==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-MAY-11 3S5K . COMPND 2 MOLECULE: FALCILYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR E.MORGUNOVA,M.PONPUAK,E.ISTVAN,A.POPOV,D.GOLDBERG,T.ENEQVIST . 1053 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 767 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 4 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 . 1 0.1 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 . 79 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 362 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.9 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 2 2 3 3 4 4 4 6 2 3 1 3 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 1 1 1 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 . 7 2 1 2 3 2 2 1 2 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 1 1 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 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 60 A W > 0 0 108 0, 0.0 3,-0.9 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -13.8 77.6 -14.5 1.9 2 61 A I T 3 + 0 0 53 1,-0.2 41,-0.1 2,-0.1 3,-0.0 0.331 360.0 66.7 -93.4 8.7 76.0 -13.8 -1.4 3 62 A H T 3 S+ 0 0 140 1,-0.1 -1,-0.2 2,-0.1 0, 0.0 0.185 93.2 58.6-109.4 13.3 76.5 -17.2 -2.8 4 63 A E S < S+ 0 0 116 -3,-0.9 -2,-0.1 1,-0.1 -1,-0.1 0.264 96.3 60.4-113.7 1.5 74.2 -18.9 -0.3 5 64 A K S S+ 0 0 11 1,-0.2 38,-0.1 231,-0.1 -2,-0.1 0.260 108.9 53.0 -95.4 0.0 71.4 -16.8 -1.5 6 65 A S S S+ 0 0 9 36,-0.1 -1,-0.2 11,-0.0 230,-0.1 -0.454 79.3 164.6-134.4 69.0 72.3 -18.6 -4.6 7 66 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.286 33.8-109.9 -79.1-164.8 72.4 -22.3 -4.0 8 67 A K - 0 0 180 -4,-0.1 2,-0.4 5,-0.0 5,-0.1 -0.994 23.2-150.5-136.4 140.4 72.3 -25.1 -6.5 9 68 A H > - 0 0 15 -2,-0.4 3,-1.4 3,-0.2 5,-0.1 -0.935 19.8-143.5-122.5 135.2 69.5 -27.5 -7.2 10 69 A N T 3 S+ 0 0 142 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.772 110.1 33.4 -60.7 -22.1 69.6 -31.1 -8.4 11 70 A S T 3 S+ 0 0 36 22,-0.0 22,-2.4 -3,-0.0 23,-0.4 0.315 113.3 59.9-115.5 3.9 66.6 -30.1 -10.4 12 71 A Y E < -A 32 0A 14 -3,-1.4 2,-0.4 20,-0.2 20,-0.2 -0.684 66.0-128.2-132.8 174.7 67.0 -26.5 -11.3 13 72 A D E -A 31 0A 79 18,-1.1 2,-2.2 -2,-0.2 18,-1.5 -0.990 11.5-140.7-130.2 127.3 69.3 -24.3 -13.3 14 73 A I E + 0 0 44 -2,-0.4 16,-0.2 16,-0.2 3,-0.2 -0.572 35.3 170.4 -85.8 84.7 70.9 -21.1 -12.1 15 74 A I E + 0 0 76 -2,-2.2 2,-0.4 1,-0.2 -1,-0.2 0.866 62.8 9.0 -64.0 -43.4 70.4 -19.5 -15.4 16 75 A E E -A 29 0A 96 13,-0.7 13,-1.4 -3,-0.2 2,-0.4 -0.922 66.2-175.9-142.2 122.5 71.3 -16.0 -14.6 17 76 A K E +A 28 0A 118 -2,-0.4 11,-0.2 -3,-0.2 2,-0.2 -0.977 14.3 154.5-127.1 130.3 72.8 -14.8 -11.4 18 77 A R - 0 0 65 9,-2.6 9,-0.5 -2,-0.4 2,-0.3 -0.661 23.7-146.5-139.0 173.7 73.5 -11.2 -10.5 19 78 A Y - 0 0 85 7,-0.2 2,-0.5 -2,-0.2 7,-0.2 -0.984 10.8-135.5-150.7 151.1 73.9 -9.0 -7.4 20 79 A N B >> -B 25 0A 6 5,-2.7 4,-1.3 -2,-0.3 5,-0.9 -0.887 10.6-170.4-123.4 117.4 73.1 -5.4 -6.6 21 80 A E T 45S+ 0 0 120 -2,-0.5 3,-0.2 1,-0.2 -1,-0.2 0.889 86.4 60.0 -61.5 -39.8 75.3 -3.0 -4.8 22 81 A E T 45S+ 0 0 40 1,-0.3 -1,-0.2 2,-0.1 420,-0.1 0.895 123.7 17.7 -62.5 -48.0 72.6 -0.4 -4.4 23 82 A F T 45S- 0 0 13 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.269 98.5-129.3-103.7 3.2 70.2 -2.5 -2.4 24 83 A K T <5 + 0 0 96 -4,-1.3 21,-0.6 1,-0.2 2,-0.3 0.918 65.8 124.6 51.4 51.7 72.7 -5.1 -1.4 25 84 A M E < -BC 20 44A 5 -5,-0.9 -5,-2.7 19,-0.1 2,-0.5 -0.971 56.4-123.7-142.3 156.6 70.4 -7.9 -2.5 26 85 A T E - C 0 43A 1 17,-1.3 17,-1.5 -2,-0.3 2,-0.6 -0.885 7.0-151.2-114.9 130.5 71.0 -10.7 -4.9 27 86 A Y E + C 0 42A 15 -9,-0.5 -9,-2.6 -2,-0.5 2,-0.4 -0.849 21.9 174.2 -98.1 115.1 69.0 -11.6 -8.0 28 87 A T E -AC 17 41A 0 13,-1.8 13,-0.9 -2,-0.6 -11,-0.2 -0.655 11.2-164.5-130.6 80.9 69.2 -15.3 -8.6 29 88 A V E -AC 16 40A 9 -13,-1.4 -13,-0.7 -2,-0.4 2,-0.3 -0.263 8.9-171.6 -64.7 145.5 67.0 -16.7 -11.4 30 89 A Y E - C 0 39A 1 9,-2.5 9,-1.5 -16,-0.2 2,-0.4 -0.962 9.8-154.1-134.0 153.1 66.5 -20.5 -11.6 31 90 A Q E -AC 13 38A 49 -18,-1.5 -18,-1.1 -2,-0.3 7,-0.2 -0.991 19.9-122.4-134.9 134.2 64.9 -22.7 -14.1 32 91 A H E -A 12 0A 6 5,-3.0 4,-0.3 -2,-0.4 -20,-0.2 -0.410 13.4-145.3 -69.6 136.3 63.3 -26.0 -13.6 33 92 A K S S+ 0 0 140 -22,-2.4 -1,-0.1 2,-0.1 -21,-0.1 0.900 93.9 23.9 -66.5 -57.6 64.7 -28.8 -15.6 34 93 A K S S+ 0 0 171 -23,-0.4 -1,-0.1 1,-0.0 -22,-0.1 0.869 135.6 29.5 -72.8 -49.4 61.5 -30.8 -16.3 35 94 A A S S- 0 0 1 2,-0.1 -2,-0.1 189,-0.1 3,-0.1 0.577 90.7-138.5 -95.0 -15.0 58.8 -28.1 -16.0 36 95 A K + 0 0 93 -4,-0.3 -3,-0.1 1,-0.3 189,-0.0 0.434 43.6 158.9 83.4 -2.3 60.8 -25.2 -17.1 37 96 A T - 0 0 2 -6,-0.2 -5,-3.0 1,-0.1 2,-0.5 -0.306 33.3-140.3 -61.0 140.4 59.3 -23.0 -14.5 38 97 A Q E -C 31 0A 53 187,-0.4 191,-1.7 189,-0.2 2,-0.4 -0.925 15.7-168.5-112.5 124.5 61.5 -20.0 -13.7 39 98 A V E -Cd 30 229A 0 -9,-1.5 -9,-2.5 -2,-0.5 2,-0.5 -0.872 6.3-156.9-110.8 133.9 61.9 -18.9 -10.2 40 99 A I E -Cd 29 230A 7 189,-1.9 191,-1.6 -2,-0.4 2,-0.6 -0.950 12.0-170.5-114.0 120.1 63.5 -15.5 -9.3 41 100 A S E -Cd 28 231A 2 -13,-0.9 -13,-1.8 -2,-0.5 2,-0.7 -0.915 12.2-169.6-117.0 121.5 65.0 -15.2 -5.9 42 101 A L E -Cd 27 232A 4 189,-1.3 191,-1.2 -2,-0.6 -15,-0.2 -0.906 16.7-174.1-101.6 109.7 66.2 -12.1 -4.4 43 102 A G E +C 26 0A 0 -17,-1.5 -17,-1.3 -2,-0.7 2,-0.3 -0.379 4.2 177.9 -88.0 174.6 68.1 -12.9 -1.2 44 103 A T E -C 25 0A 4 189,-0.4 -19,-0.1 -19,-0.2 -20,-0.1 -0.963 29.3-140.7-165.5 167.9 69.4 -10.4 1.2 45 104 A N + 0 0 70 -21,-0.6 189,-0.1 -2,-0.3 -20,-0.1 0.436 54.0 125.2-115.2 -0.8 71.2 -10.2 4.4 46 105 A D > - 0 0 42 -22,-0.2 3,-1.1 1,-0.2 -2,-0.1 -0.404 58.6-138.1 -64.0 136.7 69.6 -7.4 6.3 47 106 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 187,-0.1 0.561 96.5 58.6 -73.6 -11.8 68.5 -8.9 9.6 48 107 A L T 3 S+ 0 0 58 1,-0.1 2,-1.5 2,-0.1 3,-0.3 0.253 71.7 101.4-105.9 11.8 65.3 -7.1 9.7 49 108 A D < + 0 0 16 -3,-1.1 185,-0.3 1,-0.2 -1,-0.1 -0.599 40.2 147.8 -87.1 65.7 64.0 -8.5 6.4 50 109 A V + 0 0 51 -2,-1.5 -1,-0.2 183,-0.1 184,-0.1 0.798 40.6 93.4 -65.5 -35.7 61.9 -10.9 8.4 51 110 A E - 0 0 4 -3,-0.3 2,-0.4 182,-0.1 66,-0.2 -0.301 59.3-163.4 -61.8 145.0 59.2 -10.9 5.7 52 111 A Q E -E 116 0A 15 64,-1.6 64,-1.3 181,-0.1 2,-0.2 -0.995 15.0-167.3-128.9 134.1 59.5 -13.6 3.1 53 112 A A E -EF 115 232A 3 179,-1.7 179,-1.0 -2,-0.4 2,-0.3 -0.712 16.4-172.1-127.8 168.1 57.5 -13.1 0.0 54 113 A F E +EF 114 231A 2 60,-1.5 60,-2.2 -2,-0.2 2,-0.3 -0.959 3.5 179.8-152.6 146.5 56.3 -14.9 -3.1 55 114 A A E -EF 113 230A 0 175,-0.7 175,-1.6 -2,-0.3 2,-0.5 -0.968 18.4-146.2-141.5 154.7 54.5 -13.8 -6.2 56 115 A F E -EF 112 229A 1 56,-1.1 56,-1.7 -2,-0.3 2,-0.6 -0.976 20.4-156.6-121.1 117.4 53.4 -15.8 -9.3 57 116 A Y E +EF 111 228A 17 171,-3.7 171,-2.6 -2,-0.5 2,-0.4 -0.806 13.4 178.9-108.2 123.1 53.6 -13.8 -12.4 58 117 A V E -E 110 0A 0 52,-1.8 52,-2.4 -2,-0.6 2,-0.8 -0.959 24.6-135.5-118.5 132.7 51.6 -14.5 -15.5 59 118 A K E +E 109 0A 37 -2,-0.4 2,-0.4 167,-0.4 50,-0.3 -0.743 35.9 163.3 -87.1 113.6 51.7 -12.5 -18.7 60 119 A T - 0 0 0 48,-1.6 2,-0.3 -2,-0.8 46,-0.1 -1.000 13.2-175.8-128.3 140.4 48.2 -12.0 -19.8 61 120 A L - 0 0 5 -2,-0.4 2,-0.4 8,-0.0 47,-0.2 -0.938 14.5-141.1-132.5 150.6 47.2 -9.4 -22.4 62 121 A T - 0 0 2 45,-0.4 135,-0.3 -2,-0.3 -2,-0.0 -0.959 21.7-177.8-126.1 133.9 43.7 -8.6 -23.4 63 122 A H S S+ 0 0 116 -2,-0.4 2,-0.3 133,-0.1 -1,-0.1 0.046 73.4 60.2-107.9 16.7 42.1 -7.8 -26.8 64 123 A S S > S- 0 0 29 130,-0.1 3,-0.6 134,-0.1 4,-0.2 -0.946 79.5-125.2-144.1 159.0 38.7 -7.3 -25.5 65 124 A G T 3 S+ 0 0 5 -2,-0.3 137,-2.3 1,-0.2 140,-0.3 0.384 86.3 94.4 -93.8 9.8 37.1 -4.9 -23.0 66 125 A K T 3 S- 0 0 26 135,-0.3 -1,-0.2 139,-0.2 5,-0.1 0.536 86.2-129.3 -81.0 -6.7 35.5 -7.6 -20.9 67 126 A G <> + 0 0 0 -3,-0.6 4,-1.4 131,-0.5 132,-0.1 0.972 39.7 168.7 57.2 61.8 38.3 -7.9 -18.4 68 127 A I H > S+ 0 0 3 -4,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.823 73.3 54.1 -72.5 -32.4 38.8 -11.6 -18.6 69 128 A P H >> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-0.6 0.979 106.8 47.3 -65.8 -58.8 42.0 -11.4 -16.6 70 129 A H H 3> S+ 0 0 19 129,-1.1 4,-2.1 1,-0.3 5,-0.2 0.913 114.8 47.4 -48.9 -50.1 40.7 -9.5 -13.6 71 130 A I H 3X S+ 0 0 0 -4,-1.4 4,-0.9 1,-0.2 -1,-0.3 0.792 110.5 54.8 -63.3 -28.1 37.7 -11.8 -13.3 72 131 A L H X S+ 0 0 0 -4,-0.9 3,-0.8 -5,-0.2 4,-0.5 0.865 103.2 54.9 -85.4 -41.9 38.2 -16.6 -9.3 76 135 A V H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 61,-0.5 0.911 104.6 56.0 -61.8 -42.4 41.1 -18.9 -9.3 77 136 A L T 3< S+ 0 0 11 -4,-1.3 12,-0.7 1,-0.2 11,-0.4 0.722 88.5 79.3 -64.4 -19.2 42.0 -18.1 -5.8 78 137 A S T <4 S- 0 0 2 -3,-0.8 10,-3.3 -4,-0.2 2,-0.3 0.867 113.5 -14.1 -61.0 -39.2 38.6 -19.0 -4.6 79 138 A G << - 0 0 0 -3,-1.0 58,-2.0 -4,-0.5 59,-0.4 -0.965 59.0-158.6-159.0 158.0 39.3 -22.7 -4.6 80 139 A S B -I 136 0B 1 3,-2.9 3,-0.4 -2,-0.3 5,-0.2 -0.850 34.2-110.4-134.6 160.6 42.0 -25.0 -6.0 81 140 A K S S+ 0 0 137 54,-2.2 3,-0.2 50,-0.4 51,-0.1 0.808 118.5 47.8 -64.1 -37.9 41.7 -28.7 -6.7 82 141 A N S S+ 0 0 85 1,-0.3 2,-0.4 53,-0.2 -1,-0.2 0.536 124.4 35.6 -86.1 -11.5 44.0 -29.8 -3.9 83 142 A Y S S- 0 0 49 -3,-0.4 -3,-2.9 45,-0.1 2,-0.7 -0.934 77.1-172.1-128.9 117.6 42.1 -27.4 -1.7 84 143 A N + 0 0 76 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.1 -0.860 27.4 140.3-112.4 97.2 38.5 -27.4 -2.5 85 144 A Y - 0 0 10 -2,-0.7 3,-0.5 -7,-0.2 4,-0.1 -0.876 64.2-113.4-134.6 163.5 36.8 -24.7 -0.5 86 145 A K S S+ 0 0 44 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.969 116.2 2.2 -62.3 -51.1 34.2 -22.0 -1.0 87 146 A N > - 0 0 30 1,-0.1 4,-0.8 -3,-0.1 -1,-0.3 -0.916 69.2-178.9-129.4 104.2 37.0 -19.4 -0.5 88 147 A S T 4 S+ 0 0 0 -10,-3.3 4,-0.4 -3,-0.5 3,-0.3 0.880 85.8 49.5 -65.0 -38.0 40.3 -21.0 -0.1 89 148 A I T > S+ 0 0 36 -12,-0.7 4,-0.9 1,-0.2 -1,-0.2 0.550 101.1 61.7 -85.2 -14.7 41.9 -17.6 0.3 90 149 A G H > S+ 0 0 12 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.760 96.6 58.8 -69.1 -38.1 39.6 -16.3 2.8 91 150 A L H X S+ 0 0 3 -4,-0.8 4,-1.0 -3,-0.3 -2,-0.2 0.677 103.6 56.8 -68.0 -20.9 40.5 -19.0 5.2 92 151 A L H 4 S+ 0 0 4 -4,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.821 108.6 41.9 -72.8 -43.2 44.0 -17.5 4.8 93 152 A E H < S+ 0 0 67 -4,-0.9 3,-0.4 1,-0.1 -2,-0.2 0.812 108.5 62.5 -67.3 -34.8 43.0 -14.0 5.8 94 153 A K H < S+ 0 0 18 -4,-2.3 873,-0.4 1,-0.3 2,-0.2 0.943 127.6 0.1 -62.5 -46.6 40.9 -15.4 8.6 95 154 A G S < S+ 0 0 8 -4,-1.0 2,-0.3 -5,-0.1 -1,-0.3 -0.623 94.2 112.3-146.4 88.0 43.8 -17.0 10.3 96 155 A T - 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0 0 24 -3,-0.7 2,-0.3 -4,-0.5 -3,-0.1 -0.200 37.4-160.1 -68.2 149.1 33.3 -23.5 15.0 957 1093 A T > - 0 0 38 1,-0.1 4,-3.9 -427,-0.0 3,-0.5 -0.777 36.0 -98.8-134.4 171.6 36.2 -25.6 15.7 958 1094 A E H > S+ 0 0 159 1,-0.3 4,-1.9 -2,-0.3 5,-0.2 0.919 126.5 45.7 -58.1 -44.0 39.5 -25.7 17.4 959 1095 A N H > S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.803 116.2 44.3 -64.6 -37.9 41.1 -25.1 14.0 960 1096 A D H > S+ 0 0 13 -3,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.635 109.0 59.8 -72.7 -27.0 38.7 -22.3 13.2 961 1097 A L H X S+ 0 0 29 -4,-3.9 4,-1.3 2,-0.2 -2,-0.2 0.902 109.5 41.9 -68.4 -41.0 39.1 -21.0 16.7 962 1098 A L H X S+ 0 0 42 -4,-1.9 4,-2.7 -5,-0.3 5,-0.4 0.951 106.7 58.8 -66.7 -46.6 42.8 -20.6 16.0 963 1099 A R H X S+ 0 0 1 -4,-1.8 4,-1.1 1,-0.3 -1,-0.2 0.892 110.7 44.9 -56.1 -39.7 42.6 -19.1 12.6 964 1100 A Y H X S+ 0 0 10 -4,-1.2 4,-0.5 1,-0.2 -1,-0.3 0.885 115.1 49.3 -66.1 -40.1 40.5 -16.4 14.1 965 1101 A I H >X S+ 0 0 6 -4,-1.3 4,-1.1 -3,-0.4 3,-0.7 0.855 105.5 53.4 -65.8 -43.1 42.9 -16.0 17.0 966 1102 A I H 3X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.889 96.2 69.2 -62.1 -39.2 46.1 -15.8 15.2 967 1103 A N H 3< S+ 0 0 20 -4,-1.1 -1,-0.2 -5,-0.4 4,-0.2 0.774 98.4 47.9 -59.5 -34.3 44.9 -13.1 13.0 968 1104 A T H XX S+ 0 0 14 -3,-0.7 4,-2.6 -4,-0.5 3,-0.9 0.915 114.6 47.7 -67.4 -42.5 44.8 -10.5 15.8 969 1105 A I H 3X S+ 0 0 3 -4,-1.1 4,-2.4 -3,-0.3 -2,-0.2 0.800 106.5 55.7 -65.2 -34.2 48.3 -11.6 16.8 970 1106 A G H 3< S+ 0 0 7 -4,-2.7 -1,-0.3 2,-0.2 -2,-0.2 0.569 115.7 40.7 -73.7 -9.9 49.5 -11.4 13.3 971 1107 A T H <4 S+ 0 0 70 -3,-0.9 -2,-0.3 -5,-0.3 -1,-0.2 0.630 114.5 49.1-104.1 -34.2 48.2 -7.9 13.5 972 1108 A I H < S+ 0 0 33 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.894 123.8 36.2 -63.0 -41.2 49.5 -7.3 16.9 973 1109 A D S < S+ 0 0 20 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.241 77.0 135.0-104.8 9.8 52.7 -8.7 15.7 974 1110 A K - 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0 0 63 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.719 26.9-153.1-100.1 96.1 49.8 1.5 27.3 994 1130 A S > - 0 0 50 -2,-1.0 4,-1.9 1,-0.1 5,-0.2 0.018 26.6-118.4 -67.9 162.4 51.6 -0.4 30.0 995 1131 A E H > S+ 0 0 90 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.830 119.9 54.7 -64.4 -34.0 53.8 -3.4 29.3 996 1132 A Q H > S+ 0 0 131 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.757 105.1 50.9 -67.9 -35.1 51.3 -5.1 31.5 997 1133 A D H > S+ 0 0 16 2,-0.2 4,-2.7 3,-0.2 5,-0.3 0.955 111.9 45.2 -65.0 -51.1 48.4 -4.1 29.5 998 1134 A R H X S+ 0 0 20 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.846 118.9 44.4 -61.9 -39.2 49.8 -5.2 26.3 999 1135 A V H X S+ 0 0 41 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.800 113.6 48.6 -66.9 -43.0 50.9 -8.4 27.9 1000 1136 A E H < S+ 0 0 92 -4,-1.9 -2,-0.2 2,-0.2 4,-0.2 0.823 116.0 45.7 -66.8 -37.7 47.6 -8.9 29.7 1001 1137 A F H >X S+ 0 0 36 -4,-2.7 4,-2.2 1,-0.2 3,-1.9 0.934 110.0 51.4 -68.0 -48.0 45.9 -8.2 26.4 1002 1138 A R H 3X S+ 0 0 7 -4,-2.2 4,-0.8 1,-0.3 -1,-0.2 0.761 109.3 55.5 -62.4 -22.2 48.0 -10.5 24.4 1003 1139 A K H 3< S+ 0 0 110 -4,-0.8 -1,-0.3 2,-0.2 4,-0.2 0.467 110.6 39.4 -93.9 -5.5 47.4 -13.1 26.9 1004 1140 A R H <4 S+ 0 0 51 -3,-1.9 -2,-0.2 -4,-0.2 -1,-0.2 0.489 106.5 63.4-110.1 -23.2 43.6 -13.1 26.7 1005 1141 A I H < S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.880 109.9 44.1 -63.6 -38.8 43.6 -12.7 23.1 1006 1142 A M S < S+ 0 0 74 -4,-0.8 2,-0.9 -5,-0.2 -1,-0.2 0.780 107.5 55.7 -69.4 -40.6 45.2 -16.0 23.2 1007 1143 A N S S+ 0 0 120 -4,-0.2 2,-0.8 2,-0.0 -1,-0.2 -0.426 73.8 142.2 -91.9 56.5 43.0 -17.7 25.8 1008 1144 A T - 0 0 6 -2,-0.9 -43,-0.1 -3,-0.4 2,-0.1 -0.852 34.0-162.3-109.3 96.5 39.9 -17.0 23.9 1009 1145 A K > - 0 0 93 -2,-0.8 3,-1.6 1,-0.1 4,-0.5 -0.286 33.5-103.9 -78.8 161.9 37.5 -20.0 24.2 1010 1146 A K T >> S+ 0 0 118 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.706 114.9 65.9 -62.5 -24.1 34.6 -20.6 21.8 1011 1147 A E H >> S+ 0 0 69 1,-0.2 4,-1.4 2,-0.2 3,-0.9 0.818 84.3 67.1 -67.6 -34.3 32.2 -19.4 24.4 1012 1148 A D H <> S+ 0 0 8 -3,-1.6 4,-1.4 1,-0.3 -1,-0.2 0.783 92.3 66.2 -62.4 -19.6 33.3 -15.9 24.5 1013 1149 A F H <> S+ 0 0 0 -3,-0.7 4,-1.1 -4,-0.5 -1,-0.3 0.940 99.8 50.1 -64.9 -43.5 31.9 -15.8 21.0 1014 1150 A Y H < S+ 0 0 82 -4,-2.4 3,-0.8 -5,-0.3 -2,-0.2 0.856 114.5 52.3 -63.0 -37.8 22.1 -8.8 20.3 1022 1158 A S H 3< S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.2 3,-0.2 0.845 119.4 36.0 -62.8 -34.7 21.3 -7.3 23.6 1023 1159 A K T >X S+ 0 0 57 -4,-1.5 3,-1.6 1,-0.1 4,-0.5 -0.040 73.3 126.2-112.3 34.5 22.4 -3.9 22.3 1024 1160 A V T <4 + 0 0 43 -3,-0.8 4,-0.5 1,-0.3 -1,-0.1 0.575 69.2 64.9 -68.1 -9.7 21.3 -4.0 18.6 1025 1161 A N T 3> S+ 0 0 111 1,-0.2 4,-0.6 -3,-0.2 -1,-0.3 0.538 84.8 69.3 -92.2 -15.5 19.5 -0.7 19.1 1026 1162 A E T X4 S+ 0 0 42 -3,-1.6 3,-0.6 1,-0.2 4,-0.5 0.840 96.7 57.0 -67.0 -35.5 22.5 1.3 19.8 1027 1163 A F G >< S+ 0 0 8 -4,-0.5 3,-0.9 1,-0.2 -151,-0.6 0.866 92.7 66.8 -63.9 -37.9 23.4 0.8 16.2 1028 1164 A E G 34 S+ 0 0 49 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.816 88.1 65.9 -63.5 -29.1 20.3 2.2 14.8 1029 1165 A K G << S+ 0 0 35 -3,-0.6 -169,-2.6 -4,-0.6 2,-0.7 0.836 103.3 45.5 -62.6 -37.3 20.9 5.8 16.0 1030 1166 A N E < +v 860 0H 12 -3,-0.9 -154,-1.4 -4,-0.5 2,-0.3 -0.918 66.7 148.8-110.4 103.8 23.9 6.3 13.8 1031 1167 A I E +vZ 861 875H 0 -171,-1.6 -169,-2.8 -2,-0.7 2,-0.4 -0.872 13.5 174.1-132.7 107.9 23.5 5.2 10.2 1032 1168 A V E +v 862 0H 0 -158,-1.1 -158,-0.4 -2,-0.3 2,-0.3 -0.936 11.0 172.3-115.8 134.4 25.3 7.0 7.5 1033 1169 A I E -v 863 0H 0 -171,-1.9 -169,-1.9 -2,-0.4 2,-0.5 -0.938 25.5-133.5-144.6 151.5 25.1 5.6 4.0 1034 1170 A I E +vY 864 872H 7 -162,-2.3 -162,-1.3 -2,-0.3 2,-0.2 -0.952 46.4 110.5-121.3 122.3 26.1 6.6 0.5 1035 1171 A T E -v 865 0H 1 -171,-1.3 -169,-1.7 -2,-0.5 2,-0.2 -0.766 58.1 -62.2-160.5-159.0 23.9 6.3 -2.5 1036 1172 A T > - 0 0 10 -2,-0.2 4,-2.4 -171,-0.2 5,-0.2 -0.584 44.0-103.9-111.6 165.6 21.9 8.2 -5.1 1037 1173 A K H > S+ 0 0 98 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.907 116.8 41.0 -60.3 -49.1 19.1 10.6 -4.9 1038 1174 A E H > S+ 0 0 75 2,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.885 113.4 52.7 -64.3 -38.3 16.3 8.4 -6.1 1039 1175 A K H > S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.828 116.2 46.5 -63.4 -35.7 17.6 5.4 -4.2 1040 1176 A A H X S+ 0 0 3 -4,-2.4 4,-1.9 2,-0.2 -2,-0.3 0.855 105.8 49.8 -70.7 -47.8 17.4 7.9 -1.3 1041 1177 A N H X S+ 0 0 110 -4,-2.9 4,-1.6 1,-0.2 -3,-0.2 0.834 115.3 54.9 -64.4 -25.7 14.0 9.6 -1.7 1042 1178 A E H X>S+ 0 0 97 -4,-1.7 4,-1.3 -5,-0.3 5,-0.6 0.917 105.4 44.4 -68.6 -47.6 12.9 6.0 -1.9 1043 1179 A Y H <>S+ 0 0 11 -4,-1.4 5,-3.1 1,-0.2 -1,-0.2 0.892 115.3 53.8 -63.6 -34.1 14.4 4.6 1.3 1044 1180 A I H <5S+ 0 0 29 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.912 107.2 45.6 -66.2 -47.0 13.1 7.6 3.0 1045 1181 A A H <5S+ 0 0 65 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.1 0.968 129.0 15.4 -64.5 -57.2 9.5 7.5 2.0 1046 1182 A N T <5S+ 0 0 114 -4,-1.3 -3,-0.1 -5,-0.2 -2,-0.1 0.974 133.6 31.9 -83.6 -70.4 8.7 3.9 2.6 1047 1183 A V T