data_nef_c15670_2k16 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 15671 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 21 CYS SG 2 2 ZN ZN 1 24 CYS SG 2 2 ZN ZN 1 36 CYS SG 2 1 ZN ZN 1 39 CYS SG 2 1 ZN ZN 1 44 HIS ND1 2 2 ZN ZN 1 47 CYS SG 2 2 ZN ZN 1 62 CYS SG 2 1 ZN ZN 1 65 CYS SG 2 1 ZN ZN 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 850 GLY start . false 2 A 851 SER middle . . 3 A 852 HIS middle . . 4 A 853 MET middle . . 5 A 854 ALA middle . . 6 A 855 MET middle . . 7 A 856 ALA middle . . 8 A 857 TYR middle . . 9 A 858 VAL middle . . 10 A 859 ILE middle . . 11 A 860 ARG middle . . 12 A 861 ASP middle . . 13 A 862 GLU middle . . 14 A 863 TRP middle . . 15 A 864 GLY middle . false 16 A 865 ASN middle . . 17 A 866 GLN middle . . 18 A 867 ILE middle . . 19 A 868 TRP middle . . 20 A 869 ILE middle . . 21 A 870 CYS middle -HG . 22 A 871 PRO middle . false 23 A 872 GLY middle . false 24 A 873 CYS middle -HG . 25 A 874 ASN middle . . 26 A 875 LYS middle . . 27 A 876 PRO middle . false 28 A 877 ASP middle . . 29 A 878 ASP middle . . 30 A 879 GLY middle . false 31 A 880 SER middle . . 32 A 881 PRO middle . false 33 A 882 MET middle . . 34 A 883 ILE middle . . 35 A 884 GLY middle . false 36 A 885 CYS middle -HG . 37 A 886 ASP middle . . 38 A 887 ASP middle . . 39 A 888 CYS middle -HG . 40 A 889 ASP middle . . 41 A 890 ASP middle . . 42 A 891 TRP middle . . 43 A 892 TYR middle . . 44 A 893 HIS middle -HD1 . 45 A 894 TRP middle . . 46 A 895 PRO middle . false 47 A 896 CYS middle -HG . 48 A 897 VAL middle . . 49 A 898 GLY middle . false 50 A 899 ILE middle . . 51 A 900 MET middle . . 52 A 901 ALA middle . . 53 A 902 ALA middle . . 54 A 903 PRO middle . false 55 A 904 PRO middle . false 56 A 905 GLU middle . . 57 A 906 GLU middle . . 58 A 907 MET middle . . 59 A 908 GLN middle . . 60 A 909 TRP middle . . 61 A 910 PHE middle . . 62 A 911 CYS middle -HG . 63 A 912 PRO middle . false 64 A 913 LYS middle . . 65 A 914 CYS middle -HG . 66 A 915 ALA middle . . 67 A 916 ASN middle . . 68 A 917 LYS middle . . 69 A 918 ILE middle . . 70 A 919 LYS middle . . 71 A 920 LYS middle . . 72 A 921 ASP middle . . 73 A 922 LYS middle . . 74 A 923 LYS middle . . 75 A 924 HIS end . . 76 B 1 ZN . . . 77 B 2 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 850 GLY HAx H 1 3.895 0.001 A 850 GLY HAy H 1 3.895 0.001 A 850 GLY CA C 13 43.705 0.000 A 851 SER HA H 1 4.563 0.001 A 851 SER HBx H 1 3.866 0.002 A 851 SER HBy H 1 3.866 0.002 A 851 SER CA C 13 58.435 0.000 A 851 SER CB C 13 64.144 0.029 A 852 HIS HA H 1 4.692 0.002 A 852 HIS HBx H 1 3.119 0.002 A 852 HIS HBy H 1 3.179 0.004 A 852 HIS HD2 H 1 7.069 0.000 A 852 HIS HE1 H 1 8.009 0.000 A 852 HIS CA C 13 56.356 0.071 A 852 HIS CB C 13 30.519 0.000 A 852 HIS CD2 C 13 119.963 0.000 A 852 HIS CE1 C 13 138.020 0.000 A 853 MET H H 1 8.378 0.000 A 853 MET HA H 1 4.433 0.002 A 853 MET HBx H 1 2.061 0.000 A 853 MET HBy H 1 2.061 0.000 A 853 MET HGx H 1 1.961 0.004 A 853 MET HGy H 1 1.961 0.004 A 854 ALA H H 1 8.386 0.003 A 854 ALA HA H 1 4.321 0.002 A 854 ALA HB% H 1 1.413 0.002 A 854 ALA CA C 13 52.703 0.022 A 854 ALA CB C 13 19.235 0.009 A 854 ALA N N 15 125.438 0.007 A 855 MET H H 1 8.304 0.002 A 855 MET HA H 1 4.423 0.005 A 855 MET HBy H 1 2.025 0.002 A 855 MET HBx H 1 1.954 0.003 A 855 MET HGx H 1 2.497 0.000 A 855 MET HGy H 1 2.522 0.007 A 855 MET CA C 13 55.453 0.052 A 855 MET CB C 13 32.959 0.017 A 855 MET CG C 13 32.407 0.000 A 855 MET N N 15 119.523 0.031 A 856 ALA H H 1 8.174 0.003 A 856 ALA HA H 1 4.284 0.002 A 856 ALA HB% H 1 1.332 0.002 A 856 ALA CA C 13 52.736 0.032 A 856 ALA CB C 13 19.590 0.017 A 856 ALA N N 15 124.393 0.017 A 857 TYR H H 1 8.311 0.002 A 857 TYR HA H 1 4.576 0.003 A 857 TYR HBx H 1 2.899 0.003 A 857 TYR HBy H 1 3.353 0.008 A 857 TYR HDx H 1 7.061 0.003 A 857 TYR HDy H 1 7.061 0.003 A 857 TYR HEx H 1 6.830 0.004 A 857 TYR HEy H 1 6.830 0.004 A 857 TYR CA C 13 57.850 0.000 A 857 TYR CB C 13 38.050 0.025 A 857 TYR CDx C 13 133.261 0.044 A 857 TYR CEx C 13 118.225 0.002 A 857 TYR N N 15 119.354 0.031 A 858 VAL H H 1 7.640 0.003 A 858 VAL HA H 1 4.355 0.007 A 858 VAL HB H 1 1.941 0.004 A 858 VAL HGx% H 1 0.767 0.002 A 858 VAL HGy% H 1 0.749 0.002 A 858 VAL CA C 13 61.607 0.028 A 858 VAL CB C 13 33.950 0.018 A 858 VAL CGx C 13 20.916 0.069 A 858 VAL CGy C 13 20.962 0.071 A 858 VAL N N 15 120.468 0.020 A 859 ILE H H 1 8.504 0.007 A 859 ILE HA H 1 4.249 0.004 A 859 ILE HB H 1 1.822 0.002 A 859 ILE HD1% H 1 0.831 0.004 A 859 ILE HG1y H 1 1.431 0.003 A 859 ILE HG1x H 1 1.102 0.004 A 859 ILE HG2% H 1 0.849 0.003 A 859 ILE CA C 13 60.718 0.021 A 859 ILE CB C 13 39.609 0.045 A 859 ILE CD1 C 13 13.171 0.057 A 859 ILE CG1 C 13 27.280 0.041 A 859 ILE CG2 C 13 17.669 0.019 A 859 ILE N N 15 124.941 0.023 A 860 ARG H H 1 8.227 0.001 A 860 ARG HA H 1 4.964 0.006 A 860 ARG HBx H 1 1.590 0.002 A 860 ARG HBy H 1 1.590 0.002 A 860 ARG HDx H 1 3.012 0.002 A 860 ARG HDy H 1 3.012 0.002 A 860 ARG HGy H 1 1.453 0.003 A 860 ARG HGx H 1 1.370 0.006 A 860 ARG CA C 13 54.539 0.000 A 860 ARG CB C 13 32.782 0.015 A 860 ARG CD C 13 43.278 0.007 A 860 ARG CG C 13 27.716 0.022 A 860 ARG N N 15 123.643 0.011 A 861 ASP H H 1 8.452 0.003 A 861 ASP HA H 1 4.584 0.002 A 861 ASP HBx H 1 2.685 0.003 A 861 ASP HBy H 1 3.164 0.003 A 861 ASP CA C 13 53.070 0.019 A 861 ASP CB C 13 41.459 0.051 A 861 ASP N N 15 122.054 0.034 A 862 GLU H H 1 8.793 0.001 A 862 GLU HA H 1 3.967 0.002 A 862 GLU HBy H 1 1.561 0.003 A 862 GLU HBx H 1 1.473 0.002 A 862 GLU HGx H 1 1.357 0.003 A 862 GLU HGy H 1 1.357 0.003 A 862 GLU CA C 13 57.936 0.035 A 862 GLU CB C 13 28.938 0.035 A 862 GLU CG C 13 35.102 0.023 A 862 GLU N N 15 118.062 0.009 A 863 TRP H H 1 7.985 0.002 A 863 TRP HA H 1 4.712 0.003 A 863 TRP HBx H 1 3.168 0.003 A 863 TRP HBy H 1 3.503 0.002 A 863 TRP HD1 H 1 7.231 0.004 A 863 TRP HE1 H 1 10.015 0.003 A 863 TRP HE3 H 1 7.641 0.002 A 863 TRP HH2 H 1 7.188 0.005 A 863 TRP HZ2 H 1 7.432 0.004 A 863 TRP HZ3 H 1 7.139 0.003 A 863 TRP CA C 13 57.056 0.024 A 863 TRP CB C 13 29.179 0.038 A 863 TRP CD1 C 13 127.077 0.095 A 863 TRP CE3 C 13 120.769 0.001 A 863 TRP CH2 C 13 124.738 0.011 A 863 TRP CZ2 C 13 114.865 0.015 A 863 TRP CZ3 C 13 122.204 0.000 A 863 TRP N N 15 120.618 0.020 A 863 TRP NE1 N 15 129.147 0.009 A 864 GLY H H 1 8.096 0.002 A 864 GLY HAy H 1 4.220 0.002 A 864 GLY HAx H 1 3.652 0.002 A 864 GLY CA C 13 45.396 0.010 A 864 GLY N N 15 108.151 0.012 A 865 ASN H H 1 8.693 0.002 A 865 ASN HA H 1 4.684 0.002 A 865 ASN HBy H 1 2.909 0.003 A 865 ASN HBx H 1 2.651 0.003 A 865 ASN HD2x H 1 7.161 0.002 A 865 ASN HD2y H 1 8.583 0.004 A 865 ASN CA C 13 53.250 0.037 A 865 ASN CB C 13 38.791 0.037 A 865 ASN N N 15 120.811 0.015 A 865 ASN ND2 N 15 117.661 0.037 A 866 GLN H H 1 8.574 0.002 A 866 GLN HA H 1 4.412 0.003 A 866 GLN HBx H 1 1.637 0.003 A 866 GLN HBy H 1 1.718 0.002 A 866 GLN HE2x H 1 6.835 0.002 A 866 GLN HE2y H 1 7.255 0.001 A 866 GLN HGy H 1 2.126 0.005 A 866 GLN HGx H 1 1.850 0.003 A 866 GLN CA C 13 55.989 0.011 A 866 GLN CB C 13 29.549 0.044 A 866 GLN CG C 13 34.121 0.042 A 866 GLN N N 15 121.338 0.026 A 866 GLN NE2 N 15 111.881 0.025 A 867 ILE H H 1 8.342 0.005 A 867 ILE HA H 1 4.213 0.003 A 867 ILE HB H 1 1.706 0.004 A 867 ILE HD1% H 1 0.787 0.005 A 867 ILE HG1y H 1 1.344 0.004 A 867 ILE HG1x H 1 1.029 0.003 A 867 ILE HG2% H 1 0.910 0.003 A 867 ILE CA C 13 60.038 0.032 A 867 ILE CB C 13 40.045 0.031 A 867 ILE CD1 C 13 13.317 0.016 A 867 ILE CG1 C 13 27.014 0.030 A 867 ILE CG2 C 13 17.782 0.044 A 867 ILE N N 15 124.393 0.030 A 868 TRP H H 1 8.295 0.003 A 868 TRP HA H 1 4.797 0.006 A 868 TRP HBx H 1 2.914 0.003 A 868 TRP HBy H 1 3.233 0.005 A 868 TRP HD1 H 1 6.998 0.004 A 868 TRP HE1 H 1 9.422 0.004 A 868 TRP HE3 H 1 7.575 0.005 A 868 TRP HH2 H 1 6.795 0.004 A 868 TRP HZ2 H 1 7.094 0.004 A 868 TRP HZ3 H 1 6.816 0.003 A 868 TRP CA C 13 57.586 0.000 A 868 TRP CB C 13 30.728 0.061 A 868 TRP CD1 C 13 127.072 0.012 A 868 TRP CE3 C 13 121.319 0.000 A 868 TRP CH2 C 13 123.804 0.040 A 868 TRP CZ2 C 13 113.950 0.025 A 868 TRP CZ3 C 13 121.320 0.000 A 868 TRP N N 15 126.039 0.014 A 868 TRP NE1 N 15 128.518 0.003 A 869 ILE H H 1 8.144 0.003 A 869 ILE HA H 1 3.996 0.004 A 869 ILE HB H 1 1.670 0.004 A 869 ILE HD1% H 1 0.651 0.003 A 869 ILE HG1y H 1 1.354 0.002 A 869 ILE HG1x H 1 1.057 0.003 A 869 ILE HG2% H 1 0.557 0.003 A 869 ILE CA C 13 58.838 0.011 A 869 ILE CB C 13 38.780 0.037 A 869 ILE CD1 C 13 11.521 0.018 A 869 ILE CG1 C 13 26.861 0.018 A 869 ILE CG2 C 13 17.150 0.026 A 869 ILE N N 15 121.513 0.011 A 870 CYS H H 1 7.899 0.002 A 870 CYS HA H 1 5.146 0.003 A 870 CYS HBx H 1 2.115 0.004 A 870 CYS HBy H 1 3.582 0.003 A 870 CYS CA C 13 55.850 0.000 A 870 CYS CB C 13 32.628 0.037 A 870 CYS N N 15 131.302 0.019 A 871 PRO HA H 1 4.337 0.003 A 871 PRO HBy H 1 2.215 0.003 A 871 PRO HBx H 1 1.768 0.004 A 871 PRO HDx H 1 1.718 0.008 A 871 PRO HDy H 1 4.399 0.004 A 871 PRO HGx H 1 1.440 0.007 A 871 PRO HGy H 1 1.542 0.002 A 871 PRO CA C 13 63.205 0.040 A 871 PRO CB C 13 31.958 0.029 A 871 PRO CD C 13 50.959 0.033 A 871 PRO CG C 13 27.820 0.026 A 872 GLY H H 1 8.863 0.002 A 872 GLY HAy H 1 4.262 0.002 A 872 GLY HAx H 1 3.895 0.002 A 872 GLY CA C 13 46.313 0.041 A 872 GLY N N 15 108.266 0.014 A 873 CYS H H 1 7.693 0.003 A 873 CYS HA H 1 5.053 0.002 A 873 CYS HBx H 1 3.178 0.003 A 873 CYS HBy H 1 3.247 0.002 A 873 CYS CA C 13 57.484 0.000 A 873 CYS CB C 13 32.338 0.036 A 873 CYS N N 15 116.976 0.035 A 874 ASN H H 1 8.905 0.002 A 874 ASN HA H 1 4.409 0.002 A 874 ASN HBx H 1 2.877 0.004 A 874 ASN HBy H 1 3.141 0.005 A 874 ASN HD2x H 1 6.758 0.002 A 874 ASN HD2y H 1 7.476 0.002 A 874 ASN CA C 13 55.309 0.024 A 874 ASN CB C 13 37.960 0.007 A 874 ASN N N 15 120.564 0.029 A 874 ASN ND2 N 15 112.116 0.037 A 875 LYS H H 1 8.486 0.002 A 875 LYS HA H 1 4.995 0.003 A 875 LYS HBy H 1 2.385 0.004 A 875 LYS HBx H 1 2.099 0.003 A 875 LYS HDx H 1 1.741 0.005 A 875 LYS HDy H 1 1.741 0.005 A 875 LYS HEx H 1 3.064 0.003 A 875 LYS HEy H 1 3.064 0.003 A 875 LYS HGx H 1 1.471 0.004 A 875 LYS HGy H 1 1.649 0.004 A 875 LYS CA C 13 54.075 0.000 A 875 LYS CB C 13 33.194 0.069 A 875 LYS CD C 13 29.001 0.057 A 875 LYS CE C 13 42.380 0.022 A 875 LYS CG C 13 25.052 0.039 A 875 LYS N N 15 119.459 0.036 A 876 PRO HA H 1 5.131 0.004 A 876 PRO HBy H 1 2.163 0.002 A 876 PRO HBx H 1 2.112 0.003 A 876 PRO HDy H 1 3.770 0.004 A 876 PRO HDx H 1 3.732 0.006 A 876 PRO HGx H 1 1.923 0.003 A 876 PRO HGy H 1 1.976 0.000 A 876 PRO CA C 13 61.993 0.016 A 876 PRO CB C 13 33.632 0.053 A 876 PRO CD C 13 50.711 0.030 A 876 PRO CG C 13 27.052 0.019 A 877 ASP H H 1 8.298 0.006 A 877 ASP HA H 1 4.626 0.001 A 877 ASP HBx H 1 2.844 0.003 A 877 ASP HBy H 1 2.844 0.003 A 877 ASP CA C 13 55.416 0.072 A 877 ASP CB C 13 42.502 0.008 A 877 ASP N N 15 120.207 0.025 A 878 ASP H H 1 9.343 0.003 A 878 ASP HA H 1 4.800 0.004 A 878 ASP HBy H 1 3.099 0.004 A 878 ASP HBx H 1 2.628 0.002 A 878 ASP CA C 13 52.727 0.000 A 878 ASP CB C 13 41.327 0.040 A 878 ASP N N 15 128.639 0.017 A 879 GLY H H 1 8.782 0.003 A 879 GLY HAy H 1 4.387 0.002 A 879 GLY HAx H 1 3.708 0.002 A 879 GLY CA C 13 45.273 0.053 A 879 GLY N N 15 110.555 0.016 A 880 SER H H 1 8.363 0.002 A 880 SER HA H 1 4.626 0.002 A 880 SER HBx H 1 3.929 0.003 A 880 SER HBy H 1 4.039 0.002 A 880 SER CA C 13 57.886 0.017 A 880 SER CB C 13 61.763 0.020 A 880 SER N N 15 119.302 0.016 A 881 PRO HA H 1 3.912 0.003 A 881 PRO HBy H 1 0.816 0.002 A 881 PRO HBx H 1 -0.211 0.003 A 881 PRO HDy H 1 3.582 0.003 A 881 PRO HDx H 1 3.324 0.004 A 881 PRO HGx H 1 1.102 0.003 A 881 PRO HGy H 1 1.319 0.003 A 881 PRO CA C 13 64.883 0.028 A 881 PRO CB C 13 30.773 0.022 A 881 PRO CD C 13 50.187 0.029 A 881 PRO CG C 13 27.692 0.018 A 882 MET H H 1 8.125 0.004 A 882 MET HA H 1 5.373 0.005 A 882 MET HBy H 1 2.136 0.003 A 882 MET HBx H 1 1.960 0.005 A 882 MET HE% H 1 1.348 0.004 A 882 MET HGx H 1 2.028 0.002 A 882 MET HGy H 1 2.777 0.005 A 882 MET CA C 13 54.339 0.041 A 882 MET CB C 13 39.490 0.034 A 882 MET CE C 13 17.179 0.031 A 882 MET CG C 13 33.795 0.012 A 882 MET N N 15 120.117 0.008 A 883 ILE H H 1 9.555 0.003 A 883 ILE HA H 1 4.510 0.005 A 883 ILE HB H 1 1.241 0.003 A 883 ILE HD1% H 1 -0.036 0.003 A 883 ILE HG1y H 1 1.207 0.005 A 883 ILE HG1x H 1 0.410 0.002 A 883 ILE HG2% H 1 -0.206 0.002 A 883 ILE CA C 13 59.407 0.021 A 883 ILE CB C 13 43.067 0.013 A 883 ILE CD1 C 13 14.650 0.024 A 883 ILE CG1 C 13 28.803 0.026 A 883 ILE CG2 C 13 13.016 0.021 A 883 ILE N N 15 122.573 0.029 A 884 GLY H H 1 7.538 0.003 A 884 GLY HAy H 1 3.730 0.002 A 884 GLY HAx H 1 1.295 0.002 A 884 GLY CA C 13 42.560 0.031 A 884 GLY N N 15 115.864 0.032 A 885 CYS H H 1 8.418 0.003 A 885 CYS HA H 1 4.492 0.004 A 885 CYS HBy H 1 3.423 0.005 A 885 CYS HBx H 1 2.734 0.003 A 885 CYS CA C 13 60.173 0.044 A 885 CYS CB C 13 31.692 0.059 A 886 ASP H H 1 9.003 0.003 A 886 ASP HA H 1 4.668 0.003 A 886 ASP HBx H 1 2.104 0.003 A 886 ASP HBy H 1 2.566 0.003 A 886 ASP CA C 13 57.310 0.022 A 886 ASP CB C 13 41.929 0.017 A 886 ASP N N 15 128.670 0.012 A 887 ASP H H 1 9.607 0.004 A 887 ASP HA H 1 5.105 0.006 A 887 ASP HBx H 1 2.557 0.002 A 887 ASP HBy H 1 3.593 0.002 A 887 ASP CA C 13 55.829 0.036 A 887 ASP CB C 13 43.796 0.059 A 887 ASP N N 15 123.201 0.043 A 888 CYS H H 1 8.151 0.003 A 888 CYS HA H 1 4.769 0.005 A 888 CYS HBy H 1 3.256 0.003 A 888 CYS HBx H 1 2.720 0.002 A 888 CYS CA C 13 59.711 0.000 A 888 CYS CB C 13 31.861 0.018 A 888 CYS N N 15 119.601 0.026 A 889 ASP H H 1 7.840 0.005 A 889 ASP HA H 1 4.748 0.004 A 889 ASP HBy H 1 3.199 0.004 A 889 ASP HBx H 1 2.695 0.001 A 889 ASP CA C 13 55.714 0.000 A 889 ASP CB C 13 41.565 0.026 A 889 ASP N N 15 116.936 0.016 A 890 ASP H H 1 8.593 0.002 A 890 ASP HA H 1 5.019 0.005 A 890 ASP HBx H 1 2.526 0.003 A 890 ASP HBy H 1 3.043 0.004 A 890 ASP CA C 13 55.831 0.000 A 890 ASP CB C 13 42.921 0.055 A 890 ASP N N 15 121.152 0.019 A 891 TRP H H 1 8.851 0.001 A 891 TRP HA H 1 5.258 0.005 A 891 TRP HBy H 1 2.605 0.002 A 891 TRP HBx H 1 2.439 0.003 A 891 TRP HD1 H 1 6.658 0.013 A 891 TRP HE1 H 1 9.331 0.006 A 891 TRP HE3 H 1 6.884 0.004 A 891 TRP HH2 H 1 7.070 0.003 A 891 TRP HZ2 H 1 7.310 0.002 A 891 TRP HZ3 H 1 6.853 0.005 A 891 TRP CA C 13 56.602 0.055 A 891 TRP CB C 13 31.151 0.051 A 891 TRP CD1 C 13 127.311 0.005 A 891 TRP CE3 C 13 119.888 0.000 A 891 TRP CH2 C 13 123.296 0.017 A 891 TRP CZ2 C 13 113.902 0.019 A 891 TRP CZ3 C 13 120.848 0.000 A 891 TRP N N 15 121.451 0.015 A 891 TRP NE1 N 15 129.544 0.017 A 892 TYR H H 1 9.127 0.003 A 892 TYR HA H 1 5.704 0.005 A 892 TYR HBy H 1 2.945 0.003 A 892 TYR HBx H 1 2.636 0.003 A 892 TYR HDx H 1 7.099 0.004 A 892 TYR HDy H 1 7.099 0.004 A 892 TYR CA C 13 54.926 0.027 A 892 TYR CB C 13 43.649 0.031 A 892 TYR N N 15 116.073 0.016 A 893 HIS H H 1 8.920 0.004 A 893 HIS HA H 1 4.957 0.007 A 893 HIS HBy H 1 4.338 0.002 A 893 HIS HBx H 1 3.689 0.003 A 893 HIS HD2 H 1 7.555 0.005 A 893 HIS HE1 H 1 7.560 0.004 A 893 HIS HE2 H 1 10.705 0.003 A 893 HIS CA C 13 58.632 0.000 A 893 HIS CB C 13 31.391 0.016 A 893 HIS CD2 C 13 119.384 0.025 A 893 HIS CE1 C 13 139.815 0.054 A 893 HIS N N 15 119.657 0.018 A 894 TRP H H 1 8.369 0.002 A 894 TRP HA H 1 4.436 0.003 A 894 TRP HBy H 1 3.737 0.004 A 894 TRP HBx H 1 3.265 0.003 A 894 TRP HD1 H 1 6.376 0.003 A 894 TRP HE1 H 1 9.355 0.003 A 894 TRP HE3 H 1 7.318 0.006 A 894 TRP HH2 H 1 7.154 0.004 A 894 TRP HZ2 H 1 7.401 0.003 A 894 TRP HZ3 H 1 6.925 0.004 A 894 TRP CA C 13 60.928 0.077 A 894 TRP CB C 13 25.982 0.070 A 894 TRP CD1 C 13 120.323 0.058 A 894 TRP CE3 C 13 120.982 0.014 A 894 TRP CH2 C 13 124.775 0.059 A 894 TRP CZ2 C 13 113.788 0.019 A 894 TRP CZ3 C 13 120.914 0.099 A 894 TRP N N 15 122.237 0.024 A 894 TRP NE1 N 15 125.577 0.016 A 895 PRO HA H 1 4.518 0.003 A 895 PRO HBx H 1 2.075 0.003 A 895 PRO HBy H 1 2.447 0.003 A 895 PRO HDy H 1 4.254 0.003 A 895 PRO HDx H 1 4.061 0.003 A 895 PRO HGx H 1 2.138 0.004 A 895 PRO HGy H 1 2.212 0.005 A 895 PRO CA C 13 65.691 0.051 A 895 PRO CB C 13 30.724 0.060 A 895 PRO CD C 13 50.811 0.022 A 895 PRO CG C 13 28.420 0.048 A 896 CYS H H 1 7.362 0.002 A 896 CYS HA H 1 4.272 0.003 A 896 CYS HBy H 1 3.631 0.002 A 896 CYS HBx H 1 3.286 0.002 A 896 CYS CA C 13 62.939 0.019 A 896 CYS CB C 13 29.110 0.025 A 896 CYS N N 15 118.116 0.021 A 897 VAL H H 1 7.596 0.004 A 897 VAL HA H 1 4.695 0.002 A 897 VAL HB H 1 2.704 0.004 A 897 VAL HGx% H 1 0.670 0.004 A 897 VAL HGy% H 1 0.690 0.003 A 897 VAL CA C 13 60.124 0.067 A 897 VAL CB C 13 31.827 0.005 A 897 VAL CGy C 13 23.671 0.025 A 897 VAL CGx C 13 18.104 0.060 A 897 VAL N N 15 109.085 0.020 A 898 GLY H H 1 7.506 0.001 A 898 GLY HAy H 1 3.985 0.003 A 898 GLY HAx H 1 3.823 0.004 A 898 GLY CA C 13 46.915 0.028 A 898 GLY N N 15 108.979 0.024 A 899 ILE H H 1 7.819 0.003 A 899 ILE HA H 1 3.953 0.003 A 899 ILE HB H 1 1.247 0.003 A 899 ILE HD1% H 1 0.105 0.002 A 899 ILE HG1y H 1 0.885 0.004 A 899 ILE HG1x H 1 0.828 0.004 A 899 ILE HG2% H 1 -0.222 0.003 A 899 ILE CA C 13 60.512 0.025 A 899 ILE CB C 13 37.880 0.045 A 899 ILE CD1 C 13 11.728 0.046 A 899 ILE CG1 C 13 26.866 0.034 A 899 ILE CG2 C 13 16.475 0.043 A 899 ILE N N 15 120.835 0.018 A 900 MET H H 1 8.578 0.002 A 900 MET HA H 1 4.645 0.003 A 900 MET HBy H 1 2.180 0.003 A 900 MET HBx H 1 1.863 0.004 A 900 MET HGx H 1 2.441 0.003 A 900 MET HGy H 1 2.590 0.004 A 900 MET CA C 13 54.548 0.027 A 900 MET CB C 13 33.635 0.038 A 900 MET CG C 13 32.196 0.047 A 900 MET N N 15 123.270 0.009 A 901 ALA H H 1 7.196 0.003 A 901 ALA HA H 1 4.245 0.003 A 901 ALA HB% H 1 1.235 0.003 A 901 ALA CA C 13 50.800 0.040 A 901 ALA CB C 13 21.430 0.009 A 901 ALA N N 15 121.836 0.025 A 902 ALA H H 1 8.395 0.004 A 902 ALA HA H 1 3.874 0.003 A 902 ALA HB% H 1 1.418 0.002 A 902 ALA CA C 13 50.715 0.021 A 902 ALA CB C 13 17.668 0.012 A 902 ALA N N 15 123.786 0.009 A 903 PRO HA H 1 4.541 0.002 A 903 PRO HBx H 1 1.846 0.003 A 903 PRO HBy H 1 2.197 0.003 A 903 PRO HDx H 1 3.128 0.003 A 903 PRO HDy H 1 3.406 0.003 A 903 PRO HGx H 1 1.577 0.004 A 903 PRO HGy H 1 1.821 0.004 A 903 PRO CA C 13 61.091 0.041 A 903 PRO CB C 13 30.781 0.028 A 903 PRO CD C 13 50.538 0.036 A 903 PRO CG C 13 27.149 0.047 A 904 PRO HA H 1 4.420 0.002 A 904 PRO HBx H 1 1.899 0.002 A 904 PRO HBy H 1 2.409 0.002 A 904 PRO HDy H 1 3.781 0.002 A 904 PRO HDx H 1 3.616 0.002 A 904 PRO HGx H 1 2.047 0.003 A 904 PRO HGy H 1 2.047 0.003 A 904 PRO CA C 13 63.059 0.011 A 904 PRO CB C 13 32.236 0.018 A 904 PRO CD C 13 50.504 0.010 A 904 PRO CG C 13 27.810 0.055 A 905 GLU H H 1 8.695 0.002 A 905 GLU HA H 1 4.061 0.002 A 905 GLU HBx H 1 2.062 0.002 A 905 GLU HBy H 1 2.062 0.002 A 905 GLU HGx H 1 2.372 0.004 A 905 GLU HGy H 1 2.372 0.004 A 905 GLU CA C 13 58.728 0.009 A 905 GLU CB C 13 30.028 0.015 A 905 GLU CG C 13 36.489 0.027 A 905 GLU N N 15 122.668 0.041 A 906 GLU H H 1 8.901 0.001 A 906 GLU HA H 1 4.211 0.002 A 906 GLU HBx H 1 2.069 0.004 A 906 GLU HBy H 1 2.142 0.003 A 906 GLU HGy H 1 2.296 0.004 A 906 GLU HGx H 1 2.237 0.005 A 906 GLU CA C 13 57.136 0.007 A 906 GLU CB C 13 28.659 0.046 A 906 GLU CG C 13 36.332 0.030 A 906 GLU N N 15 115.798 0.025 A 907 MET H H 1 7.646 0.003 A 907 MET HA H 1 4.441 0.005 A 907 MET HBx H 1 1.976 0.003 A 907 MET HBy H 1 2.101 0.005 A 907 MET HGx H 1 2.548 0.003 A 907 MET HGy H 1 2.603 0.003 A 907 MET CA C 13 55.477 0.068 A 907 MET CB C 13 34.221 0.035 A 907 MET CG C 13 32.153 0.052 A 907 MET N N 15 120.772 0.028 A 908 GLN H H 1 8.431 0.003 A 908 GLN HA H 1 4.397 0.002 A 908 GLN HBy H 1 1.847 0.002 A 908 GLN HBx H 1 1.607 0.003 A 908 GLN HE2x H 1 6.948 0.002 A 908 GLN HE2y H 1 7.760 0.002 A 908 GLN HGy H 1 2.297 0.002 A 908 GLN HGx H 1 2.130 0.004 A 908 GLN CA C 13 55.712 0.030 A 908 GLN CB C 13 31.157 0.037 A 908 GLN CG C 13 34.933 0.056 A 908 GLN N N 15 124.270 0.035 A 908 GLN NE2 N 15 113.045 0.045 A 909 TRP H H 1 9.120 0.004 A 909 TRP HA H 1 4.285 0.002 A 909 TRP HBx H 1 2.733 0.003 A 909 TRP HBy H 1 3.069 0.003 A 909 TRP HD1 H 1 7.143 0.004 A 909 TRP HE1 H 1 9.958 0.002 A 909 TRP HE3 H 1 7.157 0.005 A 909 TRP HH2 H 1 6.176 0.006 A 909 TRP HZ2 H 1 6.939 0.004 A 909 TRP HZ3 H 1 6.554 0.004 A 909 TRP CA C 13 59.270 0.058 A 909 TRP CB C 13 31.030 0.068 A 909 TRP CD1 C 13 126.107 0.038 A 909 TRP CE3 C 13 122.085 0.014 A 909 TRP CH2 C 13 122.622 0.040 A 909 TRP CZ2 C 13 113.478 0.058 A 909 TRP CZ3 C 13 120.089 0.022 A 909 TRP N N 15 126.189 0.029 A 909 TRP NE1 N 15 128.781 0.023 A 910 PHE H H 1 6.687 0.003 A 910 PHE HA H 1 5.277 0.004 A 910 PHE HBy H 1 2.528 0.004 A 910 PHE HBx H 1 2.250 0.003 A 910 PHE HDx H 1 7.019 0.004 A 910 PHE HDy H 1 7.019 0.004 A 910 PHE HEx H 1 7.115 0.005 A 910 PHE HEy H 1 7.115 0.005 A 910 PHE HZ H 1 7.142 0.000 A 910 PHE CA C 13 54.138 0.024 A 910 PHE CB C 13 41.308 0.044 A 910 PHE CDx C 13 131.338 0.167 A 910 PHE CEx C 13 131.533 0.118 A 910 PHE CZ C 13 129.661 0.000 A 910 PHE N N 15 123.174 0.017 A 911 CYS H H 1 9.222 0.003 A 911 CYS HA H 1 3.638 0.003 A 911 CYS HBy H 1 3.220 0.003 A 911 CYS HBx H 1 2.499 0.005 A 911 CYS CA C 13 56.879 0.031 A 911 CYS CB C 13 29.711 0.050 A 911 CYS N N 15 126.400 0.027 A 912 PRO HA H 1 4.111 0.003 A 912 PRO HBx H 1 1.890 0.004 A 912 PRO HBy H 1 2.392 0.001 A 912 PRO HDx H 1 3.309 0.007 A 912 PRO HDy H 1 3.309 0.007 A 912 PRO HGx H 1 1.969 0.004 A 912 PRO HGy H 1 2.067 0.005 A 912 PRO CA C 13 65.616 0.016 A 912 PRO CB C 13 32.177 0.024 A 912 PRO CD C 13 49.360 0.000 A 912 PRO CG C 13 27.966 0.030 A 913 LYS H H 1 7.931 0.006 A 913 LYS HA H 1 4.189 0.003 A 913 LYS HBx H 1 1.955 0.004 A 913 LYS HBy H 1 2.018 0.003 A 913 LYS HDy H 1 1.873 0.002 A 913 LYS HDx H 1 1.774 0.003 A 913 LYS HEx H 1 3.084 0.007 A 913 LYS HEy H 1 3.084 0.007 A 913 LYS HGx H 1 1.405 0.003 A 913 LYS HGy H 1 1.609 0.003 A 913 LYS CA C 13 59.324 0.025 A 913 LYS CB C 13 32.945 0.035 A 913 LYS CD C 13 29.340 0.035 A 913 LYS CE C 13 42.332 0.035 A 913 LYS CG C 13 25.367 0.044 A 913 LYS N N 15 117.200 0.022 A 914 CYS H H 1 8.481 0.003 A 914 CYS HA H 1 3.909 0.003 A 914 CYS HBy H 1 2.978 0.003 A 914 CYS HBx H 1 2.795 0.002 A 914 CYS CA C 13 63.754 0.053 A 914 CYS CB C 13 29.907 0.025 A 914 CYS N N 15 125.354 0.027 A 915 ALA H H 1 8.904 0.004 A 915 ALA HA H 1 3.765 0.003 A 915 ALA HB% H 1 1.190 0.004 A 915 ALA CA C 13 54.523 0.009 A 915 ALA CB C 13 18.298 0.035 A 915 ALA N N 15 121.697 0.023 A 916 ASN H H 1 7.510 0.004 A 916 ASN HA H 1 4.604 0.004 A 916 ASN HBx H 1 2.723 0.004 A 916 ASN HBy H 1 2.831 0.003 A 916 ASN HD2x H 1 6.928 0.001 A 916 ASN HD2y H 1 7.669 0.001 A 916 ASN CA C 13 53.908 0.000 A 916 ASN CB C 13 38.936 0.051 A 916 ASN N N 15 113.992 0.012 A 916 ASN ND2 N 15 113.608 0.029 A 917 LYS H H 1 7.425 0.005 A 917 LYS HA H 1 4.113 0.002 A 917 LYS HBx H 1 1.749 0.003 A 917 LYS HBy H 1 1.812 0.003 A 917 LYS HDx H 1 1.664 0.002 A 917 LYS HDy H 1 1.664 0.002 A 917 LYS HEx H 1 2.931 0.004 A 917 LYS HEy H 1 2.931 0.004 A 917 LYS HGy H 1 1.483 0.002 A 917 LYS HGx H 1 1.369 0.002 A 917 LYS CA C 13 57.657 0.008 A 917 LYS CB C 13 32.933 0.015 A 917 LYS CD C 13 29.578 0.059 A 917 LYS CE C 13 42.050 0.024 A 917 LYS CG C 13 25.017 0.042 A 917 LYS N N 15 120.103 0.028 A 918 ILE H H 1 7.855 0.009 A 918 ILE HA H 1 3.925 0.001 A 918 ILE HB H 1 1.740 0.002 A 918 ILE HD1% H 1 0.598 0.006 A 918 ILE HG1y H 1 1.370 0.002 A 918 ILE HG1x H 1 1.053 0.003 A 918 ILE HG2% H 1 0.787 0.002 A 918 ILE CA C 13 61.938 0.029 A 918 ILE CB C 13 38.189 0.027 A 918 ILE CD1 C 13 12.677 0.011 A 918 ILE CG1 C 13 27.711 0.033 A 918 ILE CG2 C 13 17.388 0.026 A 918 ILE N N 15 120.381 0.010 A 919 LYS H H 1 8.081 0.003 A 919 LYS HA H 1 4.243 0.003 A 919 LYS HBx H 1 1.735 0.003 A 919 LYS HBy H 1 1.808 0.001 A 919 LYS HDx H 1 1.616 0.001 A 919 LYS HDy H 1 1.616 0.001 A 919 LYS HEx H 1 2.890 0.001 A 919 LYS HEy H 1 2.890 0.001 A 919 LYS HGy H 1 1.418 0.004 A 919 LYS HGx H 1 1.361 0.002 A 919 LYS CA C 13 56.486 0.043 A 919 LYS CB C 13 32.942 0.031 A 919 LYS CD C 13 29.029 0.014 A 919 LYS CE C 13 42.197 0.000 A 919 LYS CG C 13 24.692 0.038 A 919 LYS N N 15 124.371 0.027 A 920 LYS H H 1 8.251 0.003 A 920 LYS HA H 1 4.252 0.003 A 920 LYS HBx H 1 1.744 0.004 A 920 LYS HBy H 1 1.829 0.006 A 920 LYS HDx H 1 1.617 0.000 A 920 LYS HDy H 1 1.617 0.000 A 920 LYS HEx H 1 2.992 0.000 A 920 LYS HEy H 1 2.992 0.000 A 920 LYS HGx H 1 1.398 0.003 A 920 LYS HGy H 1 1.432 0.000 A 920 LYS CA C 13 56.520 0.009 A 920 LYS CB C 13 32.966 0.005 A 920 LYS CD C 13 29.015 0.000 A 920 LYS CE C 13 42.220 0.000 A 920 LYS CG C 13 24.789 0.000 A 920 LYS N N 15 122.385 0.019 A 921 ASP H H 1 8.373 0.002 A 921 ASP HA H 1 4.572 0.003 A 921 ASP HBx H 1 2.624 0.005 A 921 ASP HBy H 1 2.684 0.002 A 921 ASP CA C 13 54.554 0.000 A 921 ASP CB C 13 41.394 0.047 A 921 ASP N N 15 121.261 0.016 A 922 LYS H H 1 8.201 0.001 A 922 LYS HA H 1 4.293 0.004 A 922 LYS HBx H 1 1.753 0.002 A 922 LYS HBy H 1 1.832 0.002 A 922 LYS HDx H 1 1.674 0.000 A 922 LYS HDy H 1 1.674 0.000 A 922 LYS HEx H 1 2.977 0.000 A 922 LYS HEy H 1 2.977 0.000 A 922 LYS HGx H 1 1.416 0.002 A 922 LYS HGy H 1 1.416 0.002 A 922 LYS CA C 13 56.200 0.000 A 922 LYS CB C 13 32.966 0.005 A 922 LYS CD C 13 29.100 0.000 A 922 LYS CE C 13 42.197 0.000 A 922 LYS CG C 13 24.809 0.000 A 922 LYS N N 15 121.492 0.029 A 923 LYS H H 1 8.347 0.001 A 923 LYS HA H 1 4.281 0.007 A 923 LYS HBx H 1 1.742 0.003 A 923 LYS HBy H 1 1.808 0.001 A 923 LYS HDx H 1 1.676 0.003 A 923 LYS HDy H 1 1.676 0.003 A 923 LYS HEx H 1 2.977 0.000 A 923 LYS HEy H 1 2.977 0.000 A 923 LYS HGx H 1 1.419 0.001 A 923 LYS HGy H 1 1.419 0.001 A 923 LYS CA C 13 56.357 0.000 A 923 LYS CB C 13 32.966 0.005 A 923 LYS CD C 13 29.015 0.000 A 923 LYS CE C 13 42.197 0.000 A 923 LYS CG C 13 24.789 0.000 A 923 LYS N N 15 123.061 0.021 A 924 HIS H H 1 8.009 0.001 A 924 HIS HA H 1 4.449 0.000 A 924 HIS HBx H 1 3.058 0.001 A 924 HIS HBy H 1 3.206 0.001 A 924 HIS HD2 H 1 7.129 0.000 A 924 HIS HE1 H 1 8.218 0.003 A 924 HIS CA C 13 57.365 0.000 A 924 HIS CB C 13 30.772 0.010 A 924 HIS CD2 C 13 120.218 0.000 A 924 HIS CE1 C 13 137.075 0.010 A 924 HIS N N 15 125.334 0.020 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 863 TRP H A 865 ASN H 1.0 0.0 4.16 2 2 A 853 MET HA A 854 ALA H 1.0 0.0 3.32 3 3 A 857 TYR HD% A 869 ILE HG2% 1.0 0.0 3.80 4 4 A 878 ASP H A 893 HIS HE2 1.0 0.0 4.66 5 5 A 869 ILE HG2% A 857 TYR HE% 1.0 0.0 4.55 6 6 A 923 LYS HEx A 923 LYS HGx 1.0 0.0 4.23 7 6 A 923 LYS HEy A 923 LYS HGx 1.0 0.0 4.23 8 6 A 923 LYS HGy A 923 LYS HEx 1.0 0.0 4.23 9 6 A 923 LYS HGy A 923 LYS HEy 1.0 0.0 4.23 10 7 A 862 GLU H A 861 ASP HBy 1.0 0.0 3.81 11 8 A 919 LYS HA A 920 LYS H 1.0 0.0 3.21 12 9 A 884 GLY H A 883 ILE HG1x 1.0 0.0 4.07 13 10 A 914 CYS HA A 917 LYS HBx 1.0 0.0 5.32 14 11 A 862 GLU H A 862 GLU HBy 1.0 0.0 3.77 15 12 A 854 ALA HA A 855 MET H 1.0 0.0 3.04 16 13 A 889 ASP H A 888 CYS HBx 1.0 0.0 3.77 17 14 A 899 ILE HD1% A 909 TRP HD1 1.0 0.0 4.13 18 15 A 851 SER HA A 850 GLY HAx 1.0 0.0 4.54 19 15 A 850 GLY HAy A 851 SER HA 1.0 0.0 4.54 20 16 A 862 GLU H A 862 GLU HBx 1.0 0.0 3.77 21 17 A 855 MET H A 854 ALA HB% 1.0 0.0 3.91 22 18 A 878 ASP H A 893 HIS HD2 1.0 0.0 4.45 23 19 A 899 ILE HD1% A 894 TRP HD1 1.0 0.0 4.49 24 20 A 869 ILE HD1% A 870 CYS H 1.0 0.0 5.27 25 21 A 855 MET H A 856 ALA HB% 1.0 0.0 4.47 26 22 A 862 GLU H A 862 GLU HGx 1.0 0.0 3.56 27 22 A 862 GLU H A 862 GLU HGy 1.0 0.0 3.56 28 23 A 855 MET H A 855 MET HBy 1.0 0.0 3.83 29 24 A 874 ASN H A 875 LYS H 1.0 0.0 3.30 30 25 A 909 TRP HD1 A 883 ILE HD1% 1.0 0.0 3.97 31 26 A 859 ILE HG2% A 861 ASP H 1.0 0.0 4.90 32 27 A 867 ILE HG2% A 867 ILE HD1% 1.0 0.0 3.07 33 28 A 882 MET HA A 893 HIS HA 1.0 0.0 4.03 34 29 A 863 TRP H A 862 GLU H 1.0 0.0 3.48 35 30 A 855 MET H A 855 MET HBx 1.0 0.0 3.83 36 31 A 889 ASP H A 890 ASP H 1.0 0.0 3.74 37 32 A 894 TRP HD1 A 883 ILE HD1% 1.0 0.0 4.52 38 33 A 859 ILE HG1y A 867 ILE HB 1.0 0.0 4.81 39 34 A 869 ILE HD1% A 876 PRO HA 1.0 0.0 3.81 40 35 A 866 GLN HBy A 858 VAL HGy% 1.0 0.0 5.30 41 36 A 863 TRP H A 862 GLU HBy 1.0 0.0 4.25 42 37 A 855 MET H A 855 MET HGx 1.0 0.0 4.67 43 38 A 909 TRP HD1 A 910 PHE H 1.0 0.0 4.58 44 39 A 894 TRP HE3 A 899 ILE HG2% 1.0 0.0 3.86 45 40 A 870 CYS HBy A 892 TYR HA 1.0 0.0 4.68 46 41 A 885 CYS HBy A 911 CYS HA 1.0 0.0 5.50 47 42 A 859 ILE HG2% A 867 ILE HB 1.0 0.0 4.29 48 43 A 863 TRP H A 862 GLU HBx 1.0 0.0 4.25 49 44 A 855 MET H A 855 MET HGy 1.0 0.0 4.67 50 45 A 894 TRP HD1 A 894 TRP H 1.0 0.0 3.85 51 46 A 899 ILE HG2% A 894 TRP HH2 1.0 0.0 4.33 52 47 A 892 TYR HD% A 897 VAL HGy% 1.0 0.0 5.49 53 48 A 911 CYS HA A 897 VAL HB 1.0 0.0 5.50 54 49 A 859 ILE HG2% A 867 ILE HG1y 1.0 0.0 4.18 55 50 A 863 TRP H A 862 GLU HGx 1.0 0.0 3.97 56 50 A 863 TRP H A 862 GLU HGy 1.0 0.0 3.97 57 51 A 856 ALA H A 855 MET HBy 1.0 0.0 4.48 58 52 A 883 ILE HG2% A 909 TRP HZ2 1.0 0.0 4.34 59 53 A 904 PRO HA A 905 GLU HGx 1.0 0.0 4.43 60 53 A 904 PRO HA A 905 GLU HGy 1.0 0.0 4.43 61 54 A 869 ILE HG2% A 876 PRO HA 1.0 0.0 4.17 62 55 A 875 LYS HGx A 875 LYS HEx 1.0 0.0 3.87 63 55 A 875 LYS HGx A 875 LYS HEy 1.0 0.0 3.87 64 56 A 863 TRP H A 863 TRP HBx 1.0 0.0 3.75 65 57 A 856 ALA H A 855 MET HBx 1.0 0.0 4.48 66 58 A 883 ILE H A 892 TYR HBy 1.0 0.0 4.55 67 59 A 908 GLN HA A 909 TRP HBy 1.0 0.0 4.77 68 60 A 913 LYS HBx A 913 LYS HEx 1.0 0.0 4.34 69 60 A 913 LYS HBx A 913 LYS HEy 1.0 0.0 4.34 70 61 A 867 ILE HB A 859 ILE HG1x 1.0 0.0 4.48 71 62 A 863 TRP H A 863 TRP HBy 1.0 0.0 3.75 72 63 A 856 ALA HB% A 856 ALA H 1.0 0.0 3.13 73 64 A 894 TRP HD1 A 883 ILE H 1.0 0.0 4.12 74 65 A 873 CYS H A 873 CYS HBx 1.0 0.0 4.07 75 66 A 894 TRP HZ2 A 903 PRO HDx 1.0 0.0 4.50 76 67 A 875 LYS HGy A 875 LYS HEx 1.0 0.0 3.77 77 67 A 875 LYS HEy A 875 LYS HGy 1.0 0.0 3.77 78 68 A 855 MET H A 856 ALA H 1.0 0.0 4.62 79 69 A 884 GLY H A 883 ILE HD1% 1.0 0.0 4.59 80 70 A 874 ASN H A 873 CYS H 1.0 0.0 2.93 81 71 A 892 TYR HA A 870 CYS HA 1.0 0.0 4.29 82 72 A 876 PRO HA A 869 ILE HA 1.0 0.0 3.56 83 73 A 885 CYS HBx A 888 CYS H 1.0 0.0 4.24 84 74 A 875 LYS H A 873 CYS H 1.0 0.0 4.11 85 75 A 883 ILE HD1% A 899 ILE HG1y 1.0 0.0 4.47 86 76 A 893 HIS HBx A 895 PRO HGx 1.0 0.0 4.74 87 77 A 888 CYS H A 887 ASP H 1.0 0.0 3.61 88 78 A 869 ILE HG2% A 874 ASN H 1.0 0.0 3.92 89 79 A 900 MET HA A 900 MET HGx 1.0 0.0 4.10 90 80 A 888 CYS H A 887 ASP HBx 1.0 0.0 3.95 91 81 A 874 ASN H A 873 CYS HBx 1.0 0.0 4.45 92 82 A 888 CYS H A 887 ASP HBy 1.0 0.0 3.49 93 83 A 874 ASN H A 874 ASN HA 1.0 0.0 2.86 94 84 A 889 ASP H A 885 CYS HBx 1.0 0.0 4.69 95 85 A 874 ASN H A 870 CYS HBx 1.0 0.0 5.50 96 86 A 885 CYS HBy A 911 CYS H 1.0 0.0 3.92 97 87 A 889 ASP H A 888 CYS HBy 1.0 0.0 3.77 98 88 A 869 ILE HG2% A 875 LYS H 1.0 0.0 3.81 99 89 A 883 ILE HD1% A 909 TRP HE1 1.0 0.0 4.48 100 90 A 889 ASP H A 888 CYS HA 1.0 0.0 3.40 101 91 A 870 CYS H A 875 LYS H 1.0 0.0 4.42 102 92 A 920 LYS H A 921 ASP H 1.0 0.0 4.59 103 93 A 875 LYS H A 870 CYS HBy 1.0 0.0 3.80 104 94 A 921 ASP H A 922 LYS H 1.0 0.0 4.58 105 95 A 866 GLN HBy A 867 ILE H 1.0 0.0 4.25 106 96 A 868 TRP HBx A 869 ILE H 1.0 0.0 5.42 107 97 A 868 TRP H A 877 ASP HBx 1.0 0.0 4.91 108 97 A 868 TRP H A 877 ASP HBy 1.0 0.0 4.91 109 98 A 910 PHE H A 909 TRP HE3 1.0 0.0 5.18 110 99 A 870 CYS H A 893 HIS HE1 1.0 0.0 4.48 111 100 A 870 CYS HBx A 893 HIS HE1 1.0 0.0 3.64 112 101 A 876 PRO HA A 877 ASP H 1.0 0.0 3.32 113 102 A 920 LYS H A 920 LYS HBy 1.0 0.0 3.61 114 103 A 883 ILE H A 891 TRP HE3 1.0 0.0 4.47 115 104 A 917 LYS H A 917 LYS HBy 1.0 0.0 3.66 116 105 A 884 GLY H A 883 ILE HA 1.0 0.0 3.25 117 106 A 869 ILE H A 869 ILE HB 1.0 0.0 3.75 118 107 A 887 ASP H A 910 PHE HD% 1.0 0.0 4.38 119 108 A 857 TYR HD% A 869 ILE HB 1.0 0.0 4.03 120 109 A 883 ILE HD1% A 903 PRO HDx 1.0 0.0 4.52 121 110 A 887 ASP HBy A 910 PHE HD% 1.0 0.0 4.16 122 111 A 910 PHE HE% A 908 GLN HBx 1.0 0.0 4.01 123 112 A 883 ILE HD1% A 903 PRO HGy 1.0 0.0 4.44 124 113 A 867 ILE HG2% A 867 ILE HG1y 1.0 0.0 4.06 125 114 A 891 TRP HE3 A 891 TRP HBx 1.0 0.0 3.77 126 115 A 875 LYS H A 875 LYS HGx 1.0 0.0 4.47 127 116 A 883 ILE HD1% A 909 TRP HBy 1.0 0.0 4.03 128 117 A 867 ILE HG2% A 869 ILE HG1y 1.0 0.0 4.29 129 118 A 887 ASP HBy A 914 CYS HBy 1.0 0.0 4.79 130 119 A 892 TYR HBx A 909 TRP HH2 1.0 0.0 4.73 131 120 A 859 ILE HG1x A 859 ILE H 1.0 0.0 4.05 132 121 A 883 ILE HG2% A 883 ILE HG1x 1.0 0.0 3.69 133 122 A 867 ILE HG2% A 876 PRO HBy 1.0 0.0 3.95 134 123 A 883 ILE HD1% A 899 ILE HG1x 1.0 0.0 4.47 135 124 A 892 TYR HBy A 909 TRP HH2 1.0 0.0 4.64 136 125 A 920 LYS H A 919 LYS HGy 1.0 0.0 4.98 137 126 A 883 ILE HG2% A 892 TYR HBy 1.0 0.0 4.04 138 127 A 867 ILE HG2% A 876 PRO HBx 1.0 0.0 4.01 139 128 A 883 ILE HG2% A 909 TRP HE3 1.0 0.0 4.99 140 129 A 894 TRP HE3 A 894 TRP HBx 1.0 0.0 3.82 141 130 A 919 LYS H A 919 LYS HGy 1.0 0.0 4.63 142 131 A 883 ILE HG2% A 897 VAL HGx% 1.0 0.0 3.77 143 132 A 869 ILE HD1% A 869 ILE HB 1.0 0.0 3.75 144 133 A 897 VAL HB A 883 ILE HG2% 1.0 0.0 4.93 145 134 A 897 VAL HGy% A 909 TRP HE1 1.0 0.0 3.75 146 135 A 894 TRP HH2 A 902 ALA HB% 1.0 0.0 3.57 147 136 A 899 ILE HD1% A 883 ILE HG2% 1.0 0.0 3.60 148 137 A 869 ILE HD1% A 876 PRO HBx 1.0 0.0 4.03 149 138 A 883 ILE HA A 884 GLY HAx 1.0 0.0 4.77 150 139 A 899 ILE HD1% A 909 TRP HE1 1.0 0.0 3.54 151 140 A 901 ALA H A 900 MET HBy 1.0 0.0 4.31 152 141 A 884 GLY HAx A 891 TRP HA 1.0 0.0 4.37 153 142 A 869 ILE HG2% A 869 ILE HA 1.0 0.0 3.68 154 143 A 893 HIS HA A 882 MET HGy 1.0 0.0 4.78 155 144 A 909 TRP HE1 A 909 TRP HA 1.0 0.0 5.22 156 145 A 901 ALA H A 901 ALA HB% 1.0 0.0 3.14 157 146 A 899 ILE HG2% A 894 TRP HE1 1.0 0.0 3.59 158 147 A 885 CYS HA A 886 ASP H 1.0 0.0 3.46 159 148 A 869 ILE HG2% A 869 ILE HG1y 1.0 0.0 3.59 160 149 A 867 ILE H A 866 GLN HGy 1.0 0.0 4.76 161 150 A 910 PHE H A 909 TRP HA 1.0 0.0 2.80 162 151 A 894 TRP HH2 A 902 ALA H 1.0 0.0 3.62 163 152 A 896 CYS H A 898 GLY H 1.0 0.0 4.41 164 153 A 890 ASP H A 885 CYS HBx 1.0 0.0 4.47 165 154 A 869 ILE HG2% A 869 ILE HG1x 1.0 0.0 3.71 166 155 A 867 ILE HG2% A 868 TRP HBx 1.0 0.0 4.51 167 156 A 910 PHE H A 909 TRP HBx 1.0 0.0 4.51 168 157 A 901 ALA H A 902 ALA H 1.0 0.0 4.28 169 158 A 896 CYS H A 893 HIS HBy 1.0 0.0 3.57 170 159 A 869 ILE HG2% A 874 ASN HA 1.0 0.0 3.34 171 160 A 902 ALA HA A 903 PRO HGx 1.0 0.0 4.58 172 161 A 910 PHE H A 910 PHE HBx 1.0 0.0 3.94 173 162 A 902 ALA H A 901 ALA HA 1.0 0.0 2.73 174 163 A 893 HIS HBx A 896 CYS H 1.0 0.0 3.73 175 164 A 875 LYS HBx A 875 LYS HEx 1.0 0.0 4.47 176 164 A 875 LYS HEy A 875 LYS HBx 1.0 0.0 4.47 177 165 A 910 PHE H A 910 PHE HBy 1.0 0.0 3.42 178 166 A 901 ALA HB% A 902 ALA H 1.0 0.0 2.92 179 167 A 896 CYS H A 895 PRO HBx 1.0 0.0 3.92 180 168 A 902 ALA HB% A 902 ALA H 1.0 0.0 2.69 181 169 A 896 CYS H A 895 PRO HBy 1.0 0.0 4.48 182 170 A 910 PHE H A 910 PHE HD% 1.0 0.0 4.09 183 171 A 902 ALA H A 903 PRO HDy 1.0 0.0 4.47 184 172 A 896 CYS H A 895 PRO HDx 1.0 0.0 4.12 185 173 A 911 CYS H A 910 PHE HA 1.0 0.0 3.08 186 174 A 904 PRO HA A 905 GLU H 1.0 0.0 2.69 187 175 A 895 PRO HGx A 896 CYS H 1.0 0.0 3.68 188 176 A 911 CYS H A 911 CYS HBy 1.0 0.0 4.01 189 177 A 905 GLU H A 904 PRO HBx 1.0 0.0 3.85 190 178 A 896 CYS H A 895 PRO HDy 1.0 0.0 3.56 191 179 A 896 CYS H A 896 CYS HBy 1.0 0.0 3.27 192 180 A 914 CYS HA A 917 LYS HGy 1.0 0.0 3.73 193 180 A 914 CYS HA A 917 LYS HGx 1.0 0.0 3.73 194 181 A 915 ALA H A 916 ASN HBy 1.0 0.0 5.10 195 181 A 915 ALA H A 916 ASN HBx 1.0 0.0 5.10 196 182 A 894 TRP HA A 899 ILE HG1x 1.0 0.0 4.57 197 182 A 894 TRP HA A 899 ILE HG1y 1.0 0.0 4.57 198 183 A 915 ALA HA A 918 ILE HG1x 1.0 0.0 4.64 199 183 A 915 ALA HA A 918 ILE HG1y 1.0 0.0 4.64 200 184 A 897 VAL H A 898 GLY HAx 1.0 0.0 4.13 201 184 A 897 VAL H A 898 GLY HAy 1.0 0.0 4.13 202 185 A 915 ALA HB% A 916 ASN HBy 1.0 0.0 4.52 203 185 A 916 ASN HBx A 915 ALA HB% 1.0 0.0 4.52 204 186 A 897 VAL HGy% A 899 ILE HG1x 1.0 0.0 3.21 205 186 A 897 VAL HGy% A 899 ILE HG1y 1.0 0.0 3.21 206 187 A 916 ASN H A 916 ASN HBy 1.0 0.0 3.11 207 187 A 916 ASN HBx A 916 ASN H 1.0 0.0 3.11 208 188 A 898 GLY H A 899 ILE HG1x 1.0 0.0 4.90 209 188 A 898 GLY H A 899 ILE HG1y 1.0 0.0 4.90 210 189 A 917 LYS H A 917 LYS HGy 1.0 0.0 3.20 211 189 A 917 LYS H A 917 LYS HGx 1.0 0.0 3.20 212 190 A 899 ILE HA A 899 ILE HG1x 1.0 0.0 3.57 213 190 A 899 ILE HG1y A 899 ILE HA 1.0 0.0 3.57 214 191 A 917 LYS HBy A 917 LYS HEx 1.0 0.0 3.80 215 191 A 917 LYS HBx A 917 LYS HEx 1.0 0.0 3.80 216 191 A 917 LYS HEy A 917 LYS HBy 1.0 0.0 3.80 217 191 A 917 LYS HBx A 917 LYS HEy 1.0 0.0 3.80 218 192 A 899 ILE HA A 900 MET HGy 1.0 0.0 4.62 219 192 A 899 ILE HA A 900 MET HGx 1.0 0.0 4.62 220 193 A 918 ILE H A 917 LYS HBy 1.0 0.0 3.53 221 193 A 917 LYS HBx A 918 ILE H 1.0 0.0 3.53 222 194 A 899 ILE HG2% A 899 ILE HG1x 1.0 0.0 3.21 223 194 A 899 ILE HG2% A 899 ILE HG1y 1.0 0.0 3.21 224 195 A 918 ILE HA A 917 LYS HBy 1.0 0.0 4.57 225 195 A 917 LYS HBx A 918 ILE HA 1.0 0.0 4.57 226 196 A 899 ILE HG2% A 903 PRO HGy 1.0 0.0 4.11 227 196 A 899 ILE HG2% A 903 PRO HGx 1.0 0.0 4.11 228 197 A 917 LYS HEx A 917 LYS HGy 1.0 0.0 3.19 229 197 A 917 LYS HEy A 917 LYS HGy 1.0 0.0 3.19 230 197 A 917 LYS HGx A 917 LYS HEx 1.0 0.0 3.19 231 197 A 917 LYS HGx A 917 LYS HEy 1.0 0.0 3.19 232 198 A 900 MET H A 899 ILE HG1x 1.0 0.0 5.11 233 198 A 899 ILE HG1y A 900 MET H 1.0 0.0 5.11 234 199 A 899 ILE HD1% A 903 PRO HGy 1.0 0.0 3.80 235 199 A 899 ILE HD1% A 903 PRO HGx 1.0 0.0 3.80 236 200 A 880 SER HA A 881 PRO HDy 1.0 0.0 2.98 237 200 A 880 SER HA A 881 PRO HDx 1.0 0.0 2.98 238 201 A 880 SER HBy A 881 PRO HGx 1.0 0.0 4.73 239 201 A 880 SER HBx A 881 PRO HGx 1.0 0.0 4.73 240 201 A 881 PRO HGy A 880 SER HBx 1.0 0.0 4.73 241 201 A 880 SER HBy A 881 PRO HGy 1.0 0.0 4.73 242 202 A 860 ARG H A 860 ARG HGx 1.0 0.0 3.53 243 202 A 860 ARG H A 860 ARG HGy 1.0 0.0 3.53 244 203 A 880 SER HBx A 881 PRO HDy 1.0 0.0 3.02 245 203 A 880 SER HBy A 881 PRO HDy 1.0 0.0 3.02 246 203 A 881 PRO HDx A 880 SER HBx 1.0 0.0 3.02 247 203 A 881 PRO HDx A 880 SER HBy 1.0 0.0 3.02 248 204 A 861 ASP H A 860 ARG HGx 1.0 0.0 4.82 249 204 A 861 ASP H A 860 ARG HGy 1.0 0.0 4.82 250 205 A 893 HIS HD2 A 880 SER HBx 1.0 0.0 5.17 251 205 A 893 HIS HD2 A 880 SER HBy 1.0 0.0 5.17 252 206 A 867 ILE H A 860 ARG HGx 1.0 0.0 5.34 253 206 A 867 ILE H A 860 ARG HGy 1.0 0.0 5.34 254 207 A 882 MET H A 882 MET HBx 1.0 0.0 3.63 255 207 A 882 MET H A 882 MET HBy 1.0 0.0 3.63 256 208 A 860 ARG HDy A 864 GLY HAx 1.0 0.0 4.26 257 208 A 860 ARG HDx A 864 GLY HAx 1.0 0.0 4.26 258 208 A 864 GLY HAy A 860 ARG HDx 1.0 0.0 4.26 259 208 A 860 ARG HDy A 864 GLY HAy 1.0 0.0 4.26 260 209 A 882 MET H A 882 MET HGy 1.0 0.0 3.83 261 209 A 882 MET H A 882 MET HGx 1.0 0.0 3.83 262 210 A 861 ASP H A 861 ASP HBx 1.0 0.0 3.29 263 210 A 861 ASP H A 861 ASP HBy 1.0 0.0 3.29 264 211 A 882 MET HA A 882 MET HGy 1.0 0.0 3.70 265 211 A 882 MET HA A 882 MET HGx 1.0 0.0 3.70 266 212 A 862 GLU H A 861 ASP HBx 1.0 0.0 2.97 267 212 A 862 GLU H A 861 ASP HBy 1.0 0.0 2.97 268 213 A 882 MET HE% A 882 MET HBx 1.0 0.0 3.48 269 213 A 882 MET HBy A 882 MET HE% 1.0 0.0 3.48 270 214 A 862 GLU HA A 861 ASP HBx 1.0 0.0 4.91 271 214 A 861 ASP HBy A 862 GLU HA 1.0 0.0 4.91 272 215 A 883 ILE H A 882 MET HBx 1.0 0.0 3.36 273 215 A 883 ILE H A 882 MET HBy 1.0 0.0 3.36 274 216 A 861 ASP HBy A 862 GLU HGx 1.0 0.0 4.98 275 216 A 861 ASP HBx A 862 GLU HGx 1.0 0.0 4.98 276 216 A 862 GLU HGy A 861 ASP HBx 1.0 0.0 4.98 277 216 A 862 GLU HGy A 861 ASP HBy 1.0 0.0 4.98 278 217 A 883 ILE HA A 882 MET HBx 1.0 0.0 4.73 279 217 A 883 ILE HA A 882 MET HBy 1.0 0.0 4.73 280 218 A 863 TRP H A 861 ASP HBx 1.0 0.0 3.26 281 218 A 863 TRP H A 861 ASP HBy 1.0 0.0 3.26 282 219 A 864 GLY H A 861 ASP HBx 1.0 0.0 4.16 283 219 A 861 ASP HBy A 864 GLY H 1.0 0.0 4.16 284 220 A 918 ILE HA A 918 ILE HG2% 1.0 0.0 3.34 285 221 A 869 ILE H A 869 ILE HG1y 1.0 0.0 4.31 286 222 A 867 ILE HD1% A 876 PRO HBy 1.0 0.0 5.42 287 223 A 856 ALA HB% A 858 VAL HB 1.0 0.0 4.76 288 224 A 866 GLN HBy A 858 VAL HGx% 1.0 0.0 5.30 289 225 A 894 TRP H A 895 PRO HDy 1.0 0.0 3.23 290 226 A 857 TYR HA A 858 VAL HA 1.0 0.0 4.67 291 227 A 875 LYS HBx A 876 PRO HDx 1.0 0.0 3.84 292 228 A 870 CYS H A 871 PRO HDx 1.0 0.0 4.97 293 229 A 857 TYR HA A 856 ALA HA 1.0 0.0 4.94 294 230 A 875 LYS HBx A 876 PRO HDy 1.0 0.0 3.43 295 231 A 891 TRP HE3 A 883 ILE HA 1.0 0.0 4.50 296 232 A 921 ASP HA A 922 LYS HA 1.0 0.0 5.34 297 233 A 911 CYS HA A 912 PRO HGy 1.0 0.0 4.66 298 234 A 884 GLY H A 891 TRP HE3 1.0 0.0 4.25 299 235 A 907 MET HA A 907 MET HGx 1.0 0.0 4.03 300 236 A 893 HIS HBy A 896 CYS HBx 1.0 0.0 4.71 301 237 A 882 MET HE% A 877 ASP HBx 1.0 0.0 4.10 302 237 A 877 ASP HBy A 882 MET HE% 1.0 0.0 4.10 303 238 A 870 CYS HBx A 893 HIS H 1.0 0.0 3.97 304 239 A 908 GLN H A 907 MET HBx 1.0 0.0 4.48 305 240 A 899 ILE HD1% A 897 VAL HGy% 1.0 0.0 3.45 306 241 A 899 ILE HG2% A 894 TRP HBy 1.0 0.0 4.74 307 242 A 882 MET HE% A 891 TRP HBy 1.0 0.0 4.16 308 243 A 910 PHE HE% A 887 ASP HA 1.0 0.0 4.55 309 244 A 907 MET HA A 907 MET HGy 1.0 0.0 4.03 310 245 A 899 ILE HD1% A 899 ILE H 1.0 0.0 4.27 311 246 A 895 PRO HBx A 896 CYS HA 1.0 0.0 4.50 312 247 A 913 LYS HGx A 913 LYS HEx 1.0 0.0 4.05 313 247 A 913 LYS HEy A 913 LYS HGx 1.0 0.0 4.05 314 248 A 869 ILE H A 868 TRP HD1 1.0 0.0 5.50 315 249 A 908 GLN HA A 908 GLN HGx 1.0 0.0 3.97 316 250 A 899 ILE HD1% A 899 ILE HA 1.0 0.0 4.00 317 251 A 859 ILE HG1x A 858 VAL HA 1.0 0.0 3.79 318 252 A 903 PRO HDx A 902 ALA HB% 1.0 0.0 3.78 319 253 A 888 CYS H A 910 PHE HD% 1.0 0.0 5.50 320 254 A 885 CYS HBy A 909 TRP HE3 1.0 0.0 4.73 321 255 A 899 ILE HD1% A 883 ILE HB 1.0 0.0 3.97 322 256 A 902 ALA HB% A 903 PRO HDy 1.0 0.0 4.05 323 257 A 893 HIS H A 892 TYR H 1.0 0.0 4.54 324 258 A 914 CYS HBy A 910 PHE HBy 1.0 0.0 5.23 325 259 A 899 ILE HD1% A 899 ILE HB 1.0 0.0 4.11 326 260 A 863 TRP H A 861 ASP HA 1.0 0.0 4.80 327 261 A 859 ILE H A 858 VAL HB 1.0 0.0 4.35 328 262 A 910 PHE HBx A 915 ALA HA 1.0 0.0 4.42 329 263 A 899 ILE HD1% A 899 ILE HG2% 1.0 0.0 2.87 330 264 A 862 GLU HA A 864 GLY H 1.0 0.0 4.61 331 265 A 917 LYS H A 916 ASN HD2x 1.0 0.0 5.21 332 266 A 915 ALA HB% A 912 PRO HA 1.0 0.0 3.41 333 267 A 899 ILE HD1% A 900 MET H 1.0 0.0 4.81 334 268 A 864 GLY H A 863 TRP HBy 1.0 0.0 4.72 335 269 A 917 LYS H A 917 LYS HBx 1.0 0.0 3.66 336 270 A 913 LYS HA A 913 LYS HGy 1.0 0.0 3.80 337 271 A 899 ILE HD1% A 903 PRO HDy 1.0 0.0 4.45 338 272 A 865 ASN H A 863 TRP HBy 1.0 0.0 5.05 339 273 A 917 LYS H A 917 LYS HGy 1.0 0.0 3.76 340 274 A 913 LYS HGx A 913 LYS HA 1.0 0.0 3.85 341 275 A 899 ILE HD1% A 903 PRO HGx 1.0 0.0 4.34 342 276 A 867 ILE H A 866 GLN H 1.0 0.0 4.69 343 277 A 917 LYS H A 917 LYS HGx 1.0 0.0 3.76 344 278 A 899 ILE HD1% A 903 PRO HGy 1.0 0.0 4.34 345 279 A 867 ILE HD1% A 868 TRP H 1.0 0.0 4.66 346 280 A 917 LYS H A 917 LYS HDx 1.0 0.0 4.23 347 280 A 917 LYS H A 917 LYS HDy 1.0 0.0 4.23 348 281 A 868 TRP H A 868 TRP HD1 1.0 0.0 5.06 349 282 A 917 LYS H A 917 LYS HEx 1.0 0.0 4.78 350 282 A 917 LYS H A 917 LYS HEy 1.0 0.0 4.78 351 283 A 870 CYS H A 871 PRO HDy 1.0 0.0 4.84 352 284 A 917 LYS H A 918 ILE H 1.0 0.0 3.35 353 285 A 872 GLY H A 871 PRO HBy 1.0 0.0 4.59 354 286 A 918 ILE H A 917 LYS HBy 1.0 0.0 4.18 355 287 A 870 CYS HBx A 872 GLY H 1.0 0.0 4.83 356 288 A 918 ILE H A 918 ILE HB 1.0 0.0 2.96 357 289 A 918 ILE H A 918 ILE HG1x 1.0 0.0 3.54 358 290 A 910 PHE HD% A 914 CYS HBx 1.0 0.0 4.25 359 291 A 865 ASN HBy A 865 ASN HD2y 1.0 0.0 3.91 360 292 A 899 ILE HG2% A 894 TRP HZ2 1.0 0.0 4.25 361 293 A 875 LYS H A 874 ASN HBx 1.0 0.0 4.67 362 294 A 877 ASP HA A 879 GLY H 1.0 0.0 3.96 363 295 A 873 CYS HBx A 875 LYS HDx 1.0 0.0 4.58 364 295 A 873 CYS HBx A 875 LYS HDy 1.0 0.0 4.58 365 296 A 863 TRP H A 864 GLY H 1.0 0.0 2.98 366 297 A 877 ASP H A 877 ASP HBx 1.0 0.0 3.10 367 297 A 877 ASP HBy A 877 ASP H 1.0 0.0 3.10 368 298 A 893 HIS HD2 A 877 ASP HA 1.0 0.0 5.00 369 299 A 875 LYS HGy A 876 PRO HDy 1.0 0.0 4.61 370 300 A 864 GLY H A 860 ARG HBx 1.0 0.0 4.46 371 300 A 864 GLY H A 860 ARG HBy 1.0 0.0 4.46 372 301 A 856 ALA H A 857 TYR H 1.0 0.0 5.33 373 302 A 868 TRP HE3 A 877 ASP HBx 1.0 0.0 5.25 374 302 A 877 ASP HBy A 868 TRP HE3 1.0 0.0 5.25 375 303 A 893 HIS HE1 A 877 ASP HA 1.0 0.0 5.33 376 304 A 876 PRO HBy A 859 ILE HD1% 1.0 0.0 4.91 377 305 A 862 GLU H A 864 GLY H 1.0 0.0 4.40 378 306 A 856 ALA HA A 857 TYR H 1.0 0.0 3.26 379 307 A 899 ILE HG1y A 899 ILE H 1.0 0.0 3.96 380 308 A 910 PHE HD% A 914 CYS HBy 1.0 0.0 4.64 381 309 A 897 VAL H A 895 PRO HA 1.0 0.0 4.32 382 310 A 915 ALA HA A 914 CYS H 1.0 0.0 5.50 383 311 A 922 LYS HA A 922 LYS HDx 1.0 0.0 5.11 384 311 A 922 LYS HA A 922 LYS HDy 1.0 0.0 5.11 385 312 A 865 ASN H A 864 GLY H 1.0 0.0 3.24 386 313 A 857 TYR H A 857 TYR HBy 1.0 0.0 4.14 387 314 A 863 TRP H A 863 TRP HE3 1.0 0.0 4.84 388 315 A 893 HIS HD2 A 882 MET HGy 1.0 0.0 4.43 389 316 A 883 ILE HA A 891 TRP HZ3 1.0 0.0 4.14 390 317 A 875 LYS H A 876 PRO HDy 1.0 0.0 4.85 391 318 A 923 LYS HA A 923 LYS HDx 1.0 0.0 5.37 392 318 A 923 LYS HA A 923 LYS HDy 1.0 0.0 5.37 393 319 A 876 PRO HDy A 875 LYS HDx 1.0 0.0 5.05 394 319 A 876 PRO HDy A 875 LYS HDy 1.0 0.0 5.05 395 320 A 865 ASN H A 863 TRP HBx 1.0 0.0 5.05 396 321 A 856 ALA HB% A 858 VAL H 1.0 0.0 4.59 397 322 A 914 CYS HBy A 915 ALA H 1.0 0.0 3.72 398 323 A 890 ASP H A 885 CYS HBy 1.0 0.0 5.44 399 324 A 894 TRP HD1 A 883 ILE HA 1.0 0.0 4.73 400 325 A 911 CYS HA A 909 TRP HZ2 1.0 0.0 4.05 401 326 A 860 ARG HA A 867 ILE HG1x 1.0 0.0 5.21 402 327 A 911 CYS HBy A 912 PRO HDx 1.0 0.0 3.75 403 327 A 911 CYS HBy A 912 PRO HDy 1.0 0.0 3.75 404 328 A 911 CYS HBy A 913 LYS H 1.0 0.0 4.45 405 329 A 865 ASN H A 865 ASN HBy 1.0 0.0 3.38 406 330 A 857 TYR H A 858 VAL H 1.0 0.0 3.78 407 331 A 915 ALA HB% A 916 ASN HD2x 1.0 0.0 5.50 408 332 A 885 CYS HBy A 909 TRP HZ3 1.0 0.0 4.22 409 333 A 885 CYS HA A 909 TRP HZ3 1.0 0.0 4.17 410 334 A 911 CYS HA A 909 TRP HZ3 1.0 0.0 4.57 411 335 A 911 CYS HA A 912 PRO HGx 1.0 0.0 4.64 412 336 A 911 CYS HBx A 912 PRO HDx 1.0 0.0 4.11 413 336 A 912 PRO HDy A 911 CYS HBx 1.0 0.0 4.11 414 337 A 913 LYS H A 911 CYS HBx 1.0 0.0 4.50 415 338 A 865 ASN H A 865 ASN HBx 1.0 0.0 3.95 416 339 A 857 TYR HA A 858 VAL H 1.0 0.0 3.13 417 340 A 894 TRP HZ2 A 902 ALA H 1.0 0.0 4.39 418 341 A 916 ASN HBx A 916 ASN H 1.0 0.0 3.67 419 342 A 911 CYS HA A 909 TRP HH2 1.0 0.0 3.91 420 343 A 917 LYS HA A 917 LYS HDx 1.0 0.0 4.30 421 343 A 917 LYS HDy A 917 LYS HA 1.0 0.0 4.30 422 344 A 883 ILE HD1% A 883 ILE HA 1.0 0.0 4.11 423 345 A 916 ASN H A 913 LYS HA 1.0 0.0 4.69 424 346 A 866 GLN H A 865 ASN HA 1.0 0.0 2.91 425 347 A 858 VAL H A 857 TYR HBx 1.0 0.0 4.75 426 348 A 864 GLY H A 861 ASP HA 1.0 0.0 4.74 427 349 A 870 CYS H A 870 CYS HBy 1.0 0.0 3.51 428 350 A 915 ALA HB% A 918 ILE HD1% 1.0 0.0 4.79 429 351 A 899 ILE HD1% A 894 TRP HBx 1.0 0.0 5.26 430 352 A 917 LYS H A 915 ALA H 1.0 0.0 4.64 431 353 A 866 GLN H A 865 ASN HBy 1.0 0.0 4.15 432 354 A 858 VAL HB A 858 VAL H 1.0 0.0 3.40 433 355 A 899 ILE HD1% A 894 TRP HE1 1.0 0.0 4.90 434 356 A 889 ASP H A 889 ASP HBx 1.0 0.0 3.90 435 357 A 874 ASN H A 870 CYS HBy 1.0 0.0 4.20 436 358 A 915 ALA HB% A 916 ASN HA 1.0 0.0 4.77 437 359 A 908 GLN HA A 908 GLN HGy 1.0 0.0 3.97 438 360 A 918 ILE H A 916 ASN HA 1.0 0.0 4.73 439 361 A 866 GLN HBy A 866 GLN H 1.0 0.0 3.63 440 362 A 859 ILE H A 858 VAL H 1.0 0.0 4.39 441 363 A 867 ILE HB A 859 ILE H 1.0 0.0 4.86 442 364 A 890 ASP H A 890 ASP HBy 1.0 0.0 4.14 443 365 A 875 LYS H A 874 ASN HA 1.0 0.0 3.51 444 366 A 915 ALA HA A 918 ILE H 1.0 0.0 4.66 445 367 A 899 ILE HD1% A 894 TRP HA 1.0 0.0 4.34 446 368 A 919 LYS H A 916 ASN HA 1.0 0.0 4.43 447 369 A 859 ILE H A 858 VAL HA 1.0 0.0 3.02 448 370 A 893 HIS HD2 A 893 HIS H 1.0 0.0 5.29 449 371 A 890 ASP HA A 891 TRP H 1.0 0.0 3.21 450 372 A 875 LYS H A 875 LYS HBy 1.0 0.0 3.39 451 373 A 914 CYS HBy A 915 ALA HA 1.0 0.0 4.77 452 374 A 869 ILE HD1% A 857 TYR HA 1.0 0.0 4.43 453 375 A 917 LYS H A 919 LYS H 1.0 0.0 4.58 454 376 A 893 HIS HE1 A 893 HIS H 1.0 0.0 5.50 455 377 A 891 TRP HBy A 891 TRP H 1.0 0.0 3.86 456 378 A 875 LYS H A 875 LYS HGy 1.0 0.0 3.71 457 379 A 914 CYS HA A 916 ASN H 1.0 0.0 4.64 458 380 A 869 ILE HD1% A 869 ILE H 1.0 0.0 4.46 459 381 A 892 TYR HD% A 892 TYR H 1.0 0.0 4.53 460 382 A 882 MET HE% A 892 TYR H 1.0 0.0 4.27 461 383 A 875 LYS H A 875 LYS HDx 1.0 0.0 4.30 462 383 A 875 LYS H A 875 LYS HDy 1.0 0.0 4.30 463 384 A 884 GLY H A 883 ILE HG2% 1.0 0.0 4.30 464 385 A 891 TRP HBy A 892 TYR H 1.0 0.0 4.79 465 386 A 883 ILE H A 892 TYR H 1.0 0.0 3.76 466 387 A 875 LYS H A 876 PRO HDx 1.0 0.0 4.80 467 388 A 911 CYS H A 886 ASP H 1.0 0.0 4.57 468 389 A 883 ILE HG2% A 892 TYR H 1.0 0.0 3.95 469 390 A 867 ILE HD1% A 877 ASP H 1.0 0.0 4.78 470 391 A 891 TRP HA A 892 TYR H 1.0 0.0 3.20 471 392 A 867 ILE HG2% A 877 ASP H 1.0 0.0 4.15 472 393 A 891 TRP HBx A 892 TYR H 1.0 0.0 3.65 473 394 A 869 ILE HA A 877 ASP H 1.0 0.0 4.36 474 395 A 892 TYR HBx A 892 TYR H 1.0 0.0 3.98 475 396 A 877 ASP H A 876 PRO HBy 1.0 0.0 3.96 476 397 A 877 ASP H A 876 PRO HBx 1.0 0.0 3.70 477 398 A 894 TRP HE3 A 894 TRP HBy 1.0 0.0 3.88 478 399 A 913 LYS HGy A 913 LYS H 1.0 0.0 4.27 479 400 A 894 TRP HD1 A 897 VAL HGy% 1.0 0.0 4.96 480 401 A 902 ALA HB% A 894 TRP HZ3 1.0 0.0 5.30 481 402 A 897 VAL H A 898 GLY HAx 1.0 0.0 4.74 482 403 A 860 ARG H A 860 ARG HGx 1.0 0.0 4.24 483 404 A 894 TRP HZ2 A 902 ALA HA 1.0 0.0 3.93 484 405 A 918 ILE HG1y A 918 ILE H 1.0 0.0 3.54 485 406 A 894 TRP HZ2 A 902 ALA HB% 1.0 0.0 3.71 486 407 A 878 ASP H A 882 MET HE% 1.0 0.0 5.36 487 408 A 875 LYS H A 870 CYS HBx 1.0 0.0 4.92 488 409 A 894 TRP HZ2 A 903 PRO HDy 1.0 0.0 5.28 489 410 A 856 ALA HB% A 857 TYR H 1.0 0.0 3.57 490 411 A 870 CYS HA A 871 PRO HDx 1.0 0.0 3.78 491 412 A 876 PRO HDx A 875 LYS HBy 1.0 0.0 5.12 492 413 A 909 TRP HD1 A 909 TRP HBx 1.0 0.0 3.59 493 414 A 894 TRP HE3 A 899 ILE HB 1.0 0.0 4.54 494 415 A 875 LYS HBx A 875 LYS HDx 1.0 0.0 4.13 495 415 A 875 LYS HBx A 875 LYS HDy 1.0 0.0 4.13 496 416 A 876 PRO HBx A 875 LYS HA 1.0 0.0 4.94 497 417 A 909 TRP HBy A 909 TRP HE3 1.0 0.0 3.56 498 418 A 910 PHE H A 915 ALA HB% 1.0 0.0 4.99 499 419 A 893 HIS HE1 A 875 LYS HBx 1.0 0.0 4.70 500 420 A 896 CYS HBx A 872 GLY HAx 1.0 0.0 4.79 501 421 A 910 PHE HD% A 910 PHE HA 1.0 0.0 3.73 502 422 A 859 ILE HG1y A 859 ILE H 1.0 0.0 3.94 503 423 A 875 LYS HBy A 875 LYS HEx 1.0 0.0 4.21 504 423 A 875 LYS HEy A 875 LYS HBy 1.0 0.0 4.21 505 424 A 872 GLY HAx A 873 CYS HA 1.0 0.0 4.76 506 425 A 911 CYS H A 911 CYS HBx 1.0 0.0 3.32 507 426 A 859 ILE HG1y A 860 ARG H 1.0 0.0 4.64 508 427 A 875 LYS HGx A 876 PRO HDx 1.0 0.0 4.57 509 428 A 868 TRP HBx A 882 MET HE% 1.0 0.0 4.37 510 429 A 911 CYS H A 914 CYS HBx 1.0 0.0 5.03 511 430 A 905 GLU H A 904 PRO HBy 1.0 0.0 3.75 512 431 A 875 LYS HGx A 876 PRO HDy 1.0 0.0 4.60 513 432 A 869 ILE HG2% A 869 ILE H 1.0 0.0 4.64 514 433 A 911 CYS H A 914 CYS HBy 1.0 0.0 3.95 515 434 A 905 GLU H A 905 GLU HBx 1.0 0.0 2.79 516 434 A 905 GLU H A 905 GLU HBy 1.0 0.0 2.79 517 435 A 896 CYS H A 896 CYS HBx 1.0 0.0 3.73 518 436 A 876 PRO HDx A 875 LYS HA 1.0 0.0 3.32 519 437 A 869 ILE HD1% A 876 PRO HDy 1.0 0.0 4.46 520 438 A 913 LYS H A 912 PRO HDx 1.0 0.0 4.02 521 438 A 912 PRO HDy A 913 LYS H 1.0 0.0 4.02 522 439 A 905 GLU H A 905 GLU HGx 1.0 0.0 3.28 523 439 A 905 GLU HGy A 905 GLU H 1.0 0.0 3.28 524 440 A 896 CYS H A 897 VAL H 1.0 0.0 3.15 525 441 A 876 PRO HDy A 875 LYS HA 1.0 0.0 3.34 526 442 A 869 ILE HD1% A 876 PRO HDx 1.0 0.0 4.64 527 443 A 913 LYS H A 913 LYS HBy 1.0 0.0 3.76 528 444 A 904 PRO HA A 906 GLU H 1.0 0.0 4.36 529 445 A 897 VAL HGy% A 896 CYS H 1.0 0.0 4.18 530 446 A 876 PRO HDy A 875 LYS HBy 1.0 0.0 4.06 531 447 A 869 ILE HG2% A 876 PRO HBx 1.0 0.0 4.67 532 448 A 913 LYS HBx A 913 LYS H 1.0 0.0 3.21 533 449 A 904 PRO HBx A 906 GLU H 1.0 0.0 3.99 534 450 A 894 TRP H A 897 VAL H 1.0 0.0 5.48 535 451 A 876 PRO HBx A 859 ILE HD1% 1.0 0.0 4.69 536 452 A 913 LYS HGx A 913 LYS H 1.0 0.0 3.59 537 453 A 905 GLU H A 906 GLU H 1.0 0.0 3.35 538 454 A 896 CYS HBy A 897 VAL H 1.0 0.0 4.10 539 455 A 915 ALA H A 913 LYS H 1.0 0.0 4.18 540 456 A 906 GLU H A 905 GLU HGx 1.0 0.0 3.73 541 456 A 905 GLU HGy A 906 GLU H 1.0 0.0 3.73 542 457 A 897 VAL HGy% A 897 VAL H 1.0 0.0 3.01 543 458 A 911 CYS H A 914 CYS H 1.0 0.0 4.62 544 459 A 906 GLU H A 905 GLU HBx 1.0 0.0 3.84 545 459 A 905 GLU HBy A 906 GLU H 1.0 0.0 3.84 546 460 A 897 VAL H A 898 GLY HAy 1.0 0.0 4.74 547 461 A 914 CYS H A 913 LYS H 1.0 0.0 3.02 548 462 A 906 GLU H A 906 GLU HBy 1.0 0.0 4.05 549 463 A 898 GLY H A 896 CYS HA 1.0 0.0 4.72 550 464 A 906 GLU H A 906 GLU HGy 1.0 0.0 3.76 551 465 A 898 GLY H A 897 VAL H 1.0 0.0 3.01 552 466 A 897 VAL HGy% A 898 GLY H 1.0 0.0 3.78 553 467 A 918 ILE H A 917 LYS HGy 1.0 0.0 4.40 554 467 A 917 LYS HGx A 918 ILE H 1.0 0.0 4.40 555 468 A 918 ILE HG2% A 919 LYS HBy 1.0 0.0 4.77 556 468 A 918 ILE HG2% A 919 LYS HBx 1.0 0.0 4.77 557 469 A 900 MET H A 900 MET HBx 1.0 0.0 3.19 558 469 A 900 MET H A 900 MET HBy 1.0 0.0 3.19 559 470 A 919 LYS H A 918 ILE HG1x 1.0 0.0 5.16 560 470 A 919 LYS H A 918 ILE HG1y 1.0 0.0 5.16 561 471 A 900 MET H A 900 MET HGy 1.0 0.0 3.44 562 471 A 900 MET HGx A 900 MET H 1.0 0.0 3.44 563 472 A 919 LYS H A 919 LYS HBy 1.0 0.0 3.11 564 472 A 919 LYS H A 919 LYS HBx 1.0 0.0 3.11 565 473 A 900 MET HA A 900 MET HGy 1.0 0.0 3.47 566 473 A 900 MET HA A 900 MET HGx 1.0 0.0 3.47 567 474 A 919 LYS H A 919 LYS HGy 1.0 0.0 4.00 568 474 A 919 LYS H A 919 LYS HGx 1.0 0.0 4.00 569 475 A 901 ALA H A 900 MET HGy 1.0 0.0 4.55 570 475 A 901 ALA H A 900 MET HGx 1.0 0.0 4.55 571 476 A 919 LYS HA A 919 LYS HGy 1.0 0.0 3.22 572 476 A 919 LYS HA A 919 LYS HGx 1.0 0.0 3.22 573 477 A 903 PRO HA A 904 PRO HDy 1.0 0.0 2.75 574 477 A 903 PRO HA A 904 PRO HDx 1.0 0.0 2.75 575 478 A 919 LYS HBx A 919 LYS HEx 1.0 0.0 4.08 576 478 A 919 LYS HBy A 919 LYS HEx 1.0 0.0 4.08 577 478 A 919 LYS HEy A 919 LYS HBy 1.0 0.0 4.08 578 478 A 919 LYS HBx A 919 LYS HEy 1.0 0.0 4.08 579 479 A 903 PRO HBx A 904 PRO HDy 1.0 0.0 3.57 580 479 A 904 PRO HDx A 903 PRO HBx 1.0 0.0 3.57 581 480 A 920 LYS H A 919 LYS HGy 1.0 0.0 4.39 582 480 A 920 LYS H A 919 LYS HGx 1.0 0.0 4.39 583 481 A 903 PRO HBy A 904 PRO HDy 1.0 0.0 3.62 584 481 A 904 PRO HDx A 903 PRO HBy 1.0 0.0 3.62 585 482 A 920 LYS H A 920 LYS HGx 1.0 0.0 4.28 586 482 A 920 LYS H A 920 LYS HGy 1.0 0.0 4.28 587 483 A 909 TRP HD1 A 903 PRO HGy 1.0 0.0 4.58 588 483 A 909 TRP HD1 A 903 PRO HGx 1.0 0.0 4.58 589 484 A 920 LYS HBy A 920 LYS HEx 1.0 0.0 5.07 590 484 A 920 LYS HBx A 920 LYS HEx 1.0 0.0 5.07 591 484 A 920 LYS HEy A 920 LYS HBy 1.0 0.0 5.07 592 484 A 920 LYS HBx A 920 LYS HEy 1.0 0.0 5.07 593 485 A 906 GLU H A 906 GLU HBx 1.0 0.0 3.19 594 485 A 906 GLU H A 906 GLU HBy 1.0 0.0 3.19 595 486 A 906 GLU HA A 906 GLU HGx 1.0 0.0 3.49 596 486 A 906 GLU HA A 906 GLU HGy 1.0 0.0 3.49 597 487 A 891 TRP HZ3 A 882 MET HBx 1.0 0.0 4.48 598 487 A 882 MET HBy A 891 TRP HZ3 1.0 0.0 4.48 599 488 A 892 TYR H A 882 MET HBx 1.0 0.0 4.12 600 488 A 882 MET HBy A 892 TYR H 1.0 0.0 4.12 601 489 A 865 ASN H A 861 ASP HBx 1.0 0.0 4.61 602 489 A 865 ASN H A 861 ASP HBy 1.0 0.0 4.61 603 490 A 882 MET HE% A 882 MET HGy 1.0 0.0 3.39 604 490 A 882 MET HGx A 882 MET HE% 1.0 0.0 3.39 605 491 A 867 ILE HG2% A 861 ASP HBx 1.0 0.0 4.63 606 491 A 867 ILE HG2% A 861 ASP HBy 1.0 0.0 4.63 607 492 A 892 TYR HBy A 882 MET HE% 1.0 0.0 5.23 608 493 A 883 ILE H A 882 MET HGy 1.0 0.0 4.14 609 493 A 883 ILE H A 882 MET HGx 1.0 0.0 4.14 610 494 A 867 ILE HG1x A 861 ASP HBx 1.0 0.0 4.63 611 494 A 861 ASP HBy A 867 ILE HG1x 1.0 0.0 4.63 612 495 A 893 HIS HA A 882 MET HGy 1.0 0.0 4.01 613 495 A 893 HIS HA A 882 MET HGx 1.0 0.0 4.01 614 496 A 867 ILE HD1% A 861 ASP HBx 1.0 0.0 3.72 615 496 A 867 ILE HD1% A 861 ASP HBy 1.0 0.0 3.72 616 497 A 901 ALA HA A 903 PRO HDy 1.0 0.0 5.18 617 498 A 893 HIS HD2 A 882 MET HGy 1.0 0.0 3.80 618 498 A 893 HIS HD2 A 882 MET HGx 1.0 0.0 3.80 619 499 A 862 GLU H A 862 GLU HBy 1.0 0.0 3.22 620 499 A 862 GLU H A 862 GLU HBx 1.0 0.0 3.22 621 500 A 891 TRP HA A 882 MET HE% 1.0 0.0 4.87 622 501 A 894 TRP H A 882 MET HGy 1.0 0.0 4.64 623 501 A 894 TRP H A 882 MET HGx 1.0 0.0 4.64 624 502 A 863 TRP H A 864 GLY HAx 1.0 0.0 4.93 625 502 A 863 TRP H A 864 GLY HAy 1.0 0.0 4.93 626 503 A 912 PRO HGy A 896 CYS HBx 1.0 0.0 5.08 627 504 A 883 ILE H A 883 ILE HG1x 1.0 0.0 4.60 628 504 A 883 ILE H A 883 ILE HG1y 1.0 0.0 4.60 629 505 A 863 TRP H A 865 ASN HD2x 1.0 0.0 4.42 630 505 A 863 TRP H A 865 ASN HD2y 1.0 0.0 4.42 631 506 A 893 HIS HA A 882 MET HGx 1.0 0.0 4.78 632 507 A 883 ILE HA A 883 ILE HG1x 1.0 0.0 3.09 633 507 A 883 ILE HA A 883 ILE HG1y 1.0 0.0 3.09 634 508 A 863 TRP HE3 A 863 TRP HBx 1.0 0.0 3.55 635 508 A 863 TRP HE3 A 863 TRP HBy 1.0 0.0 3.55 636 509 A 869 ILE HA A 876 PRO HBx 1.0 0.0 4.44 637 510 A 883 ILE HG2% A 883 ILE HG1x 1.0 0.0 3.20 638 510 A 883 ILE HG2% A 883 ILE HG1y 1.0 0.0 3.20 639 511 A 864 GLY H A 863 TRP HBx 1.0 0.0 4.08 640 511 A 864 GLY H A 863 TRP HBy 1.0 0.0 4.08 641 512 A 873 CYS HBx A 875 LYS HGy 1.0 0.0 4.75 642 513 A 865 ASN H A 863 TRP HBx 1.0 0.0 4.37 643 513 A 865 ASN H A 863 TRP HBy 1.0 0.0 4.37 644 514 A 855 MET H A 855 MET HBx 1.0 0.0 3.30 645 514 A 855 MET H A 855 MET HBy 1.0 0.0 3.30 646 515 A 855 MET H A 855 MET HGy 1.0 0.0 3.98 647 515 A 855 MET H A 855 MET HGx 1.0 0.0 3.98 648 516 A 887 ASP HBy A 914 CYS HBx 1.0 0.0 4.25 649 517 A 900 MET HA A 900 MET HGy 1.0 0.0 4.10 650 518 A 892 TYR HBx A 897 VAL HGx% 1.0 0.0 3.60 651 519 A 891 TRP HBy A 868 TRP HBy 1.0 0.0 4.40 652 520 A 867 ILE HB A 859 ILE HD1% 1.0 0.0 5.06 653 521 A 857 TYR HD% A 869 ILE HD1% 1.0 0.0 4.75 654 522 A 883 ILE HG2% A 883 ILE HG1y 1.0 0.0 3.69 655 523 A 867 ILE HD1% A 859 ILE HB 1.0 0.0 4.33 656 524 A 867 ILE H A 859 ILE HB 1.0 0.0 4.73 657 525 A 915 ALA HB% A 918 ILE HB 1.0 0.0 4.15 658 526 A 892 TYR HBy A 897 VAL HGx% 1.0 0.0 3.69 659 527 A 894 TRP HBy A 894 TRP HZ3 1.0 0.0 5.50 660 528 A 915 ALA HB% A 916 ASN H 1.0 0.0 3.36 661 529 A 897 VAL HGx% A 912 PRO HGy 1.0 0.0 4.08 662 530 A 894 TRP H A 899 ILE HB 1.0 0.0 5.01 663 531 A 913 LYS HGy A 913 LYS HEx 1.0 0.0 3.80 664 531 A 913 LYS HEy A 913 LYS HGy 1.0 0.0 3.80 665 532 A 914 CYS HA A 917 LYS HBy 1.0 0.0 5.32 666 533 A 913 LYS HGx A 912 PRO HGx 1.0 0.0 3.62 667 534 A 889 ASP H A 888 CYS H 1.0 0.0 4.62 668 535 A 910 PHE HBy A 914 CYS HBx 1.0 0.0 5.25 669 536 A 897 VAL HGy% A 899 ILE HG1x 1.0 0.0 4.06 670 537 A 869 ILE HA A 876 PRO HBy 1.0 0.0 4.66 671 538 A 910 PHE HBx A 915 ALA HB% 1.0 0.0 3.99 672 539 A 911 CYS HBy A 912 PRO HGx 1.0 0.0 4.33 673 540 A 910 PHE HBy A 915 ALA HA 1.0 0.0 4.41 674 541 A 899 ILE HG2% A 894 TRP HBx 1.0 0.0 4.09 675 542 A 885 CYS HBx A 911 CYS HBx 1.0 0.0 5.19 676 543 A 869 ILE HG1y A 876 PRO HDy 1.0 0.0 4.41 677 544 A 910 PHE HBy A 915 ALA HB% 1.0 0.0 3.92 678 545 A 917 LYS H A 915 ALA HA 1.0 0.0 4.31 679 546 A 915 ALA HA A 918 ILE HD1% 1.0 0.0 4.39 680 547 A 899 ILE HG2% A 897 VAL HGy% 1.0 0.0 4.42 681 548 A 885 CYS HBy A 911 CYS HBx 1.0 0.0 4.00 682 549 A 866 GLN HA A 866 GLN HGy 1.0 0.0 3.80 683 550 A 883 ILE HD1% A 909 TRP HBx 1.0 0.0 3.88 684 551 A 920 LYS H A 919 LYS HGx 1.0 0.0 4.98 685 552 A 917 LYS HA A 917 LYS HGy 1.0 0.0 3.90 686 553 A 899 ILE HG2% A 899 ILE HA 1.0 0.0 3.47 687 554 A 891 TRP HA A 884 GLY HAy 1.0 0.0 3.82 688 555 A 904 PRO HDx A 903 PRO HBy 1.0 0.0 4.28 689 556 A 893 HIS HD2 A 882 MET HE% 1.0 0.0 4.46 690 557 A 917 LYS HGx A 917 LYS HA 1.0 0.0 3.90 691 558 A 899 ILE HG2% A 899 ILE HG1y 1.0 0.0 3.67 692 559 A 892 TYR HA A 892 TYR HD% 1.0 0.0 4.38 693 560 A 870 CYS HBy A 893 HIS H 1.0 0.0 4.74 694 561 A 893 HIS HE1 A 882 MET HE% 1.0 0.0 4.63 695 562 A 917 LYS HBx A 918 ILE H 1.0 0.0 4.18 696 563 A 899 ILE HG2% A 899 ILE HG1x 1.0 0.0 3.67 697 564 A 892 TYR HA A 897 VAL HGx% 1.0 0.0 4.96 698 565 A 873 CYS H A 871 PRO HA 1.0 0.0 4.40 699 566 A 918 ILE H A 918 ILE HD1% 1.0 0.0 4.27 700 567 A 917 LYS HEy A 917 LYS HGy 1.0 0.0 3.78 701 567 A 917 LYS HEx A 917 LYS HGy 1.0 0.0 3.78 702 568 A 899 ILE HG2% A 902 ALA HA 1.0 0.0 4.28 703 569 A 883 ILE HG2% A 892 TYR HBx 1.0 0.0 4.55 704 570 A 874 ASN H A 871 PRO HA 1.0 0.0 4.23 705 571 A 919 LYS H A 918 ILE H 1.0 0.0 3.44 706 572 A 917 LYS HGx A 917 LYS HEx 1.0 0.0 3.78 707 572 A 917 LYS HGx A 917 LYS HEy 1.0 0.0 3.78 708 573 A 899 ILE HG2% A 903 PRO HBy 1.0 0.0 4.81 709 574 A 883 ILE HG2% A 894 TRP HA 1.0 0.0 4.12 710 575 A 877 ASP H A 869 ILE HG1y 1.0 0.0 5.15 711 576 A 919 LYS H A 918 ILE HG2% 1.0 0.0 3.67 712 577 A 918 ILE HG1y A 918 ILE HA 1.0 0.0 3.89 713 578 A 899 ILE HG2% A 903 PRO HDy 1.0 0.0 3.80 714 579 A 897 VAL HGy% A 894 TRP HA 1.0 0.0 3.59 715 580 A 883 ILE H A 882 MET H 1.0 0.0 4.76 716 581 A 919 LYS H A 918 ILE HB 1.0 0.0 3.09 717 582 A 899 ILE HG2% A 903 PRO HGy 1.0 0.0 4.74 718 583 A 894 TRP HBy A 899 ILE HB 1.0 0.0 4.47 719 584 A 891 TRP HE3 A 882 MET H 1.0 0.0 4.79 720 585 A 919 LYS H A 919 LYS HBx 1.0 0.0 3.56 721 586 A 893 HIS HBx A 895 PRO HDx 1.0 0.0 4.00 722 587 A 882 MET HA A 894 TRP HE1 1.0 0.0 4.70 723 588 A 919 LYS H A 919 LYS HBy 1.0 0.0 3.56 724 589 A 884 GLY H A 883 ILE H 1.0 0.0 4.82 725 590 A 919 LYS H A 919 LYS HGx 1.0 0.0 4.63 726 591 A 883 ILE H A 891 TRP HA 1.0 0.0 5.08 727 592 A 920 LYS H A 919 LYS H 1.0 0.0 4.90 728 593 A 883 ILE H A 891 TRP HZ3 1.0 0.0 4.70 729 594 A 920 LYS H A 920 LYS HBx 1.0 0.0 3.61 730 595 A 921 ASP H A 920 LYS HA 1.0 0.0 3.52 731 596 A 867 ILE H A 866 GLN HA 1.0 0.0 2.95 732 597 A 870 CYS HBy A 893 HIS HE1 1.0 0.0 3.65 733 598 A 909 TRP HD1 A 909 TRP HA 1.0 0.0 3.84 734 599 A 881 PRO HDx A 880 SER H 1.0 0.0 5.19 735 600 A 859 ILE H A 858 VAL HGy% 1.0 0.0 4.18 736 601 A 901 ALA HA A 894 TRP HZ3 1.0 0.0 3.70 737 602 A 909 TRP HZ2 A 912 PRO HDx 1.0 0.0 4.28 738 602 A 909 TRP HZ2 A 912 PRO HDy 1.0 0.0 4.28 739 603 A 859 ILE H A 859 ILE HB 1.0 0.0 3.73 740 604 A 909 TRP HE1 A 899 ILE HG1y 1.0 0.0 4.60 741 605 A 870 CYS H A 869 ILE HA 1.0 0.0 3.28 742 606 A 909 TRP HH2 A 912 PRO HDx 1.0 0.0 4.24 743 606 A 909 TRP HH2 A 912 PRO HDy 1.0 0.0 4.24 744 607 A 913 LYS HA A 916 ASN HBy 1.0 0.0 4.93 745 608 A 859 ILE HG2% A 859 ILE H 1.0 0.0 4.32 746 609 A 910 PHE H A 911 CYS H 1.0 0.0 4.47 747 610 A 910 PHE HE% A 886 ASP HBy 1.0 0.0 4.22 748 611 A 897 VAL H A 896 CYS HBx 1.0 0.0 4.55 749 612 A 916 ASN HBx A 913 LYS HA 1.0 0.0 4.93 750 613 A 883 ILE HG2% A 894 TRP HE1 1.0 0.0 4.74 751 614 A 859 ILE H A 859 ILE HD1% 1.0 0.0 4.70 752 615 A 872 GLY H A 871 PRO HBx 1.0 0.0 4.59 753 616 A 887 ASP HBx A 910 PHE HE% 1.0 0.0 4.07 754 617 A 869 ILE H A 868 TRP HBy 1.0 0.0 4.54 755 618 A 867 ILE HD1% A 861 ASP HA 1.0 0.0 4.36 756 619 A 867 ILE HD1% A 876 PRO HBx 1.0 0.0 5.06 757 620 A 911 CYS H A 885 CYS HA 1.0 0.0 4.36 758 621 A 860 ARG H A 859 ILE HA 1.0 0.0 2.85 759 622 A 911 CYS H A 910 PHE HBy 1.0 0.0 4.43 760 623 A 887 ASP HBy A 910 PHE HE% 1.0 0.0 4.45 761 624 A 875 LYS H A 874 ASN HBy 1.0 0.0 4.67 762 625 A 864 GLY HAy A 860 ARG HBy 1.0 0.0 4.14 763 625 A 864 GLY HAy A 860 ARG HBx 1.0 0.0 4.14 764 626 A 867 ILE HD1% A 865 ASN HBy 1.0 0.0 4.43 765 627 A 859 ILE HG1y A 858 VAL H 1.0 0.0 4.90 766 628 A 860 ARG H A 859 ILE HB 1.0 0.0 3.96 767 629 A 894 TRP HE1 A 902 ALA HA 1.0 0.0 4.81 768 630 A 893 HIS HD2 A 894 TRP H 1.0 0.0 4.62 769 631 A 891 TRP H A 890 ASP HBy 1.0 0.0 4.49 770 632 A 907 MET H A 907 MET HGy 1.0 0.0 4.65 771 633 A 891 TRP HE3 A 882 MET HE% 1.0 0.0 4.45 772 634 A 859 ILE HG1x A 867 ILE H 1.0 0.0 5.50 773 635 A 859 ILE HG2% A 860 ARG H 1.0 0.0 3.57 774 636 A 869 ILE HG2% A 873 CYS H 1.0 0.0 4.94 775 637 A 887 ASP H A 886 ASP H 1.0 0.0 4.61 776 638 A 902 ALA H A 894 TRP HZ3 1.0 0.0 4.75 777 639 A 904 PRO HA A 903 PRO HBx 1.0 0.0 4.92 778 640 A 893 HIS HA A 882 MET HE% 1.0 0.0 4.63 779 641 A 873 CYS H A 875 LYS HDx 1.0 0.0 5.50 780 641 A 873 CYS H A 875 LYS HDy 1.0 0.0 5.50 781 642 A 860 ARG H A 860 ARG HGy 1.0 0.0 4.24 782 643 A 894 TRP HA A 897 VAL H 1.0 0.0 4.33 783 644 A 892 TYR HBy A 892 TYR H 1.0 0.0 3.47 784 645 A 868 TRP H A 868 TRP HE3 1.0 0.0 4.15 785 646 A 902 ALA HA A 903 PRO HGy 1.0 0.0 4.58 786 647 A 894 TRP HD1 A 882 MET HA 1.0 0.0 4.20 787 648 A 875 LYS H A 873 CYS HBx 1.0 0.0 4.64 788 649 A 860 ARG H A 860 ARG HBx 1.0 0.0 3.21 789 649 A 860 ARG H A 860 ARG HBy 1.0 0.0 3.21 790 650 A 889 ASP H A 889 ASP HBy 1.0 0.0 3.90 791 651 A 897 VAL HGx% A 892 TYR H 1.0 0.0 5.50 792 652 A 878 ASP H A 877 ASP H 1.0 0.0 4.71 793 653 A 902 ALA HA A 903 PRO HA 1.0 0.0 4.79 794 654 A 897 VAL HGy% A 892 TYR HBx 1.0 0.0 4.44 795 655 A 883 ILE H A 882 MET HE% 1.0 0.0 4.51 796 656 A 861 ASP H A 867 ILE HD1% 1.0 0.0 4.50 797 657 A 863 TRP HA A 863 TRP HE1 1.0 0.0 5.50 798 658 A 882 MET HE% A 893 HIS H 1.0 0.0 3.99 799 659 A 878 ASP H A 877 ASP HA 1.0 0.0 3.11 800 660 A 866 GLN H A 866 GLN HBx 1.0 0.0 3.37 801 661 A 902 ALA HA A 901 ALA HA 1.0 0.0 4.62 802 662 A 867 ILE HG2% A 877 ASP HBx 1.0 0.0 3.90 803 662 A 867 ILE HG2% A 877 ASP HBy 1.0 0.0 3.90 804 663 A 894 TRP H A 883 ILE H 1.0 0.0 4.92 805 664 A 864 GLY H A 863 TRP HBx 1.0 0.0 4.72 806 665 A 892 TYR HA A 893 HIS H 1.0 0.0 3.15 807 666 A 878 ASP H A 877 ASP HBx 1.0 0.0 4.27 808 666 A 878 ASP H A 877 ASP HBy 1.0 0.0 4.27 809 667 A 866 GLN H A 866 GLN HGy 1.0 0.0 4.40 810 668 A 901 ALA HB% A 903 PRO HA 1.0 0.0 5.00 811 669 A 901 ALA HB% A 902 ALA HA 1.0 0.0 4.74 812 670 A 891 TRP HE3 A 892 TYR H 1.0 0.0 4.53 813 671 A 892 TYR HBx A 893 HIS H 1.0 0.0 3.80 814 672 A 879 GLY H A 877 ASP HBx 1.0 0.0 4.43 815 672 A 877 ASP HBy A 879 GLY H 1.0 0.0 4.43 816 673 A 867 ILE H A 860 ARG HA 1.0 0.0 4.54 817 674 A 914 CYS HA A 917 LYS HGy 1.0 0.0 4.39 818 675 A 909 TRP HH2 A 892 TYR H 1.0 0.0 4.61 819 676 A 892 TYR HBy A 893 HIS H 1.0 0.0 4.31 820 677 A 878 ASP H A 879 GLY H 1.0 0.0 2.99 821 678 A 867 ILE H A 859 ILE H 1.0 0.0 4.29 822 679 A 903 PRO HDx A 902 ALA H 1.0 0.0 4.63 823 680 A 893 HIS HBy A 893 HIS H 1.0 0.0 3.70 824 681 A 878 ASP H A 880 SER H 1.0 0.0 3.89 825 682 A 867 ILE H A 866 GLN HGx 1.0 0.0 4.76 826 683 A 893 HIS HBx A 893 HIS H 1.0 0.0 4.00 827 684 A 879 GLY H A 880 SER H 1.0 0.0 3.20 828 685 A 867 ILE HB A 867 ILE H 1.0 0.0 3.45 829 686 A 896 CYS HBy A 893 HIS H 1.0 0.0 4.03 830 687 A 880 SER H A 880 SER HBx 1.0 0.0 3.66 831 688 A 867 ILE HG1y A 867 ILE H 1.0 0.0 3.89 832 689 A 896 CYS HBx A 893 HIS H 1.0 0.0 4.66 833 690 A 880 SER HBy A 880 SER H 1.0 0.0 3.66 834 691 A 867 ILE HD1% A 867 ILE H 1.0 0.0 4.23 835 692 A 880 SER H A 881 PRO HDy 1.0 0.0 5.19 836 693 A 868 TRP H A 867 ILE HA 1.0 0.0 2.87 837 694 A 868 TRP HBx A 868 TRP H 1.0 0.0 3.47 838 695 A 909 TRP HH2 A 911 CYS HBx 1.0 0.0 4.62 839 696 A 915 ALA HB% A 914 CYS H 1.0 0.0 4.25 840 697 A 869 ILE H A 869 ILE HG1x 1.0 0.0 4.37 841 698 A 910 PHE HD% A 915 ALA HB% 1.0 0.0 4.55 842 699 A 867 ILE H A 867 ILE HG1x 1.0 0.0 4.05 843 700 A 897 VAL HB A 909 TRP HZ2 1.0 0.0 3.53 844 701 A 857 TYR HD% A 856 ALA HA 1.0 0.0 4.70 845 702 A 891 TRP H A 891 TRP HD1 1.0 0.0 4.21 846 703 A 862 GLU H A 861 ASP HBx 1.0 0.0 3.81 847 704 A 857 TYR HD% A 858 VAL H 1.0 0.0 4.73 848 705 A 866 GLN H A 865 ASN HBx 1.0 0.0 3.73 849 706 A 908 GLN H A 907 MET H 1.0 0.0 4.67 850 707 A 907 MET H A 907 MET HGx 1.0 0.0 4.65 851 708 A 869 ILE HD1% A 876 PRO HGx 1.0 0.0 4.78 852 709 A 909 TRP HZ2 A 883 ILE HB 1.0 0.0 5.50 853 710 A 894 TRP HD1 A 899 ILE HG2% 1.0 0.0 4.03 854 711 A 910 PHE HBx A 914 CYS H 1.0 0.0 5.02 855 712 A 869 ILE HD1% A 876 PRO HGy 1.0 0.0 4.78 856 713 A 869 ILE HD1% A 859 ILE HG1y 1.0 0.0 3.75 857 714 A 901 ALA HB% A 894 TRP HZ3 1.0 0.0 5.50 858 715 A 883 ILE HG2% A 909 TRP HH2 1.0 0.0 4.50 859 716 A 891 TRP H A 890 ASP HBx 1.0 0.0 4.49 860 717 A 875 LYS HA A 876 PRO HGx 1.0 0.0 4.64 861 718 A 867 ILE HG1y A 859 ILE HB 1.0 0.0 4.66 862 719 A 894 TRP HH2 A 901 ALA HA 1.0 0.0 4.41 863 720 A 909 TRP HZ3 A 885 CYS H 1.0 0.0 4.47 864 721 A 890 ASP H A 890 ASP HBx 1.0 0.0 4.14 865 722 A 875 LYS HA A 876 PRO HGy 1.0 0.0 4.64 866 723 A 869 ILE HG2% A 857 TYR HA 1.0 0.0 4.58 867 724 A 898 GLY H A 895 PRO HA 1.0 0.0 3.69 868 725 A 883 ILE HG2% A 909 TRP HZ3 1.0 0.0 4.44 869 726 A 909 TRP HZ3 A 911 CYS HBx 1.0 0.0 4.48 870 727 A 881 PRO HDx A 880 SER HBx 1.0 0.0 4.05 871 728 A 858 VAL HA A 858 VAL HGy% 1.0 0.0 4.18 872 729 A 910 PHE HD% A 918 ILE HD1% 1.0 0.0 4.69 873 730 A 904 PRO HBy A 906 GLU H 1.0 0.0 4.31 874 731 A 880 SER HA A 881 PRO HDx 1.0 0.0 3.58 875 732 A 859 ILE HG2% A 859 ILE HA 1.0 0.0 3.45 876 733 A 906 GLU H A 906 GLU HGx 1.0 0.0 3.76 877 734 A 896 CYS H A 895 PRO HGy 1.0 0.0 4.55 878 735 A 880 SER HBx A 881 PRO HDy 1.0 0.0 4.05 879 736 A 859 ILE HD1% A 859 ILE HA 1.0 0.0 4.60 880 737 A 907 MET H A 905 GLU HA 1.0 0.0 4.12 881 738 A 898 GLY H A 899 ILE H 1.0 0.0 3.37 882 739 A 880 SER HBy A 881 PRO HDy 1.0 0.0 4.05 883 740 A 859 ILE HD1% A 859 ILE HB 1.0 0.0 3.63 884 741 A 906 GLU H A 907 MET H 1.0 0.0 3.22 885 742 A 894 TRP HA A 899 ILE H 1.0 0.0 4.34 886 743 A 882 MET HA A 883 ILE HG2% 1.0 0.0 4.05 887 744 A 859 ILE HG2% A 859 ILE HG1y 1.0 0.0 3.72 888 745 A 907 MET H A 907 MET HBx 1.0 0.0 3.13 889 746 A 894 TRP HBx A 899 ILE H 1.0 0.0 4.48 890 747 A 877 ASP H A 882 MET HE% 1.0 0.0 4.79 891 748 A 859 ILE HG2% A 859 ILE HG1x 1.0 0.0 3.68 892 749 A 907 MET H A 907 MET HBy 1.0 0.0 3.13 893 750 A 899 ILE H A 895 PRO HA 1.0 0.0 3.83 894 751 A 860 ARG HBy A 860 ARG HDx 1.0 0.0 3.29 895 751 A 860 ARG HBx A 860 ARG HDx 1.0 0.0 3.29 896 751 A 860 ARG HDy A 860 ARG HBx 1.0 0.0 3.29 897 751 A 860 ARG HDy A 860 ARG HBy 1.0 0.0 3.29 898 752 A 907 MET HA A 908 GLN H 1.0 0.0 2.62 899 753 A 897 VAL H A 899 ILE H 1.0 0.0 4.13 900 754 A 908 GLN H A 907 MET HBy 1.0 0.0 4.48 901 755 A 897 VAL HGy% A 899 ILE H 1.0 0.0 3.58 902 756 A 908 GLN H A 907 MET HGx 1.0 0.0 3.90 903 757 A 899 ILE H A 899 ILE HB 1.0 0.0 3.10 904 758 A 908 GLN H A 907 MET HGy 1.0 0.0 3.90 905 759 A 899 ILE HG2% A 899 ILE H 1.0 0.0 3.90 906 760 A 908 GLN H A 908 GLN HBy 1.0 0.0 3.62 907 761 A 899 ILE HA A 900 MET H 1.0 0.0 2.83 908 762 A 899 ILE HG2% A 900 MET H 1.0 0.0 3.65 909 763 A 921 ASP H A 920 LYS HBy 1.0 0.0 3.77 910 763 A 921 ASP H A 920 LYS HBx 1.0 0.0 3.77 911 764 A 921 ASP H A 921 ASP HBx 1.0 0.0 3.40 912 764 A 921 ASP H A 921 ASP HBy 1.0 0.0 3.40 913 765 A 907 MET H A 906 GLU HBx 1.0 0.0 4.14 914 765 A 906 GLU HBy A 907 MET H 1.0 0.0 4.14 915 766 A 922 LYS H A 921 ASP HBx 1.0 0.0 3.98 916 766 A 922 LYS H A 921 ASP HBy 1.0 0.0 3.98 917 767 A 907 MET H A 906 GLU HGx 1.0 0.0 4.05 918 767 A 906 GLU HGy A 907 MET H 1.0 0.0 4.05 919 768 A 922 LYS H A 922 LYS HBy 1.0 0.0 3.30 920 768 A 922 LYS H A 922 LYS HBx 1.0 0.0 3.30 921 769 A 907 MET HA A 906 GLU HGx 1.0 0.0 4.64 922 769 A 907 MET HA A 906 GLU HGy 1.0 0.0 4.64 923 770 A 922 LYS HBy A 922 LYS HEx 1.0 0.0 5.26 924 770 A 922 LYS HBx A 922 LYS HEx 1.0 0.0 5.26 925 770 A 922 LYS HEy A 922 LYS HBy 1.0 0.0 5.26 926 770 A 922 LYS HBx A 922 LYS HEy 1.0 0.0 5.26 927 771 A 907 MET H A 907 MET HBy 1.0 0.0 2.73 928 771 A 907 MET H A 907 MET HBx 1.0 0.0 2.73 929 772 A 923 LYS H A 923 LYS HBx 1.0 0.0 3.59 930 772 A 923 LYS H A 923 LYS HBy 1.0 0.0 3.59 931 773 A 907 MET HA A 907 MET HGy 1.0 0.0 3.39 932 773 A 907 MET HA A 907 MET HGx 1.0 0.0 3.39 933 774 A 924 HIS H A 923 LYS HBx 1.0 0.0 4.29 934 774 A 923 LYS HBy A 924 HIS H 1.0 0.0 4.29 935 775 A 907 MET HA A 908 GLN HGx 1.0 0.0 4.86 936 775 A 907 MET HA A 908 GLN HGy 1.0 0.0 4.86 937 776 A 923 LYS HGy A 924 HIS HBx 1.0 0.0 4.08 938 776 A 924 HIS HBy A 923 LYS HGx 1.0 0.0 4.08 939 776 A 923 LYS HGy A 924 HIS HBy 1.0 0.0 4.08 940 776 A 923 LYS HGx A 924 HIS HBx 1.0 0.0 4.08 941 777 A 908 GLN H A 907 MET HBy 1.0 0.0 3.70 942 777 A 908 GLN H A 907 MET HBx 1.0 0.0 3.70 943 778 A 924 HIS H A 924 HIS HBx 1.0 0.0 3.54 944 778 A 924 HIS H A 924 HIS HBy 1.0 0.0 3.54 945 779 A 908 GLN H A 908 GLN HBy 1.0 0.0 2.95 946 779 A 908 GLN H A 908 GLN HBx 1.0 0.0 2.95 947 780 A 908 GLN H A 908 GLN HGx 1.0 0.0 3.21 948 780 A 908 GLN H A 908 GLN HGy 1.0 0.0 3.21 949 781 A 909 TRP H A 908 GLN HBy 1.0 0.0 3.25 950 781 A 908 GLN HBx A 909 TRP H 1.0 0.0 3.25 951 782 A 883 ILE HG2% A 899 ILE HG1x 1.0 0.0 4.21 952 782 A 883 ILE HG2% A 899 ILE HG1y 1.0 0.0 4.21 953 783 A 884 GLY H A 883 ILE HG1x 1.0 0.0 3.47 954 783 A 884 GLY H A 883 ILE HG1y 1.0 0.0 3.47 955 784 A 863 TRP HBy A 865 ASN HD2x 1.0 0.0 3.54 956 784 A 865 ASN HD2y A 863 TRP HBx 1.0 0.0 3.54 957 784 A 865 ASN HD2y A 863 TRP HBy 1.0 0.0 3.54 958 784 A 865 ASN HD2x A 863 TRP HBx 1.0 0.0 3.54 959 785 A 899 ILE HD1% A 883 ILE HG1x 1.0 0.0 4.94 960 785 A 899 ILE HD1% A 883 ILE HG1y 1.0 0.0 4.94 961 786 A 863 TRP HD1 A 865 ASN HD2x 1.0 0.0 4.47 962 786 A 865 ASN HD2y A 863 TRP HD1 1.0 0.0 4.47 963 787 A 856 ALA H A 855 MET HBx 1.0 0.0 3.80 964 787 A 856 ALA H A 855 MET HBy 1.0 0.0 3.80 965 788 A 909 TRP HBy A 883 ILE HG1x 1.0 0.0 4.49 966 788 A 909 TRP HBy A 883 ILE HG1y 1.0 0.0 4.49 967 789 A 865 ASN H A 865 ASN HD2x 1.0 0.0 4.18 968 789 A 865 ASN H A 865 ASN HD2y 1.0 0.0 4.18 969 790 A 856 ALA HB% A 858 VAL HGy% 1.0 0.0 4.07 970 790 A 856 ALA HB% A 858 VAL HGx% 1.0 0.0 4.07 971 791 A 909 TRP HE3 A 883 ILE HG1x 1.0 0.0 3.87 972 791 A 909 TRP HE3 A 883 ILE HG1y 1.0 0.0 3.87 973 792 A 866 GLN H A 866 GLN HGx 1.0 0.0 3.65 974 792 A 866 GLN H A 866 GLN HGy 1.0 0.0 3.65 975 793 A 857 TYR H A 857 TYR HBy 1.0 0.0 3.34 976 793 A 857 TYR H A 857 TYR HBx 1.0 0.0 3.34 977 794 A 883 ILE HD1% A 903 PRO HGy 1.0 0.0 3.74 978 794 A 883 ILE HD1% A 903 PRO HGx 1.0 0.0 3.74 979 795 A 866 GLN HBx A 866 GLN HE2x 1.0 0.0 4.56 980 795 A 866 GLN HBx A 866 GLN HE2y 1.0 0.0 4.56 981 796 A 857 TYR H A 858 VAL HGy% 1.0 0.0 4.47 982 796 A 857 TYR H A 858 VAL HGx% 1.0 0.0 4.47 983 797 A 886 ASP H A 886 ASP HBx 1.0 0.0 3.43 984 797 A 886 ASP H A 886 ASP HBy 1.0 0.0 3.43 985 798 A 866 GLN HBy A 866 GLN HE2x 1.0 0.0 4.77 986 798 A 866 GLN HBy A 866 GLN HE2y 1.0 0.0 4.77 987 799 A 857 TYR HA A 858 VAL HGy% 1.0 0.0 4.74 988 799 A 857 TYR HA A 858 VAL HGx% 1.0 0.0 4.74 989 800 A 887 ASP H A 886 ASP HBx 1.0 0.0 4.45 990 800 A 887 ASP H A 886 ASP HBy 1.0 0.0 4.45 991 801 A 866 GLN HE2x A 866 GLN HGx 1.0 0.0 3.21 992 801 A 866 GLN HE2y A 866 GLN HGx 1.0 0.0 3.21 993 801 A 866 GLN HGy A 866 GLN HE2x 1.0 0.0 3.21 994 801 A 866 GLN HGy A 866 GLN HE2y 1.0 0.0 3.21 995 802 A 858 VAL H A 857 TYR HBy 1.0 0.0 3.97 996 802 A 858 VAL H A 857 TYR HBx 1.0 0.0 3.97 997 803 A 886 ASP HBx A 908 GLN HBy 1.0 0.0 4.04 998 803 A 886 ASP HBy A 908 GLN HBy 1.0 0.0 4.04 999 803 A 908 GLN HBx A 886 ASP HBx 1.0 0.0 4.04 1000 803 A 908 GLN HBx A 886 ASP HBy 1.0 0.0 4.04 1001 804 A 867 ILE H A 866 GLN HGx 1.0 0.0 4.16 1002 804 A 867 ILE H A 866 GLN HGy 1.0 0.0 4.16 1003 805 A 857 TYR HBx A 858 VAL HGy% 1.0 0.0 4.80 1004 805 A 857 TYR HBy A 858 VAL HGy% 1.0 0.0 4.80 1005 805 A 858 VAL HGx% A 857 TYR HBy 1.0 0.0 4.80 1006 805 A 858 VAL HGx% A 857 TYR HBx 1.0 0.0 4.80 1007 806 A 886 ASP HBx A 908 GLN HE2x 1.0 0.0 5.18 1008 806 A 886 ASP HBy A 908 GLN HE2x 1.0 0.0 5.18 1009 806 A 908 GLN HE2y A 886 ASP HBx 1.0 0.0 5.18 1010 806 A 886 ASP HBy A 908 GLN HE2y 1.0 0.0 5.18 1011 807 A 867 ILE HG2% A 876 PRO HGy 1.0 0.0 4.57 1012 807 A 867 ILE HG2% A 876 PRO HGx 1.0 0.0 4.57 1013 808 A 869 ILE H A 857 TYR HBy 1.0 0.0 4.89 1014 808 A 869 ILE H A 857 TYR HBx 1.0 0.0 4.89 1015 809 A 869 ILE HG2% A 874 ASN HBy 1.0 0.0 4.65 1016 809 A 869 ILE HG2% A 874 ASN HBx 1.0 0.0 4.65 1017 810 A 869 ILE HB A 857 TYR HBy 1.0 0.0 4.61 1018 810 A 869 ILE HB A 857 TYR HBx 1.0 0.0 4.61 1019 811 A 869 ILE HG2% A 857 TYR HBy 1.0 0.0 5.34 1020 811 A 869 ILE HG2% A 857 TYR HBx 1.0 0.0 5.34 1021 812 A 911 CYS HA A 912 PRO HDx 1.0 0.0 3.26 1022 812 A 911 CYS HA A 912 PRO HDy 1.0 0.0 3.26 1023 813 A 893 HIS HBx A 895 PRO HDy 1.0 0.0 3.15 1024 814 A 880 SER HA A 881 PRO HDy 1.0 0.0 3.58 1025 815 A 894 TRP H A 893 HIS HBx 1.0 0.0 3.66 1026 816 A 910 PHE HBx A 914 CYS HBx 1.0 0.0 3.76 1027 817 A 857 TYR H A 857 TYR HBx 1.0 0.0 4.14 1028 818 A 914 CYS HBy A 910 PHE HBx 1.0 0.0 3.70 1029 819 A 882 MET HA A 882 MET HE% 1.0 0.0 4.43 1030 820 A 918 ILE HA A 918 ILE HG1x 1.0 0.0 3.89 1031 821 A 869 ILE HG1y A 876 PRO HBx 1.0 0.0 3.68 1032 822 A 892 TYR HA A 882 MET HE% 1.0 0.0 4.22 1033 823 A 918 ILE HA A 918 ILE HD1% 1.0 0.0 4.09 1034 824 A 899 ILE HG2% A 901 ALA HA 1.0 0.0 4.26 1035 825 A 870 CYS HBy A 882 MET HE% 1.0 0.0 4.18 1036 826 A 882 MET HE% A 877 ASP HA 1.0 0.0 3.97 1037 827 A 918 ILE HB A 918 ILE HD1% 1.0 0.0 3.50 1038 828 A 899 ILE HG2% A 901 ALA HB% 1.0 0.0 4.34 1039 829 A 894 TRP HBx A 895 PRO HDy 1.0 0.0 3.90 1040 830 A 894 TRP HA A 899 ILE HB 1.0 0.0 3.80 1041 831 A 856 ALA HB% A 857 TYR HA 1.0 0.0 4.28 1042 832 A 918 ILE HG1y A 918 ILE HG2% 1.0 0.0 3.64 1043 833 A 894 TRP HH2 A 902 ALA HA 1.0 0.0 4.29 1044 834 A 894 TRP HBx A 895 PRO HDx 1.0 0.0 3.68 1045 835 A 915 ALA HA A 918 ILE HB 1.0 0.0 4.32 1046 836 A 869 ILE HB A 857 TYR HA 1.0 0.0 4.21 1047 837 A 918 ILE HG2% A 918 ILE HG1x 1.0 0.0 3.64 1048 838 A 902 ALA HA A 903 PRO HDy 1.0 0.0 3.08 1049 839 A 895 PRO HDx A 894 TRP HBy 1.0 0.0 3.59 1050 840 A 894 TRP HZ2 A 881 PRO HBy 1.0 0.0 4.64 1051 841 A 867 ILE HG1y A 866 GLN HA 1.0 0.0 4.03 1052 842 A 918 ILE HG2% A 918 ILE HD1% 1.0 0.0 3.29 1053 843 A 903 PRO HDx A 902 ALA HA 1.0 0.0 3.22 1054 844 A 897 VAL HGx% A 896 CYS HBy 1.0 0.0 4.21 1055 845 A 883 ILE HA A 894 TRP HE1 1.0 0.0 4.64 1056 846 A 871 PRO HDx A 913 LYS HGy 1.0 0.0 5.00 1057 847 A 919 LYS HA A 919 LYS HGy 1.0 0.0 3.84 1058 848 A 902 ALA HB% A 901 ALA HA 1.0 0.0 4.39 1059 849 A 897 VAL HGx% A 897 VAL HA 1.0 0.0 3.20 1060 850 A 894 TRP HE1 A 894 TRP HA 1.0 0.0 4.86 1061 851 A 921 ASP H A 920 LYS HBx 1.0 0.0 4.58 1062 852 A 919 LYS HA A 919 LYS HGx 1.0 0.0 3.84 1063 853 A 903 PRO HA A 904 PRO HDy 1.0 0.0 3.29 1064 854 A 911 CYS HA A 897 VAL HGx% 1.0 0.0 3.96 1065 855 A 896 CYS H A 893 HIS H 1.0 0.0 4.65 1066 856 A 913 LYS HBx A 914 CYS H 1.0 0.0 3.48 1067 857 A 921 ASP H A 920 LYS HBy 1.0 0.0 4.58 1068 858 A 919 LYS HEx A 919 LYS HGy 1.0 0.0 3.79 1069 858 A 919 LYS HEy A 919 LYS HGy 1.0 0.0 3.79 1070 859 A 903 PRO HA A 904 PRO HDx 1.0 0.0 3.29 1071 860 A 897 VAL HGx% A 897 VAL H 1.0 0.0 4.12 1072 861 A 894 TRP H A 896 CYS H 1.0 0.0 4.85 1073 862 A 913 LYS HGy A 914 CYS H 1.0 0.0 5.46 1074 863 A 921 ASP H A 921 ASP HBx 1.0 0.0 4.14 1075 864 A 919 LYS HGx A 919 LYS HEx 1.0 0.0 3.79 1076 864 A 919 LYS HGx A 919 LYS HEy 1.0 0.0 3.79 1077 865 A 903 PRO HA A 904 PRO HGx 1.0 0.0 4.14 1078 865 A 903 PRO HA A 904 PRO HGy 1.0 0.0 4.14 1079 866 A 899 ILE HD1% A 897 VAL HGx% 1.0 0.0 4.70 1080 867 A 896 CYS H A 894 TRP HA 1.0 0.0 4.92 1081 868 A 913 LYS HGx A 914 CYS H 1.0 0.0 5.19 1082 869 A 921 ASP H A 921 ASP HBy 1.0 0.0 4.14 1083 870 A 903 PRO HBx A 904 PRO HDy 1.0 0.0 4.43 1084 871 A 897 VAL HGx% A 912 PRO HGx 1.0 0.0 4.15 1085 872 A 894 TRP HBy A 899 ILE H 1.0 0.0 5.34 1086 873 A 914 CYS HBx A 914 CYS H 1.0 0.0 3.61 1087 874 A 922 LYS H A 921 ASP HBx 1.0 0.0 4.58 1088 875 A 897 VAL HGx% A 912 PRO HDx 1.0 0.0 3.77 1089 875 A 897 VAL HGx% A 912 PRO HDy 1.0 0.0 3.77 1090 876 A 894 TRP HE1 A 903 PRO HDy 1.0 0.0 5.31 1091 877 A 914 CYS HBy A 914 CYS H 1.0 0.0 3.24 1092 878 A 922 LYS H A 921 ASP HBy 1.0 0.0 4.58 1093 879 A 897 VAL HB A 898 GLY H 1.0 0.0 4.88 1094 880 A 915 ALA H A 914 CYS H 1.0 0.0 3.04 1095 881 A 922 LYS H A 922 LYS HBx 1.0 0.0 3.88 1096 882 A 898 GLY H A 899 ILE HB 1.0 0.0 4.80 1097 883 A 916 ASN H A 914 CYS H 1.0 0.0 4.53 1098 884 A 922 LYS H A 922 LYS HBy 1.0 0.0 3.88 1099 885 A 900 MET H A 899 ILE H 1.0 0.0 4.63 1100 886 A 922 LYS H A 922 LYS HGx 1.0 0.0 4.12 1101 886 A 922 LYS H A 922 LYS HGy 1.0 0.0 4.12 1102 887 A 910 PHE HBx A 915 ALA H 1.0 0.0 4.08 1103 888 A 923 LYS HA A 924 HIS H 1.0 0.0 3.07 1104 889 A 910 PHE HBy A 915 ALA H 1.0 0.0 4.47 1105 890 A 915 ALA H A 912 PRO HA 1.0 0.0 3.99 1106 891 A 893 HIS HA A 894 TRP H 1.0 0.0 3.25 1107 892 A 869 ILE H A 868 TRP HA 1.0 0.0 3.34 1108 893 A 868 TRP H A 867 ILE HG1x 1.0 0.0 5.35 1109 894 A 871 PRO HDx A 872 GLY H 1.0 0.0 4.07 1110 895 A 861 ASP H A 867 ILE HG2% 1.0 0.0 5.50 1111 896 A 862 GLU H A 861 ASP H 1.0 0.0 4.81 1112 897 A 863 TRP HA A 863 TRP HD1 1.0 0.0 4.73 1113 898 A 867 ILE HG2% A 868 TRP H 1.0 0.0 3.41 1114 899 A 861 ASP H A 860 ARG H 1.0 0.0 4.29 1115 900 A 867 ILE HG1y A 866 GLN H 1.0 0.0 5.50 1116 901 A 885 CYS HBx A 909 TRP HZ3 1.0 0.0 4.79 1117 902 A 899 ILE H A 899 ILE HG1x 1.0 0.0 3.96 1118 903 A 861 ASP H A 860 ARG HA 1.0 0.0 2.96 1119 904 A 892 TYR HD% A 893 HIS H 1.0 0.0 4.49 1120 905 A 911 CYS H A 910 PHE HBx 1.0 0.0 4.14 1121 906 A 918 ILE H A 918 ILE HG2% 1.0 0.0 3.91 1122 907 A 914 CYS HA A 917 LYS HGx 1.0 0.0 4.39 1123 908 A 861 ASP H A 860 ARG HBx 1.0 0.0 3.63 1124 908 A 861 ASP H A 860 ARG HBy 1.0 0.0 3.63 1125 909 A 872 GLY H A 873 CYS HA 1.0 0.0 5.47 1126 910 A 897 VAL HGx% A 896 CYS H 1.0 0.0 4.52 1127 911 A 893 HIS HBx A 895 PRO HGy 1.0 0.0 4.53 1128 912 A 907 MET H A 905 GLU HGx 1.0 0.0 5.31 1129 912 A 905 GLU HGy A 907 MET H 1.0 0.0 5.31 1130 913 A 861 ASP H A 861 ASP HBx 1.0 0.0 3.91 1131 914 A 864 GLY H A 863 TRP HD1 1.0 0.0 5.44 1132 915 A 884 GLY H A 883 ILE HG1y 1.0 0.0 4.07 1133 916 A 909 TRP HH2 A 897 VAL HGx% 1.0 0.0 3.49 1134 917 A 892 TYR HA A 870 CYS HBx 1.0 0.0 4.54 1135 918 A 906 GLU HA A 906 GLU HGy 1.0 0.0 4.04 1136 919 A 861 ASP H A 861 ASP HBy 1.0 0.0 3.91 1137 920 A 861 ASP H A 865 ASN HBy 1.0 0.0 4.55 1138 921 A 897 VAL HGy% A 909 TRP HH2 1.0 0.0 4.17 1139 922 A 869 ILE HD1% A 857 TYR H 1.0 0.0 5.50 1140 923 A 870 CYS HA A 882 MET HE% 1.0 0.0 4.44 1141 924 A 917 LYS HBx A 917 LYS HEy 1.0 0.0 4.39 1142 924 A 917 LYS HBx A 917 LYS HEx 1.0 0.0 4.39 1143 925 A 861 ASP H A 867 ILE HG1y 1.0 0.0 4.15 1144 926 A 882 MET H A 882 MET HGy 1.0 0.0 4.47 1145 927 A 875 LYS H A 893 HIS HE1 1.0 0.0 4.12 1146 928 A 869 ILE HD1% A 877 ASP H 1.0 0.0 5.50 1147 929 A 914 CYS HA A 917 LYS HDx 1.0 0.0 4.24 1148 929 A 914 CYS HA A 917 LYS HDy 1.0 0.0 4.24 1149 930 A 919 LYS HA A 919 LYS HDx 1.0 0.0 4.36 1150 930 A 919 LYS HA A 919 LYS HDy 1.0 0.0 4.36 1151 931 A 865 ASN H A 861 ASP H 1.0 0.0 4.10 1152 932 A 899 ILE HG2% A 902 ALA H 1.0 0.0 4.61 1153 933 A 897 VAL HGx% A 893 HIS H 1.0 0.0 4.46 1154 934 A 869 ILE HG2% A 870 CYS H 1.0 0.0 3.60 1155 935 A 869 ILE HA A 882 MET HE% 1.0 0.0 4.57 1156 936 A 920 LYS HA A 920 LYS HDx 1.0 0.0 4.79 1157 936 A 920 LYS HA A 920 LYS HDy 1.0 0.0 4.79 1158 937 A 861 ASP H A 867 ILE HG1x 1.0 0.0 4.70 1159 938 A 894 TRP H A 883 ILE HG2% 1.0 0.0 4.42 1160 939 A 882 MET HA A 894 TRP H 1.0 0.0 3.90 1161 940 A 882 MET H A 881 PRO HA 1.0 0.0 2.91 1162 941 A 904 PRO HDx A 903 PRO HBx 1.0 0.0 4.43 1163 942 A 898 GLY H A 897 VAL HA 1.0 0.0 3.52 1164 943 A 862 GLU H A 861 ASP HA 1.0 0.0 3.18 1165 944 A 886 ASP H A 910 PHE HA 1.0 0.0 4.69 1166 945 A 894 TRP H A 893 HIS HBy 1.0 0.0 4.67 1167 946 A 882 MET H A 881 PRO HBy 1.0 0.0 4.11 1168 947 A 868 TRP H A 868 TRP HBy 1.0 0.0 3.84 1169 948 A 866 GLN HA A 866 GLN HGx 1.0 0.0 3.80 1170 949 A 887 ASP HBx A 914 CYS HBx 1.0 0.0 4.80 1171 950 A 854 ALA H A 853 MET HBx 1.0 0.0 4.52 1172 950 A 854 ALA H A 853 MET HBy 1.0 0.0 4.52 1173 951 A 894 TRP H A 894 TRP HBy 1.0 0.0 3.70 1174 952 A 882 MET H A 881 PRO HBx 1.0 0.0 4.40 1175 953 A 867 ILE HG1y A 868 TRP H 1.0 0.0 5.22 1176 954 A 869 ILE HD1% A 874 ASN HA 1.0 0.0 5.14 1177 955 A 883 ILE HA A 883 ILE HG1x 1.0 0.0 3.71 1178 956 A 894 TRP H A 895 PRO HDx 1.0 0.0 3.95 1179 957 A 882 MET H A 882 MET HGx 1.0 0.0 4.47 1180 958 A 870 CYS H A 869 ILE HB 1.0 0.0 4.43 1181 959 A 869 ILE HD1% A 867 ILE HG2% 1.0 0.0 3.91 1182 960 A 859 ILE H A 858 VAL HGx% 1.0 0.0 4.18 1183 961 A 894 TRP H A 895 PRO HGx 1.0 0.0 4.64 1184 962 A 882 MET HA A 883 ILE H 1.0 0.0 3.21 1185 963 A 883 ILE HD1% A 883 ILE HB 1.0 0.0 3.10 1186 964 A 894 TRP H A 897 VAL HGy% 1.0 0.0 5.47 1187 965 A 883 ILE H A 882 MET HBy 1.0 0.0 3.94 1188 966 A 870 CYS H A 870 CYS HBx 1.0 0.0 3.64 1189 967 A 894 TRP HE1 A 883 ILE HB 1.0 0.0 3.45 1190 968 A 883 ILE H A 882 MET HBx 1.0 0.0 3.94 1191 969 A 873 CYS H A 874 ASN HA 1.0 0.0 4.19 1192 970 A 883 ILE H A 894 TRP HE1 1.0 0.0 5.32 1193 971 A 883 ILE H A 883 ILE HB 1.0 0.0 4.00 1194 972 A 873 CYS H A 870 CYS HBx 1.0 0.0 4.89 1195 973 A 883 ILE HD1% A 894 TRP HE1 1.0 0.0 4.19 1196 974 A 883 ILE HD1% A 883 ILE H 1.0 0.0 4.82 1197 975 A 870 CYS HBy A 873 CYS H 1.0 0.0 4.04 1198 976 A 883 ILE HG2% A 883 ILE H 1.0 0.0 3.12 1199 977 A 873 CYS H A 872 GLY H 1.0 0.0 3.22 1200 978 A 873 CYS H A 873 CYS HBy 1.0 0.0 3.79 1201 979 A 909 TRP HZ2 A 897 VAL HA 1.0 0.0 5.19 1202 980 A 908 GLN H A 909 TRP H 1.0 0.0 4.54 1203 981 A 854 ALA H A 854 ALA HB% 1.0 0.0 3.09 1204 982 A 909 TRP HE3 A 886 ASP H 1.0 0.0 4.38 1205 983 A 857 TYR HD% A 856 ALA HB% 1.0 0.0 4.24 1206 984 A 891 TRP HE3 A 882 MET HBy 1.0 0.0 3.85 1207 985 A 910 PHE HE% A 886 ASP H 1.0 0.0 4.79 1208 986 A 857 TYR HE% A 856 ALA HB% 1.0 0.0 4.71 1209 987 A 875 LYS H A 875 LYS HBx 1.0 0.0 4.04 1210 988 A 910 PHE HD% A 886 ASP H 1.0 0.0 4.70 1211 989 A 857 TYR HD% A 857 TYR H 1.0 0.0 4.02 1212 990 A 910 PHE HE% A 886 ASP HBx 1.0 0.0 4.22 1213 991 A 909 TRP HE3 A 909 TRP H 1.0 0.0 4.85 1214 992 A 857 TYR HD% A 857 TYR HA 1.0 0.0 3.52 1215 993 A 893 HIS HD2 A 882 MET HGx 1.0 0.0 4.43 1216 994 A 882 MET HE% A 868 TRP HBy 1.0 0.0 4.81 1217 995 A 909 TRP H A 910 PHE HZ 1.0 0.0 5.24 1218 996 A 863 TRP H A 863 TRP HD1 1.0 0.0 5.18 1219 997 A 891 TRP HE3 A 882 MET HBx 1.0 0.0 3.85 1220 998 A 870 CYS H A 882 MET HE% 1.0 0.0 4.42 1221 999 A 862 GLU HA A 862 GLU HGx 1.0 0.0 3.75 1222 999 A 862 GLU HGy A 862 GLU HA 1.0 0.0 3.75 1223 1000 A 910 PHE HE% A 909 TRP H 1.0 0.0 5.42 1224 1001 A 863 TRP HE3 A 863 TRP HA 1.0 0.0 4.01 1225 1002 A 914 CYS H A 913 LYS HBy 1.0 0.0 3.93 1226 1003 A 870 CYS HBx A 882 MET HE% 1.0 0.0 3.61 1227 1004 A 860 ARG HBy A 864 GLY HAx 1.0 0.0 4.14 1228 1004 A 860 ARG HBx A 864 GLY HAx 1.0 0.0 4.14 1229 1005 A 900 MET HA A 901 ALA HB% 1.0 0.0 4.55 1230 1006 A 894 TRP H A 893 HIS H 1.0 0.0 4.62 1231 1007 A 865 ASN HBy A 865 ASN HD2x 1.0 0.0 3.91 1232 1008 A 853 MET H A 853 MET HGx 1.0 0.0 4.54 1233 1008 A 853 MET H A 853 MET HGy 1.0 0.0 4.54 1234 1009 A 882 MET HE% A 882 MET HBx 1.0 0.0 4.12 1235 1010 A 860 ARG HA A 866 GLN HA 1.0 0.0 3.88 1236 1011 A 899 ILE HG2% A 902 ALA HB% 1.0 0.0 4.64 1237 1012 A 894 TRP H A 894 TRP HBx 1.0 0.0 3.78 1238 1013 A 868 TRP HBx A 868 TRP HE3 1.0 0.0 4.18 1239 1014 A 901 ALA H A 900 MET HBx 1.0 0.0 4.31 1240 1015 A 882 MET HGx A 882 MET HE% 1.0 0.0 3.93 1241 1016 A 867 ILE HG1y A 867 ILE HA 1.0 0.0 3.98 1242 1017 A 897 VAL HGy% A 899 ILE HA 1.0 0.0 4.71 1243 1018 A 893 HIS HE1 A 875 LYS HBy 1.0 0.0 3.79 1244 1019 A 866 GLN H A 866 GLN HGx 1.0 0.0 4.40 1245 1020 A 882 MET HE% A 882 MET HGy 1.0 0.0 3.93 1246 1021 A 867 ILE HG1x A 867 ILE HA 1.0 0.0 4.01 1247 1022 A 897 VAL HB A 909 TRP HH2 1.0 0.0 5.35 1248 1023 A 908 GLN H A 908 GLN HBx 1.0 0.0 3.62 1249 1024 A 910 PHE HE% A 908 GLN HBy 1.0 0.0 4.01 1250 1025 A 891 TRP HBx A 882 MET HE% 1.0 0.0 3.91 1251 1026 A 867 ILE HB A 868 TRP H 1.0 0.0 4.15 1252 1027 A 897 VAL HGx% A 911 CYS HBy 1.0 0.0 4.58 1253 1028 A 908 GLN H A 908 GLN HGy 1.0 0.0 4.06 1254 1029 A 900 MET H A 900 MET HBy 1.0 0.0 3.87 1255 1030 A 883 ILE HA A 883 ILE HG1y 1.0 0.0 3.71 1256 1031 A 867 ILE HD1% A 867 ILE HB 1.0 0.0 3.54 1257 1032 A 897 VAL HGx% A 896 CYS HBx 1.0 0.0 3.99 1258 1033 A 908 GLN HA A 909 TRP H 1.0 0.0 2.78 1259 1034 A 900 MET H A 900 MET HBx 1.0 0.0 3.87 1260 1035 A 883 ILE HD1% A 883 ILE HG2% 1.0 0.0 3.15 1261 1036 A 867 ILE HG2% A 867 ILE HG1x 1.0 0.0 3.83 1262 1037 A 897 VAL HGx% A 896 CYS HA 1.0 0.0 4.49 1263 1038 A 909 TRP H A 908 GLN HBy 1.0 0.0 3.85 1264 1039 A 900 MET HGx A 900 MET H 1.0 0.0 4.02 1265 1040 A 883 ILE HD1% A 903 PRO HDy 1.0 0.0 4.55 1266 1041 A 867 ILE HG2% A 867 ILE H 1.0 0.0 3.91 1267 1042 A 899 ILE HG2% A 894 TRP HA 1.0 0.0 4.57 1268 1043 A 908 GLN HBx A 909 TRP H 1.0 0.0 3.85 1269 1044 A 900 MET H A 900 MET HGy 1.0 0.0 4.02 1270 1045 A 867 ILE HG2% A 867 ILE HA 1.0 0.0 3.49 1271 1046 A 893 HIS HBy A 896 CYS HBy 1.0 0.0 3.96 1272 1047 A 909 TRP HBx A 909 TRP H 1.0 0.0 3.73 1273 1048 A 900 MET H A 899 ILE HB 1.0 0.0 4.90 1274 1049 A 892 TYR HBx A 896 CYS HBx 1.0 0.0 4.79 1275 1050 A 909 TRP HBy A 909 TRP H 1.0 0.0 3.46 1276 1051 A 901 ALA HB% A 900 MET H 1.0 0.0 5.29 1277 1052 A 883 ILE HG2% A 909 TRP HE1 1.0 0.0 4.20 1278 1053 A 901 ALA H A 899 ILE HA 1.0 0.0 3.77 1279 1054 A 909 TRP HE1 A 899 ILE HG1x 1.0 0.0 4.60 1280 1055 A 899 ILE HD1% A 901 ALA H 1.0 0.0 4.85 1281 1056 A 897 VAL HB A 909 TRP HE1 1.0 0.0 4.01 1282 1057 A 899 ILE HG2% A 901 ALA H 1.0 0.0 3.10 1283 1058 A 901 ALA H A 900 MET H 1.0 0.0 2.88 1284 1059 A 908 GLN HE2x A 908 GLN HGx 1.0 0.0 3.15 1285 1059 A 908 GLN HE2y A 908 GLN HGx 1.0 0.0 3.15 1286 1059 A 908 GLN HGy A 908 GLN HE2x 1.0 0.0 3.15 1287 1059 A 908 GLN HGy A 908 GLN HE2y 1.0 0.0 3.15 1288 1060 A 909 TRP H A 908 GLN HGx 1.0 0.0 4.58 1289 1060 A 908 GLN HGy A 909 TRP H 1.0 0.0 4.58 1290 1061 A 909 TRP H A 886 ASP HBx 1.0 0.0 3.75 1291 1061 A 909 TRP H A 886 ASP HBy 1.0 0.0 3.75 1292 1062 A 910 PHE HE% A 908 GLN HGx 1.0 0.0 4.53 1293 1062 A 910 PHE HE% A 908 GLN HGy 1.0 0.0 4.53 1294 1063 A 910 PHE HD% A 886 ASP HBx 1.0 0.0 3.94 1295 1063 A 910 PHE HD% A 886 ASP HBy 1.0 0.0 3.94 1296 1064 A 910 PHE HE% A 908 GLN HE2x 1.0 0.0 4.64 1297 1064 A 910 PHE HE% A 908 GLN HE2y 1.0 0.0 4.64 1298 1065 A 910 PHE HE% A 886 ASP HBx 1.0 0.0 3.49 1299 1065 A 910 PHE HE% A 886 ASP HBy 1.0 0.0 3.49 1300 1066 A 910 PHE HZ A 908 GLN HE2x 1.0 0.0 4.28 1301 1066 A 908 GLN HE2y A 910 PHE HZ 1.0 0.0 4.28 1302 1067 A 910 PHE HZ A 886 ASP HBx 1.0 0.0 4.02 1303 1067 A 886 ASP HBy A 910 PHE HZ 1.0 0.0 4.02 1304 1068 A 913 LYS H A 912 PRO HBx 1.0 0.0 3.79 1305 1068 A 913 LYS H A 912 PRO HBy 1.0 0.0 3.79 1306 1069 A 888 CYS H A 888 CYS HBx 1.0 0.0 3.55 1307 1069 A 888 CYS H A 888 CYS HBy 1.0 0.0 3.55 1308 1070 A 913 LYS HA A 916 ASN HBy 1.0 0.0 4.29 1309 1070 A 916 ASN HBx A 913 LYS HA 1.0 0.0 4.29 1310 1071 A 889 ASP H A 888 CYS HBx 1.0 0.0 3.24 1311 1071 A 889 ASP H A 888 CYS HBy 1.0 0.0 3.24 1312 1072 A 913 LYS HBx A 913 LYS HDy 1.0 0.0 3.72 1313 1072 A 913 LYS HBx A 913 LYS HDx 1.0 0.0 3.72 1314 1073 A 890 ASP H A 888 CYS HBx 1.0 0.0 5.34 1315 1073 A 890 ASP H A 888 CYS HBy 1.0 0.0 5.34 1316 1074 A 913 LYS HBy A 913 LYS HDy 1.0 0.0 3.55 1317 1074 A 913 LYS HBy A 913 LYS HDx 1.0 0.0 3.55 1318 1075 A 889 ASP H A 889 ASP HBy 1.0 0.0 3.21 1319 1075 A 889 ASP H A 889 ASP HBx 1.0 0.0 3.21 1320 1076 A 914 CYS HA A 917 LYS HBy 1.0 0.0 4.61 1321 1076 A 914 CYS HA A 917 LYS HBx 1.0 0.0 4.61 1322 1077 A 890 ASP H A 890 ASP HBx 1.0 0.0 3.45 1323 1077 A 890 ASP H A 890 ASP HBy 1.0 0.0 3.45 1324 1078 A 891 TRP H A 890 ASP HBx 1.0 0.0 3.87 1325 1078 A 891 TRP H A 890 ASP HBy 1.0 0.0 3.87 1326 1079 A 872 GLY H A 871 PRO HBx 1.0 0.0 3.89 1327 1079 A 872 GLY H A 871 PRO HBy 1.0 0.0 3.89 1328 1080 A 913 LYS HGy A 871 PRO HBx 1.0 0.0 5.07 1329 1080 A 913 LYS HGy A 871 PRO HBy 1.0 0.0 5.07 1330 1081 A 858 VAL H A 858 VAL HGy% 1.0 0.0 3.36 1331 1081 A 858 VAL H A 858 VAL HGx% 1.0 0.0 3.36 1332 1082 A 872 GLY H A 871 PRO HGx 1.0 0.0 4.57 1333 1082 A 872 GLY H A 871 PRO HGy 1.0 0.0 4.57 1334 1083 A 859 ILE H A 858 VAL HGy% 1.0 0.0 3.51 1335 1083 A 859 ILE H A 858 VAL HGx% 1.0 0.0 3.51 1336 1084 A 874 ASN H A 874 ASN HBy 1.0 0.0 3.69 1337 1084 A 874 ASN H A 874 ASN HBx 1.0 0.0 3.69 1338 1085 A 859 ILE HA A 858 VAL HGy% 1.0 0.0 4.33 1339 1085 A 859 ILE HA A 858 VAL HGx% 1.0 0.0 4.33 1340 1086 A 874 ASN HBx A 874 ASN HD2y 1.0 0.0 3.18 1341 1086 A 874 ASN HBy A 874 ASN HD2y 1.0 0.0 3.18 1342 1086 A 874 ASN HD2x A 874 ASN HBy 1.0 0.0 3.18 1343 1086 A 874 ASN HBx A 874 ASN HD2x 1.0 0.0 3.18 1344 1087 A 860 ARG H A 858 VAL HGy% 1.0 0.0 4.95 1345 1087 A 860 ARG H A 858 VAL HGx% 1.0 0.0 4.95 1346 1088 A 877 ASP H A 876 PRO HGy 1.0 0.0 4.54 1347 1088 A 877 ASP H A 876 PRO HGx 1.0 0.0 4.54 1348 1089 A 858 VAL HGx% A 860 ARG HGx 1.0 0.0 3.82 1349 1089 A 858 VAL HGy% A 860 ARG HGx 1.0 0.0 3.82 1350 1089 A 860 ARG HGy A 858 VAL HGy% 1.0 0.0 3.82 1351 1089 A 860 ARG HGy A 858 VAL HGx% 1.0 0.0 3.82 1352 1090 A 878 ASP H A 879 GLY HAy 1.0 0.0 4.95 1353 1090 A 878 ASP H A 879 GLY HAx 1.0 0.0 4.95 1354 1091 A 866 GLN HBx A 858 VAL HGy% 1.0 0.0 4.72 1355 1091 A 866 GLN HBx A 858 VAL HGx% 1.0 0.0 4.72 1356 1092 A 880 SER H A 880 SER HBx 1.0 0.0 3.12 1357 1092 A 880 SER HBy A 880 SER H 1.0 0.0 3.12 1358 1093 A 866 GLN HBy A 858 VAL HGy% 1.0 0.0 4.21 1359 1093 A 866 GLN HBy A 858 VAL HGx% 1.0 0.0 4.21 1360 1094 A 880 SER H A 881 PRO HDy 1.0 0.0 4.47 1361 1094 A 881 PRO HDx A 880 SER H 1.0 0.0 4.47 1362 1095 A 858 VAL HGx% A 866 GLN HGx 1.0 0.0 3.68 1363 1095 A 858 VAL HGy% A 866 GLN HGx 1.0 0.0 3.68 1364 1095 A 866 GLN HGy A 858 VAL HGy% 1.0 0.0 3.68 1365 1095 A 858 VAL HGx% A 866 GLN HGy 1.0 0.0 3.68 1366 1096 A 880 SER HA A 881 PRO HGx 1.0 0.0 4.60 1367 1096 A 880 SER HA A 881 PRO HGy 1.0 0.0 4.60 1368 1097 A 858 VAL HGy% A 866 GLN HE2x 1.0 0.0 4.17 1369 1097 A 858 VAL HGx% A 866 GLN HE2x 1.0 0.0 4.17 1370 1097 A 866 GLN HE2y A 858 VAL HGy% 1.0 0.0 4.17 1371 1097 A 858 VAL HGx% A 866 GLN HE2y 1.0 0.0 4.17 1372 1098 A 867 ILE HD1% A 867 ILE HA 1.0 0.0 4.03 1373 1099 A 869 ILE HD1% A 869 ILE HA 1.0 0.0 3.95 1374 1100 A 895 PRO HGx A 893 HIS HBy 1.0 0.0 4.37 1375 1101 A 875 LYS HBy A 875 LYS HDx 1.0 0.0 3.98 1376 1101 A 875 LYS HDy A 875 LYS HBy 1.0 0.0 3.98 1377 1102 A 895 PRO HDy A 894 TRP HBy 1.0 0.0 3.70 1378 1103 A 882 MET HBy A 882 MET HE% 1.0 0.0 4.12 1379 1104 A 881 PRO HDx A 880 SER HBy 1.0 0.0 4.05 1380 1105 A 899 ILE HG1y A 899 ILE HA 1.0 0.0 4.18 1381 1106 A 869 ILE HA A 869 ILE HG1y 1.0 0.0 4.18 1382 1107 A 883 ILE HG2% A 884 GLY HAy 1.0 0.0 4.92 1383 1108 A 914 CYS HA A 917 LYS HEx 1.0 0.0 4.14 1384 1108 A 914 CYS HA A 917 LYS HEy 1.0 0.0 4.14 1385 1109 A 903 PRO HBy A 904 PRO HDy 1.0 0.0 4.28 1386 1110 A 905 GLU HBx A 905 GLU HGx 1.0 0.0 2.86 1387 1110 A 905 GLU HBy A 905 GLU HGx 1.0 0.0 2.86 1388 1110 A 905 GLU HGy A 905 GLU HBx 1.0 0.0 2.86 1389 1110 A 905 GLU HGy A 905 GLU HBy 1.0 0.0 2.86 1390 1111 A 867 ILE HD1% A 866 GLN HA 1.0 0.0 4.82 1391 1112 A 903 PRO HDx A 901 ALA H 1.0 0.0 5.50 1392 1113 A 883 ILE HD1% A 897 VAL HGy% 1.0 0.0 4.43 1393 1114 A 853 MET HA A 853 MET HGx 1.0 0.0 3.87 1394 1114 A 853 MET HA A 853 MET HGy 1.0 0.0 3.87 1395 1115 A 858 VAL HA A 858 VAL HGx% 1.0 0.0 4.18 1396 1116 A 899 ILE HG2% A 903 PRO HDx 1.0 0.0 4.11 1397 1117 A 897 VAL HGy% A 883 ILE HG2% 1.0 0.0 3.17 1398 1118 A 908 GLN H A 908 GLN HGx 1.0 0.0 4.06 1399 1119 A 867 ILE HD1% A 865 ASN HBx 1.0 0.0 4.91 1400 1120 A 883 ILE HD1% A 903 PRO HGx 1.0 0.0 4.44 1401 1121 A 897 VAL HGy% A 896 CYS HBx 1.0 0.0 4.47 1402 1122 A 917 LYS HEy A 917 LYS HBy 1.0 0.0 4.39 1403 1122 A 917 LYS HBy A 917 LYS HEx 1.0 0.0 4.39 1404 1123 A 869 ILE HD1% A 876 PRO HBy 1.0 0.0 4.37 1405 1124 A 899 ILE HG2% A 903 PRO HGx 1.0 0.0 4.74 1406 1125 A 897 VAL HGy% A 897 VAL HA 1.0 0.0 3.91 1407 1126 A 901 ALA HA A 900 MET H 1.0 0.0 5.19 1408 1127 A 876 PRO HBy A 869 ILE HG1x 1.0 0.0 4.72 1409 1128 A 905 GLU H A 904 PRO HGx 1.0 0.0 4.67 1410 1128 A 905 GLU H A 904 PRO HGy 1.0 0.0 4.67 1411 1129 A 897 VAL HGy% A 899 ILE HB 1.0 0.0 4.13 1412 1130 A 904 PRO HBx A 907 MET H 1.0 0.0 3.86 1413 1131 A 871 PRO HDy A 872 GLY H 1.0 0.0 4.16 1414 1132 A 905 GLU HA A 905 GLU HBx 1.0 0.0 2.99 1415 1132 A 905 GLU HBy A 905 GLU HA 1.0 0.0 2.99 1416 1133 A 897 VAL HGy% A 899 ILE HG1y 1.0 0.0 4.06 1417 1134 A 904 PRO HBy A 907 MET H 1.0 0.0 5.05 1418 1135 A 883 ILE HG2% A 896 CYS H 1.0 0.0 5.28 1419 1136 A 915 ALA H A 914 CYS HBx 1.0 0.0 4.11 1420 1137 A 905 GLU HA A 905 GLU HGx 1.0 0.0 3.67 1421 1137 A 905 GLU HGy A 905 GLU HA 1.0 0.0 3.67 1422 1138 A 897 VAL HGy% A 909 TRP HZ2 1.0 0.0 3.56 1423 1139 A 905 GLU H A 907 MET H 1.0 0.0 4.85 1424 1140 A 893 HIS HD2 A 880 SER H 1.0 0.0 5.50 1425 1141 A 915 ALA H A 915 ALA HB% 1.0 0.0 2.78 1426 1142 A 906 GLU HA A 906 GLU HGx 1.0 0.0 4.04 1427 1143 A 899 ILE HA A 899 ILE HG1x 1.0 0.0 4.18 1428 1144 A 910 PHE H A 909 TRP H 1.0 0.0 4.65 1429 1145 A 894 TRP HE1 A 881 PRO HBy 1.0 0.0 4.40 1430 1146 A 915 ALA H A 916 ASN H 1.0 0.0 3.45 1431 1147 A 906 GLU H A 906 GLU HBx 1.0 0.0 4.05 1432 1148 A 894 TRP HBx A 899 ILE HB 1.0 0.0 4.21 1433 1149 A 910 PHE H A 909 TRP HBy 1.0 0.0 4.58 1434 1150 A 892 TYR H A 884 GLY HAy 1.0 0.0 4.28 1435 1151 A 916 ASN H A 916 ASN HBy 1.0 0.0 3.67 1436 1152 A 899 ILE HD1% A 883 ILE HD1% 1.0 0.0 3.49 1437 1153 A 911 CYS H A 909 TRP HH2 1.0 0.0 4.75 1438 1154 A 856 ALA HA A 858 VAL H 1.0 0.0 4.64 1439 1155 A 914 CYS HA A 917 LYS H 1.0 0.0 3.93 1440 1156 A 911 CYS H A 910 PHE HD% 1.0 0.0 4.64 1441 1157 A 858 VAL H A 857 TYR HBy 1.0 0.0 4.75 1442 1158 A 917 LYS H A 915 ALA HB% 1.0 0.0 4.75 1443 1159 A 911 CYS H A 912 PRO HDx 1.0 0.0 4.74 1444 1159 A 911 CYS H A 912 PRO HDy 1.0 0.0 4.74 1445 1160 A 859 ILE H A 860 ARG H 1.0 0.0 4.63 1446 1161 A 917 LYS H A 916 ASN H 1.0 0.0 3.15 1447 1162 A 911 CYS H A 913 LYS H 1.0 0.0 5.08 1448 1163 A 860 ARG H A 860 ARG HDx 1.0 0.0 4.64 1449 1163 A 860 ARG H A 860 ARG HDy 1.0 0.0 4.64 1450 1164 A 917 LYS H A 916 ASN HA 1.0 0.0 3.56 1451 1165 A 861 ASP H A 866 GLN HA 1.0 0.0 5.10 1452 1166 A 917 LYS H A 916 ASN HBx 1.0 0.0 4.16 1453 1167 A 917 LYS H A 916 ASN HBy 1.0 0.0 4.16 1454 1168 A 888 CYS SG A 885 CYS SG 1.0 4.0 4.00 1455 1169 A 911 CYS SG A 885 CYS SG 1.0 4.0 4.00 1456 1170 A 914 CYS SG A 885 CYS SG 1.0 4.0 4.00 1457 1171 A 911 CYS SG A 888 CYS SG 1.0 4.0 4.00 1458 1172 A 914 CYS SG A 888 CYS SG 1.0 4.0 4.00 1459 1173 A 914 CYS SG A 911 CYS SG 1.0 4.0 4.00 1460 1174 A 870 CYS SG A 873 CYS SG 1.0 4.0 4.00 1461 1175 A 870 CYS SG A 893 HIS ND1 1.0 3.8 3.80 1462 1176 A 870 CYS SG A 896 CYS SG 1.0 4.0 4.00 1463 1177 A 873 CYS SG A 893 HIS ND1 1.0 3.8 3.80 1464 1178 A 873 CYS SG A 896 CYS SG 1.0 4.0 4.00 1465 1179 A 896 CYS SG A 893 HIS ND1 1.0 3.8 3.80 1466 1180 A 857 TYR HD% A 857 TYR HBx 1.0 0.0 5.00 1467 1181 A 857 TYR HD% A 857 TYR HBy 1.0 0.0 4.00 1468 1182 A 857 TYR HD% A 857 TYR HE% 1.0 0.0 3.00 1469 1183 A 863 TRP HD1 A 863 TRP HBx 1.0 0.0 5.00 1470 1184 A 863 TRP HBy A 863 TRP HD1 1.0 0.0 5.00 1471 1185 A 863 TRP HE1 A 863 TRP HD1 1.0 0.0 3.00 1472 1186 A 863 TRP HE1 A 863 TRP HZ2 1.0 0.0 5.00 1473 1187 A 863 TRP HZ2 A 863 TRP HH2 1.0 0.0 3.00 1474 1188 A 863 TRP HH2 A 863 TRP HZ3 1.0 0.0 3.00 1475 1189 A 863 TRP HE3 A 863 TRP HZ3 1.0 0.0 3.00 1476 1190 A 868 TRP HD1 A 868 TRP HA 1.0 0.0 5.00 1477 1191 A 868 TRP HD1 A 868 TRP HE1 1.0 0.0 3.00 1478 1192 A 868 TRP HE1 A 868 TRP HZ2 1.0 0.0 5.00 1479 1193 A 868 TRP HZ2 A 868 TRP HH2 1.0 0.0 3.00 1480 1194 A 868 TRP HE3 A 868 TRP HZ3 1.0 0.0 4.00 1481 1195 A 894 TRP HD1 A 883 ILE HB 1.0 0.0 3.00 1482 1196 A 894 TRP HD1 A 883 ILE HG2% 1.0 0.0 3.00 1483 1197 A 909 TRP HE3 A 885 CYS HA 1.0 0.0 3.00 1484 1198 A 887 ASP HBx A 910 PHE HD% 1.0 0.0 4.00 1485 1199 A 891 TRP HD1 A 891 TRP HE1 1.0 0.0 3.00 1486 1200 A 891 TRP HE1 A 891 TRP HZ2 1.0 0.0 5.00 1487 1201 A 891 TRP HZ2 A 891 TRP HH2 1.0 0.0 3.00 1488 1202 A 891 TRP HE3 A 891 TRP HZ3 1.0 0.0 3.00 1489 1203 A 891 TRP HZ3 A 891 TRP HH2 1.0 0.0 3.00 1490 1204 A 893 HIS HE2 A 893 HIS HD2 1.0 0.0 3.00 1491 1205 A 894 TRP HD1 A 894 TRP HA 1.0 0.0 3.00 1492 1206 A 894 TRP HD1 A 894 TRP HE1 1.0 0.0 3.00 1493 1207 A 894 TRP HZ2 A 894 TRP HE1 1.0 0.0 5.00 1494 1208 A 894 TRP HH2 A 894 TRP HZ2 1.0 0.0 3.00 1495 1209 A 894 TRP HE3 A 894 TRP HZ3 1.0 0.0 3.00 1496 1210 A 894 TRP HH2 A 894 TRP HZ3 1.0 0.0 3.00 1497 1211 A 909 TRP HZ2 A 897 VAL HGx% 1.0 0.0 3.00 1498 1212 A 894 TRP HE3 A 900 MET HA 1.0 0.0 5.00 1499 1213 A 909 TRP HD1 A 909 TRP HBy 1.0 0.0 5.00 1500 1214 A 909 TRP HD1 A 909 TRP HE1 1.0 0.0 3.00 1501 1215 A 909 TRP HZ2 A 909 TRP HE1 1.0 0.0 5.00 1502 1216 A 909 TRP HE3 A 909 TRP HZ3 1.0 0.0 4.00 1503 1217 A 909 TRP HZ2 A 909 TRP HH2 1.0 0.0 3.00 1504 1218 A 909 TRP HH2 A 909 TRP HZ3 1.0 0.0 4.00 1505 1219 A 910 PHE HD% A 910 PHE HBx 1.0 0.0 5.00 1506 1220 A 910 PHE HD% A 910 PHE HE% 1.0 0.0 3.00 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 858 VAL C A 859 ILE N A 859 ILE CA A 859 ILE C 1.0 -149.0 -69.0 PHI 2 2 A 859 ILE N A 859 ILE CA A 859 ILE C A 860 ARG N 1.0 96.0 166.0 PSI 3 3 A 859 ILE C A 860 ARG N A 860 ARG CA A 860 ARG C 1.0 -140.0 -68.0 PHI 4 4 A 860 ARG N A 860 ARG CA A 860 ARG C A 861 ASP N 1.0 105.0 177.0 PSI 5 5 A 861 ASP C A 862 GLU N A 862 GLU CA A 862 GLU C 1.0 -111.0 -33.0 PHI 6 6 A 862 GLU N A 862 GLU CA A 862 GLU C A 863 TRP N 1.0 -70.0 26.0 PSI 7 7 A 868 TRP C A 869 ILE N A 869 ILE CA A 869 ILE C 1.0 -154.0 -72.0 PHI 8 8 A 869 ILE N A 869 ILE CA A 869 ILE C A 870 CYS N 1.0 89.0 159.0 PSI 9 9 A 869 ILE C A 870 CYS N A 870 CYS CA A 870 CYS C 1.0 -141.0 -53.0 PHI 10 10 A 870 CYS N A 870 CYS CA A 870 CYS C A 871 PRO N 1.0 98.0 182.0 PSI 11 11 A 874 ASN C A 875 LYS N A 875 LYS CA A 875 LYS C 1.0 -140.0 -74.0 PHI 12 12 A 875 LYS N A 875 LYS CA A 875 LYS C A 876 PRO N 1.0 72.0 182.0 PSI 13 13 A 876 PRO N A 876 PRO CA A 876 PRO C A 877 ASP N 1.0 113.0 173.0 PSI 14 14 A 879 GLY C A 880 SER N A 880 SER CA A 880 SER C 1.0 -139.0 -39.0 PHI 15 15 A 880 SER N A 880 SER CA A 880 SER C A 881 PRO N 1.0 104.0 180.0 PSI 16 16 A 881 PRO C A 882 MET N A 882 MET CA A 882 MET C 1.0 -168.0 -96.0 PHI 17 17 A 882 MET N A 882 MET CA A 882 MET C A 883 ILE N 1.0 115.0 183.0 PSI 18 18 A 882 MET C A 883 ILE N A 883 ILE CA A 883 ILE C 1.0 -176.0 -98.0 PHI 19 19 A 883 ILE N A 883 ILE CA A 883 ILE C A 884 GLY N 1.0 104.0 180.0 PSI 20 20 A 889 ASP C A 890 ASP N A 890 ASP CA A 890 ASP C 1.0 -127.0 -51.0 PHI 21 21 A 890 ASP N A 890 ASP CA A 890 ASP C A 891 TRP N 1.0 89.0 177.0 PSI 22 22 A 890 ASP C A 891 TRP N A 891 TRP CA A 891 TRP C 1.0 -161.0 -71.0 PHI 23 23 A 891 TRP N A 891 TRP CA A 891 TRP C A 892 TYR N 1.0 118.0 184.0 PSI 24 24 A 891 TRP C A 892 TYR N A 892 TYR CA A 892 TYR C 1.0 -162.0 -80.0 PHI 25 25 A 892 TYR N A 892 TYR CA A 892 TYR C A 893 HIS N 1.0 128.0 192.0 PSI 26 26 A 893 HIS C A 894 TRP N A 894 TRP CA A 894 TRP C 1.0 -90.0 -28.0 PHI 27 27 A 894 TRP N A 894 TRP CA A 894 TRP C A 895 PRO N 1.0 -74.0 -18.0 PSI 28 28 A 895 PRO N A 895 PRO CA A 895 PRO C A 896 CYS N 1.0 -62.0 -2.0 PSI 29 29 A 895 PRO C A 896 CYS N A 896 CYS CA A 896 CYS C 1.0 -93.0 -39.0 PHI 30 30 A 896 CYS N A 896 CYS CA A 896 CYS C A 897 VAL N 1.0 -61.0 1.0 PSI 31 31 A 896 CYS C A 897 VAL N A 897 VAL CA A 897 VAL C 1.0 -135.0 -73.0 PHI 32 32 A 897 VAL N A 897 VAL CA A 897 VAL C A 898 GLY N 1.0 -29.0 45.0 PSI 33 33 A 903 PRO N A 903 PRO CA A 903 PRO C A 904 PRO N 1.0 112.0 180.0 PSI 34 34 A 904 PRO C A 905 GLU N A 905 GLU CA A 905 GLU C 1.0 -87.0 -29.0 PHI 35 35 A 907 MET N A 907 MET CA A 907 MET C A 908 GLN N 1.0 77.0 169.0 PSI 36 36 A 909 TRP C A 910 PHE N A 910 PHE CA A 910 PHE C 1.0 -149.0 -81.0 PHI 37 37 A 910 PHE N A 910 PHE CA A 910 PHE C A 911 CYS N 1.0 95.0 163.0 PSI 38 38 A 910 PHE C A 911 CYS N A 911 CYS CA A 911 CYS C 1.0 -125.0 -51.0 PHI 39 39 A 911 CYS N A 911 CYS CA A 911 CYS C A 912 PRO N 1.0 86.0 182.0 PSI 40 40 A 912 PRO C A 913 LYS N A 913 LYS CA A 913 LYS C 1.0 -87.0 -43.0 PHI 41 41 A 913 LYS N A 913 LYS CA A 913 LYS C A 914 CYS N 1.0 -64.0 -18.0 PSI 42 42 A 913 LYS C A 914 CYS N A 914 CYS CA A 914 CYS C 1.0 -89.0 -39.0 PHI 43 43 A 914 CYS N A 914 CYS CA A 914 CYS C A 915 ALA N 1.0 -72.0 -18.0 PSI 44 44 A 914 CYS C A 915 ALA N A 915 ALA CA A 915 ALA C 1.0 -95.0 -37.0 PHI 45 45 A 915 ALA N A 915 ALA CA A 915 ALA C A 916 ASN N 1.0 -64.0 -12.0 PSI 46 46 A 915 ALA C A 916 ASN N A 916 ASN CA A 916 ASN C 1.0 -113.0 -43.0 PHI 47 47 A 916 ASN N A 916 ASN CA A 916 ASN C A 917 LYS N 1.0 -66.0 0.0 PSI 48 48 A 916 ASN C A 917 LYS N A 917 LYS CA A 917 LYS C 1.0 -103.0 -39.0 PHI 49 49 A 917 LYS N A 917 LYS CA A 917 LYS C A 918 ILE N 1.0 -69.0 -3.0 PSI stop_ save_