==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN,TRANSFERASE 12-JUL-05 2A9Y . COMPND 2 MOLECULE: ADENOSINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR Y.ZHANG,M.H.EL KOUNI,S.E.EALICK . 351 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 21 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 2 0 0 1 1 1 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 2 0 2 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 0 0 1 3 0 0 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 . 0 0 0 1 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 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 10 A T 0 0 136 0, 0.0 76,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -10.9 -2.6 -68.6 -95.9 2 11 A G - 0 0 19 74,-1.4 76,-0.2 1,-0.2 2,-0.1 -0.007 360.0-128.6 73.3-169.8 -4.4 -68.4 -99.2 3 12 A P - 0 0 70 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.435 49.4-141.2 -68.6 141.7 -4.7 -69.7 -101.9 4 13 A M + 0 0 19 146,-0.5 75,-0.2 1,-0.2 74,-0.2 -0.718 28.9 171.1 -77.7 122.8 -4.3 -66.2 -103.3 5 14 A R + 0 0 115 73,-3.2 149,-1.1 -2,-0.5 148,-0.7 0.721 62.6 32.8-103.1 -29.8 -6.7 -65.8 -106.2 6 15 A V E -ab 79 154A 0 72,-1.2 74,-2.5 146,-0.1 2,-0.4 -0.998 60.0-168.9-130.9 133.6 -6.5 -62.1 -107.0 7 16 A F E +ab 80 155A 0 147,-2.5 149,-2.3 -2,-0.4 2,-0.3 -0.994 15.3 176.7-118.7 131.6 -3.5 -59.7 -106.7 8 17 A A E -ab 81 156A 0 72,-2.3 74,-1.8 -2,-0.4 2,-0.3 -0.936 22.1-150.6-132.7 152.7 -3.9 -55.9 -107.1 9 18 A I E +ab 82 157A 1 147,-1.9 149,-0.6 -2,-0.3 2,-0.3 -0.906 35.2 142.0-110.5 152.0 -1.9 -52.7 -106.9 10 19 A G - 0 0 1 72,-1.9 74,-0.4 -2,-0.3 129,-0.1 -0.961 56.6 -82.1-164.7-177.7 -3.6 -49.4 -105.8 11 20 A N - 0 0 13 -2,-0.3 2,-0.4 72,-0.1 52,-0.3 -0.926 46.4-142.0 -99.0 103.9 -3.5 -46.1 -103.9 12 21 A P + 0 0 0 0, 0.0 104,-0.7 0, 0.0 2,-0.4 -0.614 29.2 177.9 -76.1 124.8 -4.4 -47.1 -100.3 13 22 A I E -Ij 59 116B 16 46,-0.9 46,-2.6 -2,-0.4 2,-0.6 -0.982 29.8-137.8-131.6 133.6 -6.6 -44.3 -98.9 14 23 A L E -Ij 58 117B 6 102,-2.6 104,-2.4 -2,-0.4 2,-0.4 -0.851 25.0-143.8 -85.0 123.9 -8.4 -43.8 -95.6 15 24 A D E -Ij 57 118B 9 42,-3.0 42,-2.5 -2,-0.6 2,-0.6 -0.757 8.5-160.4 -87.2 132.1 -11.9 -42.5 -96.2 16 25 A L E -Ij 56 119B 18 102,-2.9 104,-3.1 -2,-0.4 2,-0.5 -0.955 13.1-165.7-114.3 107.4 -13.2 -39.9 -93.7 17 26 A V E +Ij 55 120B 29 38,-2.4 38,-2.5 -2,-0.6 2,-0.3 -0.849 18.0 152.7-102.2 124.2 -16.9 -39.8 -94.0 18 27 A A E - j 0 121B 5 102,-2.5 104,-2.8 -2,-0.5 2,-0.5 -0.995 44.7-120.6-150.9 148.9 -18.9 -37.0 -92.4 19 28 A E E - j 0 122B 153 -2,-0.3 104,-0.2 33,-0.3 102,-0.1 -0.749 42.6-178.8 -76.8 123.3 -22.1 -35.0 -92.6 20 29 A V - 0 0 9 102,-2.4 5,-0.0 -2,-0.5 29,-0.0 -0.947 27.5-109.6-128.4 150.1 -21.2 -31.3 -93.0 21 30 A P >> - 0 0 55 0, 0.0 3,-1.5 0, 0.0 4,-1.1 -0.268 36.0-108.7 -70.6 159.2 -23.1 -28.0 -93.4 22 31 A S H 3> S+ 0 0 32 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.853 116.6 66.9 -60.6 -32.5 -23.2 -26.2 -96.7 23 32 A S H 3> S+ 0 0 54 1,-0.2 4,-3.2 2,-0.2 -1,-0.3 0.780 94.3 60.3 -56.3 -28.1 -20.9 -23.5 -95.3 24 33 A F H <> S+ 0 0 3 -3,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.949 105.9 45.3 -68.2 -45.0 -18.2 -26.2 -95.0 25 34 A L H <>S+ 0 0 1 -4,-1.1 5,-2.9 1,-0.2 3,-0.3 0.971 117.1 46.0 -57.1 -48.3 -18.3 -26.8 -98.8 26 35 A D H ><5S+ 0 0 106 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.897 107.4 55.7 -62.2 -44.6 -18.4 -23.0 -99.4 27 36 A E H 3<5S+ 0 0 127 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.817 115.4 39.8 -57.7 -32.4 -15.5 -22.3 -97.0 28 37 A F T 3<5S- 0 0 22 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.272 111.8-118.0-107.0 11.6 -13.3 -24.7 -98.8 29 38 A F T < 5 + 0 0 148 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.841 57.3 159.6 56.5 42.3 -14.5 -23.7 -102.3 30 39 A L < - 0 0 16 -5,-2.9 2,-0.6 -6,-0.2 -1,-0.2 -0.730 40.0-134.3 -94.4 142.5 -15.8 -27.2 -103.0 31 40 A K > - 0 0 141 -2,-0.3 3,-2.2 1,-0.0 -5,-0.0 -0.837 36.5-107.8 -93.5 122.8 -18.4 -27.9 -105.8 32 41 A R T 3 S+ 0 0 83 -2,-0.6 96,-0.1 1,-0.3 3,-0.1 -0.241 99.2 11.5 -54.8 128.0 -21.1 -30.2 -104.4 33 42 A G T 3 S+ 0 0 31 1,-0.3 -1,-0.3 88,-0.2 2,-0.2 0.334 96.8 123.4 86.9 -2.2 -21.0 -33.7 -105.8 34 43 A D < - 0 0 58 -3,-2.2 95,-2.5 94,-0.0 2,-0.5 -0.531 52.9-143.5 -82.8 160.6 -17.6 -33.3 -107.4 35 44 A A E +k 129 0B 69 93,-0.2 2,-0.2 -2,-0.2 95,-0.2 -0.972 36.9 152.9-123.2 113.7 -14.6 -35.6 -106.7 36 45 A T E -k 130 0B 60 93,-2.4 95,-2.9 -2,-0.5 2,-0.4 -0.797 46.5 -99.2-132.3 170.2 -11.3 -33.7 -106.8 37 46 A L E -k 131 0B 93 -2,-0.2 95,-0.2 93,-0.2 81,-0.1 -0.790 55.7 -93.1 -91.0 138.4 -7.8 -33.7 -105.5 38 47 A A - 0 0 25 93,-2.8 95,-0.1 -2,-0.4 -1,-0.1 -0.252 39.2-143.9 -55.5 133.1 -7.1 -31.3 -102.6 39 48 A T > - 0 0 49 1,-0.1 3,-1.7 93,-0.0 4,-0.1 -0.470 29.8-100.9 -88.6 164.7 -5.9 -27.9 -103.6 40 49 A P G > S+ 0 0 126 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.911 125.8 54.9 -50.6 -44.1 -3.4 -25.8 -101.6 41 50 A E G 3 S+ 0 0 111 1,-0.3 3,-0.3 2,-0.1 -3,-0.0 0.692 103.4 58.1 -65.6 -15.7 -6.2 -23.8 -100.1 42 51 A Q G X S+ 0 0 5 -3,-1.7 3,-2.4 1,-0.2 4,-0.3 0.223 71.5 114.2 -97.4 11.0 -7.8 -27.1 -98.9 43 52 A M T < S+ 0 0 76 -3,-1.7 3,-0.5 1,-0.3 4,-0.3 0.844 78.0 43.2 -50.2 -43.2 -4.8 -28.1 -96.9 44 53 A R T 3> S+ 0 0 193 -3,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.330 82.2 104.2 -94.3 12.4 -6.6 -27.9 -93.5 45 54 A I H <> S+ 0 0 0 -3,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.881 79.9 49.5 -62.8 -36.3 -9.7 -29.6 -94.7 46 55 A Y H > S+ 0 0 28 -3,-0.5 4,-0.7 -4,-0.3 -1,-0.2 0.937 114.9 42.0 -72.7 -42.0 -8.9 -33.0 -93.0 47 56 A S H >4 S+ 0 0 83 -4,-0.3 3,-1.1 1,-0.2 4,-0.3 0.933 114.2 52.5 -67.5 -41.1 -8.1 -31.5 -89.6 48 57 A T H >< S+ 0 0 32 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.851 99.4 65.5 -62.8 -31.7 -11.0 -29.2 -89.8 49 58 A L H >< S+ 0 0 0 -4,-1.7 3,-2.6 1,-0.3 -1,-0.3 0.780 81.4 79.7 -60.7 -26.4 -13.2 -32.2 -90.6 50 59 A D G X< S+ 0 0 61 -3,-1.1 3,-1.7 -4,-0.7 -1,-0.3 0.828 81.0 64.8 -56.1 -28.2 -12.5 -33.5 -87.1 51 60 A Q G < S+ 0 0 142 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.679 98.1 56.0 -70.7 -9.6 -15.1 -31.2 -85.6 52 61 A F G < S- 0 0 65 -3,-2.6 -33,-0.3 -4,-0.2 -1,-0.3 0.126 110.9-121.7-107.4 20.6 -17.8 -33.1 -87.6 53 62 A N < - 0 0 142 -3,-1.7 -3,-0.1 1,-0.1 -34,-0.1 0.897 37.5-160.0 41.3 65.3 -16.8 -36.5 -86.0 54 63 A P - 0 0 36 0, 0.0 2,-0.3 0, 0.0 -36,-0.2 -0.299 12.3-121.7 -72.1 157.3 -16.0 -38.3 -89.2 55 64 A T E -I 17 0B 75 -38,-2.5 -38,-2.4 2,-0.0 2,-0.6 -0.759 19.4-135.0 -92.4 144.4 -15.9 -42.1 -89.5 56 65 A S E +I 16 0B 57 -2,-0.3 -40,-0.2 -40,-0.2 -42,-0.0 -0.916 33.9 161.8-103.2 121.6 -12.7 -43.8 -90.6 57 66 A L E -I 15 0B 71 -42,-2.5 -42,-3.0 -2,-0.6 2,-0.1 -0.959 44.9 -95.6-136.5 151.4 -13.1 -46.5 -93.2 58 67 A P E +I 14 0B 6 0, 0.0 -44,-0.2 0, 0.0 287,-0.2 -0.459 54.8 162.5 -66.2 140.0 -10.8 -48.2 -95.6 59 68 A G E +I 13 0B 0 -46,-2.6 -46,-0.9 -2,-0.1 4,-0.1 -0.557 19.8 117.3-139.6-159.8 -10.9 -46.6 -99.1 60 69 A G > - 0 0 8 -48,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.354 65.6-106.1 92.3 132.2 -9.0 -46.4 -102.3 61 70 A S H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.938 117.5 39.0 -57.7 -56.0 -10.6 -47.7 -105.6 62 71 A A H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.869 115.2 54.2 -65.3 -36.3 -8.5 -50.9 -106.0 63 72 A L H > S+ 0 0 0 -52,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.901 106.7 52.6 -64.2 -40.2 -8.6 -51.6 -102.3 64 73 A N H X S+ 0 0 6 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.928 110.7 47.9 -56.5 -44.1 -12.4 -51.3 -102.3 65 74 A S H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.933 112.8 45.3 -68.6 -43.6 -12.5 -53.9 -105.2 66 75 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.797 106.9 59.6 -72.4 -24.5 -10.1 -56.4 -103.6 67 76 A R H X S+ 0 0 14 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.854 105.2 50.8 -67.9 -32.8 -11.9 -56.1 -100.2 68 77 A V H X S+ 0 0 4 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.962 111.0 48.1 -63.6 -46.5 -15.1 -57.3 -102.1 69 78 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.934 112.8 47.6 -59.0 -48.0 -13.1 -60.2 -103.5 70 79 A Q H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.914 109.2 54.0 -62.9 -40.3 -11.7 -61.1 -100.1 71 80 A K H < S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.904 113.1 43.0 -59.3 -40.9 -15.2 -60.9 -98.5 72 81 A L H < S+ 0 0 38 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.849 116.4 45.8 -76.7 -32.8 -16.6 -63.3 -101.0 73 82 A L H < S- 0 0 24 -4,-2.5 2,-2.4 -5,-0.2 -2,-0.2 0.782 84.5-170.7 -81.5 -23.0 -13.7 -65.7 -100.9 74 83 A R < + 0 0 205 -4,-2.5 -1,-0.2 -5,-0.2 3,-0.1 -0.241 44.1 110.8 70.7 -48.2 -13.6 -65.6 -97.1 75 84 A K S > S- 0 0 129 -2,-2.4 3,-1.4 1,-0.1 -1,-0.1 -0.291 82.0 -98.2 -62.1 137.8 -10.3 -67.5 -96.5 76 85 A P T 3 S+ 0 0 85 0, 0.0 -74,-1.4 0, 0.0 27,-0.2 -0.245 107.7 18.4 -55.7 136.1 -7.5 -65.3 -95.2 77 86 A G T 3 S+ 0 0 6 25,-3.0 26,-0.1 -76,-0.2 -2,-0.1 0.727 78.6 134.7 77.1 22.8 -5.2 -64.1 -97.9 78 87 A S S < S+ 0 0 4 -3,-1.4 -73,-3.2 24,-0.3 -72,-1.2 0.776 75.5 32.1 -72.6 -30.4 -7.6 -64.9 -100.7 79 88 A A E S-a 6 0A 0 23,-0.2 25,-2.5 -75,-0.2 2,-0.3 -0.976 76.7-155.5-124.6 144.9 -6.8 -61.5 -102.3 80 89 A G E -ac 7 104A 0 -74,-2.5 -72,-2.3 -2,-0.4 2,-0.3 -0.890 11.1-176.1-119.4 151.5 -3.5 -59.7 -102.1 81 90 A Y E -ac 8 105A 0 23,-1.9 25,-1.9 -2,-0.3 2,-0.4 -0.995 8.7-169.5-148.3 141.8 -2.7 -56.0 -102.4 82 91 A M E +ac 9 106A 0 -74,-1.8 -72,-1.9 -2,-0.3 2,-0.3 -0.985 24.7 126.5-131.5 148.7 0.2 -53.6 -102.5 83 92 A G E - c 0 107A 0 23,-1.2 25,-2.7 -2,-0.4 2,-0.4 -0.929 51.7 -85.5-173.0-177.4 0.5 -49.8 -102.3 84 93 A A E + c 0 108A 0 -74,-0.4 32,-0.3 -2,-0.3 2,-0.2 -0.907 35.5 178.5-112.9 139.7 2.3 -47.1 -100.3 85 94 A I E - c 0 109A 7 23,-2.5 25,-2.8 -2,-0.4 28,-0.1 -0.734 29.3-103.3-124.7 170.7 1.4 -45.5 -97.0 86 95 A G E - c 0 110A 2 -2,-0.2 28,-0.2 23,-0.2 2,-0.1 -0.415 29.2-111.4 -88.3 172.8 3.0 -42.9 -94.7 87 96 A D S S+ 0 0 96 23,-0.8 27,-0.1 26,-0.8 25,-0.1 -0.225 85.6 106.9 -92.1 43.7 4.8 -43.5 -91.5 88 97 A D S > S- 0 0 32 25,-0.1 4,-1.2 -2,-0.1 3,-0.5 -0.576 88.6 -96.5-118.1 169.6 1.9 -41.8 -89.6 89 98 A P H > S+ 0 0 110 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.902 119.7 59.3 -56.6 -38.5 -1.0 -42.7 -87.4 90 99 A R H > S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.869 100.6 55.9 -59.5 -39.6 -3.4 -42.8 -90.4 91 100 A G H > S+ 0 0 0 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.887 107.6 48.6 -64.1 -37.7 -1.3 -45.5 -92.1 92 101 A Q H X S+ 0 0 111 -4,-1.2 4,-2.7 -3,-0.3 -1,-0.2 0.911 109.1 53.1 -66.2 -39.4 -1.6 -47.8 -89.0 93 102 A V H X S+ 0 0 64 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.927 112.3 45.0 -60.3 -43.4 -5.3 -47.2 -88.9 94 103 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.922 111.7 51.5 -69.4 -43.1 -5.7 -48.3 -92.5 95 104 A K H X S+ 0 0 70 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.947 111.0 48.5 -58.3 -47.3 -3.4 -51.3 -92.2 96 105 A E H X S+ 0 0 114 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.899 107.7 54.1 -65.3 -35.6 -5.3 -52.6 -89.2 97 106 A L H X S+ 0 0 31 -4,-2.0 4,-0.6 -5,-0.2 -1,-0.2 0.895 112.5 45.0 -61.1 -39.2 -8.7 -52.2 -90.9 98 107 A C H ><>S+ 0 0 0 -4,-2.1 5,-1.3 1,-0.2 3,-1.0 0.911 110.8 53.0 -71.3 -41.3 -7.4 -54.3 -93.8 99 108 A D H ><5S+ 0 0 69 -4,-2.8 3,-1.6 1,-0.3 -2,-0.2 0.871 101.7 59.6 -61.7 -38.7 -5.8 -56.9 -91.5 100 109 A K H 3<5S+ 0 0 165 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.790 103.5 52.3 -65.8 -19.4 -9.0 -57.4 -89.6 101 110 A E T <<5S- 0 0 68 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.494 115.4-113.5 -92.4 -2.8 -10.7 -58.4 -92.9 102 111 A G T < 5 + 0 0 22 -3,-1.6 -25,-3.0 -4,-0.4 -24,-0.3 0.512 61.4 153.4 88.7 4.6 -8.1 -61.0 -93.7 103 112 A L < - 0 0 7 -5,-1.3 2,-0.6 -27,-0.2 -1,-0.3 -0.414 47.1-124.7 -67.2 141.7 -6.7 -59.3 -96.8 104 113 A A E +c 80 0A 21 -25,-2.5 -23,-1.9 -2,-0.1 2,-0.3 -0.809 44.3 171.9 -84.9 118.3 -3.1 -60.1 -97.7 105 114 A T E -c 81 0A 26 -2,-0.6 2,-0.4 -25,-0.2 -23,-0.2 -0.969 32.9-170.4-130.7 148.8 -1.3 -56.7 -97.8 106 115 A R E -c 82 0A 76 -25,-1.9 -23,-1.2 -2,-0.3 2,-0.6 -0.921 17.6-170.5-130.9 110.6 2.2 -55.3 -98.2 107 116 A F E -c 83 0A 21 -2,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.906 14.5-142.8-102.6 119.3 2.1 -51.6 -97.6 108 117 A M E -c 84 0A 64 -25,-2.7 -23,-2.5 -2,-0.6 2,-0.4 -0.697 17.9-134.0 -79.7 129.7 5.4 -49.8 -98.4 109 118 A V E -c 85 0A 84 -2,-0.4 -23,-0.2 -25,-0.2 -22,-0.1 -0.752 12.5-160.3 -91.5 131.4 6.1 -47.0 -95.9 110 119 A A E > -c 86 0A 10 -25,-2.8 3,-1.9 -2,-0.4 -23,-0.8 -0.894 23.8-132.2-106.5 103.6 7.2 -43.6 -97.2 111 120 A P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 -23,-0.0 -0.241 86.4 13.3 -55.0 136.2 9.0 -41.7 -94.3 112 121 A G T 3 S+ 0 0 73 1,-0.3 2,-0.3 -25,-0.1 -26,-0.1 0.449 104.5 106.6 84.1 -5.9 7.8 -38.2 -93.9 113 122 A Q < - 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d 0 187A 1 -149,-0.6 3,-1.9 -2,-0.3 4,-0.3 -0.709 25.3-123.3 -87.4 149.2 -6.6 -49.1 -111.6 159 168 A A G > S+ 0 0 0 28,-2.2 3,-2.0 -2,-0.3 4,-0.3 0.787 110.0 76.9 -62.2 -20.3 -5.4 -46.4 -114.0 160 169 A Y G > S+ 0 0 83 1,-0.3 3,-1.4 27,-0.2 -1,-0.3 0.799 82.1 66.0 -57.0 -25.7 -5.3 -44.3 -110.8 161 170 A T G X> S+ 0 0 3 -3,-1.9 3,-1.6 1,-0.3 4,-1.3 0.720 83.0 74.3 -69.6 -16.6 -2.0 -46.2 -110.1 162 171 A L G <4 S+ 0 0 2 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.701 80.7 72.9 -66.6 -16.9 -0.5 -44.5 -113.1 163 172 A T G <4 S+ 0 0 40 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.628 101.7 41.1 -75.7 -14.8 -0.3 -41.3 -111.0 164 173 A A T <4 S- 0 0 19 -3,-1.6 -2,-0.2 1,-0.2 -1,-0.1 0.852 142.3 -44.2 -86.8 -65.9 2.5 -42.8 -108.9 165 174 A T >X - 0 0 21 -4,-1.3 3,-1.2 1,-0.1 4,-0.6 -0.901 39.1-136.0-156.9 138.9 4.3 -44.3 -111.9 166 175 A P H 3> S+ 0 0 33 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.679 97.3 80.7 -63.1 -19.4 3.0 -46.2 -114.9 167 176 A K H 3> S+ 0 0 144 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.789 84.7 58.2 -58.8 -29.2 5.9 -48.6 -114.5 168 177 A N H <> S+ 0 0 2 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.987 111.5 38.5 -65.2 -54.5 4.0 -50.4 -111.6 169 178 A A H X S+ 0 0 0 -4,-0.6 4,-2.9 1,-0.2 5,-0.3 0.901 115.6 54.8 -63.4 -36.0 1.0 -51.4 -113.8 170 179 A L H X S+ 0 0 49 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.873 108.7 48.8 -65.5 -35.8 3.3 -52.1 -116.8 171 180 A E H X S+ 0 0 94 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.896 112.0 47.4 -69.1 -39.9 5.4 -54.4 -114.8 172 181 A V H X S+ 0 0 1 -4,-2.1 4,-1.5 1,-0.2 3,-0.4 0.952 116.7 43.3 -66.4 -46.5 2.4 -56.3 -113.5 173 182 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.864 108.3 60.2 -63.8 -34.4 0.9 -56.6 -117.0 174 183 A G H < S+ 0 0 38 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.837 103.5 51.2 -63.3 -31.1 4.3 -57.5 -118.4 175 184 A Y H < S+ 0 0 113 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.882 113.8 42.9 -72.6 -39.6 4.4 -60.5 -116.2 176 185 A A H >< S+ 0 0 1 -4,-1.5 3,-1.9 -5,-0.1 6,-0.3 0.787 90.2 108.5 -75.6 -25.0 1.0 -61.7 -117.3 177 186 A H T 3< S+ 0 0 105 -4,-2.0 30,-0.1 1,-0.3 6,-0.1 -0.261 86.2 10.7 -64.9 136.4 1.5 -61.0 -120.9 178 187 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.357 96.6 113.7 82.9 -7.9 1.9 -64.0 -123.2 179 188 A I X - 0 0 71 -3,-1.9 3,-1.5 1,-0.1 -1,-0.2 -0.881 63.5-146.1 -94.8 108.4 0.9 -66.5 -120.5 180 189 A P T 3 S+ 0 0 77 0, 0.0 83,-0.5 0, 0.0 -1,-0.1 0.844 92.8 34.8 -52.8 -35.9 -2.4 -67.9 -121.7 181 190 A N T 3 S+ 0 0 99 81,-0.1 2,-0.5 -3,-0.1 -5,-0.0 0.312 92.4 100.0-106.1 14.5 -4.1 -68.3 -118.3 182 191 A A < - 0 0 4 -3,-1.5 2,-0.6 -6,-0.3 -28,-0.2 -0.827 60.1-158.8 -92.4 128.4 -2.6 -65.2 -116.6 183 192 A I E -d 154 0A 22 -30,-3.4 -28,-2.9 -2,-0.5 2,-0.5 -0.914 9.8-166.8-117.6 109.5 -5.2 -62.4 -116.7 184 193 A F E -d 155 0A 0 -2,-0.6 25,-2.6 -30,-0.2 26,-1.8 -0.835 13.0-169.8 -91.6 130.5 -4.3 -58.8 -116.3 185 194 A T E -de 156 210A 0 -30,-2.3 -28,-2.1 -2,-0.5 2,-0.4 -0.931 3.5-169.6-126.7 144.8 -7.2 -56.5 -115.7 186 195 A L E -de 157 211A 1 24,-2.5 26,-3.0 -2,-0.4 2,-0.4 -0.991 15.3-146.8-137.3 143.2 -7.4 -52.7 -115.7 187 196 A N E -de 158 212A 11 -30,-1.6 -28,-2.2 -2,-0.4 26,-0.2 -0.892 15.4-143.1-103.7 134.6 -9.9 -50.0 -114.7 188 197 A L - 0 0 0 24,-2.4 2,-2.5 -2,-0.4 5,-0.2 0.748 32.7-171.7 -66.5 -21.2 -9.9 -46.7 -116.8 189 198 A S - 0 0 9 23,-0.2 -1,-0.2 4,-0.1 3,-0.1 -0.185 52.0 -3.4 65.7 -45.2 -10.6 -45.0 -113.4 190 199 A A >> - 0 0 10 -2,-2.5 4,-1.1 1,-0.1 3,-1.0 -0.917 68.5-107.2-171.6 148.6 -11.3 -41.5 -114.6 191 200 A P H >> S+ 0 0 27 0, 0.0 4,-1.4 0, 0.0 3,-0.8 0.880 116.0 59.4 -49.3 -43.6 -11.4 -39.4 -117.7 192 201 A F H 3> S+ 0 0 85 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.843 98.8 57.5 -63.8 -28.3 -8.2 -37.5 -116.7 193 202 A C H <> S+ 0 0 0 -3,-1.0 4,-2.0 1,-0.2 -1,-0.3 0.885 101.6 57.6 -65.2 -34.5 -6.2 -40.8 -116.6 194 203 A V H << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.898 117.1 31.0 -62.9 -44.3 -7.1 -41.4 -120.2 195 204 A E H >< S+ 0 0 118 -4,-1.4 3,-1.7 2,-0.1 4,-0.2 0.917 118.3 51.9 -77.3 -47.7 -5.6 -38.1 -121.4 196 205 A L H 3< S+ 0 0 111 -4,-2.6 3,-0.2 1,-0.3 -3,-0.2 0.878 122.3 30.8 -61.8 -38.4 -2.8 -37.6 -119.0 197 206 A Y T 3X S+ 0 0 45 -4,-2.0 4,-3.1 -5,-0.3 5,-0.3 -0.104 78.2 139.8-111.5 33.1 -1.3 -41.1 -119.5 198 207 A K H <> S+ 0 0 85 -3,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.860 74.9 36.1 -45.3 -52.1 -2.3 -41.6 -123.2 199 208 A D H > S+ 0 0 114 2,-0.2 4,-2.0 -4,-0.2 -1,-0.2 0.915 118.7 48.6 -78.8 -38.3 0.9 -43.3 -124.5 200 209 A A H > S+ 0 0 26 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.903 113.8 48.4 -63.5 -38.4 1.6 -45.3 -121.3 201 210 A M H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.873 106.7 56.5 -70.8 -33.0 -2.0 -46.5 -121.3 202 211 A Q H X S+ 0 0 85 -4,-2.0 4,-1.2 -5,-0.3 -1,-0.2 0.948 112.0 42.7 -61.5 -42.0 -1.8 -47.4 -125.0 203 212 A S H X S+ 0 0 49 -4,-2.0 4,-0.7 1,-0.2 3,-0.4 0.941 113.6 51.4 -67.5 -45.4 1.1 -49.7 -124.2 204 213 A L H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.889 104.0 58.2 -57.6 -41.3 -0.5 -51.1 -121.1 205 214 A L H >< S+ 0 0 0 -4,-2.9 3,-2.2 1,-0.3 -1,-0.2 0.854 97.3 60.8 -61.6 -34.2 -3.7 -51.9 -123.1 206 215 A L H 3< S+ 0 0 77 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.760 109.4 43.9 -62.5 -24.6 -1.7 -54.1 -125.4 207 216 A H T << S+ 0 0 50 -3,-1.4 2,-0.4 -4,-0.7 -1,-0.3 0.175 96.3 106.2 -98.9 11.9 -0.8 -56.2 -122.3 208 217 A T < - 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