==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-SEP-00 1FX4 . COMPND 2 MOLECULE: RECEPTOR-TYPE ADENYLATE CYCLASE GRESAG 4.3; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR B.BIEGER,L.O.ESSEN . 231 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11633.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 13 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 0 2 0 0 0 0 1 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 876 A D 0 0 170 0, 0.0 3,-0.0 0, 0.0 151,-0.0 0.000 360.0 360.0 360.0 13.1 30.7 36.4 26.7 2 877 A N > + 0 0 26 2,-0.1 3,-1.8 1,-0.1 53,-0.0 0.368 360.0 101.8-121.0 -1.1 34.2 37.8 26.1 3 878 A D T 3 S+ 0 0 136 1,-0.3 4,-0.1 3,-0.0 -1,-0.1 0.804 85.2 51.4 -57.0 -29.9 36.1 37.1 29.4 4 879 A S T 3 S+ 0 0 32 50,-0.2 65,-0.3 2,-0.1 -1,-0.3 0.536 86.7 107.8 -85.7 -3.7 37.8 34.1 27.9 5 880 A A S < S- 0 0 0 -3,-1.8 2,-0.2 49,-0.1 63,-0.1 -0.570 79.3-116.7 -78.6 127.7 39.0 36.1 24.9 6 881 A P + 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.491 40.6 172.6 -61.9 126.5 42.8 36.8 24.8 7 882 A K + 0 0 72 -2,-0.2 138,-0.1 -4,-0.1 3,-0.1 0.437 40.1 93.6-120.0 -2.2 42.8 40.7 24.9 8 883 A E > - 0 0 130 1,-0.1 3,-1.5 4,-0.1 135,-0.2 -0.848 57.2-153.4-103.2 118.1 46.5 41.7 25.3 9 884 A P T 3 S+ 0 0 94 0, 0.0 134,-0.2 0, 0.0 -1,-0.1 0.785 100.5 50.5 -55.2 -26.1 48.6 42.5 22.2 10 885 A T T 3 S+ 0 0 117 132,-0.1 132,-0.0 2,-0.1 -2,-0.0 0.666 93.5 88.7 -85.8 -16.5 51.7 41.4 24.1 11 886 A G S < S- 0 0 22 -3,-1.5 132,-0.4 132,-0.1 130,-0.1 -0.718 83.2-119.9 -87.8 124.6 50.2 38.1 25.2 12 887 A P - 0 0 76 0, 0.0 2,-0.4 0, 0.0 130,-0.3 -0.298 28.4-147.4 -58.3 143.2 50.7 35.1 22.9 13 888 A V E -A 141 0A 0 128,-3.2 128,-2.3 -4,-0.1 2,-0.6 -0.906 5.1-144.1-117.0 142.4 47.5 33.6 21.7 14 889 A T E -AB 140 68A 2 54,-2.1 54,-2.0 -2,-0.4 2,-0.4 -0.945 20.8-164.0-105.9 122.2 46.8 30.0 20.9 15 890 A L E -AB 139 67A 0 124,-3.1 124,-2.0 -2,-0.6 2,-0.4 -0.879 7.2-164.3-109.3 141.0 44.5 29.6 17.9 16 891 A I E -AB 138 66A 0 50,-3.0 50,-3.0 -2,-0.4 2,-0.4 -0.992 3.6-169.7-123.1 126.0 42.6 26.4 17.0 17 892 A F E -AB 137 65A 25 120,-2.5 120,-2.3 -2,-0.4 2,-0.3 -0.962 9.5-178.5-114.4 137.9 41.0 26.0 13.6 18 893 A T E +AB 136 64A 0 46,-2.2 46,-0.9 -2,-0.4 2,-0.3 -0.936 7.6 173.3-131.3 156.9 38.7 23.0 12.9 19 894 A D E -A 135 0A 37 116,-1.5 116,-2.9 -2,-0.3 2,-0.6 -0.968 36.1-109.5-158.3 151.8 36.8 21.8 9.9 20 895 A I E > -A 134 0A 2 -2,-0.3 3,-1.4 114,-0.2 114,-0.2 -0.753 40.1-121.4 -85.5 123.0 34.7 18.8 9.1 21 896 A E T 3 S- 0 0 28 112,-3.5 112,-0.4 -2,-0.6 5,-0.1 -0.420 88.7 -4.7 -66.1 134.4 36.5 16.6 6.6 22 897 A S T 3> S+ 0 0 41 -2,-0.1 4,-2.1 1,-0.1 -1,-0.3 0.746 81.9 149.8 55.9 30.9 34.6 16.1 3.4 23 898 A S H <> + 0 0 14 -3,-1.4 4,-2.7 1,-0.2 5,-0.2 0.883 68.4 55.9 -62.7 -35.9 31.6 17.9 4.7 24 899 A T H > S+ 0 0 120 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.966 110.8 43.5 -59.5 -49.4 30.6 19.1 1.2 25 900 A A H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.827 113.7 52.2 -65.1 -33.2 30.5 15.5 -0.1 26 901 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.888 107.1 52.0 -69.8 -39.3 28.7 14.3 3.0 27 902 A W H < S+ 0 0 101 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.889 112.1 47.4 -63.0 -37.6 26.1 17.1 2.5 28 903 A A H < S+ 0 0 86 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.922 119.0 38.6 -69.7 -43.9 25.6 15.8 -1.0 29 904 A A H < S+ 0 0 50 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.798 129.5 28.0 -78.9 -28.2 25.4 12.2 -0.0 30 905 A H >X + 0 0 29 -4,-3.1 4,-2.7 -5,-0.2 3,-1.9 -0.374 57.3 154.2-135.9 63.6 23.3 12.6 3.2 31 906 A P T 34 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.754 83.3 54.5 -60.2 -20.4 21.1 15.8 3.1 32 907 A D T 34 S+ 0 0 114 -3,-0.1 4,-0.2 2,-0.1 -2,-0.1 0.585 116.1 33.8 -88.1 -17.0 18.9 13.9 5.6 33 908 A L T <> S+ 0 0 40 -3,-1.9 4,-2.2 -7,-0.2 3,-0.2 0.724 103.6 69.8-108.4 -33.8 21.7 13.2 8.2 34 909 A M H X S+ 0 0 0 -4,-2.7 4,-3.0 -8,-0.2 5,-0.3 0.824 89.1 58.8 -59.7 -40.6 23.9 16.2 7.9 35 910 A P H > S+ 0 0 61 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.949 115.8 37.7 -56.0 -45.0 21.8 19.0 9.5 36 911 A D H > S+ 0 0 115 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.884 116.3 51.3 -70.9 -43.1 21.5 17.0 12.7 37 912 A A H X S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.926 113.6 44.8 -62.6 -43.1 25.1 15.7 12.6 38 913 A V H X S+ 0 0 19 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.866 110.9 53.4 -69.6 -35.7 26.5 19.2 12.1 39 914 A A H X S+ 0 0 41 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.907 111.0 47.2 -64.5 -39.2 24.2 20.6 14.8 40 915 A T H X S+ 0 0 23 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.934 109.1 55.0 -65.4 -44.4 25.6 17.9 17.2 41 916 A H H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.925 109.1 47.4 -54.0 -48.4 29.1 18.8 16.1 42 917 A H H X S+ 0 0 30 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.890 111.9 49.6 -63.1 -41.3 28.5 22.5 17.0 43 918 A R H X S+ 0 0 148 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.919 111.9 48.1 -64.4 -43.5 27.0 21.5 20.4 44 919 A L H X S+ 0 0 35 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.947 114.2 46.0 -62.3 -48.9 29.9 19.2 21.2 45 920 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.906 111.2 51.5 -62.7 -41.3 32.5 21.8 20.3 46 921 A R H X S+ 0 0 97 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.846 107.2 54.0 -65.7 -30.8 30.8 24.6 22.1 47 922 A S H X S+ 0 0 78 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.871 111.0 46.7 -67.3 -38.6 30.7 22.5 25.3 48 923 A L H X S+ 0 0 4 -4,-1.6 4,-2.7 2,-0.2 6,-0.3 0.877 107.7 55.2 -69.7 -42.0 34.4 21.9 25.0 49 924 A I H <>S+ 0 0 10 -4,-2.4 5,-2.4 2,-0.2 -2,-0.2 0.942 113.7 42.4 -55.5 -46.4 35.1 25.6 24.4 50 925 A T H ><5S+ 0 0 109 -4,-2.1 3,-1.5 3,-0.2 -2,-0.2 0.950 113.0 52.5 -66.6 -46.7 33.2 26.4 27.6 51 926 A R H 3<5S+ 0 0 144 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.868 115.9 39.1 -58.2 -39.0 34.9 23.5 29.5 52 927 A Y T 3<5S- 0 0 31 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.267 109.8-119.9 -99.0 15.5 38.4 24.6 28.6 53 928 A E T < 5 + 0 0 157 -3,-1.5 16,-0.4 -4,-0.2 -3,-0.2 0.799 63.3 146.0 50.9 36.1 37.6 28.3 29.0 54 929 A C < - 0 0 4 -5,-2.4 2,-0.4 -6,-0.3 14,-0.2 -0.272 46.7-115.9 -88.1-177.0 38.5 29.0 25.4 55 930 A Y E -C 67 0A 17 12,-2.9 12,-2.8 -51,-0.2 2,-0.8 -0.980 9.7-136.5-131.1 124.5 36.8 31.6 23.2 56 931 A E E +C 66 0A 54 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.683 23.2 179.6 -78.2 110.6 34.8 31.0 20.1 57 932 A V E - 0 0 22 8,-2.4 2,-0.3 -2,-0.8 -1,-0.2 0.955 58.8 -37.7 -76.2 -52.1 36.0 33.7 17.6 58 933 A K E -C 65 0A 68 7,-1.2 7,-2.0 2,-0.0 2,-0.4 -0.987 44.1-128.1-167.1 167.9 33.8 32.7 14.7 59 934 A T E -C 64 0A 50 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.966 17.4-174.9-126.0 131.8 32.1 29.9 12.8 60 935 A V E > -C 63 0A 97 3,-2.3 3,-2.1 -2,-0.4 2,-0.2 -0.898 69.2 -49.3-131.5 102.1 32.4 29.7 9.0 61 936 A G T 3 S- 0 0 65 -2,-0.4 -42,-0.0 1,-0.3 -1,-0.0 -0.533 123.6 -25.2 68.3-129.5 30.3 26.9 7.6 62 937 A D T 3 S+ 0 0 17 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.179 117.3 110.1 -99.2 18.4 31.2 23.9 9.8 63 938 A S E < - C 0 60A 18 -3,-2.1 -3,-2.3 -44,-0.2 2,-0.4 -0.752 53.2-156.2 -94.7 138.5 34.6 25.4 10.6 64 939 A F E -BC 18 59A 0 -46,-0.9 -46,-2.2 -2,-0.4 2,-0.5 -0.893 7.9-161.4-113.9 144.4 35.4 26.8 14.1 65 940 A M E -BC 17 58A 7 -7,-2.0 -8,-2.4 -2,-0.4 -7,-1.2 -0.996 20.6-178.5-121.5 119.4 38.0 29.4 15.0 66 941 A I E -BC 16 56A 0 -50,-3.0 -50,-3.0 -2,-0.5 2,-0.3 -0.955 12.2-159.7-124.3 139.9 38.9 29.2 18.7 67 942 A A E -BC 15 55A 0 -12,-2.8 -12,-2.9 -2,-0.4 2,-0.3 -0.907 8.3-171.2-117.6 149.3 41.3 31.3 20.7 68 943 A S E -B 14 0A 2 -54,-2.0 -54,-2.1 -2,-0.3 -14,-0.1 -0.999 28.7-151.2-142.9 140.3 42.8 30.4 24.1 69 944 A K S S+ 0 0 114 -16,-0.4 -1,-0.1 -2,-0.3 -15,-0.1 0.638 93.1 60.4 -79.1 -15.7 44.8 32.3 26.7 70 945 A S > - 0 0 46 1,-0.1 4,-1.7 -56,-0.1 5,-0.1 -0.956 66.9-157.7-120.1 121.0 46.4 28.9 27.5 71 946 A P H > S+ 0 0 32 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.916 98.3 50.6 -59.9 -41.6 48.3 26.7 25.1 72 947 A F H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.870 106.0 53.2 -66.0 -38.9 47.6 23.6 27.2 73 948 A A H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.876 108.4 52.9 -63.9 -35.3 43.8 24.3 27.4 74 949 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.914 110.5 46.0 -65.8 -42.0 43.8 24.5 23.6 75 950 A V H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.896 111.9 50.9 -68.7 -40.5 45.5 21.1 23.3 76 951 A Q H X S+ 0 0 72 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.910 109.6 51.6 -62.2 -43.5 43.2 19.5 25.9 77 952 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.941 110.6 47.8 -59.2 -47.8 40.2 20.8 24.0 78 953 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.888 113.6 47.5 -61.3 -40.9 41.5 19.4 20.7 79 954 A Q H X S+ 0 0 53 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.935 113.9 46.2 -67.1 -44.6 42.2 16.0 22.3 80 955 A E H X S+ 0 0 37 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.841 106.8 60.8 -68.1 -30.5 38.8 15.9 24.0 81 956 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.976 106.9 44.0 -59.4 -54.2 37.2 16.9 20.7 82 957 A Q H X S+ 0 0 3 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.912 117.1 46.4 -57.8 -42.7 38.6 13.8 18.9 83 958 A L H X S+ 0 0 21 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.900 112.1 49.6 -66.9 -42.4 37.6 11.5 21.8 84 959 A C H X S+ 0 0 33 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.940 112.3 47.4 -63.1 -47.2 34.1 13.0 22.2 85 960 A F H < S+ 0 0 4 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.872 113.1 49.9 -63.1 -35.7 33.3 12.7 18.5 86 961 A L H < S+ 0 0 19 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.908 114.3 43.8 -69.1 -41.0 34.6 9.1 18.5 87 962 A R H < S+ 0 0 175 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.749 90.6 102.0 -79.2 -23.1 32.5 8.1 21.6 88 963 A L S < S- 0 0 49 -4,-2.0 2,-0.9 -5,-0.2 3,-0.0 -0.285 74.7-125.8 -64.5 141.6 29.3 9.8 20.6 89 964 A D - 0 0 122 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.826 24.0-172.7 -88.5 107.3 26.5 7.6 19.1 90 965 A W - 0 0 22 -2,-0.9 -1,-0.2 2,-0.2 3,-0.1 0.517 33.8-128.6 -77.7 -8.0 25.8 9.4 15.9 91 966 A E S S+ 0 0 169 1,-0.1 2,-0.3 -3,-0.0 -2,-0.1 0.779 80.5 68.7 64.0 29.7 22.8 7.1 15.3 92 967 A T - 0 0 41 1,-0.1 -2,-0.2 2,-0.0 4,-0.2 -0.944 57.1-159.7-169.1 147.6 23.9 6.2 11.8 93 968 A N S > S+ 0 0 82 -2,-0.3 4,-2.3 2,-0.1 5,-0.2 0.390 76.9 95.5-109.8 -0.2 26.7 4.3 10.1 94 969 A A H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.797 79.5 53.5 -59.2 -35.4 26.2 6.2 6.9 95 970 A V H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.915 111.0 46.0 -68.4 -42.9 28.9 8.9 7.6 96 971 A D H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.909 110.6 52.9 -67.3 -39.1 31.5 6.2 8.2 97 972 A E H X S+ 0 0 93 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.931 110.8 48.2 -61.4 -43.7 30.5 4.3 5.1 98 973 A S H X S+ 0 0 3 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.933 109.0 52.3 -63.0 -45.5 30.8 7.5 3.1 99 974 A Y H X S+ 0 0 3 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.913 110.9 48.1 -57.7 -41.5 34.3 8.2 4.6 100 975 A R H X S+ 0 0 61 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.937 111.1 50.8 -65.9 -40.0 35.4 4.7 3.6 101 976 A E H X S+ 0 0 91 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.903 106.9 54.4 -61.3 -44.8 34.0 5.2 0.1 102 977 A F H X S+ 0 0 38 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.888 108.7 48.8 -57.9 -40.5 35.8 8.5 -0.3 103 978 A E H X S+ 0 0 11 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.920 112.6 47.9 -65.1 -44.3 39.1 6.9 0.6 104 979 A E H X S+ 0 0 105 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.919 111.8 49.5 -63.3 -41.8 38.5 4.1 -1.9 105 980 A Q H X S+ 0 0 101 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.885 113.6 47.0 -63.7 -39.8 37.5 6.6 -4.6 106 981 A R H X S+ 0 0 95 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.850 108.8 55.8 -71.3 -33.8 40.7 8.6 -3.9 107 982 A A H >< S+ 0 0 30 -4,-2.3 3,-0.6 2,-0.2 -2,-0.2 0.899 105.6 48.5 -66.5 -45.2 42.9 5.4 -3.9 108 983 A E H 3< S+ 0 0 170 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.877 117.3 42.9 -64.8 -35.3 41.9 4.2 -7.4 109 984 A G H 3< S+ 0 0 69 -4,-1.2 2,-0.4 -5,-0.2 -1,-0.2 0.460 109.8 60.2 -91.2 -4.6 42.5 7.6 -9.0 110 985 A E S << S- 0 0 79 -4,-0.7 2,-0.3 -3,-0.6 3,-0.2 -0.992 70.1-145.1-127.1 128.3 45.7 8.5 -7.2 111 986 A C S S+ 0 0 136 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.701 86.7 28.3 -85.6 144.9 49.0 6.6 -7.4 112 987 A E S S+ 0 0 82 -2,-0.3 2,-0.2 1,-0.2 -1,-0.2 0.999 95.6 98.3 65.2 70.4 50.8 6.7 -4.1 113 988 A Y - 0 0 33 -3,-0.2 -1,-0.2 -6,-0.1 -3,-0.1 -0.706 49.6-164.9-179.0 133.0 48.0 7.1 -1.6 114 989 A T - 0 0 109 -2,-0.2 -10,-0.1 -3,-0.1 -3,-0.0 -0.965 34.1 -98.9-131.9 141.8 46.5 4.3 0.4 115 990 A P - 0 0 28 0, 0.0 4,-0.4 0, 0.0 109,-0.0 -0.471 29.1-158.0 -61.0 119.5 43.2 4.3 2.4 116 991 A P S S+ 0 0 21 0, 0.0 107,-0.4 0, 0.0 -16,-0.1 0.579 86.2 11.9 -76.8 -9.8 44.1 5.0 6.0 117 992 A T S > S+ 0 0 0 -18,-0.1 3,-1.7 -17,-0.1 -17,-0.1 0.546 108.4 76.3-136.5 -26.8 40.8 3.5 7.4 118 993 A A T 3 S+ 0 0 20 1,-0.3 -18,-0.1 -19,-0.1 7,-0.0 0.653 96.2 55.6 -66.2 -14.3 38.9 1.6 4.7 119 994 A S T 3 S+ 0 0 98 -4,-0.4 -1,-0.3 2,-0.1 2,-0.2 0.377 84.6 106.5 -98.2 3.4 41.4 -1.3 5.0 120 995 A L S < S- 0 0 47 -3,-1.7 -3,-0.1 1,-0.1 0, 0.0 -0.513 81.8-104.2 -79.1 148.4 40.8 -1.7 8.7 121 996 A D > - 0 0 108 -2,-0.2 4,-2.9 1,-0.1 3,-0.4 -0.459 38.5-106.8 -68.4 149.8 38.8 -4.8 9.9 122 997 A P H > S+ 0 0 93 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.861 118.6 43.2 -43.1 -54.0 35.2 -3.8 10.9 123 998 A E H > S+ 0 0 140 1,-0.2 4,-0.6 2,-0.2 -3,-0.0 0.823 115.6 49.8 -65.9 -34.7 35.6 -4.2 14.6 124 999 A V H >> S+ 0 0 72 -3,-0.4 4,-0.8 2,-0.2 3,-0.6 0.890 108.1 54.0 -70.9 -40.8 39.0 -2.4 14.5 125 1000 A Y H >X S+ 0 0 8 -4,-2.9 4,-2.7 1,-0.2 3,-1.3 0.933 105.8 51.7 -59.9 -47.7 37.6 0.5 12.5 126 1001 A S H 3< S+ 0 0 76 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.661 102.3 59.5 -69.6 -13.0 34.9 1.2 15.0 127 1002 A R H << S+ 0 0 198 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.747 121.8 25.6 -84.3 -17.3 37.3 1.3 17.9 128 1003 A L H << S+ 0 0 24 -3,-1.3 2,-0.4 -4,-0.8 -2,-0.2 0.620 122.9 40.9-118.3 -21.8 39.1 4.2 16.1 129 1004 A W < + 0 0 4 -4,-2.7 -1,-0.2 -5,-0.1 2,-0.2 -0.998 53.1 148.3-136.9 139.6 36.6 5.9 13.9 130 1005 A N - 0 0 41 -2,-0.4 -42,-0.2 2,-0.2 2,-0.1 -0.807 55.3 -23.2-171.3 117.3 33.0 6.9 14.3 131 1006 A G S S+ 0 0 1 -2,-0.2 -1,-0.1 -39,-0.1 -45,-0.1 -0.374 105.2 10.7 83.3-158.5 30.9 9.8 12.9 132 1007 A L - 0 0 5 -47,-0.1 2,-0.6 -2,-0.1 -2,-0.2 -0.309 67.8-138.7 -59.9 135.2 32.1 13.1 11.6 133 1008 A R - 0 0 10 -112,-0.4 -112,-3.5 -4,-0.1 2,-0.5 -0.891 17.5-162.2-102.3 119.1 35.8 13.5 11.2 134 1009 A V E -A 20 0A 0 -2,-0.6 40,-1.3 -114,-0.2 2,-0.4 -0.841 6.9-150.4-104.8 128.0 37.2 16.8 12.3 135 1010 A R E -A 19 0A 15 -116,-2.9 -116,-1.5 -2,-0.5 2,-0.4 -0.785 18.4-165.3 -93.6 142.1 40.6 18.1 11.3 136 1011 A V E -Ad 18 176A 0 39,-2.3 41,-2.7 -2,-0.4 2,-0.4 -0.995 13.0-173.6-135.3 134.8 42.3 20.4 13.8 137 1012 A G E -Ad 17 177A 0 -120,-2.3 -120,-2.5 -2,-0.4 2,-0.4 -0.984 7.8-168.3-126.2 139.7 45.2 22.7 13.5 138 1013 A I E +Ad 16 178A 0 39,-2.3 41,-2.1 -2,-0.4 2,-0.3 -0.991 10.6 166.1-132.7 134.7 46.8 24.5 16.5 139 1014 A H E -A 15 0A 20 -124,-2.0 -124,-3.1 -2,-0.4 2,-0.4 -0.995 18.1-152.0-146.5 148.1 49.3 27.4 16.6 140 1015 A T E +A 14 0A 9 -2,-0.3 2,-0.3 -126,-0.2 -126,-0.2 -0.955 36.6 111.2-123.5 138.4 50.6 29.8 19.2 141 1016 A G E -A 13 0A 16 -128,-2.3 -128,-3.2 -2,-0.4 2,-0.2 -0.962 66.7 -62.5 175.2 170.6 52.0 33.3 18.6 142 1017 A L - 0 0 95 -2,-0.3 18,-0.4 -130,-0.3 2,-0.3 -0.562 55.8-163.5 -71.9 140.2 51.5 37.0 19.1 143 1018 A C - 0 0 8 -132,-0.4 2,-0.9 -2,-0.2 15,-0.2 -0.874 29.4-114.3-124.9 158.8 48.4 38.3 17.2 144 1019 A D E -G 157 0B 110 13,-2.3 13,-2.6 -2,-0.3 2,-0.5 -0.846 43.9-151.3 -88.9 110.2 46.9 41.5 16.0 145 1020 A I E -G 156 0B 38 -2,-0.9 2,-0.4 11,-0.2 11,-0.2 -0.787 12.0-165.3 -90.7 129.8 43.9 41.6 18.2 146 1021 A R E -G 155 0B 135 9,-2.9 9,-2.9 -2,-0.5 2,-0.4 -0.959 5.4-154.1-120.3 133.1 40.7 43.4 17.0 147 1022 A Y E -G 154 0B 131 -2,-0.4 2,-0.6 7,-0.2 7,-0.2 -0.818 7.0-147.5-103.7 140.6 37.7 44.4 19.1 148 1023 A D > - 0 0 68 5,-2.8 4,-1.1 -2,-0.4 5,-0.1 -0.957 4.2-164.0-110.0 121.7 34.3 44.8 17.6 149 1024 A E T 4 S+ 0 0 172 -2,-0.6 -1,-0.1 2,-0.2 0, 0.0 0.875 88.0 51.0 -70.7 -37.4 32.2 47.5 19.3 150 1025 A V T 4 S+ 0 0 124 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.864 124.5 24.2 -70.4 -41.0 28.9 46.2 17.7 151 1026 A T T 4 S- 0 0 86 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.556 96.6-131.4 -98.7 -14.8 29.2 42.5 18.6 152 1027 A K < + 0 0 29 -4,-1.1 -3,-0.2 1,-0.2 2,-0.1 0.587 63.8 138.3 69.6 14.9 31.5 43.1 21.6 153 1028 A G - 0 0 11 -5,-0.1 -5,-2.8 -6,-0.1 2,-0.4 -0.368 49.8-133.5 -92.0 165.2 33.6 40.3 20.1 154 1029 A Y E -G 147 0B 45 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.920 19.0-172.8-116.8 142.7 37.3 39.8 19.6 155 1030 A D E -G 146 0B 26 -9,-2.9 -9,-2.9 -2,-0.4 2,-0.4 -0.891 14.2-139.8-130.3 162.3 39.0 38.7 16.4 156 1031 A Y E +G 145 0B 1 -2,-0.3 2,-0.2 -11,-0.2 -11,-0.2 -0.982 23.7 170.4-131.5 121.3 42.6 37.7 15.6 157 1032 A Y E +G 144 0B 86 -13,-2.6 -13,-2.3 -2,-0.4 3,-0.2 -0.734 29.4 66.4-122.4 171.2 44.5 38.7 12.4 158 1033 A G S > S- 0 0 27 -2,-0.2 4,-2.1 1,-0.2 3,-0.4 -0.487 97.6 -46.8 109.0 178.1 48.0 38.5 11.2 159 1034 A R H > S+ 0 0 208 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.811 130.1 61.0 -57.3 -31.7 50.5 35.7 10.3 160 1035 A T H > S+ 0 0 18 -18,-0.4 4,-2.0 -3,-0.2 -1,-0.2 0.926 107.5 42.7 -62.9 -46.5 49.7 33.9 13.6 161 1036 A S H > S+ 0 0 10 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.920 115.7 49.7 -65.9 -41.9 46.0 33.4 12.6 162 1037 A N H X S+ 0 0 74 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.845 109.2 52.7 -65.8 -34.0 47.0 32.5 9.0 163 1038 A M H X S+ 0 0 29 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.907 109.5 47.9 -67.3 -43.5 49.6 30.0 10.4 164 1039 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -147,-0.3 0.915 112.8 50.0 -62.9 -42.2 46.9 28.3 12.5 165 1040 A A H X S+ 0 0 30 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.911 111.3 46.5 -64.2 -45.3 44.5 28.2 9.5 166 1041 A R H X S+ 0 0 40 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.832 108.9 56.3 -70.6 -24.8 47.1 26.7 7.2 167 1042 A T H X S+ 0 0 0 -4,-1.8 4,-0.7 1,-0.2 3,-0.4 0.937 109.4 46.1 -70.1 -42.8 48.0 24.1 9.8 168 1043 A E H >< S+ 0 0 17 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.913 106.1 60.9 -64.1 -41.1 44.4 23.0 10.0 169 1044 A S H 3< S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.826 106.3 45.5 -59.2 -30.1 44.2 22.9 6.2 170 1045 A V H 3< S+ 0 0 7 -4,-1.3 58,-2.5 -3,-0.4 -1,-0.3 0.599 93.6 98.2 -89.6 -10.4 46.9 20.3 6.0 171 1046 A A << - 0 0 0 -3,-1.2 2,-0.1 -4,-0.7 -36,-0.1 -0.481 69.9-131.3 -77.5 147.2 45.5 18.1 8.8 172 1047 A N > - 0 0 8 -2,-0.1 3,-2.0 53,-0.1 -36,-0.4 -0.425 41.0 -72.1 -89.4 170.0 43.4 15.1 7.8 173 1048 A G T 3 S+ 0 0 2 1,-0.3 -38,-0.2 -38,-0.1 -1,-0.1 -0.438 123.9 16.3 -65.0 133.3 40.0 14.3 9.3 174 1049 A G T 3 S+ 0 0 4 -40,-1.3 2,-0.3 1,-0.3 -1,-0.3 0.456 104.1 118.0 83.1 1.3 40.4 13.0 12.9 175 1050 A Q < - 0 0 3 -3,-2.0 -39,-2.3 -41,-0.1 2,-0.5 -0.779 49.5-157.9-105.8 143.4 43.9 14.4 13.0 176 1051 A V E -d 136 0A 2 40,-0.5 40,-2.2 -2,-0.3 2,-0.4 -0.986 12.3-169.5-121.4 119.4 45.2 17.1 15.4 177 1052 A L E -dE 137 215A 0 -41,-2.7 -39,-2.3 -2,-0.5 2,-0.4 -0.922 5.5-170.7-112.4 138.6 48.3 19.1 14.3 178 1053 A M E -dE 138 214A 0 36,-2.8 36,-2.7 -2,-0.4 -39,-0.2 -0.975 21.3-129.3-123.8 137.9 50.3 21.4 16.4 179 1054 A T E > - E 0 213A 2 -41,-2.1 4,-2.9 -2,-0.4 5,-0.2 -0.378 32.4-104.8 -76.9 166.1 53.0 23.7 15.0 180 1055 A H H > S+ 0 0 53 32,-1.3 4,-3.2 1,-0.2 5,-0.2 0.910 123.2 56.4 -56.5 -41.2 56.4 23.6 16.8 181 1056 A A H 4 S+ 0 0 39 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.890 110.5 42.0 -59.6 -42.9 55.5 27.0 18.3 182 1057 A A H >> S+ 0 0 2 -44,-0.3 3,-1.1 2,-0.2 4,-0.7 0.954 115.5 49.8 -68.5 -49.9 52.3 25.7 19.8 183 1058 A Y H >< S+ 0 0 43 -4,-2.9 3,-1.0 1,-0.3 -2,-0.2 0.916 114.5 44.4 -55.7 -45.6 54.0 22.4 21.0 184 1059 A M T 3< S+ 0 0 87 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.543 99.8 70.8 -79.2 -6.2 56.9 24.4 22.6 185 1060 A S T <4 S+ 0 0 53 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.680 85.8 84.5 -78.0 -23.0 54.5 26.9 24.1 186 1061 A L S << S- 0 0 5 -3,-1.0 2,-0.1 -4,-0.7 -116,-0.0 -0.452 94.2-105.2 -74.5 155.4 53.4 24.1 26.5 187 1062 A S > - 0 0 56 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.377 31.3-107.8 -75.7 163.0 55.5 23.6 29.5 188 1063 A G H > S+ 0 0 30 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.883 122.5 52.2 -58.8 -37.4 57.9 20.6 29.6 189 1064 A E H > S+ 0 0 147 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.896 108.0 50.8 -64.8 -43.3 55.6 18.9 32.1 190 1065 A D H >4 S+ 0 0 32 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.906 107.3 53.7 -63.1 -41.2 52.5 19.5 29.9 191 1066 A R H >< S+ 0 0 51 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.852 104.4 55.4 -63.0 -34.5 54.3 18.0 26.9 192 1067 A N H 3< S+ 0 0 140 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.652 99.5 60.5 -74.5 -15.3 55.1 14.8 28.8 193 1068 A Q T << S+ 0 0 124 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 0.533 98.9 78.3 -86.5 -6.4 51.4 14.4 29.6 194 1069 A L S < S- 0 0 26 -3,-1.1 2,-0.7 -4,-0.3 24,-0.0 -0.724 75.0-135.0-107.1 153.4 50.7 14.1 25.9 195 1070 A D + 0 0 84 -2,-0.3 22,-2.8 22,-0.1 2,-0.3 -0.930 41.5 170.2-104.2 110.2 51.1 11.4 23.3 196 1071 A V E -F 216 0A 32 -2,-0.7 2,-0.4 20,-0.2 20,-0.2 -0.945 27.0-155.8-128.9 148.2 52.6 13.1 20.3 197 1072 A T E -F 215 0A 60 18,-2.8 18,-3.5 -2,-0.3 2,-0.4 -0.986 22.2-129.8-122.5 126.9 54.2 12.0 17.0 198 1073 A T E -F 214 0A 103 -2,-0.4 16,-0.2 16,-0.2 14,-0.0 -0.629 22.1-178.2 -76.5 130.7 56.7 14.2 15.2 199 1074 A L E - 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