 4.114 1831 1132 A 65 ARG H A 65 ARG HB2 1.0 1.858 4.016 1832 1133 A 63 TRP HE1 A 65 ARG HB2 1.0 1.997 5.699 1833 1134 A 58 ALA HB% A 58 ALA H 1.0 1.766 3.502 1834 1135 A 58 ALA HB% A 78 ASN HD21 1.0 1.813 3.743 1835 1136 A 16 VAL H A 39 ARG HB2 1.0 1.994 5.570 1836 1137 A 89 ARG H A 89 ARG HB3 1.0 1.907 4.367 1837 1138 A 16 VAL H A 39 ARG HB3 1.0 1.941 4.685 1838 1139 A 21 PHE H A 19 PRO HB2 1.0 1.995 5.613 1839 1140 A 69 PHE H A 72 GLU HG2 1.0 1.969 5.043 1840 1141 A 42 GLU H A 42 GLU HB2 1.0 1.669 3.077 1841 1142 A 43 ASN H A 42 GLU HB2 1.0 1.832 3.846 1842 1143 A 77 PHE H A 78 ASN HB3 1.0 1.966 4.990 1843 1144 A 25 VAL H A 24 LEU HB3 1.0 1.816 3.760 1844 1145 A 24 LEU H A 24 LEU HB3 1.0 1.649 2.997 1845 1146 A 25 VAL H A 25 VAL HB 1.0 1.577 2.741 1846 1147 A 3 GLN H A 3 GLN HB3 1.0 1.806 3.702 1847 1148 A 3 GLN H A 3 GLN HB2 1.0 1.722 3.292 1848 1149 A 2 ALA H A 1 PCA HB3 1.0 1.987 5.369 1849 1150 A 39 ARG H A 39 ARG HB2 1.0 1.834 3.860 1850 1151 A 49 ARG H A 49 ARG HB2 1.0 1.735 3.355 1851 1152 A 89 ARG HB3 A 74 THR H 1.0 0.000 6.000 1852 1153 A 50 SER H A 49 ARG HB3 1.0 0.000 6.000 1853 1154 A 60 ASN H A 61 ARG HG3 1.0 1.999 5.799 1854 1155 A 4 ALA H A 3 GLN HB2 1.0 1.915 4.435 1855 1156 A 47 ARG H A 46 GLN HB3 1.0 1.930 4.572 1856 1157 A 62 GLY H A 61 ARG HB2 1.0 1.919 4.469 1857 1158 A 4 ALA H A 3 GLN HB3 1.0 1.851 3.967 1858 1159 A 47 ARG H A 46 GLN HB2 1.0 1.837 3.879 1859 1160 A 14 LEU H A 14 LEU HB3 1.0 1.680 3.120 1860 1161 A 77 PHE H A 75 ASP HB2 1.0 1.999 5.847 1861 1162 A 62 GLY H A 61 ARG HB3 1.0 1.949 4.765 1862 1163 A 46 GLN H A 46 GLN HB3 1.0 1.710 3.242 1863 1164 A 48 ILE H A 48 ILE HB 1.0 1.661 3.043 1864 1165 A 5 LEU H A 5 LEU HB3 1.0 1.596 2.808 1865 1166 A 47 ARG H A 47 ARG HB3 1.0 1.773 3.529 1866 1167 A 40 ARG H A 39 ARG HB2 1.0 1.725 3.309 1867 1168 A 92 ARG H A 92 ARG HB3 1.0 1.793 3.631 1868 1169 A 6 LEU H A 5 LEU HB3 1.0 1.770 3.516 1869 1170 A 47 ARG H A 47 ARG HB2 1.0 1.708 3.232 1870 1171 A 39 ARG H A 39 ARG HB3 1.0 1.771 3.521 1871 1172 A 39 ARG H A 39 ARG HG2 1.0 1.843 3.913 1872 1173 A 24 LEU H A 23 ALA HB% 1.0 1.621 2.897 1873 1174 A 42 GLU H A 41 ARG HB3 1.0 1.807 3.707 1874 1175 A 30 ALA H A 30 ALA HB% 1.0 1.447 2.345 1875 1176 A 69 PHE H A 72 GLU HB2 1.0 0.000 6.000 1876 1177 A 89 ARG H A 72 GLU HB2 1.0 1.952 4.808 1877 1178 A 21 PHE H A 18 ALA HB% 1.0 1.953 4.823 1878 1179 A 6 LEU H A 6 LEU HB3 1.0 1.701 3.203 1879 1180 A 35 ARG H A 35 ARG HB3 1.0 1.578 2.748 1880 1181 A 40 ARG H A 39 ARG HB3 1.0 1.820 3.778 1881 1182 A 38 ILE H A 33 LEU HB3 1.0 1.938 4.656 1882 1183 A 28 TYR HB3 A 29 GLY H 1.0 1.854 3.986 1883 1184 A 10 SER H A 11 TYR HB2 1.0 0.000 6.000 1884 1185 A 83 GLY H A 82 CYS HB2 1.0 1.970 5.048 1885 1186 A 82 CYS H A 82 CYS HB2 1.0 1.725 3.305 1886 1187 A 37 ASN H A 37 ASN HB2 1.0 1.756 3.452 1887 1188 A 11 TYR H A 11 TYR HB2 1.0 1.737 3.363 1888 1189 A 78 ASN H A 75 ASP HB3 1.0 1.998 5.710 1889 1190 A 72 GLU H A 69 PHE HB3 1.0 1.986 5.352 1890 1191 A 61 ARG H A 60 ASN HB3 1.0 1.980 5.226 1891 1192 A 60 ASN HD22 A 60 ASN HB3 1.0 1.792 3.628 1892 1193 A 59 ASN HD21 A 59 ASN HB3 1.0 1.885 4.199 1893 1194 A 79 ASN HB3 A 76 TRP HE3 1.0 1.768 3.504 1894 1195 A 76 TRP HD1 A 76 TRP HB2 1.0 1.654 3.020 1895 1196 A 54 SER H A 51 ASP HB3 1.0 1.972 5.076 1896 1197 A 35 ARG HD3 A 36 TYR H 1.0 1.983 5.287 1897 1198 A 82 CYS HB3 A 83 GLY H 1.0 1.969 5.043 1898 1199 A 64 CYS HB3 A 64 CYS H 1.0 1.870 4.094 1899 1200 A 57 CYS HB2 A 57 CYS H 1.0 1.940 4.674 1900 1201 A 59 ASN HB2 A 59 ASN HD21 1.0 1.902 4.330 1901 1202 A 55 HIS HD2 A 82 CYS HB3 1.0 1.980 5.214 1902 1203 A 55 HIS HD2 A 55 HIS HB3 1.0 0.000 6.000 1903 1204 A 63 TRP HZ3 A 55 HIS HB3 1.0 1.995 5.615 1904 1205 A 28 TYR HD2 A 28 TYR HB2 1.0 1.566 2.708 1905 1205 A 28 TYR HD1 A 28 TYR HB2 1.0 1.566 2.708 1906 1206 A 36 TYR HD1 A 36 TYR HB3 1.0 1.633 2.941 1907 1206 A 36 TYR HD2 A 36 TYR HB3 1.0 1.633 2.941 1908 1207 A 31 TYR HD1 A 31 TYR HB2 1.0 1.563 2.699 1909 1207 A 31 TYR HD2 A 31 TYR HB2 1.0 1.563 2.699 1910 1208 A 61 ARG HE A 61 ARG HD2 1.0 1.830 3.832 1911 1209 A 76 TRP HZ3 A 76 TRP HB3 1.0 1.999 5.867 1912 1210 A 89 ARG HE A 62 GLY HA3 1.0 2.000 6.114 1913 1211 A 20 VAL H A 20 VAL HA 1.0 1.697 3.189 1914 1212 A 69 PHE HD1 A 69 PHE HB2 1.0 1.778 3.560 1915 1212 A 69 PHE HD2 A 69 PHE HB2 1.0 1.778 3.560 1916 1213 A 7 PRO HD2 A 8 ILE H 1.0 1.999 5.871 1917 1214 A 8 ILE H A 9 ALA HA 1.0 1.994 5.560 1918 1215 A 35 ARG HA A 35 ARG HE 1.0 1.992 5.486 1919 1216 A 8 ILE HA A 8 ILE H 1.0 1.667 3.067 1920 1217 A 34 TYR HD2 A 35 ARG HA 1.0 1.829 3.829 1921 1217 A 34 TYR HD1 A 35 ARG HA 1.0 1.829 3.829 1922 1218 A 11 TYR HD2 A 8 ILE HA 1.0 1.496 2.488 1923 1218 A 11 TYR HD1 A 8 ILE HA 1.0 1.496 2.488 1924 1219 A 11 TYR HE2 A 8 ILE HA 1.0 1.598 2.812 1925 1219 A 11 TYR HE1 A 8 ILE HA 1.0 1.598 2.812 1926 1220 A 21 PHE HD2 A 21 PHE HA 1.0 1.624 2.910 1927 1220 A 21 PHE HD1 A 21 PHE HA 1.0 1.624 2.910 1928 1221 A 73 TYR HD1 A 74 THR HB 1.0 1.970 5.056 1929 1221 A 73 TYR HD2 A 74 THR HB 1.0 1.970 5.056 1930 1222 A 12 ALA H A 9 ALA HA 1.0 1.754 3.440 1931 1223 A 11 TYR HD2 A 9 ALA HA 1.0 1.995 5.619 1932 1223 A 11 TYR HD1 A 9 ALA HA 1.0 1.995 5.619 1933 1224 A 66 PRO HD2 A 85 TYR HE1 1.0 1.934 4.616 1934 1224 A 66 PRO HD2 A 85 TYR HE2 1.0 1.934 4.616 1935 1225 A 36 TYR HE1 A 9 ALA HA 1.0 1.770 3.516 1936 1225 A 36 TYR HE2 A 9 ALA HA 1.0 1.770 3.516 1937 1226 A 85 TYR HD1 A 66 PRO HD2 1.0 0.000 6.000 1938 1226 A 85 TYR HD2 A 66 PRO HD2 1.0 0.000 6.000 1939 1227 A 55 HIS H A 55 HIS HB2 1.0 1.987 5.375 1940 1228 A 67 THR H A 66 PRO HD2 1.0 1.832 3.850 1941 1229 A 21 PHE HZ A 21 PHE HB3 1.0 0.000 6.000 1942 1230 A 21 PHE HZ A 40 ARG HD3 1.0 1.998 6.220 1943 1231 A 21 PHE HE1 A 40 ARG HD3 1.0 1.946 4.738 1944 1231 A 21 PHE HE2 A 40 ARG HD3 1.0 1.946 4.738 1945 1232 A 40 ARG HE A 40 ARG HD3 1.0 1.756 3.454 1946 1233 A 35 ARG HE A 35 ARG HD2 1.0 1.794 3.640 1947 1234 A 35 ARG HD3 A 35 ARG HE 1.0 1.769 3.513 1948 1235 A 45 TYR HB2 A 45 TYR HD2 1.0 1.679 3.117 1949 1235 A 45 TYR HB2 A 45 TYR HD1 1.0 1.679 3.117 1950 1236 A 31 TYR HD1 A 31 TYR HB3 1.0 1.662 3.046 1951 1236 A 31 TYR HD2 A 31 TYR HB3 1.0 1.662 3.046 1952 1237 A 45 TYR HB3 A 45 TYR HD2 1.0 1.661 3.045 1953 1237 A 45 TYR HB3 A 45 TYR HD1 1.0 1.661 3.045 1954 1238 A 33 LEU H A 28 TYR HB2 1.0 1.967 4.999 1955 1239 A 39 ARG HE A 39 ARG HD3 1.0 1.719 3.285 1956 1240 A 11 TYR HD2 A 11 TYR HB3 1.0 1.601 2.825 1957 1240 A 11 TYR HD1 A 11 TYR HB3 1.0 1.601 2.825 1958 1241 A 21 PHE HD2 A 21 PHE HB2 1.0 1.596 2.808 1959 1241 A 21 PHE HD1 A 21 PHE HB2 1.0 1.596 2.808 1960 1242 A 73 TYR HD1 A 73 TYR HB2 1.0 1.595 2.803 1961 1242 A 73 TYR HD2 A 73 TYR HB2 1.0 1.595 2.803 1962 1243 A 85 TYR HB3 A 85 TYR HE1 1.0 0.000 6.000 1963 1243 A 85 TYR HB3 A 85 TYR HE2 1.0 0.000 6.000 1964 1244 A 37 ASN HD22 A 37 ASN HB3 1.0 1.761 3.473 1965 1245 A 64 CYS HB2 A 85 TYR HE1 1.0 1.941 4.691 1966 1245 A 64 CYS HB2 A 85 TYR HE2 1.0 1.941 4.691 1967 1246 A 64 CYS HB2 A 55 HIS H 1.0 1.842 3.910 1968 1247 A 85 TYR HD1 A 64 CYS HB2 1.0 1.876 4.132 1969 1247 A 85 TYR HD2 A 64 CYS HB2 1.0 1.876 4.132 1970 1248 A 73 TYR HE2 A 73 TYR HB2 1.0 0.000 6.000 1971 1248 A 73 TYR HE1 A 73 TYR HB2 1.0 0.000 6.000 1972 1249 A 85 TYR HD1 A 85 TYR HB3 1.0 1.804 3.690 1973 1249 A 85 TYR HD2 A 85 TYR HB3 1.0 1.804 3.690 1974 1250 A 59 ASN HD22 A 59 ASN HB3 1.0 1.935 4.627 1975 1251 A 60 ASN HD21 A 60 ASN HB3 1.0 1.861 4.031 1976 1252 A 63 TRP HD1 A 63 TRP HB2 1.0 0.000 6.000 1977 1253 A 63 TRP HD1 A 63 TRP HB3 1.0 1.719 3.281 1978 1254 A 21 PHE HD2 A 21 PHE HB3 1.0 1.581 2.757 1979 1254 A 21 PHE HD1 A 21 PHE HB3 1.0 1.581 2.757 1980 1255 A 73 TYR HD1 A 73 TYR HB3 1.0 1.590 2.786 1981 1255 A 73 TYR HD2 A 73 TYR HB3 1.0 1.590 2.786 1982 1256 A 21 PHE HD2 A 40 ARG HD3 1.0 1.866 4.064 1983 1256 A 21 PHE HD1 A 40 ARG HD3 1.0 1.866 4.064 1984 1257 A 45 TYR HE2 A 45 TYR HB3 1.0 1.958 4.882 1985 1257 A 45 TYR HE1 A 45 TYR HB3 1.0 1.958 4.882 1986 1258 A 36 TYR HE1 A 35 ARG HD2 1.0 1.971 5.061 1987 1258 A 36 TYR HE2 A 35 ARG HD2 1.0 1.971 5.061 1988 1259 A 85 TYR HE1 A 85 TYR HB2 1.0 0.000 6.000 1989 1259 A 85 TYR HE2 A 85 TYR HB2 1.0 0.000 6.000 1990 1260 A 36 TYR HE1 A 35 ARG HD3 1.0 1.949 4.773 1991 1260 A 36 TYR HE2 A 35 ARG HD3 1.0 1.949 4.773 1992 1261 A 85 TYR HD1 A 64 CYS HB3 1.0 1.810 3.724 1993 1261 A 85 TYR HD2 A 64 CYS HB3 1.0 1.810 3.724 1994 1262 A 64 CYS HB3 A 55 HIS H 1.0 1.930 4.566 1995 1263 A 73 TYR HB3 A 73 TYR HE2 1.0 0.000 6.000 1996 1263 A 73 TYR HB3 A 73 TYR HE1 1.0 0.000 6.000 1997 1264 A 85 TYR HD1 A 85 TYR HB2 1.0 1.774 3.538 1998 1264 A 85 TYR HD2 A 85 TYR HB2 1.0 1.774 3.538 1999 1265 A 36 TYR H A 36 TYR HB2 1.0 1.681 3.123 2000 1266 A 37 ASN HD21 A 37 ASN HB2 1.0 1.755 3.445 2001 1267 A 53 ASP HB2 A 54 SER H 1.0 1.975 5.129 2002 1268 A 55 HIS HD2 A 53 ASP HB2 1.0 1.910 4.392 2003 1269 A 81 VAL H A 81 VAL HB 1.0 1.783 3.581 2004 1270 A 36 TYR HD1 A 36 TYR HB2 1.0 1.660 3.042 2005 1270 A 36 TYR HD2 A 36 TYR HB2 1.0 1.660 3.042 2006 1271 A 28 TYR HD2 A 28 TYR HB3 1.0 1.583 2.763 2007 1271 A 28 TYR HD1 A 28 TYR HB3 1.0 1.583 2.763 2008 1272 A 21 PHE HE1 A 40 ARG HD2 1.0 1.959 4.891 2009 1272 A 21 PHE HE2 A 40 ARG HD2 1.0 1.959 4.891 2010 1273 A 59 ASN HB2 A 61 ARG HE 1.0 1.920 4.484 2011 1274 A 40 ARG HE A 40 ARG HD2 1.0 1.781 3.569 2012 1275 A 69 PHE HD1 A 69 PHE HB3 1.0 1.771 3.523 2013 1275 A 69 PHE HD2 A 69 PHE HB3 1.0 1.771 3.523 2014 1276 A 8 ILE H A 7 PRO HB2 1.0 1.781 3.573 2015 1277 A 28 TYR HE1 A 28 TYR HB3 1.0 0.000 6.000 2016 1277 A 28 TYR HE2 A 28 TYR HB3 1.0 0.000 6.000 2017 1278 A 21 PHE HD2 A 40 ARG HD2 1.0 1.685 3.143 2018 1278 A 21 PHE HD1 A 40 ARG HD2 1.0 1.685 3.143 2019 1279 A 73 TYR HD1 A 75 ASP HB3 1.0 1.963 4.949 2020 1279 A 73 TYR HD2 A 75 ASP HB3 1.0 1.963 4.949 2021 1280 A 12 ALA H A 36 TYR HB2 1.0 1.989 5.423 2022 1281 A 73 TYR HE2 A 75 ASP HB3 1.0 1.902 4.332 2023 1281 A 73 TYR HE1 A 75 ASP HB3 1.0 1.902 4.332 2024 1282 A 67 THR H A 66 PRO HD3 1.0 1.886 4.200 2025 1283 A 82 CYS H A 81 VAL HB 1.0 1.880 4.162 2026 1284 A 10 SER H A 7 PRO HB2 1.0 1.910 4.396 2027 1285 A 9 ALA H A 7 PRO HB2 1.0 1.870 4.086 2028 1286 A 78 ASN H A 78 ASN HB3 1.0 1.793 3.635 2029 1287 A 72 GLU H A 72 GLU HB3 1.0 1.823 3.799 2030 1288 A 20 VAL H A 16 VAL HB 1.0 1.938 4.648 2031 1289 A 78 ASN HD22 A 78 ASN HB3 1.0 1.761 3.475 2032 1290 A 77 PHE HD2 A 78 ASN HB3 1.0 2.000 6.064 2033 1290 A 77 PHE HD1 A 78 ASN HB3 1.0 2.000 6.064 2034 1291 A 10 SER H A 7 PRO HG3 1.0 1.970 5.042 2035 1292 A 9 ALA H A 7 PRO HG3 1.0 1.987 5.369 2036 1293 A 25 VAL HB A 29 GLY H 1.0 1.984 5.310 2037 1294 A 61 ARG H A 61 ARG HB3 1.0 1.828 3.830 2038 1295 A 72 GLU H A 72 GLU HG3 1.0 1.886 4.206 2039 1296 A 26 THR H A 25 VAL HB 1.0 1.637 2.953 2040 1297 A 61 ARG H A 61 ARG HB2 1.0 1.779 3.561 2041 1298 A 61 ARG H A 61 ARG HG3 1.0 1.824 3.804 2042 1299 A 72 GLU H A 72 GLU HG2 1.0 1.936 4.632 2043 1300 A 23 ALA H A 24 LEU HB3 1.0 1.961 4.921 2044 1301 A 25 VAL HB A 27 VAL H 1.0 1.981 5.245 2045 1302 A 10 SER H A 7 PRO HB3 1.0 1.848 3.948 2046 1303 A 9 ALA H A 7 PRO HB3 1.0 1.837 3.875 2047 1304 A 37 ASN H A 35 ARG HB3 1.0 1.967 5.009 2048 1305 A 10 SER H A 12 ALA HB% 1.0 1.967 4.999 2049 1306 A 9 ALA H A 12 ALA HB% 1.0 1.969 5.031 2050 1307 A 37 ASN H A 38 ILE HG12 1.0 1.886 4.204 2051 1308 A 32 ALA HB% A 29 GLY H 1.0 0.000 6.000 2052 1309 A 12 ALA HB% A 13 GLY H 1.0 0.000 6.000 2053 1310 A 38 ILE H A 38 ILE HB 1.0 1.598 2.814 2054 1311 A 14 LEU H A 14 LEU HG 1.0 1.649 2.999 2055 1312 A 32 ALA HB% A 32 ALA H 1.0 1.465 2.397 2056 1313 A 6 LEU H A 6 LEU HB2 1.0 1.829 3.833 2057 1314 A 14 LEU H A 14 LEU HB2 1.0 0.000 6.000 2058 1315 A 15 THR H A 14 LEU HB2 1.0 1.723 3.297 2059 1316 A 40 ARG H A 39 ARG HG2 1.0 1.949 4.767 2060 1317 A 22 ALA H A 18 ALA HB% 1.0 1.890 4.228 2061 1318 A 40 ARG H A 39 ARG HG3 1.0 1.903 4.331 2062 1319 A 22 ALA H A 22 ALA HB% 1.0 1.464 2.394 2063 1320 A 5 LEU HG A 2 ALA H 1.0 1.998 5.768 2064 1321 A 50 SER H A 49 ARG HG2 1.0 1.955 4.843 2065 1322 A 6 LEU H A 5 LEU HB2 1.0 1.938 4.652 2066 1323 A 61 ARG H A 61 ARG HG2 1.0 1.857 3.999 2067 1324 A 36 TYR H A 35 ARG HB3 1.0 1.827 3.823 2068 1325 A 72 GLU H A 72 GLU HB2 1.0 1.880 4.158 2069 1326 A 11 TYR H A 12 ALA HB% 1.0 1.837 3.883 2070 1327 A 35 ARG HB2 A 36 TYR H 1.0 1.786 3.598 2071 1328 A 32 ALA HB% A 36 TYR H 1.0 1.950 4.784 2072 1329 A 34 TYR H A 35 ARG HB2 1.0 0.000 6.000 2073 1330 A 27 VAL HB A 27 VAL H 1.0 0.000 6.000 2074 1331 A 49 ARG HE A 49 ARG HG3 1.0 1.949 4.771 2075 1332 A 49 ARG HE A 49 ARG HG2 1.0 1.947 4.745 2076 1333 A 49 ARG HE A 49 ARG HB2 1.0 1.969 5.025 2077 1334 A 49 ARG HE A 49 ARG HB3 1.0 1.929 4.557 2078 1335 A 71 HIS HD2 A 72 GLU HG3 1.0 1.938 4.650 2079 1336 A 89 ARG HE A 61 ARG HB3 1.0 1.916 4.442 2080 1337 A 61 ARG HE A 61 ARG HB3 1.0 1.880 4.160 2081 1338 A 69 PHE HD1 A 72 GLU HG3 1.0 1.977 5.167 2082 1338 A 69 PHE HD2 A 72 GLU HG3 1.0 1.977 5.167 2083 1339 A 78 ASN HD22 A 75 ASP HB2 1.0 1.986 5.346 2084 1340 A 20 VAL H A 20 VAL HB 1.0 0.000 6.000 2085 1341 A 89 ARG HE A 61 ARG HB2 1.0 1.963 4.959 2086 1342 A 61 ARG HE A 61 ARG HB2 1.0 1.838 3.890 2087 1343 A 28 TYR HD2 A 24 LEU HG 1.0 1.864 4.048 2088 1343 A 28 TYR HD1 A 24 LEU HG 1.0 1.864 4.048 2089 1344 A 21 PHE HE1 A 25 VAL HB 1.0 1.971 5.053 2090 1344 A 21 PHE HE2 A 25 VAL HB 1.0 1.971 5.053 2091 1345 A 61 ARG HE A 61 ARG HG3 1.0 1.808 3.716 2092 1346 A 69 PHE HD1 A 72 GLU HG2 1.0 1.959 4.899 2093 1346 A 69 PHE HD2 A 72 GLU HG2 1.0 1.959 4.899 2094 1347 A 20 VAL H A 19 PRO HB2 1.0 1.814 3.748 2095 1348 A 36 TYR HD1 A 35 ARG HB3 1.0 1.775 3.543 2096 1348 A 36 TYR HD2 A 35 ARG HB3 1.0 1.775 3.543 2097 1349 A 61 ARG HE A 61 ARG HG2 1.0 1.877 4.135 2098 1350 A 89 ARG HE A 89 ARG HB3 1.0 1.801 3.673 2099 1351 A 28 TYR HD1 A 32 ALA HB% 1.0 0.000 6.000 2100 1351 A 28 TYR HD2 A 32 ALA HB% 1.0 0.000 6.000 2101 1352 A 36 TYR HD2 A 32 ALA HB% 1.0 1.747 3.407 2102 1352 A 36 TYR HD1 A 32 ALA HB% 1.0 1.747 3.407 2103 1353 A 36 TYR HD2 A 12 ALA HB% 1.0 1.560 2.686 2104 1353 A 36 TYR HD1 A 12 ALA HB% 1.0 1.560 2.686 2105 1354 A 31 TYR HD1 A 32 ALA HB% 1.0 1.885 4.197 2106 1354 A 31 TYR HD2 A 32 ALA HB% 1.0 1.885 4.197 2107 1355 A 41 ARG HB3 A 41 ARG HE 1.0 1.773 3.531 2108 1356 A 40 ARG HE A 18 ALA HB% 1.0 1.840 3.892 2109 1357 A 8 ILE H A 7 PRO HG2 1.0 0.000 6.000 2110 1358 A 11 TYR HD2 A 14 LEU HB3 1.0 1.904 4.338 2111 1358 A 11 TYR HD1 A 14 LEU HB3 1.0 1.904 4.338 2112 1359 A 11 TYR HD2 A 16 VAL HB 1.0 1.918 4.466 2113 1359 A 11 TYR HD1 A 16 VAL HB 1.0 1.918 4.466 2114 1360 A 21 PHE HD2 A 25 VAL HB 1.0 1.952 4.814 2115 1360 A 21 PHE HD1 A 25 VAL HB 1.0 1.952 4.814 2116 1361 A 11 TYR HE2 A 24 LEU HG 1.0 1.975 5.131 2117 1361 A 11 TYR HE1 A 24 LEU HG 1.0 1.975 5.131 2118 1362 A 28 TYR HE1 A 24 LEU HG 1.0 1.955 4.847 2119 1362 A 28 TYR HE2 A 24 LEU HG 1.0 1.955 4.847 2120 1363 A 11 TYR HE2 A 20 VAL HB 1.0 1.972 5.084 2121 1363 A 11 TYR HE1 A 20 VAL HB 1.0 1.972 5.084 2122 1364 A 85 TYR HE1 A 66 PRO HB3 1.0 1.830 3.836 2123 1364 A 85 TYR HE2 A 66 PRO HB3 1.0 1.830 3.836 2124 1365 A 66 PRO HG2 A 85 TYR HE1 1.0 1.957 4.865 2125 1365 A 66 PRO HG2 A 85 TYR HE2 1.0 1.957 4.865 2126 1366 A 85 TYR HE1 A 66 PRO HB2 1.0 1.917 4.455 2127 1366 A 85 TYR HE2 A 66 PRO HB2 1.0 1.917 4.455 2128 1367 A 85 TYR HD1 A 66 PRO HG2 1.0 1.994 5.560 2129 1367 A 85 TYR HD2 A 66 PRO HG2 1.0 1.994 5.560 2130 1368 A 85 TYR HD1 A 66 PRO HB2 1.0 0.000 6.000 2131 1368 A 85 TYR HD2 A 66 PRO HB2 1.0 0.000 6.000 2132 1369 A 85 TYR HD1 A 66 PRO HB3 1.0 1.886 4.208 2133 1369 A 85 TYR HD2 A 66 PRO HB3 1.0 1.886 4.208 2134 1370 A 75 ASP HB2 A 73 TYR HE2 1.0 1.832 3.846 2135 1370 A 75 ASP HB2 A 73 TYR HE1 1.0 1.832 3.846 2136 1371 A 11 TYR HD2 A 5 LEU HB3 1.0 0.000 6.000 2137 1371 A 11 TYR HD1 A 5 LEU HB3 1.0 0.000 6.000 2138 1372 A 11 TYR HE2 A 5 LEU HB3 1.0 1.794 3.640 2139 1372 A 11 TYR HE1 A 5 LEU HB3 1.0 1.794 3.640 2140 1373 A 28 TYR HE1 A 5 LEU HB3 1.0 1.883 4.183 2141 1373 A 28 TYR HE2 A 5 LEU HB3 1.0 1.883 4.183 2142 1374 A 33 LEU H A 33 LEU HB2 1.0 1.615 2.875 2143 1375 A 39 ARG HE A 39 ARG HB3 1.0 1.856 3.998 2144 1376 A 34 TYR HD2 A 35 ARG HB3 1.0 1.907 4.367 2145 1376 A 34 TYR HD1 A 35 ARG HB3 1.0 1.907 4.367 2146 1377 A 45 TYR HD2 A 47 ARG HB2 1.0 1.998 5.764 2147 1377 A 45 TYR HD1 A 47 ARG HB2 1.0 1.998 5.764 2148 1378 A 39 ARG HE A 39 ARG HG2 1.0 1.843 3.917 2149 1379 A 33 LEU H A 32 ALA HB% 1.0 1.540 2.624 2150 1380 A 39 ARG HE A 39 ARG HG3 1.0 1.836 3.872 2151 1381 A 20 VAL H A 23 ALA HB% 1.0 1.913 4.423 2152 1382 A 12 ALA H A 12 ALA HB% 1.0 1.461 2.385 2153 1383 A 21 PHE HD1 A 22 ALA HB% 1.0 1.772 3.526 2154 1383 A 21 PHE HD2 A 22 ALA HB% 1.0 1.772 3.526 2155 1384 A 27 VAL HB A 3 GLN HE22 1.0 1.742 3.384 2156 1385 A 11 TYR HE2 A 6 LEU HB2 1.0 1.798 3.656 2157 1385 A 11 TYR HE1 A 6 LEU HB2 1.0 1.798 3.656 2158 1386 A 11 TYR HE2 A 6 LEU HB3 1.0 1.791 3.623 2159 1386 A 11 TYR HE1 A 6 LEU HB3 1.0 1.791 3.623 2160 1387 A 73 TYR HD1 A 92 ARG HB2 1.0 1.902 4.324 2161 1387 A 73 TYR HD2 A 92 ARG HB2 1.0 1.902 4.324 2162 1388 A 36 TYR HE1 A 35 ARG HB3 1.0 1.963 4.961 2163 1388 A 36 TYR HE2 A 35 ARG HB3 1.0 1.963 4.961 2164 1389 A 85 TYR HE1 A 66 PRO HG3 1.0 1.841 3.907 2165 1389 A 85 TYR HE2 A 66 PRO HG3 1.0 1.841 3.907 2166 1390 A 85 TYR HD1 A 66 PRO HG3 1.0 1.916 4.448 2167 1390 A 85 TYR HD2 A 66 PRO HG3 1.0 1.916 4.448 2168 1391 A 73 TYR HE2 A 72 GLU HB2 1.0 0.000 6.000 2169 1391 A 73 TYR HE1 A 72 GLU HB2 1.0 0.000 6.000 2170 1392 A 73 TYR HE2 A 89 ARG HB3 1.0 1.854 3.986 2171 1392 A 73 TYR HE1 A 89 ARG HB3 1.0 1.854 3.986 2172 1393 A 67 THR H A 66 PRO HB3 1.0 1.925 4.527 2173 1394 A 67 THR H A 66 PRO HG2 1.0 1.804 3.692 2174 1395 A 67 THR H A 66 PRO HB2 1.0 1.826 3.812 2175 1396 A 67 THR H A 66 PRO HG3 1.0 1.920 4.486 2176 1397 A 67 THR H A 65 ARG HB3 1.0 1.857 4.003 2177 1398 A 36 TYR HE2 A 32 ALA HB% 1.0 1.807 3.705 2178 1398 A 36 TYR HE1 A 32 ALA HB% 1.0 1.807 3.705 2179 1399 A 85 TYR HE1 A 53 ASP HB3 1.0 1.862 4.036 2180 1399 A 85 TYR HE2 A 53 ASP HB3 1.0 1.862 4.036 2181 1400 A 85 TYR HD1 A 53 ASP HB3 1.0 1.857 4.001 2182 1400 A 85 TYR HD2 A 53 ASP HB3 1.0 1.857 4.001 2183 1401 A 85 TYR HD1 A 65 ARG HB2 1.0 1.986 5.340 2184 1401 A 85 TYR HD2 A 65 ARG HB2 1.0 1.986 5.340 2185 1402 A 36 TYR HE2 A 9 ALA HB% 1.0 1.688 3.154 2186 1402 A 36 TYR HE1 A 9 ALA HB% 1.0 1.688 3.154 2187 1403 A 86 ARG HE A 86 ARG HB3 1.0 1.815 3.749 2188 1404 A 34 TYR HD2 A 35 ARG HG3 1.0 1.930 4.570 2189 1404 A 34 TYR HD1 A 35 ARG HG3 1.0 1.930 4.570 2190 1405 A 58 ALA HB% A 61 ARG HE 1.0 1.876 4.126 2191 1406 A 78 ASN HD22 A 58 ALA HB% 1.0 1.813 3.739 2192 1407 A 31 TYR HD1 A 35 ARG HG3 1.0 1.990 5.454 2193 1407 A 31 TYR HD2 A 35 ARG HG3 1.0 1.990 5.454 2194 1408 A 35 ARG HG3 A 35 ARG HE 1.0 1.897 4.289 2195 1409 A 8 ILE H A 9 ALA HB% 1.0 1.958 4.876 2196 1410 A 12 ALA H A 9 ALA HB% 1.0 1.877 4.137 2197 1411 A 11 TYR HE2 A 6 LEU HG 1.0 0.000 6.000 2198 1411 A 11 TYR HE1 A 6 LEU HG 1.0 0.000 6.000 2199 1412 A 36 TYR HE1 A 35 ARG HG2 1.0 1.991 5.467 2200 1412 A 36 TYR HE2 A 35 ARG HG2 1.0 1.991 5.467 2201 1413 A 28 TYR HE1 A 24 LEU HB2 1.0 0.000 6.000 2202 1413 A 28 TYR HE2 A 24 LEU HB2 1.0 0.000 6.000 2203 1414 A 21 PHE HD2 A 40 ARG HG2 1.0 1.933 4.603 2204 1414 A 21 PHE HD1 A 40 ARG HG2 1.0 1.933 4.603 2205 1415 A 21 PHE HD2 A 40 ARG HB2 1.0 1.876 4.128 2206 1415 A 21 PHE HD1 A 40 ARG HB2 1.0 1.876 4.128 2207 1416 A 34 TYR HD2 A 35 ARG HG2 1.0 1.890 4.234 2208 1416 A 34 TYR HD1 A 35 ARG HG2 1.0 1.890 4.234 2209 1417 A 35 ARG HG2 A 35 ARG HE 1.0 1.865 4.057 2210 1418 A 40 ARG HE A 40 ARG HG2 1.0 1.836 3.872 2211 1419 A 28 TYR HD2 A 24 LEU HB2 1.0 1.786 3.594 2212 1419 A 28 TYR HD1 A 24 LEU HB2 1.0 1.786 3.594 2213 1420 A 21 PHE HE1 A 40 ARG HB2 1.0 1.923 4.507 2214 1420 A 21 PHE HE2 A 40 ARG HB2 1.0 1.923 4.507 2215 1421 A 36 TYR HD1 A 9 ALA HB% 1.0 1.827 3.823 2216 1421 A 36 TYR HD2 A 9 ALA HB% 1.0 1.827 3.823 2217 1422 A 26 THR HG2% A 27 VAL H 1.0 1.824 3.804 2218 1423 A 77 PHE HD1 A 81 VAL HG1% 1.0 1.977 5.181 2219 1423 A 77 PHE HD2 A 81 VAL HG1% 1.0 1.977 5.181 2220 1424 A 81 VAL H A 81 VAL HG1% 1.0 1.657 3.031 2221 1425 A 77 PHE HD2 A 81 VAL HG2% 1.0 1.996 5.644 2222 1425 A 77 PHE HD1 A 81 VAL HG2% 1.0 1.996 5.644 2223 1426 A 81 VAL H A 81 VAL HG2% 1.0 1.684 3.138 2224 1427 A 81 VAL HG1% A 58 ALA H 1.0 1.871 4.095 2225 1428 A 18 ALA H A 20 VAL HG1% 1.0 1.984 5.296 2226 1429 A 81 VAL HG2% A 58 ALA H 1.0 1.986 5.332 2227 1430 A 16 VAL H A 15 THR HG2% 1.0 1.747 3.405 2228 1431 A 21 PHE H A 20 VAL HG1% 1.0 1.838 3.880 2229 1432 A 21 PHE H A 16 VAL HG2% 1.0 1.673 3.093 2230 1433 A 21 PHE H A 38 ILE HG2% 1.0 1.999 5.837 2231 1434 A 87 CYS H A 86 ARG HG3 1.0 1.989 5.425 2232 1435 A 87 CYS H A 86 ARG HB2 1.0 1.740 3.376 2233 1436 A 86 ARG H A 86 ARG HG2 1.0 1.717 3.273 2234 1437 A 52 HIS H A 53 ASP HB3 1.0 1.998 5.736 2235 1438 A 2 ALA H A 2 ALA HB% 1.0 1.647 2.991 2236 1439 A 3 GLN H A 2 ALA HB% 1.0 1.836 3.872 2237 1440 A 59 ASN H A 58 ALA HB% 1.0 1.872 4.110 2238 1441 A 65 ARG HE A 65 ARG HB2 1.0 1.911 4.401 2239 1442 A 41 ARG H A 40 ARG HG2 1.0 1.858 4.010 2240 1443 A 69 PHE H A 65 ARG HB2 1.0 0.000 6.000 2241 1444 A 28 TYR H A 26 THR HG2% 1.0 1.984 5.300 2242 1445 A 68 CYS H A 67 THR HG2% 1.0 1.712 3.252 2243 1446 A 28 TYR H A 24 LEU HB2 1.0 1.999 5.911 2244 1447 A 41 ARG H A 15 THR HG2% 1.0 1.747 3.405 2245 1448 A 17 SER H A 20 VAL HG1% 1.0 1.877 4.139 2246 1449 A 30 ALA H A 25 VAL HG1% 1.0 1.670 3.080 2247 1450 A 41 ARG H A 40 ARG HG3 1.0 1.865 4.055 2248 1451 A 80 ASP H A 81 VAL HG1% 1.0 1.935 4.627 2249 1452 A 80 ASP H A 81 VAL HG2% 1.0 1.923 4.511 2250 1453 A 42 GLU H A 15 THR HG2% 1.0 0.000 6.000 2251 1454 A 25 VAL H A 24 LEU HB2 1.0 1.799 3.661 2252 1455 A 24 LEU H A 24 LEU HB2 1.0 1.739 3.373 2253 1456 A 49 ARG H A 48 ILE HG13 1.0 1.996 5.660 2254 1457 A 60 ASN H A 58 ALA HB% 1.0 1.989 5.423 2255 1458 A 39 ARG H A 38 ILE HG13 1.0 1.927 4.551 2256 1459 A 39 ARG H A 15 THR HG2% 1.0 1.907 4.365 2257 1460 A 50 SER H A 48 ILE HG2% 1.0 1.928 4.552 2258 1461 A 5 LEU HD1% A 2 ALA H 1.0 1.953 4.821 2259 1462 A 39 ARG H A 38 ILE HG2% 1.0 1.692 3.172 2260 1463 A 25 VAL H A 25 VAL HG1% 1.0 0.000 6.000 2261 1464 A 31 TYR H A 25 VAL HG1% 1.0 1.945 4.725 2262 1465 A 24 LEU H A 24 LEU HD1% 1.0 1.771 3.523 2263 1466 A 25 VAL H A 25 VAL HG2% 1.0 1.553 2.665 2264 1467 A 30 ALA H A 25 VAL HG2% 1.0 1.812 3.734 2265 1468 A 28 TYR H A 24 LEU HD1% 1.0 1.964 4.970 2266 1469 A 17 SER H A 20 VAL HG2% 1.0 1.814 3.746 2267 1470 A 21 PHE H A 20 VAL HG2% 1.0 1.775 3.539 2268 1471 A 89 ARG H A 89 ARG HB2 1.0 1.838 3.888 2269 1472 A 16 VAL H A 20 VAL HG2% 1.0 1.990 5.462 2270 1473 A 18 ALA H A 20 VAL HG2% 1.0 1.997 6.343 2271 1474 A 73 TYR H A 89 ARG HB2 1.0 1.992 5.498 2272 1475 A 75 ASP H A 89 ARG HB2 1.0 2.000 5.994 2273 1476 A 74 THR HG2% A 76 TRP HE1 1.0 1.869 4.089 2274 1477 A 18 ALA H A 40 ARG HB3 1.0 1.997 6.263 2275 1478 A 21 PHE H A 33 LEU HD2% 1.0 1.999 5.797 2276 1479 A 21 PHE H A 24 LEU HD2% 1.0 1.940 4.680 2277 1480 A 16 VAL H A 40 ARG HB3 1.0 2.000 6.072 2278 1481 A 16 VAL H A 24 LEU HD2% 1.0 1.999 5.891 2279 1482 A 41 ARG H A 40 ARG HB3 1.0 1.847 3.941 2280 1483 A 28 TYR H A 8 ILE HG2% 1.0 1.923 4.509 2281 1484 A 17 SER H A 24 LEU HD2% 1.0 2.000 5.890 2282 1485 A 25 VAL H A 24 LEU HD2% 1.0 1.898 4.290 2283 1486 A 24 LEU H A 24 LEU HD2% 1.0 1.760 3.470 2284 1487 A 25 VAL H A 33 LEU HD2% 1.0 1.845 3.925 2285 1488 A 24 LEU H A 33 LEU HD2% 1.0 1.930 4.574 2286 1489 A 28 TYR H A 33 LEU HD1% 1.0 1.904 4.344 2287 1490 A 25 VAL H A 33 LEU HD1% 1.0 1.806 3.700 2288 1491 A 24 LEU H A 33 LEU HD1% 1.0 1.930 4.578 2289 1492 A 28 TYR H A 27 VAL HG2% 1.0 1.786 3.598 2290 1493 A 75 ASP H A 74 THR HG2% 1.0 1.774 3.540 2291 1494 A 87 CYS H A 74 THR HG2% 1.0 1.838 3.890 2292 1495 A 74 THR HG2% A 74 THR H 1.0 1.906 4.358 2293 1496 A 89 ARG H A 74 THR HG2% 1.0 2.000 6.082 2294 1497 A 68 CYS H A 74 THR HG2% 1.0 1.998 6.228 2295 1498 A 77 PHE H A 74 THR HG2% 1.0 1.999 5.781 2296 1499 A 4 ALA H A 4 ALA HB% 1.0 0.000 6.000 2297 1500 A 6 LEU H A 6 LEU HG 1.0 0.000 6.000 2298 1501 A 5 LEU H A 4 ALA HB% 1.0 0.000 6.000 2299 1502 A 62 GLY H A 58 ALA HB% 1.0 1.792 3.630 2300 1503 A 48 ILE H A 48 ILE HG13 1.0 1.785 3.593 2301 1504 A 40 ARG H A 40 ARG HB2 1.0 1.731 3.333 2302 1505 A 14 LEU H A 38 ILE HG13 1.0 1.900 4.304 2303 1506 A 38 ILE H A 38 ILE HG13 1.0 1.840 3.898 2304 1507 A 13 GLY H A 38 ILE HG13 1.0 1.891 4.241 2305 1508 A 35 ARG H A 35 ARG HG2 1.0 0.000 6.000 2306 1509 A 22 ALA H A 20 VAL HG1% 1.0 1.993 5.539 2307 1510 A 40 ARG H A 40 ARG HG3 1.0 0.000 6.000 2308 1511 A 5 LEU H A 5 LEU HD2% 1.0 1.619 2.891 2309 1512 A 4 ALA H A 5 LEU HD2% 1.0 1.898 4.294 2310 1513 A 14 LEU H A 14 LEU HD2% 1.0 0.000 6.000 2311 1514 A 39 ARG H A 38 ILE HD1% 1.0 0.000 6.000 2312 1515 A 35 ARG H A 38 ILE HD1% 1.0 1.999 5.825 2313 1516 A 6 LEU H A 6 LEU HD2% 1.0 1.799 3.667 2314 1517 A 14 LEU H A 38 ILE HD1% 1.0 1.963 4.951 2315 1518 A 38 ILE H A 38 ILE HD1% 1.0 1.806 3.702 2316 1519 A 13 GLY H A 38 ILE HD1% 1.0 0.000 6.000 2317 1520 A 25 VAL HG2% A 32 ALA H 1.0 2.000 5.998 2318 1521 A 25 VAL HG2% A 29 GLY H 1.0 1.893 4.251 2319 1522 A 10 SER H A 38 ILE HD1% 1.0 1.984 5.298 2320 1523 A 37 ASN H A 38 ILE HD1% 1.0 1.971 5.065 2321 1524 A 39 ARG H A 24 LEU HD2% 1.0 2.000 6.046 2322 1525 A 39 ARG H A 33 LEU HD2% 1.0 1.993 6.485 2323 1526 A 22 ALA H A 33 LEU HD2% 1.0 1.995 5.619 2324 1527 A 35 ARG H A 33 LEU HD1% 1.0 1.993 5.551 2325 1528 A 38 ILE H A 33 LEU HD1% 1.0 1.995 5.589 2326 1529 A 33 LEU HD1% A 32 ALA H 1.0 1.903 4.341 2327 1530 A 33 LEU HD2% A 32 ALA H 1.0 0.000 6.000 2328 1531 A 38 ILE H A 33 LEU HD2% 1.0 0.000 6.000 2329 1532 A 38 ILE H A 8 ILE HG2% 1.0 1.985 5.325 2330 1533 A 8 ILE HG2% A 32 ALA H 1.0 0.000 6.000 2331 1534 A 35 ARG H A 8 ILE HG2% 1.0 1.982 5.262 2332 1535 A 22 ALA H A 24 LEU HD2% 1.0 1.998 5.742 2333 1536 A 40 ARG H A 40 ARG HB3 1.0 1.742 3.384 2334 1537 A 25 VAL H A 27 VAL HG2% 1.0 1.994 6.458 2335 1538 A 24 LEU H A 27 VAL HG2% 1.0 1.986 6.688 2336 1539 A 5 LEU H A 27 VAL HG2% 1.0 1.996 6.364 2337 1540 A 27 VAL HG2% A 29 GLY H 1.0 1.975 5.135 2338 1541 A 26 THR H A 27 VAL HG2% 1.0 0.000 6.000 2339 1542 A 74 THR HG2% A 79 ASN HD21 1.0 1.870 4.092 2340 1543 A 10 SER H A 8 ILE HD1% 1.0 1.871 4.095 2341 1544 A 9 ALA H A 8 ILE HD1% 1.0 1.515 2.545 2342 1545 A 33 LEU HD1% A 29 GLY H 1.0 1.917 4.453 2343 1546 A 33 LEU HD2% A 29 GLY H 1.0 1.982 5.268 2344 1547 A 25 VAL HG1% A 29 GLY H 1.0 1.825 3.809 2345 1548 A 10 SER H A 14 LEU HD2% 1.0 2.000 5.992 2346 1549 A 82 CYS H A 81 VAL HG1% 1.0 1.825 3.809 2347 1550 A 81 VAL HG1% A 83 GLY H 1.0 1.998 5.760 2348 1551 A 82 CYS H A 81 VAL HG2% 1.0 1.897 4.283 2349 1552 A 81 VAL HG2% A 83 GLY H 1.0 1.997 5.709 2350 1553 A 10 SER H A 9 ALA HB% 1.0 1.705 3.221 2351 1554 A 9 ALA H A 9 ALA HB% 1.0 1.468 2.408 2352 1555 A 37 ASN H A 38 ILE HG13 1.0 0.000 6.000 2353 1556 A 85 TYR H A 53 ASP HB3 1.0 1.954 4.834 2354 1557 A 58 ALA HB% A 57 CYS H 1.0 1.972 5.068 2355 1558 A 61 ARG H A 58 ALA HB% 1.0 1.812 3.734 2356 1559 A 26 THR H A 26 THR HG2% 1.0 0.000 6.000 2357 1560 A 11 TYR H A 14 LEU HD2% 1.0 1.934 4.612 2358 1561 A 26 THR H A 25 VAL HG1% 1.0 0.000 6.000 2359 1562 A 11 TYR H A 38 ILE HG2% 1.0 1.973 5.103 2360 1563 A 11 TYR H A 38 ILE HD1% 1.0 1.859 4.013 2361 1564 A 26 THR H A 25 VAL HG2% 1.0 0.000 6.000 2362 1565 A 26 THR H A 33 LEU HD1% 1.0 1.980 5.222 2363 1566 A 26 THR H A 33 LEU HD2% 1.0 1.996 5.672 2364 1567 A 11 TYR H A 24 LEU HD2% 1.0 1.996 5.622 2365 1568 A 74 THR HG2% A 76 TRP HE3 1.0 1.888 4.218 2366 1569 A 74 THR HG2% A 76 TRP HZ2 1.0 1.878 4.144 2367 1570 A 76 TRP H A 74 THR HG2% 1.0 1.812 3.738 2368 1571 A 76 TRP HD1 A 74 THR HG2% 1.0 1.806 3.702 2369 1572 A 27 VAL HG2% A 27 VAL H 1.0 1.770 3.520 2370 1573 A 8 ILE HG2% A 36 TYR H 1.0 1.951 4.793 2371 1574 A 23 ALA H A 24 LEU HD2% 1.0 1.971 5.067 2372 1575 A 23 ALA H A 33 LEU HD1% 1.0 1.991 6.551 2373 1576 A 23 ALA H A 33 LEU HD2% 1.0 1.995 6.419 2374 1577 A 34 TYR H A 33 LEU HD1% 1.0 1.919 4.473 2375 1578 A 34 TYR H A 33 LEU HD2% 1.0 1.954 4.830 2376 1579 A 8 ILE HG2% A 27 VAL H 1.0 1.998 6.204 2377 1580 A 34 TYR H A 8 ILE HG2% 1.0 1.997 5.737 2378 1581 A 23 ALA H A 24 LEU HD1% 1.0 1.997 5.721 2379 1582 A 36 TYR H A 38 ILE HD1% 1.0 1.881 4.171 2380 1583 A 34 TYR H A 38 ILE HD1% 1.0 1.994 5.550 2381 1584 A 24 LEU HD1% A 27 VAL H 1.0 1.999 5.935 2382 1585 A 34 TYR H A 25 VAL HG2% 1.0 2.000 6.038 2383 1586 A 25 VAL HG2% A 27 VAL H 1.0 1.986 5.338 2384 1587 A 23 ALA H A 5 LEU HD2% 1.0 1.859 4.017 2385 1588 A 38 ILE HG2% A 36 TYR H 1.0 0.000 6.000 2386 1589 A 34 TYR H A 38 ILE HG2% 1.0 0.000 6.000 2387 1590 A 27 VAL HG1% A 27 VAL H 1.0 1.588 2.780 2388 1591 A 49 ARG HE A 14 LEU HD1% 1.0 1.975 5.133 2389 1592 A 35 ARG HG2 A 36 TYR H 1.0 1.971 5.067 2390 1593 A 78 ASN H A 58 ALA HB% 1.0 1.997 5.709 2391 1594 A 36 TYR HD2 A 38 ILE HD1% 1.0 1.778 3.560 2392 1594 A 36 TYR HD1 A 38 ILE HD1% 1.0 1.778 3.560 2393 1595 A 28 TYR HD1 A 24 LEU HD1% 1.0 1.583 2.765 2394 1595 A 28 TYR HD2 A 24 LEU HD1% 1.0 1.583 2.765 2395 1596 A 21 PHE HE2 A 25 VAL HG2% 1.0 1.633 2.939 2396 1596 A 21 PHE HE1 A 25 VAL HG2% 1.0 1.633 2.939 2397 1597 A 21 PHE HE1 A 16 VAL HG2% 1.0 1.854 3.986 2398 1597 A 21 PHE HE2 A 16 VAL HG2% 1.0 1.854 3.986 2399 1598 A 21 PHE HZ A 38 ILE HG2% 1.0 0.000 6.000 2400 1599 A 21 PHE HE2 A 38 ILE HG2% 1.0 1.712 3.254 2401 1599 A 21 PHE HE1 A 38 ILE HG2% 1.0 1.712 3.254 2402 1600 A 40 ARG HE A 40 ARG HG3 1.0 1.826 3.814 2403 1601 A 41 ARG HE A 15 THR HG2% 1.0 1.914 4.420 2404 1602 A 39 ARG HE A 15 THR HG2% 1.0 1.939 4.661 2405 1603 A 20 VAL H A 20 VAL HG1% 1.0 1.618 2.888 2406 1604 A 11 TYR HD1 A 38 ILE HG2% 1.0 1.794 3.638 2407 1604 A 11 TYR HD2 A 38 ILE HG2% 1.0 1.794 3.638 2408 1605 A 12 ALA H A 14 LEU HD2% 1.0 1.947 4.747 2409 1606 A 21 PHE HD1 A 16 VAL HG2% 1.0 1.517 2.551 2410 1606 A 21 PHE HD2 A 16 VAL HG2% 1.0 1.517 2.551 2411 1607 A 28 TYR HE2 A 5 LEU HD2% 1.0 1.703 3.213 2412 1607 A 28 TYR HE1 A 5 LEU HD2% 1.0 1.703 3.213 2413 1608 A 21 PHE HD1 A 38 ILE HG2% 1.0 1.619 2.891 2414 1608 A 21 PHE HD2 A 38 ILE HG2% 1.0 1.619 2.891 2415 1609 A 20 VAL H A 20 VAL HG2% 1.0 1.770 3.518 2416 1610 A 89 ARG HE A 89 ARG HB2 1.0 1.881 4.167 2417 1611 A 28 TYR HD1 A 33 LEU HD1% 1.0 1.762 3.480 2418 1611 A 28 TYR HD2 A 33 LEU HD1% 1.0 1.762 3.480 2419 1612 A 73 TYR HD1 A 89 ARG HB2 1.0 1.932 4.600 2420 1612 A 73 TYR HD2 A 89 ARG HB2 1.0 1.932 4.600 2421 1613 A 33 LEU H A 33 LEU HD1% 1.0 1.687 3.149 2422 1614 A 11 TYR HE2 A 33 LEU HD1% 1.0 0.000 6.000 2423 1614 A 11 TYR HE1 A 33 LEU HD1% 1.0 0.000 6.000 2424 1615 A 28 TYR HE2 A 33 LEU HD1% 1.0 1.991 5.471 2425 1615 A 28 TYR HE1 A 33 LEU HD1% 1.0 1.991 5.471 2426 1616 A 33 LEU HD1% A 27 VAL H 1.0 1.999 6.189 2427 1617 A 21 PHE HZ A 33 LEU HD2% 1.0 1.775 3.543 2428 1618 A 21 PHE HE1 A 33 LEU HD2% 1.0 1.719 3.285 2429 1618 A 21 PHE HE2 A 33 LEU HD2% 1.0 1.719 3.285 2430 1619 A 28 TYR HD1 A 24 LEU HD2% 1.0 1.904 4.346 2431 1619 A 28 TYR HD2 A 24 LEU HD2% 1.0 1.904 4.346 2432 1620 A 28 TYR HD1 A 27 VAL HG2% 1.0 1.705 3.223 2433 1620 A 28 TYR HD2 A 27 VAL HG2% 1.0 1.705 3.223 2434 1621 A 76 TRP HH2 A 74 THR HG2% 1.0 1.934 4.610 2435 1622 A 74 THR HG2% A 76 TRP HZ3 1.0 1.910 4.396 2436 1623 A 86 ARG HE A 74 THR HG2% 1.0 1.921 4.491 2437 1624 A 40 ARG HE A 40 ARG HB3 1.0 1.890 4.228 2438 1625 A 33 LEU H A 33 LEU HD2% 1.0 1.823 3.795 2439 1626 A 8 ILE HD1% A 8 ILE H 1.0 1.435 2.313 2440 1627 A 11 TYR HD2 A 8 ILE HG2% 1.0 1.688 3.154 2441 1627 A 11 TYR HD1 A 8 ILE HG2% 1.0 1.688 3.154 2442 1628 A 11 TYR HD1 A 24 LEU HD2% 1.0 1.738 3.370 2443 1628 A 11 TYR HD2 A 24 LEU HD2% 1.0 1.738 3.370 2444 1629 A 21 PHE HD2 A 33 LEU HD2% 1.0 1.752 3.430 2445 1629 A 21 PHE HD1 A 33 LEU HD2% 1.0 1.752 3.430 2446 1630 A 11 TYR HE2 A 8 ILE HG2% 1.0 1.736 3.356 2447 1630 A 11 TYR HE1 A 8 ILE HG2% 1.0 1.736 3.356 2448 1631 A 11 TYR HE1 A 24 LEU HD2% 1.0 1.728 3.320 2449 1631 A 11 TYR HE2 A 24 LEU HD2% 1.0 1.728 3.320 2450 1632 A 28 TYR HE1 A 24 LEU HD2% 1.0 1.932 4.598 2451 1632 A 28 TYR HE2 A 24 LEU HD2% 1.0 1.932 4.598 2452 1633 A 36 TYR HE1 A 8 ILE HD1% 1.0 1.601 2.827 2453 1633 A 36 TYR HE2 A 8 ILE HD1% 1.0 1.601 2.827 2454 1634 A 28 TYR HE2 A 33 LEU HD2% 1.0 1.999 5.855 2455 1634 A 28 TYR HE1 A 33 LEU HD2% 1.0 1.999 5.855 2456 1635 A 73 TYR HE2 A 89 ARG HB2 1.0 1.836 3.870 2457 1635 A 73 TYR HE1 A 89 ARG HB2 1.0 1.836 3.870 2458 1636 A 12 ALA H A 38 ILE HD1% 1.0 1.891 4.243 2459 1637 A 11 TYR HD1 A 38 ILE HD1% 1.0 1.637 2.957 2460 1637 A 11 TYR HD2 A 38 ILE HD1% 1.0 1.637 2.957 2461 1638 A 11 TYR HD1 A 20 VAL HG2% 1.0 1.721 3.295 2462 1638 A 11 TYR HD2 A 20 VAL HG2% 1.0 1.721 3.295 2463 1639 A 11 TYR HE1 A 24 LEU HD1% 1.0 1.656 3.026 2464 1639 A 11 TYR HE2 A 24 LEU HD1% 1.0 1.656 3.026 2465 1640 A 28 TYR HE2 A 24 LEU HD1% 1.0 1.497 2.493 2466 1640 A 28 TYR HE1 A 24 LEU HD1% 1.0 1.497 2.493 2467 1641 A 36 TYR HE2 A 38 ILE HD1% 1.0 0.000 6.000 2468 1641 A 36 TYR HE1 A 38 ILE HD1% 1.0 0.000 6.000 2469 1642 A 67 THR H A 65 ARG HB2 1.0 1.884 4.194 2470 1643 A 67 THR H A 67 THR HG2% 1.0 1.878 4.150 2471 1644 A 73 TYR HD2 A 74 THR HG2% 1.0 1.975 5.137 2472 1644 A 73 TYR HD1 A 74 THR HG2% 1.0 1.975 5.137 2473 1645 A 73 TYR HE1 A 74 THR HG2% 1.0 2.000 6.026 2474 1645 A 73 TYR HE2 A 74 THR HG2% 1.0 2.000 6.026 2475 1646 A 28 TYR HE1 A 27 VAL HG2% 1.0 1.667 3.065 2476 1646 A 28 TYR HE2 A 27 VAL HG2% 1.0 1.667 3.065 2477 1647 A 20 VAL H A 24 LEU HD2% 1.0 1.999 5.819 2478 1648 A 36 TYR H A 33 LEU HD1% 1.0 1.993 6.479 2479 1649 A 33 LEU HD2% A 36 TYR H 1.0 1.995 6.399 2480 1650 A 36 TYR H A 38 ILE HG13 1.0 2.000 5.914 2481 1651 A 76 TRP H A 73 TYR HE2 1.0 1.963 4.939 2482 1651 A 76 TRP H A 73 TYR HE1 1.0 1.963 4.939 2483 1652 A 54 SER H A 85 TYR HE1 1.0 1.954 4.838 2484 1652 A 54 SER H A 85 TYR HE2 1.0 1.954 4.838 2485 1653 A 55 HIS HD2 A 55 HIS H 1.0 1.921 4.493 2486 1654 A 64 CYS HA A 87 CYS HA 1.0 1.820 3.782 2487 1655 A 79 ASN HD22 A 86 ARG HA 1.0 1.978 5.180 2488 1656 A 90 PRO HA A 72 GLU HA 1.0 1.789 3.613 2489 1657 A 79 ASN HD22 A 79 ASN HA 1.0 1.998 6.290 2490 1658 A 79 ASN HD22 A 76 TRP HA 1.0 1.904 4.346 2491 1659 A 91 GLY HA3 A 72 GLU HA 1.0 1.996 5.632 2492 1660 A 91 GLY HA2 A 72 GLU HA 1.0 1.999 5.771 2493 1661 A 64 CYS HA A 64 CYS HB3 1.0 1.882 4.172 2494 1662 A 64 CYS HA A 85 TYR HB2 1.0 1.870 4.090 2495 1663 A 64 CYS HA A 85 TYR HB3 1.0 1.998 5.762 2496 1664 A 79 ASN HD22 A 76 TRP HB3 1.0 1.999 6.179 2497 1665 A 64 CYS HA A 82 CYS HB2 1.0 1.996 6.388 2498 1666 A 79 ASN HD22 A 86 ARG HB3 1.0 1.932 4.590 2499 1667 A 79 ASN HD22 A 74 THR HG2% 1.0 1.843 3.915 2500 1668 A 68 CYS HB3 A 72 GLU HA 1.0 1.998 5.748 2501 1669 A 73 TYR HB3 A 72 GLU HA 1.0 2.000 6.010 2502 1670 A 90 PRO HB2 A 72 GLU HA 1.0 1.989 5.401 2503 1671 A 72 GLU HG3 A 72 GLU HA 1.0 1.886 4.208 2504 1672 A 72 GLU HG2 A 72 GLU HA 1.0 1.865 4.055 2505 1673 A 72 GLU HA A 72 GLU HB2 1.0 1.870 4.092 2506 1674 A 78 ASN HA A 79 ASN HA 1.0 1.996 6.324 2507 1675 A 74 THR HA A 88 CYS HA 1.0 1.811 3.729 2508 1676 A 15 THR HA A 40 ARG HA 1.0 1.987 5.369 2509 1677 A 89 ARG HA A 90 PRO HD2 1.0 1.722 3.292 2510 1678 A 69 PHE HA A 70 SER HA 1.0 0.000 6.000 2511 1679 A 16 VAL HA A 17 SER HA 1.0 0.000 6.000 2512 1680 A 39 ARG HA A 40 ARG HA 1.0 1.972 5.088 2513 1681 A 43 ASN HA A 42 GLU HA 1.0 1.987 5.385 2514 1682 A 91 GLY HA3 A 90 PRO HA 1.0 1.968 5.026 2515 1683 A 56 SER HA A 63 TRP HA 1.0 1.614 2.872 2516 1684 A 63 TRP HA A 56 SER HB2 1.0 1.973 5.093 2517 1685 A 90 PRO HA A 91 GLY HA2 1.0 1.937 4.645 2518 1686 A 14 LEU HA A 15 THR HB 1.0 0.000 6.000 2519 1687 A 15 THR HA A 15 THR HB 1.0 1.752 3.430 2520 1688 A 90 PRO HD3 A 89 ARG HA 1.0 1.786 3.594 2521 1689 A 85 TYR HA A 66 PRO HA 1.0 1.800 3.672 2522 1690 A 90 PRO HD3 A 90 PRO HA 1.0 1.991 5.457 2523 1691 A 73 TYR HA A 74 THR HB 1.0 1.968 5.008 2524 1692 A 89 ARG HA A 62 GLY HA3 1.0 1.926 4.530 2525 1693 A 62 GLY HA2 A 62 GLY HA3 1.0 1.578 2.748 2526 1694 A 73 TYR HB3 A 73 TYR HA 1.0 1.691 3.165 2527 1695 A 78 ASN HA A 87 CYS HB3 1.0 1.999 5.785 2528 1696 A 88 CYS HA A 88 CYS HB3 1.0 1.889 4.225 2529 1697 A 88 CYS HA A 88 CYS HB2 1.0 1.862 4.036 2530 1698 A 39 ARG HA A 39 ARG HD2 1.0 1.951 4.797 2531 1699 A 39 ARG HA A 39 ARG HD3 1.0 1.963 4.955 2532 1700 A 69 PHE HA A 69 PHE HB3 1.0 1.888 4.218 2533 1701 A 75 ASP HA A 75 ASP HB3 1.0 1.903 4.333 2534 1702 A 16 VAL HA A 16 VAL HB 1.0 1.656 3.026 2535 1703 A 78 ASN HB3 A 78 ASN HA 1.0 1.856 3.998 2536 1704 A 89 ARG HA A 90 PRO HG2 1.0 1.970 5.046 2537 1705 A 39 ARG HA A 39 ARG HB2 1.0 1.761 3.473 2538 1706 A 15 THR HA A 39 ARG HB3 1.0 1.883 4.181 2539 1707 A 15 THR HA A 39 ARG HB2 1.0 1.905 4.349 2540 1708 A 89 ARG HA A 89 ARG HB3 1.0 1.885 4.201 2541 1709 A 39 ARG HA A 39 ARG HB3 1.0 1.797 3.651 2542 1710 A 39 ARG HA A 39 ARG HG3 1.0 1.809 3.715 2543 1711 A 39 ARG HA A 39 ARG HG2 1.0 1.842 3.908 2544 1712 A 15 THR HA A 39 ARG HG3 1.0 1.957 4.869 2545 1713 A 58 ALA HB% A 78 ASN HA 1.0 1.985 5.331 2546 1714 A 39 ARG HA A 40 ARG HB2 1.0 1.985 5.339 2547 1715 A 67 THR HG2% A 69 PHE HA 1.0 1.996 5.646 2548 1716 A 81 VAL HG1% A 78 ASN HA 1.0 1.971 5.065 2549 1717 A 81 VAL HG2% A 78 ASN HA 1.0 1.979 5.205 2550 1718 A 15 THR HA A 15 THR HG2% 1.0 1.561 2.689 2551 1719 A 57 CYS HA A 81 VAL HG1% 1.0 1.707 3.233 2552 1720 A 16 VAL HA A 20 VAL HG1% 1.0 1.936 4.634 2553 1721 A 57 CYS HA A 81 VAL HG2% 1.0 0.000 6.000 2554 1722 A 16 VAL HA A 16 VAL HG1% 1.0 1.518 2.554 2555 1723 A 38 ILE HG2% A 15 THR HA 1.0 1.890 4.236 2556 1724 A 39 ARG HA A 38 ILE HG2% 1.0 1.855 3.989 2557 1725 A 89 ARG HA A 89 ARG HB2 1.0 1.942 4.692 2558 1726 A 88 CYS HA A 89 ARG HB2 1.0 2.000 6.036 2559 1727 A 16 VAL HA A 20 VAL HG2% 1.0 1.844 3.924 2560 1728 A 39 ARG HA A 33 LEU HD2% 1.0 1.999 5.835 2561 1729 A 39 ARG HA A 40 ARG HB3 1.0 1.998 5.746 2562 1730 A 16 VAL HA A 24 LEU HD2% 1.0 1.989 5.427 2563 1731 A 74 THR HG2% A 88 CYS HA 1.0 1.977 5.163 2564 1732 A 7 PRO HD3 A 6 LEU HA 1.0 1.622 2.902 2565 1733 A 28 TYR HA A 27 VAL HA 1.0 1.977 5.165 2566 1734 A 65 ARG HA A 66 PRO HD2 1.0 1.795 3.647 2567 1735 A 61 ARG HA A 61 ARG HD2 1.0 1.918 4.462 2568 1736 A 85 TYR HA A 85 TYR HB3 1.0 1.929 4.563 2569 1737 A 68 CYS HA A 68 CYS HB3 1.0 1.820 3.782 2570 1738 A 28 TYR HB2 A 28 TYR HA 1.0 1.716 3.272 2571 1739 A 82 CYS HA A 64 CYS HB2 1.0 1.989 5.415 2572 1740 A 82 CYS HA A 82 CYS HB3 1.0 1.787 3.601 2573 1741 A 28 TYR HA A 28 TYR HB3 1.0 1.758 3.460 2574 1742 A 63 TRP HA A 63 TRP HB3 1.0 1.878 4.146 2575 1743 A 87 CYS HA A 87 CYS HB2 1.0 1.862 4.040 2576 1744 A 82 CYS HA A 82 CYS HB2 1.0 1.868 4.082 2577 1745 A 90 PRO HA A 90 PRO HB2 1.0 1.720 3.286 2578 1746 A 65 ARG HA A 66 PRO HD3 1.0 1.797 3.653 2579 1747 A 90 PRO HA A 90 PRO HG3 1.0 1.884 4.188 2580 1748 A 90 PRO HA A 90 PRO HG2 1.0 1.920 4.480 2581 1749 A 90 PRO HA A 90 PRO HB3 1.0 1.786 3.598 2582 1750 A 14 LEU HA A 14 LEU HB3 1.0 1.789 3.613 2583 1751 A 61 ARG HA A 61 ARG HB2 1.0 1.833 3.855 2584 1752 A 68 CYS HA A 72 GLU HG2 1.0 1.831 3.843 2585 1753 A 61 ARG HA A 61 ARG HG2 1.0 1.809 3.715 2586 1754 A 90 PRO HA A 72 GLU HB2 1.0 1.902 4.328 2587 1755 A 14 LEU HA A 14 LEU HG 1.0 1.711 3.249 2588 1756 A 14 LEU HA A 14 LEU HB2 1.0 1.760 3.470 2589 1757 A 58 ALA HB% A 61 ARG HA 1.0 1.932 4.602 2590 1758 A 38 ILE HA A 38 ILE HG13 1.0 1.820 3.778 2591 1759 A 68 CYS HA A 67 THR HG2% 1.0 1.975 5.133 2592 1760 A 14 LEU HA A 14 LEU HD2% 1.0 0.000 6.000 2593 1761 A 38 ILE HA A 38 ILE HG2% 1.0 1.608 2.852 2594 1762 A 14 LEU HA A 14 LEU HD1% 1.0 1.479 2.437 2595 1763 A 38 ILE HA A 38 ILE HD1% 1.0 1.846 3.934 2596 1764 A 38 ILE HA A 33 LEU HD2% 1.0 1.991 5.475 2597 1765 A 38 ILE HA A 24 LEU HD2% 1.0 1.996 5.640 2598 1766 A 87 CYS HA A 74 THR HG2% 1.0 1.989 6.601 2599 1767 A 28 TYR HA A 27 VAL HG2% 1.0 1.818 3.770 2600 1768 A 33 LEU HD1% A 28 TYR HA 1.0 1.972 5.074 2601 1769 A 8 ILE HG2% A 28 TYR HA 1.0 1.887 4.215 2602 1770 A 6 LEU HD2% A 6 LEU HA 1.0 1.803 3.687 2603 1771 A 6 LEU HD1% A 6 LEU HA 1.0 1.523 2.571 2604 1772 A 6 LEU HG A 6 LEU HA 1.0 1.825 3.809 2605 1773 A 6 LEU HB2 A 6 LEU HA 1.0 1.803 3.685 2606 1774 A 32 ALA HB% A 28 TYR HA 1.0 1.834 3.860 2607 1775 A 6 LEU HB3 A 6 LEU HA 1.0 1.876 4.132 2608 1776 A 7 PRO HG2 A 6 LEU HA 1.0 1.952 4.806 2609 1777 A 45 TYR HA A 46 GLN HB3 1.0 1.998 5.800 2610 1778 A 7 PRO HG3 A 6 LEU HA 1.0 1.876 4.132 2611 1779 A 45 TYR HA A 45 TYR HB3 1.0 1.685 3.143 2612 1780 A 7 PRO HD2 A 6 LEU HA 1.0 1.715 3.263 2613 1781 A 11 TYR HA A 10 SER HA 1.0 1.994 5.566 2614 1782 A 17 SER HB3 A 17 SER HA 1.0 1.764 3.488 2615 1783 A 91 GLY HA3 A 91 GLY HA2 1.0 1.474 2.424 2616 1784 A 56 SER HA A 56 SER HB3 1.0 1.577 2.743 2617 1785 A 17 SER HB3 A 17 SER HB2 1.0 1.547 2.645 2618 1786 A 13 GLY HA2 A 13 GLY HA3 1.0 1.494 2.480 2619 1787 A 54 SER HB3 A 54 SER HB2 1.0 1.625 2.911 2620 1788 A 29 GLY HA3 A 29 GLY HA2 1.0 1.535 2.609 2621 1789 A 50 SER HA A 50 SER HB3 1.0 1.703 3.215 2622 1790 A 50 SER HA A 50 SER HB2 1.0 1.775 3.541 2623 1791 A 17 SER HA A 19 PRO HD3 1.0 1.977 5.175 2624 1792 A 17 SER HA A 19 PRO HD2 1.0 1.974 5.114 2625 1793 A 26 THR HB A 26 THR HA 1.0 1.699 3.199 2626 1794 A 17 SER HB3 A 19 PRO HD2 1.0 1.843 3.915 2627 1795 A 90 PRO HD3 A 90 PRO HD2 1.0 1.642 2.974 2628 1796 A 67 THR HB A 67 THR HA 1.0 1.734 3.350 2629 1797 A 44 SER HA A 44 SER HB3 1.0 1.721 3.291 2630 1798 A 44 SER HA A 44 SER HB2 1.0 1.742 3.384 2631 1799 A 7 PRO HA A 7 PRO HD3 1.0 1.972 5.080 2632 1800 A 19 PRO HA A 20 VAL HA 1.0 1.984 5.300 2633 1801 A 7 PRO HA A 7 PRO HD2 1.0 1.901 4.319 2634 1802 A 26 THR HB A 27 VAL HA 1.0 1.952 4.804 2635 1803 A 18 ALA HA A 21 PHE HA 1.0 0.000 6.000 2636 1804 A 74 THR HA A 74 THR HB 1.0 1.901 4.319 2637 1805 A 20 VAL HA A 23 ALA HA 1.0 1.997 5.683 2638 1806 A 83 GLY HA3 A 83 GLY HA2 1.0 1.587 2.779 2639 1807 A 12 ALA HA A 9 ALA HA 1.0 1.970 5.040 2640 1808 A 52 HIS HA A 52 HIS HB3 1.0 1.739 3.369 2641 1809 A 52 HIS HB2 A 52 HIS HA 1.0 1.650 3.002 2642 1810 A 31 TYR HA A 31 TYR HB2 1.0 1.642 2.974 2643 1811 A 37 ASN HA A 37 ASN HB3 1.0 1.802 3.682 2644 1812 A 36 TYR HB3 A 12 ALA HA 1.0 1.770 3.516 2645 1813 A 13 GLY HA3 A 39 ARG HD2 1.0 1.942 4.698 2646 1814 A 55 HIS HA A 55 HIS HB3 1.0 1.666 3.062 2647 1815 A 31 TYR HA A 31 TYR HB3 1.0 1.759 3.461 2648 1816 A 64 CYS HB2 A 54 SER HA 1.0 1.945 4.727 2649 1817 A 25 VAL HA A 29 GLY HA3 1.0 1.890 4.230 2650 1818 A 87 CYS HB2 A 79 ASN HA 1.0 1.848 3.946 2651 1819 A 79 ASN HB3 A 79 ASN HA 1.0 1.797 3.655 2652 1820 A 79 ASN HA A 87 CYS HB3 1.0 0.000 6.000 2653 1821 A 18 ALA HA A 21 PHE HB3 1.0 1.826 3.812 2654 1822 A 76 TRP HA A 87 CYS HB3 1.0 0.000 6.000 2655 1823 A 76 TRP HA A 79 ASN HB3 1.0 1.740 3.376 2656 1824 A 18 ALA HA A 40 ARG HD3 1.0 1.865 4.059 2657 1825 A 81 VAL HB A 81 VAL HA 1.0 1.689 3.155 2658 1826 A 79 ASN HA A 82 CYS HB2 1.0 1.973 5.093 2659 1827 A 35 ARG HD3 A 32 ALA HA 1.0 1.931 4.581 2660 1828 A 54 SER HB3 A 51 ASP HB2 1.0 1.965 4.975 2661 1829 A 12 ALA HA A 36 TYR HB2 1.0 1.889 4.227 2662 1830 A 90 PRO HB2 A 90 PRO HD2 1.0 1.956 4.852 2663 1831 A 7 PRO HD2 A 7 PRO HD3 1.0 1.608 2.850 2664 1832 A 25 VAL HA A 29 GLY HA2 1.0 1.808 3.718 2665 1833 A 30 ALA HA A 25 VAL HA 1.0 1.882 4.174 2666 1834 A 32 ALA HA A 35 ARG HD2 1.0 1.989 5.413 2667 1835 A 71 HIS HB3 A 71 HIS HB2 1.0 1.557 2.679 2668 1836 A 21 PHE HB2 A 21 PHE HA 1.0 1.807 3.711 2669 1837 A 61 ARG HD2 A 61 ARG HD3 1.0 1.610 2.856 2670 1838 A 55 HIS HB3 A 55 HIS HB2 1.0 1.654 3.020 2671 1839 A 35 ARG HA A 35 ARG HD2 1.0 1.941 4.683 2672 1840 A 35 ARG HA A 35 ARG HD3 1.0 1.961 4.915 2673 1841 A 21 PHE HA A 21 PHE HB3 1.0 1.738 3.366 2674 1842 A 57 CYS HB3 A 87 CYS HB2 1.0 1.958 4.882 2675 1843 A 76 TRP HB2 A 76 TRP HB3 1.0 1.589 2.785 2676 1844 A 8 ILE HA A 11 TYR HB2 1.0 1.961 4.927 2677 1845 A 66 PRO HD3 A 66 PRO HD2 1.0 1.658 3.034 2678 1846 A 7 PRO HD2 A 7 PRO HB2 1.0 1.881 4.163 2679 1847 A 33 LEU HA A 36 TYR HB2 1.0 1.932 4.598 2680 1848 A 19 PRO HB3 A 19 PRO HD2 1.0 1.920 4.482 2681 1849 A 19 PRO HD3 A 19 PRO HB3 1.0 1.918 4.460 2682 1850 A 7 PRO HB2 A 7 PRO HD3 1.0 1.911 4.397 2683 1851 A 90 PRO HD3 A 90 PRO HG3 1.0 1.792 3.630 2684 1852 A 42 GLU HG2 A 41 ARG HA 1.0 1.943 4.701 2685 1853 A 90 PRO HD2 A 90 PRO HG2 1.0 1.821 3.787 2686 1854 A 90 PRO HG3 A 90 PRO HD2 1.0 1.831 3.839 2687 1855 A 90 PRO HB3 A 90 PRO HD2 1.0 1.916 4.442 2688 1856 A 17 SER HB3 A 19 PRO HG3 1.0 1.939 4.655 2689 1857 A 91 GLY HA3 A 90 PRO HB3 1.0 1.964 4.966 2690 1858 A 19 PRO HA A 19 PRO HG3 1.0 1.830 3.840 2691 1859 A 7 PRO HA A 7 PRO HG3 1.0 1.805 3.695 2692 1860 A 11 TYR HA A 14 LEU HB3 1.0 1.788 3.610 2693 1861 A 7 PRO HA A 7 PRO HG2 1.0 1.858 4.006 2694 1862 A 42 GLU HA A 42 GLU HB3 1.0 1.733 3.343 2695 1863 A 46 GLN HB2 A 46 GLN HA 1.0 1.799 3.667 2696 1864 A 3 GLN HA A 3 GLN HB2 1.0 1.798 3.658 2697 1865 A 46 GLN HA A 46 GLN HB3 1.0 1.794 3.638 2698 1866 A 48 ILE HA A 48 ILE HB 1.0 1.826 3.814 2699 1867 A 90 PRO HD2 A 89 ARG HB3 1.0 1.944 4.718 2700 1868 A 47 ARG HA A 47 ARG HB2 1.0 1.785 3.589 2701 1869 A 42 GLU HA A 42 GLU HB2 1.0 1.799 3.667 2702 1870 A 49 ARG HA A 49 ARG HB3 1.0 1.800 3.668 2703 1871 A 5 LEU HA A 5 LEU HB3 1.0 1.681 3.123 2704 1872 A 19 PRO HA A 19 PRO HB2 1.0 1.747 3.407 2705 1873 A 7 PRO HA A 7 PRO HB3 1.0 1.797 3.655 2706 1874 A 92 ARG HA A 92 ARG HB3 1.0 1.769 3.515 2707 1875 A 5 LEU HA A 5 LEU HB2 1.0 1.795 3.647 2708 1876 A 92 ARG HA A 92 ARG HB2 1.0 1.812 3.738 2709 1877 A 17 SER HA A 18 ALA HB% 1.0 0.000 6.000 2710 1878 A 23 ALA HB% A 26 THR HB 1.0 1.757 3.455 2711 1879 A 47 ARG HG3 A 47 ARG HA 1.0 1.874 4.114 2712 1880 A 18 ALA HA A 18 ALA HB% 1.0 1.472 2.416 2713 1881 A 12 ALA HB% A 12 ALA HA 1.0 1.529 2.589 2714 1882 A 19 PRO HA A 18 ALA HB% 1.0 1.896 4.280 2715 1883 A 19 PRO HA A 22 ALA HB% 1.0 0.000 6.000 2716 1884 A 30 ALA HB% A 29 GLY HA3 1.0 0.000 6.000 2717 1885 A 11 TYR HA A 14 LEU HB2 1.0 1.904 4.342 2718 1886 A 4 ALA HB% A 5 LEU HA 1.0 1.958 4.878 2719 1887 A 2 ALA HA A 2 ALA HB% 1.0 1.670 3.078 2720 1888 A 4 ALA HB% A 4 ALA HA 1.0 1.512 2.536 2721 1889 A 23 ALA HB% A 23 ALA HA 1.0 1.470 2.412 2722 1890 A 22 ALA HB% A 22 ALA HA 1.0 1.461 2.385 2723 1891 A 74 THR HA A 86 ARG HB2 1.0 1.982 5.272 2724 1892 A 86 ARG HG2 A 67 THR HA 1.0 1.956 4.856 2725 1893 A 8 ILE HB A 12 ALA HA 1.0 0.000 6.000 2726 1894 A 26 THR HG2% A 23 ALA HA 1.0 1.811 3.725 2727 1895 A 10 SER HA A 9 ALA HB% 1.0 1.913 4.419 2728 1896 A 40 ARG HA A 40 ARG HG2 1.0 1.914 4.424 2729 1897 A 7 PRO HA A 9 ALA HB% 1.0 1.987 5.353 2730 1898 A 40 ARG HB2 A 40 ARG HA 1.0 1.874 4.118 2731 1899 A 81 VAL HG1% A 81 VAL HA 1.0 1.722 3.296 2732 1900 A 81 VAL HG2% A 81 VAL HA 1.0 1.592 2.796 2733 1901 A 11 TYR HA A 14 LEU HD2% 1.0 1.507 2.521 2734 1902 A 11 TYR HA A 16 VAL HG1% 1.0 1.903 4.329 2735 1903 A 11 TYR HA A 38 ILE HG2% 1.0 1.946 4.742 2736 1904 A 16 VAL HG2% A 40 ARG HA 1.0 1.733 3.345 2737 1905 A 26 THR HB A 27 VAL HG1% 1.0 1.725 3.311 2738 1906 A 11 TYR HA A 38 ILE HD1% 1.0 1.928 4.560 2739 1907 A 7 PRO HA A 24 LEU HD1% 1.0 1.957 4.865 2740 1908 A 38 ILE HD1% A 12 ALA HA 1.0 1.815 3.751 2741 1909 A 17 SER HB3 A 20 VAL HG1% 1.0 1.915 4.439 2742 1910 A 17 SER HB2 A 20 VAL HG1% 1.0 1.896 4.280 2743 1911 A 16 VAL HG2% A 17 SER HB2 1.0 1.973 5.101 2744 1912 A 48 ILE HA A 48 ILE HG2% 1.0 1.678 3.112 2745 1913 A 18 ALA HA A 16 VAL HG2% 1.0 0.000 6.000 2746 1914 A 18 ALA HA A 40 ARG HG3 1.0 1.904 4.344 2747 1915 A 48 ILE HD1% A 48 ILE HA 1.0 1.836 3.874 2748 1916 A 5 LEU HD2% A 23 ALA HA 1.0 0.000 6.000 2749 1917 A 27 VAL HG1% A 23 ALA HA 1.0 1.856 3.998 2750 1918 A 33 LEU HD1% A 29 GLY HA3 1.0 2.000 5.954 2751 1919 A 40 ARG HA A 40 ARG HB3 1.0 1.872 4.102 2752 1920 A 74 THR HG2% A 86 ARG HA 1.0 1.927 4.551 2753 1921 A 74 THR HA A 74 THR HG2% 1.0 1.700 3.202 2754 1922 A 76 TRP HA A 74 THR HG2% 1.0 1.861 4.031 2755 1923 A 24 LEU HA A 27 VAL HG2% 1.0 1.866 4.066 2756 1924 A 24 LEU HD2% A 24 LEU HA 1.0 1.792 3.628 2757 1925 A 33 LEU HA A 24 LEU HD2% 1.0 1.996 5.680 2758 1926 A 33 LEU HA A 8 ILE HG2% 1.0 1.729 3.327 2759 1927 A 33 LEU HD2% A 24 LEU HA 1.0 1.924 4.516 2760 1928 A 33 LEU HD1% A 24 LEU HA 1.0 1.902 4.332 2761 1929 A 33 LEU HA A 33 LEU HD1% 1.0 1.632 2.936 2762 1930 A 30 ALA HA A 25 VAL HG2% 1.0 1.604 2.836 2763 1931 A 25 VAL HG2% A 22 ALA HA 1.0 1.730 3.332 2764 1932 A 90 PRO HD2 A 89 ARG HB2 1.0 1.990 5.434 2765 1933 A 90 PRO HD3 A 89 ARG HB2 1.0 1.981 5.231 2766 1934 A 5 LEU HD2% A 24 LEU HA 1.0 1.656 3.028 2767 1935 A 24 LEU HA A 27 VAL HG1% 1.0 1.798 3.662 2768 1936 A 15 THR HG2% A 15 THR HB 1.0 1.420 2.272 2769 1937 A 67 THR HG2% A 67 THR HA 1.0 1.664 3.058 2770 1938 A 24 LEU HA A 24 LEU HB2 1.0 1.815 3.755 2771 1939 A 30 ALA HA A 25 VAL HG1% 1.0 1.767 3.505 2772 1940 A 33 LEU HA A 38 ILE HG2% 1.0 1.874 4.124 2773 1941 A 33 LEU HA A 38 ILE HD1% 1.0 1.694 3.174 2774 1942 A 24 LEU HA A 24 LEU HD1% 1.0 1.548 2.646 2775 1943 A 20 VAL HG2% A 24 LEU HA 1.0 1.994 5.552 2776 1944 A 25 VAL HG1% A 26 THR HA 1.0 1.776 3.548 2777 1945 A 27 VAL HG1% A 26 THR HA 1.0 1.983 5.283 2778 1946 A 6 LEU HD1% A 7 PRO HD3 1.0 1.689 3.155 2779 1947 A 6 LEU HD2% A 7 PRO HD3 1.0 1.901 4.323 2780 1948 A 58 ALA HA A 81 VAL HG1% 1.0 1.976 5.150 2781 1949 A 67 THR HB A 67 THR HG2% 1.0 1.598 2.816 2782 1950 A 26 THR HG2% A 26 THR HA 1.0 1.528 2.584 2783 1951 A 58 ALA HA A 58 ALA HB% 1.0 1.583 2.767 2784 1952 A 35 ARG HG3 A 32 ALA HA 1.0 1.970 5.054 2785 1953 A 32 ALA HB% A 32 ALA HA 1.0 1.502 2.506 2786 1954 A 30 ALA HA A 30 ALA HB% 1.0 1.470 2.410 2787 1955 A 13 GLY HA2 A 14 LEU HG 1.0 1.889 4.227 2788 1956 A 19 PRO HD3 A 18 ALA HB% 1.0 1.563 2.697 2789 1957 A 66 PRO HA A 66 PRO HG3 1.0 1.914 4.428 2790 1958 A 33 LEU HA A 35 ARG HB3 1.0 0.000 6.000 2791 1959 A 90 PRO HD3 A 89 ARG HB3 1.0 1.913 4.419 2792 1960 A 19 PRO HD2 A 19 PRO HB2 1.0 1.894 4.264 2793 1961 A 19 PRO HD3 A 19 PRO HB2 1.0 1.928 4.556 2794 1962 A 66 PRO HA A 66 PRO HB2 1.0 1.783 3.581 2795 1963 A 22 ALA HA A 25 VAL HB 1.0 1.773 3.529 2796 1964 A 19 PRO HD2 A 19 PRO HG2 1.0 1.844 3.922 2797 1965 A 19 PRO HD3 A 19 PRO HG2 1.0 1.804 3.690 2798 1966 A 7 PRO HG2 A 7 PRO HD3 1.0 1.804 3.692 2799 1967 A 66 PRO HA A 66 PRO HG2 1.0 1.887 4.211 2800 1968 A 7 PRO HG3 A 7 PRO HD3 1.0 1.718 3.274 2801 1969 A 66 PRO HA A 66 PRO HB3 1.0 1.753 3.435 2802 1970 A 19 PRO HD2 A 19 PRO HG3 1.0 1.792 3.628 2803 1971 A 19 PRO HD3 A 19 PRO HG3 1.0 1.758 3.460 2804 1972 A 90 PRO HD3 A 90 PRO HG2 1.0 1.831 3.843 2805 1973 A 7 PRO HD2 A 7 PRO HG3 1.0 1.707 3.231 2806 1974 A 66 PRO HD2 A 66 PRO HB3 1.0 1.993 5.541 2807 1975 A 20 VAL HA A 20 VAL HB 1.0 1.788 3.606 2808 1976 A 7 PRO HD2 A 7 PRO HG2 1.0 1.827 3.821 2809 1977 A 66 PRO HD2 A 66 PRO HG2 1.0 1.886 4.204 2810 1978 A 21 PHE HA A 24 LEU HB3 1.0 1.861 4.029 2811 1979 A 20 VAL HA A 19 PRO HB2 1.0 1.992 5.516 2812 1980 A 35 ARG HA A 35 ARG HB3 1.0 1.769 3.511 2813 1981 A 7 PRO HD3 A 7 PRO HB3 1.0 1.913 4.423 2814 1982 A 6 LEU HB3 A 7 PRO HD3 1.0 1.990 5.452 2815 1983 A 66 PRO HA A 86 ARG HG2 1.0 1.975 5.141 2816 1984 A 6 LEU HB2 A 7 PRO HD3 1.0 1.835 3.865 2817 1985 A 6 LEU HG A 7 PRO HD3 1.0 0.000 6.000 2818 1986 A 8 ILE HA A 9 ALA HB% 1.0 1.981 5.227 2819 1987 A 35 ARG HA A 35 ARG HG3 1.0 1.880 4.160 2820 1988 A 58 ALA HB% A 57 CYS HB3 1.0 1.975 5.141 2821 1989 A 27 VAL HB A 27 VAL HA 1.0 1.879 4.151 2822 1990 A 20 VAL HA A 23 ALA HB% 1.0 1.616 2.878 2823 1991 A 35 ARG HA A 35 ARG HB2 1.0 1.771 3.521 2824 1992 A 26 THR HG2% A 27 VAL HA 1.0 1.778 3.560 2825 1993 A 35 ARG HA A 35 ARG HG2 1.0 1.888 4.220 2826 1994 A 8 ILE HA A 8 ILE HG13 1.0 1.900 4.316 2827 1995 A 21 PHE HA A 40 ARG HB2 1.0 0.000 6.000 2828 1996 A 81 VAL HG1% A 57 CYS HB3 1.0 1.712 3.256 2829 1997 A 21 PHE HA A 24 LEU HB2 1.0 1.929 4.563 2830 1998 A 81 VAL HG2% A 57 CYS HB3 1.0 0.000 6.000 2831 1999 A 19 PRO HD2 A 20 VAL HG1% 1.0 1.926 4.532 2832 2000 A 19 PRO HD3 A 20 VAL HG1% 1.0 1.986 5.350 2833 2001 A 20 VAL HA A 20 VAL HG1% 1.0 0.000 6.000 2834 2002 A 21 PHE HA A 16 VAL HG2% 1.0 1.639 2.963 2835 2003 A 27 VAL HG1% A 27 VAL HA 1.0 0.000 6.000 2836 2004 A 8 ILE HA A 8 ILE HG12 1.0 1.767 3.503 2837 2005 A 8 ILE HA A 24 LEU HD1% 1.0 0.000 6.000 2838 2006 A 58 ALA HB% A 62 GLY HA3 1.0 1.917 4.453 2839 2007 A 9 ALA HA A 9 ALA HB% 1.0 1.483 2.449 2840 2008 A 65 ARG HB2 A 66 PRO HD2 1.0 1.930 4.566 2841 2009 A 66 PRO HD2 A 66 PRO HG3 1.0 1.893 4.253 2842 2010 A 12 ALA HB% A 9 ALA HA 1.0 1.678 3.112 2843 2011 A 7 PRO HD2 A 7 PRO HB3 1.0 1.874 4.116 2844 2012 A 66 PRO HD2 A 66 PRO HB2 1.0 1.957 4.871 2845 2013 A 61 ARG HD2 A 61 ARG HG3 1.0 1.860 4.026 2846 2014 A 61 ARG HD2 A 61 ARG HG2 1.0 1.841 3.901 2847 2015 A 61 ARG HD2 A 61 ARG HB2 1.0 1.963 4.949 2848 2016 A 61 ARG HD2 A 61 ARG HB3 1.0 1.949 4.773 2849 2017 A 60 ASN HB2 A 60 ASN HB3 1.0 1.466 2.400 2850 2018 A 31 TYR HB2 A 31 TYR HB3 1.0 1.529 2.591 2851 2019 A 85 TYR HB3 A 85 TYR HB2 1.0 1.824 3.802 2852 2020 A 73 TYR HB3 A 73 TYR HB2 1.0 1.610 2.858 2853 2021 A 82 CYS HB3 A 85 TYR HB3 1.0 1.864 4.050 2854 2022 A 78 ASN HB2 A 57 CYS HB2 1.0 1.964 4.974 2855 2023 A 11 TYR HB3 A 11 TYR HB2 1.0 1.653 3.015 2856 2024 A 59 ASN HB2 A 59 ASN HB3 1.0 1.543 2.635 2857 2025 A 63 TRP HB2 A 63 TRP HB3 1.0 1.667 3.069 2858 2026 A 35 ARG HD3 A 35 ARG HD2 1.0 1.444 2.338 2859 2027 A 45 TYR HB2 A 45 TYR HB3 1.0 1.373 2.147 2860 2028 A 78 ASN HB2 A 78 ASN HB3 1.0 1.625 2.911 2861 2029 A 51 ASP HB2 A 51 ASP HB3 1.0 1.461 2.385 2862 2030 A 40 ARG HD2 A 40 ARG HD3 1.0 1.517 2.553 2863 2031 A 82 CYS HB3 A 82 CYS HB2 1.0 1.707 3.231 2864 2032 A 87 CYS HB2 A 75 ASP HB3 1.0 1.977 5.161 2865 2033 A 61 ARG HB3 A 61 ARG HD3 1.0 1.904 4.342 2866 2034 A 11 TYR HB3 A 14 LEU HB3 1.0 1.884 4.188 2867 2035 A 25 VAL HA A 25 VAL HB 1.0 1.806 3.700 2868 2036 A 61 ARG HB2 A 61 ARG HD3 1.0 1.940 4.672 2869 2037 A 61 ARG HG3 A 61 ARG HD3 1.0 1.809 3.719 2870 2038 A 61 ARG HG2 A 61 ARG HD3 1.0 1.730 3.334 2871 2039 A 39 ARG HB2 A 39 ARG HD3 1.0 1.902 4.322 2872 2040 A 39 ARG HB3 A 39 ARG HD3 1.0 1.890 4.232 2873 2041 A 39 ARG HB3 A 39 ARG HD2 1.0 1.830 3.834 2874 2042 A 1 PCA HB2 A 1 PCA HG2 1.0 0.000 6.000 2875 2043 A 90 PRO HB2 A 90 PRO HG3 1.0 1.793 3.633 2876 2044 A 90 PRO HB2 A 90 PRO HG2 1.0 1.767 3.505 2877 2045 A 19 PRO HB3 A 19 PRO HG3 1.0 1.746 3.402 2878 2046 A 90 PRO HB2 A 90 PRO HB3 1.0 1.583 2.765 2879 2047 A 1 PCA HB2 A 1 PCA HB3 1.0 1.600 2.824 2880 2048 A 66 PRO HD3 A 66 PRO HG2 1.0 1.897 4.287 2881 2049 A 21 PHE HB2 A 18 ALA HB% 1.0 0.000 6.000 2882 2050 A 36 TYR HB3 A 12 ALA HB% 1.0 1.624 2.908 2883 2051 A 28 TYR HB2 A 32 ALA HB% 1.0 1.609 2.855 2884 2052 A 77 PHE HB2 A 58 ALA HB% 1.0 0.000 6.000 2885 2053 A 36 TYR HB3 A 38 ILE HG13 1.0 1.904 4.342 2886 2054 A 35 ARG HD2 A 35 ARG HB3 1.0 1.968 5.022 2887 2055 A 35 ARG HD3 A 35 ARG HB3 1.0 1.982 5.262 2888 2056 A 21 PHE HB3 A 18 ALA HB% 1.0 1.951 4.793 2889 2057 A 35 ARG HD3 A 35 ARG HB2 1.0 1.960 4.902 2890 2058 A 35 ARG HB2 A 35 ARG HD2 1.0 1.963 4.947 2891 2059 A 18 ALA HB% A 40 ARG HD3 1.0 1.790 3.620 2892 2060 A 32 ALA HB% A 31 TYR HB3 1.0 1.930 4.572 2893 2061 A 88 CYS HB3 A 65 ARG HB3 1.0 1.988 5.402 2894 2062 A 35 ARG HD3 A 35 ARG HG3 1.0 1.851 3.963 2895 2063 A 35 ARG HG3 A 35 ARG HD2 1.0 1.915 4.437 2896 2064 A 65 ARG HB2 A 85 TYR HB2 1.0 2.000 6.034 2897 2065 A 35 ARG HG2 A 35 ARG HD2 1.0 1.916 4.446 2898 2066 A 35 ARG HD3 A 35 ARG HG2 1.0 1.872 4.098 2899 2067 A 40 ARG HD3 A 40 ARG HG2 1.0 1.863 4.041 2900 2068 A 40 ARG HB2 A 40 ARG HD3 1.0 1.924 4.516 2901 2069 A 57 CYS HB2 A 58 ALA HB% 1.0 1.951 4.795 2902 2070 A 81 VAL HG1% A 87 CYS HB3 1.0 1.988 5.398 2903 2071 A 57 CYS HB2 A 81 VAL HG1% 1.0 1.735 3.357 2904 2072 A 57 CYS HB2 A 81 VAL HG2% 1.0 1.892 4.256 2905 2073 A 38 ILE HD1% A 9 ALA HA 1.0 1.980 5.230 2906 2074 A 21 PHE HA A 33 LEU HD1% 1.0 0.000 6.000 2907 2075 A 21 PHE HA A 33 LEU HD2% 1.0 1.819 3.777 2908 2076 A 8 ILE HA A 8 ILE HG2% 1.0 1.421 2.277 2909 2077 A 8 ILE HA A 24 LEU HD2% 1.0 1.967 5.009 2910 2078 A 21 PHE HA A 24 LEU HD2% 1.0 1.653 3.017 2911 2079 A 8 ILE HD1% A 9 ALA HA 1.0 1.746 3.404 2912 2080 A 27 VAL HG2% A 27 VAL HA 1.0 1.564 2.702 2913 2081 A 74 THR HG2% A 74 THR HB 1.0 1.610 2.860 2914 2082 A 74 THR HG2% A 76 TRP HB3 1.0 1.985 5.325 2915 2083 A 28 TYR HB2 A 27 VAL HG2% 1.0 1.941 4.675 2916 2084 A 11 TYR HB3 A 24 LEU HD2% 1.0 1.847 3.941 2917 2085 A 28 TYR HB2 A 8 ILE HG2% 1.0 1.728 3.320 2918 2086 A 25 VAL HA A 33 LEU HD2% 1.0 1.739 3.373 2919 2087 A 28 TYR HB2 A 33 LEU HD1% 1.0 1.612 2.866 2920 2088 A 25 VAL HA A 25 VAL HG2% 1.0 1.522 2.568 2921 2089 A 21 PHE HB2 A 20 VAL HG2% 1.0 1.951 4.793 2922 2090 A 36 TYR HB3 A 38 ILE HD1% 1.0 1.649 2.999 2923 2091 A 11 TYR HB3 A 38 ILE HG2% 1.0 1.734 3.346 2924 2092 A 25 VAL HA A 25 VAL HG1% 1.0 1.581 2.759 2925 2093 A 11 TYR HB3 A 16 VAL HG1% 1.0 1.688 3.154 2926 2094 A 11 TYR HB3 A 14 LEU HD2% 1.0 1.800 3.670 2927 2095 A 78 ASN HB2 A 81 VAL HG2% 1.0 1.991 5.453 2928 2096 A 78 ASN HB2 A 81 VAL HG1% 1.0 1.931 4.581 2929 2097 A 21 PHE HB3 A 16 VAL HG2% 1.0 1.627 2.919 2930 2098 A 21 PHE HB3 A 40 ARG HG3 1.0 1.985 5.343 2931 2099 A 21 PHE HB3 A 38 ILE HG2% 1.0 1.960 4.906 2932 2100 A 40 ARG HG3 A 40 ARG HD3 1.0 1.881 4.165 2933 2101 A 21 PHE HB3 A 20 VAL HG2% 1.0 1.940 4.676 2934 2102 A 21 PHE HB3 A 33 LEU HD2% 1.0 1.989 5.413 2935 2103 A 90 PRO HG3 A 90 PRO HG2 1.0 1.567 2.711 2936 2104 A 90 PRO HB3 A 90 PRO HG3 1.0 1.709 3.239 2937 2105 A 7 PRO HB2 A 7 PRO HG3 1.0 1.668 3.072 2938 2106 A 19 PRO HB3 A 19 PRO HG2 1.0 1.755 3.447 2939 2107 A 7 PRO HB2 A 7 PRO HG2 1.0 1.766 3.496 2940 2108 A 19 PRO HB3 A 19 PRO HB2 1.0 1.557 2.677 2941 2109 A 66 PRO HD3 A 66 PRO HB2 1.0 1.983 5.279 2942 2110 A 7 PRO HB2 A 7 PRO HB3 1.0 1.599 2.819 2943 2111 A 72 GLU HB3 A 72 GLU HB2 1.0 1.849 3.951 2944 2112 A 66 PRO HD3 A 66 PRO HG3 1.0 1.859 4.015 2945 2113 A 12 ALA HB% A 36 TYR HB2 1.0 0.000 6.000 2946 2114 A 38 ILE HG12 A 36 TYR HB2 1.0 1.920 4.482 2947 2115 A 40 ARG HD2 A 18 ALA HB% 1.0 1.898 4.294 2948 2116 A 53 ASP HB2 A 53 ASP HB3 1.0 1.687 3.147 2949 2117 A 58 ALA HB% A 75 ASP HB3 1.0 1.968 5.018 2950 2118 A 7 PRO HB2 A 9 ALA HB% 1.0 1.968 5.032 2951 2119 A 58 ALA HB% A 78 ASN HB3 1.0 1.842 3.910 2952 2120 A 68 CYS HB2 A 67 THR HG2% 1.0 1.998 5.740 2953 2121 A 40 ARG HD2 A 40 ARG HB2 1.0 1.898 4.298 2954 2122 A 81 VAL HB A 81 VAL HG1% 1.0 1.568 2.714 2955 2123 A 81 VAL HB A 81 VAL HG2% 1.0 1.538 2.616 2956 2124 A 11 TYR HB2 A 14 LEU HD2% 1.0 1.885 4.197 2957 2125 A 11 TYR HB2 A 16 VAL HG1% 1.0 1.843 3.919 2958 2126 A 11 TYR HB2 A 38 ILE HG2% 1.0 1.808 3.714 2959 2127 A 38 ILE HG2% A 36 TYR HB2 1.0 1.985 5.323 2960 2128 A 38 ILE HD1% A 36 TYR HB2 1.0 1.764 3.488 2961 2129 A 11 TYR HB2 A 38 ILE HD1% 1.0 1.734 3.348 2962 2130 A 16 VAL HB A 20 VAL HG1% 1.0 1.815 3.753 2963 2131 A 19 PRO HB3 A 20 VAL HG1% 1.0 1.946 4.746 2964 2132 A 16 VAL HB A 38 ILE HG2% 1.0 1.946 4.734 2965 2133 A 33 LEU HD1% A 28 TYR HB3 1.0 1.811 3.729 2966 2134 A 33 LEU HD2% A 28 TYR HB3 1.0 1.873 4.109 2967 2135 A 11 TYR HB2 A 24 LEU HD2% 1.0 1.889 4.225 2968 2136 A 8 ILE HG2% A 36 TYR HB2 1.0 1.847 3.937 2969 2137 A 8 ILE HD1% A 7 PRO HB2 1.0 1.888 4.218 2970 2138 A 16 VAL HB A 24 LEU HD2% 1.0 1.948 4.766 2971 2139 A 27 VAL HG2% A 28 TYR HB3 1.0 1.957 4.871 2972 2140 A 74 THR HG2% A 87 CYS HB2 1.0 1.999 6.151 2973 2141 A 19 PRO HG3 A 19 PRO HG2 1.0 1.585 2.771 2974 2142 A 42 GLU HB3 A 42 GLU HB2 1.0 1.465 2.399 2975 2143 A 46 GLN HB2 A 46 GLN HB3 1.0 1.436 2.316 2976 2144 A 61 ARG HB3 A 61 ARG HG2 1.0 1.858 4.012 2977 2145 A 7 PRO HG3 A 7 PRO HB3 1.0 1.794 3.642 2978 2146 A 7 PRO HG2 A 7 PRO HB3 1.0 1.814 3.746 2979 2147 A 49 ARG HB2 A 49 ARG HB3 1.0 1.563 2.697 2980 2148 A 66 PRO HG2 A 66 PRO HG3 1.0 1.672 3.090 2981 2149 A 66 PRO HB3 A 66 PRO HG3 1.0 1.900 4.314 2982 2150 A 14 LEU HB3 A 14 LEU HG 1.0 1.679 3.117 2983 2151 A 22 ALA HB% A 25 VAL HB 1.0 1.932 4.588 2984 2152 A 14 LEU HB3 A 14 LEU HB2 1.0 1.646 2.988 2985 2153 A 58 ALA HB% A 61 ARG HB3 1.0 1.856 3.994 2986 2154 A 58 ALA HB% A 61 ARG HB2 1.0 1.791 3.623 2987 2155 A 47 ARG HB3 A 47 ARG HB2 1.0 1.503 2.509 2988 2156 A 5 LEU HB3 A 5 LEU HB2 1.0 1.408 2.240 2989 2157 A 48 ILE HG12 A 48 ILE HB 1.0 1.930 4.574 2990 2158 A 39 ARG HB2 A 39 ARG HG2 1.0 1.887 4.217 2991 2159 A 6 LEU HB2 A 6 LEU HB3 1.0 1.852 3.972 2992 2160 A 58 ALA HB% A 89 ARG HB3 1.0 1.942 4.694 2993 2161 A 48 ILE HB A 48 ILE HG13 1.0 1.962 4.940 2994 2162 A 24 LEU HB3 A 24 LEU HB2 1.0 1.680 3.120 2995 2163 A 35 ARG HG2 A 35 ARG HB3 1.0 1.854 3.984 2996 2164 A 20 VAL HB A 20 VAL HG1% 1.0 1.535 2.605 2997 2165 A 14 LEU HB3 A 14 LEU HD2% 1.0 1.583 2.765 2998 2166 A 14 LEU HB3 A 16 VAL HG1% 1.0 1.784 3.582 2999 2167 A 6 LEU HD1% A 7 PRO HG3 1.0 1.936 4.634 3000 2168 A 14 LEU HB3 A 14 LEU HD1% 1.0 1.726 3.312 3001 2169 A 25 VAL HG1% A 25 VAL HB 1.0 1.547 2.645 3002 2170 A 6 LEU HD1% A 7 PRO HG2 1.0 1.994 5.562 3003 2171 A 25 VAL HG2% A 25 VAL HB 1.0 1.543 2.635 3004 2172 A 24 LEU HG A 24 LEU HD1% 1.0 1.736 3.354 3005 2173 A 16 VAL HB A 20 VAL HG2% 1.0 1.641 2.969 3006 2174 A 20 VAL HG2% A 20 VAL HB 1.0 1.546 2.640 3007 2175 A 33 LEU HD1% A 24 LEU HG 1.0 1.765 3.493 3008 2176 A 33 LEU HD2% A 24 LEU HB3 1.0 1.760 3.468 3009 2177 A 8 ILE HG2% A 24 LEU HG 1.0 1.956 4.866 3010 2178 A 24 LEU HD2% A 20 VAL HB 1.0 1.975 5.133 3011 2179 A 48 ILE HB A 48 ILE HG2% 1.0 1.590 2.786 3012 2180 A 48 ILE HD1% A 48 ILE HB 1.0 1.798 3.658 3013 2181 A 5 LEU HD2% A 5 LEU HB3 1.0 1.421 2.273 3014 2182 A 19 PRO HB2 A 20 VAL HG1% 1.0 1.863 4.045 3015 2183 A 15 THR HG2% A 39 ARG HB2 1.0 1.803 3.691 3016 2184 A 39 ARG HB3 A 15 THR HG2% 1.0 1.671 3.085 3017 2185 A 6 LEU HB3 A 6 LEU HD1% 1.0 0.000 6.000 3018 2186 A 6 LEU HB3 A 24 LEU HD1% 1.0 0.000 6.000 3019 2187 A 6 LEU HD2% A 6 LEU HB3 1.0 1.507 2.523 3020 2188 A 24 LEU HD1% A 5 LEU HB3 1.0 1.873 4.111 3021 2189 A 89 ARG HB3 A 89 ARG HB2 1.0 1.761 3.473 3022 2190 A 33 LEU HB2 A 33 LEU HD1% 1.0 1.689 3.159 3023 2191 A 27 VAL HG2% A 5 LEU HB3 1.0 1.999 5.753 3024 2192 A 75 ASP HB2 A 74 THR HG2% 1.0 1.998 6.256 3025 2193 A 48 ILE HG12 A 48 ILE HG13 1.0 1.550 2.654 3026 2194 A 35 ARG HB2 A 35 ARG HG2 1.0 1.872 4.100 3027 2195 A 12 ALA HB% A 9 ALA HB% 1.0 1.905 4.345 3028 2196 A 35 ARG HG3 A 35 ARG HG2 1.0 1.613 2.869 3029 2197 A 41 ARG HB2 A 15 THR HG2% 1.0 1.622 2.902 3030 2198 A 14 LEU HG A 14 LEU HD2% 1.0 1.508 2.526 3031 2199 A 14 LEU HB2 A 14 LEU HD2% 1.0 1.622 2.902 3032 2200 A 14 LEU HB2 A 16 VAL HG1% 1.0 1.814 3.742 3033 2201 A 16 VAL HG2% A 18 ALA HB% 1.0 1.984 5.302 3034 2202 A 23 ALA HB% A 5 LEU HD2% 1.0 1.432 2.304 3035 2203 A 48 ILE HG12 A 48 ILE HG2% 1.0 1.806 3.706 3036 2204 A 38 ILE HB A 38 ILE HG2% 1.0 1.578 2.748 3037 2205 A 32 ALA HB% A 8 ILE HG12 1.0 1.988 5.388 3038 2206 A 30 ALA HB% A 25 VAL HG2% 1.0 1.590 2.786 3039 2207 A 38 ILE HB A 33 LEU HD1% 1.0 1.880 4.158 3040 2208 A 33 LEU HD1% A 33 LEU HG 1.0 1.546 2.644 3041 2209 A 40 ARG HG3 A 40 ARG HG2 1.0 1.701 3.205 3042 2210 A 48 ILE HG13 A 48 ILE HG2% 1.0 1.747 3.409 3043 2211 A 38 ILE HG2% A 38 ILE HG13 1.0 1.566 2.708 3044 2212 A 38 ILE HD1% A 38 ILE HG13 1.0 1.691 3.163 3045 2213 A 6 LEU HG A 6 LEU HD1% 1.0 1.736 3.360 3046 2214 A 6 LEU HD2% A 6 LEU HG 1.0 1.652 3.010 3047 2215 A 24 LEU HD1% A 24 LEU HB2 1.0 1.685 3.139 3048 2216 A 33 LEU HD1% A 24 LEU HB2 1.0 1.731 3.337 3049 2217 A 33 LEU HD2% A 24 LEU HB2 1.0 1.753 3.439 3050 2218 A 38 ILE HB A 33 LEU HD2% 1.0 1.809 3.717 3051 2219 A 33 LEU HD2% A 33 LEU HG 1.0 1.559 2.685 3052 2220 A 32 ALA HB% A 8 ILE HG2% 1.0 1.510 2.528 3053 2221 A 24 LEU HD2% A 33 LEU HG 1.0 1.913 4.423 3054 2222 A 27 VAL HB A 27 VAL HG2% 1.0 1.508 2.524 3055 2223 A 86 ARG HG3 A 74 THR HG2% 1.0 1.938 4.652 3056 2224 A 86 ARG HB2 A 74 THR HG2% 1.0 1.673 3.091 3057 2225 A 8 ILE HD1% A 9 ALA HB% 1.0 1.683 3.131 3058 2226 A 24 LEU HD2% A 24 LEU HB2 1.0 1.658 3.034 3059 2227 A 27 VAL HG2% A 26 THR HG2% 1.0 1.945 4.719 3060 2228 A 20 VAL HG2% A 38 ILE HG2% 1.0 0.000 6.000 3061 2229 A 5 LEU HD2% A 24 LEU HD1% 1.0 1.621 2.895 3062 2230 A 20 VAL HG2% A 20 VAL HG1% 1.0 1.474 2.422 3063 2231 A 38 ILE HG2% A 33 LEU HD1% 1.0 1.745 3.399 3064 2232 A 16 VAL HG2% A 33 LEU HD2% 1.0 1.986 5.332 3065 2233 A 33 LEU HD2% A 38 ILE HG2% 1.0 1.672 3.088 3066 2234 A 33 LEU HD2% A 38 ILE HD1% 1.0 0.000 6.000 3067 2235 A 25 VAL HG2% A 33 LEU HD2% 1.0 1.641 2.967 3068 2236 A 38 ILE HD1% A 33 LEU HD1% 1.0 1.824 3.806 3069 2237 A 25 VAL HG2% A 33 LEU HD1% 1.0 0.000 6.000 3070 2238 A 24 LEU HD2% A 24 LEU HD1% 1.0 1.484 2.452 3071 2239 A 20 VAL HG2% A 24 LEU HD2% 1.0 1.618 2.886 3072 2240 A 16 VAL HG2% A 24 LEU HD2% 1.0 1.623 2.903 3073 2241 A 38 ILE HG2% A 24 LEU HD2% 1.0 1.633 2.943 3074 2242 A 40 ARG HG3 A 40 ARG HB3 1.0 1.939 4.671 3075 2243 A 27 VAL HG2% A 24 LEU HD1% 1.0 1.970 5.056 3076 2244 A 27 VAL HG2% A 27 VAL HG1% 1.0 1.417 2.263 3077 2245 A 33 LEU HD2% A 24 LEU HD2% 1.0 1.839 3.887 3078 2246 A 24 LEU HD2% A 33 LEU HD1% 1.0 1.813 3.741 3079 2247 A 33 LEU HD2% A 33 LEU HD1% 1.0 1.781 3.571 3080 2248 A 88 CYS H A 57 CYS HB3 1.0 1.987 6.663 3081 2249 A 22 ALA H A 18 ALA H 1.0 1.989 6.607 3082 2250 A 62 GLY H A 58 ALA H 1.0 1.991 6.543 3083 2251 A 63 TRP HZ2 A 63 TRP HE1 1.0 1.986 6.688 3084 2252 A 77 PHE HD2 A 78 ASN HD21 1.0 2.000 6.026 3085 2252 A 77 PHE HD1 A 78 ASN HD21 1.0 2.000 6.026 3086 2253 A 62 GLY H A 61 ARG H 1.0 1.663 3.055 3087 2254 A 24 LEU H A 26 THR H 1.0 1.980 5.216 3088 2255 A 73 TYR HE2 A 78 ASN HD21 1.0 1.998 5.738 3089 2255 A 73 TYR HE1 A 78 ASN HD21 1.0 1.998 5.738 3090 2256 A 73 TYR HD1 A 72 GLU HA 1.0 1.893 4.255 3091 2256 A 73 TYR HD2 A 72 GLU HA 1.0 1.893 4.255 3092 2257 A 73 TYR HE2 A 72 GLU HA 1.0 1.990 5.442 3093 2257 A 73 TYR HE1 A 72 GLU HA 1.0 1.990 5.442 3094 2258 A 64 CYS HA A 65 ARG HB2 1.0 1.999 5.847 3095 2259 A 39 ARG H A 33 LEU HD1% 1.0 1.988 6.640 3096 2260 A 26 THR H A 24 LEU HD2% 1.0 1.994 6.412 3097 2261 A 33 LEU HD2% A 27 VAL H 1.0 1.979 6.825 3098 2262 A 21 PHE H A 24 LEU HB3 1.0 1.999 6.171 3099 2263 A 89 ARG H A 72 GLU HG2 1.0 1.996 6.358 3100 2264 A 89 ARG H A 62 GLY HA3 1.0 1.990 6.584 3101 2265 A 22 ALA H A 16 VAL HG2% 1.0 0.000 6.000 3102 2266 A 18 ALA H A 40 ARG HG3 1.0 1.967 5.007 3103 2267 A 16 VAL H A 38 ILE HG2% 1.0 1.962 4.934 3104 2268 A 36 TYR HD2 A 8 ILE HD1% 1.0 0.000 6.000 3105 2268 A 36 TYR HD1 A 8 ILE HD1% 1.0 0.000 6.000 3106 2269 A 32 ALA H A 35 ARG HB3 1.0 1.930 4.576 3107 2270 A 47 ARG H A 47 ARG HG2 1.0 0.000 6.000 3108 2271 A 49 ARG HG2 A 49 ARG H 1.0 1.942 4.704 3109 2272 A 20 VAL H A 18 ALA HB% 1.0 1.925 4.521 3110 2273 A 39 ARG H A 39 ARG HG3 1.0 1.906 4.366 3111 2274 A 11 TYR HD2 A 38 ILE HG12 1.0 1.920 4.484 3112 2274 A 11 TYR HD1 A 38 ILE HG12 1.0 1.920 4.484 3113 2275 A 55 HIS HD2 A 53 ASP HB3 1.0 1.966 4.992 3114 2276 A 53 ASP H A 53 ASP HB3 1.0 1.845 3.927 3115 2277 A 58 ALA HB% A 73 TYR HE2 1.0 0.000 6.000 3116 2277 A 58 ALA HB% A 73 TYR HE1 1.0 0.000 6.000 3117 2278 A 63 TRP HD1 A 63 TRP HA 1.0 1.943 4.711 3118 2279 A 87 CYS H A 86 ARG HA 1.0 1.613 2.869 3119 2280 A 7 PRO HA A 8 ILE H 1.0 1.509 2.527 3120 2281 A 82 CYS H A 81 VAL HA 1.0 1.753 3.437 3121 2282 A 5 LEU H A 4 ALA HA 1.0 1.468 2.404 3122 2283 A 60 ASN HD22 A 56 SER HB2 1.0 1.921 4.491 3123 2284 A 56 SER H A 56 SER HB2 1.0 1.893 4.255 3124 2285 A 16 VAL H A 15 THR HB 1.0 1.865 4.057 3125 2286 A 86 ARG H A 67 THR H 1.0 1.967 7.055 3126 2287 A 17 SER H A 11 TYR HD2 1.0 1.988 6.638 3127 2287 A 17 SER H A 11 TYR HD1 1.0 1.988 6.638 3128 2288 A 65 ARG HE A 69 PHE HZ 1.0 1.997 6.283 3129 2289 A 63 TRP HE3 A 63 TRP HZ3 1.0 1.459 2.381 3130 2290 A 75 ASP HA A 78 ASN H 1.0 1.999 6.111 3131 2291 A 21 PHE H A 19 PRO HD3 1.0 1.999 6.127 3132 2292 A 35 ARG H A 33 LEU HA 1.0 1.997 5.717 3133 2293 A 60 ASN H A 56 SER HB3 1.0 1.997 5.737 3134 2294 A 63 TRP H A 90 PRO HD2 1.0 1.984 6.734 3135 2295 A 51 ASP HB2 A 53 ASP H 1.0 1.999 6.239 3136 2296 A 38 ILE H A 37 ASN HB2 1.0 0.000 6.000 3137 2297 A 14 LEU H A 37 ASN HB2 1.0 2.000 6.064 3138 2298 A 14 LEU H A 11 TYR HB2 1.0 1.995 5.617 3139 2299 A 22 ALA H A 40 ARG HD2 1.0 1.999 6.089 3140 2300 A 75 ASP HB3 A 78 ASN HD21 1.0 1.995 6.415 3141 2301 A 16 VAL H A 14 LEU HB3 1.0 1.999 6.235 3142 2302 A 87 CYS H A 75 ASP HB2 1.0 1.978 6.862 3143 2303 A 73 TYR H A 89 ARG HB3 1.0 1.983 6.769 3144 2304 A 75 ASP H A 89 ARG HB3 1.0 2.000 5.850 3145 2305 A 18 ALA H A 40 ARG HG2 1.0 1.995 5.609 3146 2306 A 21 PHE H A 40 ARG HG2 1.0 1.998 6.244 3147 2307 A 23 ALA H A 20 VAL HG1% 1.0 1.981 5.221 3148 2308 A 23 ALA H A 24 LEU HB2 1.0 1.994 5.570 3149 2309 A 79 ASN H A 81 VAL HG2% 1.0 1.999 5.833 3150 2310 A 34 TYR H A 35 ARG HG2 1.0 2.000 5.978 3151 2311 A 77 PHE HD2 A 58 ALA HB% 1.0 1.991 6.545 3152 2311 A 77 PHE HD1 A 58 ALA HB% 1.0 1.991 6.545 3153 2312 A 36 TYR HD1 A 35 ARG HG3 1.0 2.000 6.026 3154 2312 A 36 TYR HD2 A 35 ARG HG3 1.0 2.000 6.026 3155 2313 A 6 LEU H A 24 LEU HD1% 1.0 1.996 6.368 3156 2314 A 25 VAL H A 24 LEU HD1% 1.0 1.987 5.381 3157 2315 A 41 ARG H A 20 VAL HG2% 1.0 1.987 6.643 3158 2316 A 6 LEU H A 24 LEU HD2% 1.0 1.995 6.423 3159 2317 A 11 TYR HD2 A 24 LEU HG 1.0 1.998 6.292 3160 2317 A 11 TYR HD1 A 24 LEU HG 1.0 1.998 6.292 3161 2318 A 64 CYS HA A 81 VAL HG1% 1.0 1.971 6.991 3162 2319 A 79 ASN HD22 A 86 ARG HG3 1.0 2.000 6.168 3163 2320 A 74 THR HG2% A 73 TYR HB2 1.0 1.974 6.936 3164 2321 A 27 VAL HG2% A 26 THR HA 1.0 1.978 6.854 3165 2322 A 75 ASP HA A 74 THR HG2% 1.0 1.949 4.777 3166 2323 A 21 PHE HB3 A 40 ARG HB3 1.0 2.000 5.972 3167 2324 A 21 PHE HB3 A 24 LEU HD2% 1.0 1.951 4.795 3168 2325 A 8 ILE HG2% A 24 LEU HA 1.0 0.000 6.000 3169 2326 A 33 LEU HD2% A 34 TYR HA 1.0 1.997 6.287 3170 2327 A 38 ILE HA A 8 ILE HG2% 1.0 1.998 6.262 3171 2328 A 38 ILE HA A 33 LEU HD1% 1.0 2.000 6.044 3172 2329 A 8 ILE HA A 33 LEU HD1% 1.0 1.976 6.912 3173 2330 A 8 ILE HA A 33 LEU HD2% 1.0 1.999 6.167 3174 2331 A 89 ARG HB2 A 62 GLY HA3 1.0 1.958 7.204 3175 2332 A 33 LEU HD2% A 38 ILE HG13 1.0 1.994 6.448 3176 2333 A 75 ASP HB2 A 89 ARG HB2 1.0 1.990 6.576 3177 2334 A 9 ALA HB% A 8 ILE HG12 1.0 1.999 6.063 3178 2335 A 9 ALA HA A 8 ILE HG12 1.0 1.990 6.558 3179 2336 A 33 LEU HA A 8 ILE HG12 1.0 1.996 6.380 3180 2337 A 7 PRO HA A 8 ILE HG12 1.0 1.987 6.663 3181 2338 A 26 THR HB A 24 LEU HD1% 1.0 1.991 6.549 3182 2339 A 37 ASN HA A 38 ILE HD1% 1.0 1.989 6.609 3183 2340 A 25 VAL HG2% A 29 GLY HA3 1.0 1.893 4.259 3184 2341 A 28 TYR HA A 24 LEU HD1% 1.0 0.000 6.000 3185 2342 A 82 CYS HA A 81 VAL HG2% 1.0 1.999 5.805 3186 2343 A 82 CYS HA A 81 VAL HG1% 1.0 1.936 4.636 3187 2344 A 58 ALA HA A 81 VAL HG2% 1.0 1.995 6.413 3188 2345 A 81 VAL HG2% A 87 CYS HB3 1.0 1.999 6.189 3189 2346 A 21 PHE HB3 A 20 VAL HG1% 1.0 1.998 5.732 3190 2347 A 81 VAL HG1% A 82 CYS HB2 1.0 1.956 7.228 3191 2348 A 78 ASN HB3 A 81 VAL HG1% 1.0 1.998 5.768 3192 2349 A 67 THR HG2% A 66 PRO HB2 1.0 0.000 6.000 3193 2350 A 58 ALA HB% A 61 ARG HG3 1.0 1.998 5.774 3194 2351 A 28 TYR HB3 A 24 LEU HB2 1.0 1.999 5.907 3195 2352 A 21 PHE HB3 A 40 ARG HG2 1.0 1.999 6.069 3196 2353 A 58 ALA HB% A 59 ASN HB3 1.0 1.996 6.390 3197 2354 A 25 VAL HA A 24 LEU HB2 1.0 1.997 5.677 3198 2355 A 67 THR HG2% A 66 PRO HD2 1.0 1.989 6.591 3199 2356 A 26 THR HB A 26 THR HG2% 1.0 1.496 2.488 3200 2357 A 39 ARG HA A 40 ARG HG2 1.0 1.997 6.285 3201 2358 A 73 TYR HA A 73 TYR HB2 1.0 1.730 3.330 3202 2359 A 15 THR HA A 39 ARG HG2 1.0 1.969 5.031 3203 2360 A 14 LEU HB2 A 15 THR HA 1.0 1.997 6.351 3204 2361 A 14 LEU HB3 A 15 THR HA 1.0 1.992 6.502 3205 2362 A 90 PRO HB2 A 89 ARG HA 1.0 1.999 5.879 3206 2363 A 89 ARG HA A 61 ARG HB3 1.0 2.000 6.060 3207 2364 A 90 PRO HB3 A 89 ARG HA 1.0 2.000 5.890 3208 2365 A 85 TYR HA A 66 PRO HB3 1.0 1.991 6.531 3209 2366 A 85 TYR HA A 86 ARG HG2 1.0 1.956 4.856 3210 2367 A 86 ARG HA A 82 CYS HB2 1.0 1.985 5.317 3211 2368 A 40 ARG HD2 A 40 ARG HA 1.0 1.991 5.485 3212 2369 A 79 ASN HB3 A 80 ASP HA 1.0 1.996 6.364 3213 2370 A 64 CYS HB2 A 63 TRP HA 1.0 0.000 6.000 3214 2371 A 61 ARG HA A 60 ASN HB3 1.0 1.999 5.913 3215 2372 A 38 ILE HA A 39 ARG HD2 1.0 1.990 5.436 3216 2373 A 38 ILE HA A 39 ARG HD3 1.0 1.984 6.730 3217 2374 A 51 ASP HA A 52 HIS HB3 1.0 1.965 4.977 3218 2375 A 21 PHE HA A 22 ALA HA 1.0 1.993 6.459 3219 2376 A 66 PRO HA A 66 PRO HD2 1.0 1.994 5.548 3220 2377 A 25 VAL HA A 26 THR HA 1.0 2.000 5.932 3221 2378 A 58 ALA HA A 59 ASN HB2 1.0 1.991 6.519 3222 2379 A 8 ILE HA A 7 PRO HB2 1.0 1.978 6.870 3223 2380 A 67 THR HA A 66 PRO HB2 1.0 1.984 6.720 3224 2381 A 47 ARG HG2 A 48 ILE HA 1.0 2.000 5.906 3225 2382 A 50 SER HB2 A 48 ILE HG2% 1.0 1.998 6.270 3226 2383 A 8 ILE HA A 36 TYR HB2 1.0 1.995 6.417 3227 2384 A 8 ILE HA A 28 TYR HB3 1.0 1.999 5.763 3228 2385 A 21 PHE HA A 40 ARG HD2 1.0 1.982 6.780 3229 2386 A 20 VAL HA A 19 PRO HB3 1.0 1.995 6.409 3230 2387 A 71 HIS HB3 A 72 GLU HB3 1.0 1.997 6.335 3231 2388 A 11 TYR HB3 A 14 LEU HB2 1.0 1.995 5.605 3232 2389 A 25 VAL HA A 24 LEU HB3 1.0 1.998 6.200 3233 2390 A 59 ASN HB3 A 61 ARG HG3 1.0 1.996 6.338 3234 2391 A 68 CYS HB3 A 68 CYS HB2 1.0 1.636 2.950 3235 2392 A 37 ASN HB3 A 37 ASN HB2 1.0 1.522 2.568 3236 2393 A 85 TYR HB2 A 82 CYS HB2 1.0 1.945 4.733 3237 2394 A 72 GLU HB3 A 88 CYS HB3 1.0 1.998 6.296 3238 2395 A 21 PHE HB3 A 24 LEU HB3 1.0 1.988 6.630 3239 2396 A 19 PRO HB3 A 18 ALA HB% 1.0 1.999 6.081 3240 2397 A 16 VAL HB A 40 ARG HG2 1.0 1.986 6.684 3241 2398 A 65 ARG HB2 A 66 PRO HB2 1.0 1.996 5.646 3242 2399 A 72 GLU HG2 A 72 GLU HB2 1.0 1.812 3.732 3243 2400 A 33 LEU HB2 A 32 ALA HB% 1.0 1.901 4.319 3244 2401 A 39 ARG HB3 A 39 ARG HG2 1.0 1.805 3.695 3245 2402 A 35 ARG HG3 A 35 ARG HB3 1.0 1.806 3.700 3246 2403 A 35 ARG HB2 A 35 ARG HG3 1.0 1.867 4.073 3247 2404 A 16 VAL HG2% A 40 ARG HG2 1.0 1.927 4.547 3248 2405 A 28 TYR HD2 A 7 PRO HA 1.0 1.998 5.786 3249 2405 A 28 TYR HD1 A 7 PRO HA 1.0 1.998 5.786 3250 2406 A 79 ASN H A 80 ASP HA 1.0 2.000 6.028 3251 2407 A 40 ARG H A 15 THR HA 1.0 1.995 6.433 3252 2408 A 55 HIS HD1 A 55 HIS H 1.0 1.982 6.774 3253 2409 A 63 TRP HE3 A 48 ILE H 1.0 1.978 6.870 3254 2410 A 50 SER H A 49 ARG HE 1.0 1.953 7.263 3255 2411 A 80 ASP H A 79 ASN HD21 1.0 1.972 6.984 3256 2412 A 45 TYR HE2 A 43 ASN H 1.0 1.972 6.980 3257 2412 A 45 TYR HE1 A 43 ASN H 1.0 1.972 6.980 3258 2413 A 52 HIS H A 85 TYR HE1 1.0 1.996 6.354 3259 2413 A 52 HIS H A 85 TYR HE2 1.0 1.996 6.354 3260 2414 A 76 TRP HA A 80 ASP H 1.0 1.992 6.518 3261 2415 A 84 SER H A 85 TYR HE1 1.0 1.978 6.848 3262 2415 A 84 SER H A 85 TYR HE2 1.0 1.978 6.848 3263 2416 A 85 TYR HD1 A 54 SER H 1.0 1.993 5.561 3264 2416 A 85 TYR HD2 A 54 SER H 1.0 1.993 5.561 3265 2417 A 28 TYR HE1 A 27 VAL H 1.0 1.982 5.250 3266 2417 A 28 TYR HE2 A 27 VAL H 1.0 1.982 5.250 3267 2418 A 12 ALA H A 14 LEU HB3 1.0 2.000 6.060 3268 2419 A 75 ASP H A 74 THR H 1.0 1.990 5.466 3269 2420 A 63 TRP H A 45 TYR HD2 1.0 0.000 6.000 3270 2420 A 63 TRP H A 45 TYR HD1 1.0 0.000 6.000 3271 2421 A 76 TRP HH2 A 79 ASN HD21 1.0 1.991 6.537 3272 2422 A 23 ALA H A 20 VAL H 1.0 1.949 4.771 3273 2423 A 63 TRP HE3 A 55 HIS H 1.0 1.999 5.879 3274 2424 A 55 HIS HD2 A 54 SER H 1.0 0.000 6.000 3275 2425 A 63 TRP HA A 56 SER H 1.0 1.983 5.277 3276 2426 A 3 GLN H A 23 ALA HA 1.0 1.978 5.188 3277 2427 A 39 ARG H A 15 THR HB 1.0 1.992 5.490 3278 2428 A 69 PHE H A 88 CYS HB2 1.0 1.988 5.398 3279 2429 A 60 ASN HD22 A 63 TRP HB2 1.0 0.000 6.000 3280 2430 A 23 ALA H A 19 PRO HB3 1.0 2.000 6.076 3281 2431 A 11 TYR HD1 A 16 VAL HG1% 1.0 1.601 2.825 3282 2431 A 11 TYR HD2 A 16 VAL HG1% 1.0 1.601 2.825 3283 2432 A 20 VAL H A 16 VAL HG2% 1.0 1.943 4.705 3284 2433 A 66 PRO HD3 A 85 TYR HE1 1.0 1.799 3.665 3285 2433 A 66 PRO HD3 A 85 TYR HE2 1.0 1.799 3.665 3286 2434 A 85 TYR HD1 A 53 ASP HB2 1.0 0.000 6.000 3287 2434 A 85 TYR HD2 A 53 ASP HB2 1.0 0.000 6.000 3288 2435 A 51 ASP HB2 A 85 TYR HE1 1.0 2.000 6.002 3289 2435 A 51 ASP HB2 A 85 TYR HE2 1.0 2.000 6.002 3290 2436 A 21 PHE HE1 A 22 ALA HA 1.0 0.000 6.000 3291 2436 A 21 PHE HE2 A 22 ALA HA 1.0 0.000 6.000 3292 2437 A 57 CYS HA A 57 CYS HB3 1.0 1.747 3.411 3293 2438 A 69 PHE HB2 A 69 PHE HA 1.0 1.783 3.581 3294 2439 A 36 TYR HA A 12 ALA HA 1.0 1.990 5.424 3295 2440 A 58 ALA HA A 78 ASN HB2 1.0 1.999 5.857 3296 2441 A 45 TYR HB2 A 45 TYR HA 1.0 1.707 3.235 3297 2442 A 51 ASP HA A 51 ASP HB3 1.0 1.739 3.369 3298 2443 A 85 TYR HA A 85 TYR HB2 1.0 1.869 4.087 3299 2444 A 36 TYR HA A 36 TYR HB2 1.0 1.796 3.650 3300 2445 A 69 PHE HB3 A 17 SER HB2 1.0 0.000 6.000 3301 2446 A 24 LEU HA A 28 TYR HB3 1.0 1.992 5.500 3302 2447 A 58 ALA HA A 57 CYS HB2 1.0 1.964 4.964 3303 2448 A 69 PHE HB2 A 69 PHE HB3 1.0 1.683 3.135 3304 2449 A 21 PHE HB2 A 21 PHE HB3 1.0 1.609 2.855 3305 2450 A 47 ARG HB3 A 47 ARG HA 1.0 1.792 3.628 3306 2451 A 88 CYS HA A 72 GLU HB2 1.0 1.999 6.073 3307 2452 A 12 ALA HA A 14 LEU HG 1.0 0.000 6.000 3308 2453 A 72 GLU HB3 A 88 CYS HB2 1.0 1.998 5.760 3309 2454 A 90 PRO HG3 A 46 GLN HB3 1.0 1.778 3.556 3310 2455 A 32 ALA HB% A 28 TYR HB3 1.0 1.710 3.246 3311 2456 A 11 TYR HB2 A 38 ILE HG12 1.0 1.980 5.202 3312 2457 A 68 CYS HB3 A 67 THR HG2% 1.0 1.984 5.284 3313 2458 A 20 VAL HA A 5 LEU HB3 1.0 1.998 6.226 3314 2459 A 40 ARG HB3 A 40 ARG HD3 1.0 1.961 4.927 3315 2460 A 38 ILE HD1% A 36 TYR HA 1.0 1.973 5.091 3316 2461 A 41 ARG HA A 42 GLU HB2 1.0 1.960 4.914 3317 2462 A 60 ASN HB2 A 60 ASN HA 1.0 1.720 3.286 3318 2463 A 76 TRP HA A 76 TRP HB3 1.0 1.777 3.553 3319 2464 A 55 HIS HA A 55 HIS HB2 1.0 1.780 3.570 3320 2465 A 17 SER HA A 17 SER HB2 1.0 1.641 2.969 3321 2466 A 71 HIS HA A 71 HIS HB3 1.0 1.729 3.325 3322 2467 A 57 CYS HA A 57 CYS HB2 1.0 1.748 3.412 3323 2468 A 1 PCA HA A 1 PCA HB2 1.0 1.851 3.967 3324 2469 A 2 ALA HA A 20 VAL HB 1.0 1.983 5.281 3325 2470 A 62 GLY HA2 A 46 GLN HB2 1.0 1.848 3.946 3326 2471 A 78 ASN H A 74 THR HG2% 1.0 1.995 6.413 3327 2472 A 21 PHE H A 33 LEU HD1% 1.0 1.992 6.538 3328 2473 A 10 SER H A 6 LEU HB2 1.0 1.959 4.905 3329 2474 A 69 PHE H A 65 ARG HB3 1.0 1.998 6.240 3330 2475 A 65 ARG HE A 65 ARG HB3 1.0 1.967 4.999 3331 2476 A 9 ALA H A 7 PRO HG2 1.0 1.999 5.875 3332 2477 A 78 ASN H A 75 ASP HB2 1.0 1.998 6.192 3333 2478 A 43 ASN HD22 A 42 GLU HB3 1.0 2.000 6.068 3334 2479 A 23 ALA H A 20 VAL HB 1.0 1.998 6.270 3335 2480 A 33 LEU H A 28 TYR HB3 1.0 1.999 5.839 3336 2481 A 81 VAL H A 82 CYS HB2 1.0 2.000 5.908 3337 2482 A 69 PHE HZ A 69 PHE HB3 1.0 2.000 6.032 3338 2483 A 50 SER H A 63 TRP HB3 1.0 2.000 6.012 3339 2484 A 16 VAL H A 21 PHE HB3 1.0 1.993 5.541 3340 2485 A 16 VAL HA A 41 ARG H 1.0 1.982 5.244 3341 2486 A 87 CYS H A 86 ARG HE 1.0 1.995 6.435 3342 2487 A 89 ARG H A 89 ARG HE 1.0 2.000 6.030 3343 2488 A 63 TRP HE1 A 63 TRP HD1 1.0 1.594 2.802 3344 2489 A 14 LEU H A 37 ASN HD22 1.0 1.994 6.448 3345 2490 A 39 ARG H A 39 ARG HE 1.0 1.997 6.287 3346 2491 A 73 TYR H A 89 ARG HA 1.0 1.980 6.810 3347 2492 A 57 CYS H A 61 ARG HB2 1.0 1.987 6.659 3348 2493 A 13 GLY HA2 A 13 GLY H 1.0 1.664 3.058 3349 2494 A 72 GLU H A 48 ILE HD1% 1.0 1.993 6.457 3350 2495 A 26 THR H A 24 LEU HB2 1.0 1.999 6.191 3351 2496 A 13 GLY H A 14 LEU HD2% 1.0 1.990 6.566 3352 2497 A 24 LEU HB2 A 29 GLY H 1.0 1.989 6.623 3353 2498 A 39 ARG H A 40 ARG HB3 1.0 1.973 6.971 3354 2499 A 71 HIS HD2 A 72 GLU HG2 1.0 1.998 5.728 3355 2500 A 45 TYR HE2 A 42 GLU HB3 1.0 1.965 4.989 3356 2500 A 45 TYR HE1 A 42 GLU HB3 1.0 1.965 4.989 3357 2501 A 73 TYR HD1 A 72 GLU HB3 1.0 1.998 5.808 3358 2501 A 73 TYR HD2 A 72 GLU HB3 1.0 1.998 5.808 3359 2502 A 61 ARG HE A 59 ASN HB3 1.0 1.954 4.836 3360 2503 A 73 TYR HE2 A 74 THR HB 1.0 1.991 6.543 3361 2503 A 73 TYR HE1 A 74 THR HB 1.0 1.991 6.543 3362 2504 A 47 ARG HA A 47 ARG HE 1.0 1.999 5.869 3363 2505 A 51 ASP HB2 A 50 SER HA 1.0 1.990 5.448 3364 2506 A 38 ILE HG2% A 38 ILE HD1% 1.0 1.781 3.573 3365 2507 A 38 ILE HD1% A 33 LEU HG 1.0 1.817 3.761 3366 2508 A 30 ALA HB% A 25 VAL HG1% 1.0 1.540 2.622 3367 2509 A 15 THR HG2% A 39 ARG HG3 1.0 1.772 3.530 3368 2510 A 72 GLU HB3 A 69 PHE HB3 1.0 2.000 6.042 3369 2511 A 85 TYR HB3 A 82 CYS HB2 1.0 1.979 5.199 3370 2512 A 74 THR HA A 87 CYS HB3 1.0 1.972 5.082 3371 2513 A 82 CYS HA A 83 GLY HA3 1.0 1.999 5.947 3372 2514 A 20 VAL HB A 17 SER HA 1.0 1.986 6.678 3373 2515 A 11 TYR HA A 14 LEU HG 1.0 1.914 4.434 3374 2516 A 6 LEU HG A 49 ARG HA 1.0 1.994 5.570 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 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 A 63 TRP H A 88 CYS O 1.0 1.730 2.700 2 2 A 88 CYS H A 63 TRP O 1.0 1.730 2.700 3 3 A 65 ARG H A 86 ARG O 1.0 1.730 2.700 4 4 A 86 ARG H A 65 ARG O 1.0 1.730 2.700 5 5 A 91 GLY H A 71 HIS O 1.0 1.730 2.700 6 6 A 71 HIS H A 91 GLY O 1.0 1.730 2.700 7 7 A 73 TYR H A 89 ARG O 1.0 1.730 2.700 8 8 A 89 ARG H A 73 TYR O 1.0 1.730 2.700 9 9 A 75 ASP H A 87 CYS O 1.0 1.730 2.700 10 10 A 87 CYS H A 75 ASP O 1.0 1.730 2.700 11 11 A 21 PHE H A 17 SER O 1.0 1.730 2.700 12 12 A 22 ALA H A 18 ALA O 1.0 1.730 2.700 13 13 A 23 ALA H A 19 PRO O 1.0 1.730 2.700 14 14 A 24 LEU H A 20 VAL O 1.0 1.730 2.700 15 15 A 25 VAL H A 21 PHE O 1.0 1.730 2.700 16 16 A 26 THR H A 22 ALA O 1.0 1.730 2.700 17 17 A 27 VAL H A 23 ALA O 1.0 1.730 2.700 18 18 A 28 TYR H A 24 LEU O 1.0 1.730 2.700 19 19 A 29 GLY H A 25 VAL O 1.0 1.730 2.700 20 20 A 32 ALA H A 28 TYR O 1.0 1.730 2.700 21 21 A 33 LEU H A 29 GLY O 1.0 1.730 2.700 22 22 A 34 TYR H A 30 ALA O 1.0 1.730 2.700 23 23 A 35 ARG H A 31 TYR O 1.0 1.730 2.700 24 24 A 36 TYR H A 32 ALA O 1.0 1.730 2.700 25 25 A 23 ALA O A 27 VAL N 1.0 2.516 3.927 26 26 A 31 TYR O A 35 ARG N 1.0 2.516 3.927 27 27 A 71 HIS O A 91 GLY N 1.0 2.516 3.927 28 28 A 87 CYS O A 75 ASP N 1.0 2.516 3.927 29 29 A 17 SER O A 21 PHE N 1.0 2.516 3.927 30 30 A 24 LEU O A 28 TYR N 1.0 2.516 3.927 31 31 A 75 ASP O A 87 CYS N 1.0 2.516 3.927 32 32 A 65 ARG O A 86 ARG N 1.0 2.516 3.927 33 33 A 19 PRO O A 23 ALA N 1.0 2.516 3.927 34 34 A 28 TYR O A 32 ALA N 1.0 2.516 3.927 35 35 A 73 TYR O A 89 ARG N 1.0 2.516 3.927 36 36 A 32 ALA O A 36 TYR N 1.0 2.516 3.927 37 37 A 89 ARG O A 73 TYR N 1.0 2.516 3.927 38 38 A 63 TRP O A 88 CYS N 1.0 2.516 3.927 39 39 A 18 ALA O A 22 ALA N 1.0 2.516 3.927 40 40 A 21 PHE O A 25 VAL N 1.0 2.516 3.927 41 41 A 88 CYS O A 63 TRP N 1.0 2.516 3.927 42 42 A 29 GLY O A 33 LEU N 1.0 2.516 3.927 43 43 A 20 VAL O A 24 LEU N 1.0 2.516 3.927 44 44 A 22 ALA O A 26 THR N 1.0 2.516 3.927 45 45 A 91 GLY O A 71 HIS N 1.0 2.516 3.927 46 46 A 86 ARG O A 65 ARG N 1.0 2.516 3.927 47 47 A 30 ALA O A 34 TYR N 1.0 2.516 3.927 48 48 A 25 VAL O A 29 GLY N 1.0 2.516 3.927 49 49 A 80 ASP H A 76 TRP O 1.0 1.730 2.700 50 50 A 76 TRP O A 80 ASP N 1.0 2.516 3.927 51 51 A 81 VAL H A 77 PHE O 1.0 1.730 2.700 52 52 A 77 PHE O A 81 VAL N 1.0 2.516 3.927 53 53 A 82 CYS H A 78 ASN O 1.0 1.730 2.700 54 54 A 78 ASN O A 82 CYS N 1.0 2.516 3.927 55 55 A 14 LEU H A 37 ASN O 1.0 1.730 2.700 56 56 A 37 ASN O A 14 LEU N 1.0 2.516 3.927 57 57 A 39 ARG H A 14 LEU O 1.0 1.730 2.700 58 58 A 14 LEU O A 39 ARG N 1.0 2.516 3.927 59 59 A 16 VAL H A 39 ARG O 1.0 1.730 2.700 60 60 A 39 ARG O A 16 VAL N 1.0 2.516 3.927 61 61 A 41 ARG H A 16 VAL O 1.0 1.730 2.700 62 62 A 16 VAL O A 41 ARG N 1.0 2.516 3.927 63 63 A 62 GLY H A 57 CYS O 1.0 1.730 2.700 64 64 A 57 CYS O A 62 GLY N 1.0 2.516 3.927 stop_ save_