==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-AUG-00 1FJ2 . COMPND 2 MOLECULE: PROTEIN (ACYL PROTEIN THIOESTERASE 1); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.DEVEDJIEV,Z.DAUTER,S.KUZNETSOV,T.JONES,Z.DEREWENDA . 458 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 4.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 25 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 0 0 0 0 2 1 0 1 0 4 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 4 2 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 . 2 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 -5 A M 0 0 64 0, 0.0 5,-0.1 0, 0.0 94,-0.1 0.000 360.0 360.0 360.0 119.2 -5.8 42.8 40.7 2 -4 A D >> - 0 0 56 89,-0.2 4,-1.7 3,-0.2 3,-0.5 0.305 360.0 -85.2 -68.2-179.0 -9.4 41.7 40.7 3 -3 A P G >4 S+ 0 0 115 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.877 124.1 42.9 -60.4 -54.6 -11.2 38.7 42.3 4 -2 A E G >4 S+ 0 0 90 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.840 114.8 55.4 -50.2 -37.0 -10.7 36.0 39.7 5 -1 A F G X4 S+ 0 0 14 -3,-0.5 3,-0.6 1,-0.2 -1,-0.2 0.746 103.7 52.3 -82.5 -19.1 -7.1 37.2 39.4 6 1 A M G << S+ 0 0 125 -4,-1.7 -1,-0.2 -3,-0.7 -2,-0.2 0.287 84.5 86.9 -97.2 20.4 -6.3 36.9 43.1 7 2 A S G < S+ 0 0 83 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.1 0.753 80.3 79.8 -73.9 -21.6 -7.5 33.3 43.2 8 3 A T S < S- 0 0 32 -3,-0.6 287,-0.1 -4,-0.2 48,-0.0 -0.362 90.1 -97.6 -86.3 164.9 -4.0 32.2 42.1 9 4 A P - 0 0 32 0, 0.0 46,-0.5 0, 0.0 -1,-0.1 -0.238 55.6 -80.8 -55.2 165.5 -0.8 31.8 44.1 10 5 A L - 0 0 141 1,-0.2 3,-0.1 44,-0.1 -4,-0.0 -0.263 68.6 -75.1 -64.7 159.0 1.7 34.7 44.0 11 6 A P - 0 0 32 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.124 41.7-107.5 -59.4 152.5 3.9 34.7 41.0 12 7 A A E -A 53 0A 5 41,-2.3 41,-3.3 -3,-0.1 2,-0.4 -0.602 50.2-162.3 -70.7 133.6 6.8 32.4 40.3 13 8 A I E -A 52 0A 84 -2,-0.3 39,-0.2 39,-0.2 37,-0.0 -0.972 31.1-159.9-132.5 135.1 9.8 34.6 40.8 14 9 A V E -A 51 0A 5 37,-2.4 37,-2.5 -2,-0.4 -2,-0.0 -0.962 36.1-140.8 -99.4 107.7 13.5 34.6 39.8 15 10 A P - 0 0 78 0, 0.0 2,-0.3 0, 0.0 34,-0.1 -0.215 13.7-106.9 -69.1 155.9 15.0 37.1 42.3 16 11 A A - 0 0 20 1,-0.1 4,-0.2 32,-0.1 31,-0.2 -0.713 18.4-146.6 -73.2 135.4 17.7 39.5 41.6 17 12 A A S S+ 0 0 94 -2,-0.3 31,-0.2 29,-0.2 -1,-0.1 0.915 91.7 35.7 -69.3 -49.6 21.1 38.6 43.1 18 13 A R S S- 0 0 158 29,-2.8 2,-0.3 1,-0.2 -2,-0.1 0.056 127.4 -60.3 -76.9-160.3 22.0 42.2 43.6 19 14 A K - 0 0 189 -4,-0.1 2,-0.4 1,-0.0 -1,-0.2 -0.735 66.4-106.4 -82.0 141.9 19.2 44.6 44.6 20 15 A A + 0 0 37 -2,-0.3 29,-0.2 -4,-0.2 28,-0.1 -0.577 44.5 167.8 -79.5 125.5 16.6 44.6 41.8 21 16 A T S S+ 0 0 57 27,-2.5 2,-0.3 -2,-0.4 28,-0.2 0.341 70.2 20.5-112.5 5.0 16.7 47.8 39.7 22 17 A A E -b 49 0A 0 26,-1.1 28,-2.1 86,-0.1 2,-0.3 -0.961 67.4-149.6-162.8 168.5 14.5 46.4 36.9 23 18 A A E -bc 50 113A 0 89,-2.1 91,-2.2 -2,-0.3 2,-0.4 -0.989 9.1-150.5-149.7 152.2 11.9 43.6 36.3 24 19 A V E -bc 51 114A 1 26,-2.2 28,-3.2 -2,-0.3 2,-0.6 -0.999 11.4-161.9-119.7 121.8 10.6 41.4 33.6 25 20 A I E -bc 52 115A 0 89,-2.3 91,-2.7 -2,-0.4 2,-0.5 -0.967 14.7-170.4-104.9 119.2 6.9 40.3 33.9 26 21 A F E - c 0 116A 1 26,-2.7 2,-0.6 -2,-0.6 91,-0.3 -0.954 8.5-153.8-123.0 124.0 6.4 37.3 31.7 27 22 A L E - c 0 117A 0 89,-2.4 91,-2.4 -2,-0.5 98,-0.1 -0.883 12.8-138.6-104.9 120.0 3.0 35.8 30.9 28 23 A H - 0 0 7 -2,-0.6 44,-0.2 26,-0.5 2,-0.1 -0.083 13.6-128.5 -73.0 170.0 2.6 32.2 30.1 29 24 A G - 0 0 0 1,-0.2 2,-0.1 91,-0.2 90,-0.1 -0.393 48.7 -52.5-103.8-174.2 0.3 30.7 27.4 30 25 A L S S+ 0 0 31 1,-0.2 2,-1.1 -2,-0.1 -1,-0.2 -0.404 123.7 1.0 -65.8 134.1 -2.3 27.9 27.4 31 26 A G S S+ 0 0 15 39,-0.5 231,-0.3 1,-0.2 -1,-0.2 -0.285 108.8 93.7 84.7 -57.8 -0.8 24.8 29.0 32 27 A D S S- 0 0 24 -2,-1.1 2,-0.3 1,-0.1 -1,-0.2 -0.289 70.1-133.2 -69.9 167.1 2.7 26.1 29.8 33 28 A T > - 0 0 20 1,-0.1 4,-2.1 -3,-0.1 5,-0.1 -0.841 19.3-116.7-123.0 161.4 3.1 27.4 33.3 34 29 A G H > S+ 0 0 1 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.896 117.4 52.7 -49.5 -50.9 4.5 30.3 35.3 35 30 A H H > S+ 0 0 36 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 105.4 52.8 -55.4 -45.6 6.9 27.8 36.9 36 31 A G H > S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.928 111.5 46.2 -57.1 -47.5 8.2 26.5 33.7 37 32 A W H X S+ 0 0 15 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.884 107.5 56.7 -64.9 -39.2 9.0 30.0 32.4 38 33 A A H X S+ 0 0 8 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.893 107.6 49.2 -62.1 -34.5 10.7 30.9 35.7 39 34 A E H X S+ 0 0 75 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.890 111.7 49.4 -69.1 -35.0 13.0 27.9 35.2 40 35 A A H >< S+ 0 0 14 -4,-2.0 3,-0.8 1,-0.2 4,-0.4 0.954 111.8 47.7 -65.2 -45.0 13.7 29.1 31.7 41 36 A F H >< S+ 0 0 0 -4,-3.1 3,-1.7 1,-0.3 4,-0.2 0.846 99.2 67.4 -71.7 -27.1 14.4 32.7 32.8 42 37 A A H >< S+ 0 0 27 -4,-2.3 3,-1.3 1,-0.3 -1,-0.3 0.893 94.9 60.5 -53.3 -35.7 16.8 31.5 35.6 43 38 A G T << S+ 0 0 70 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.691 116.0 29.8 -67.3 -19.1 19.0 30.3 32.8 44 39 A I T < S+ 0 0 16 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.066 90.3 150.1-122.8 24.0 19.4 33.9 31.4 45 40 A R < - 0 0 138 -3,-1.3 2,-0.4 -4,-0.2 -3,-0.1 -0.234 36.2-143.3 -72.5 144.9 19.0 35.8 34.6 46 41 A S > - 0 0 16 3,-0.2 3,-2.0 1,-0.1 -29,-0.2 -0.875 19.8-123.3-101.0 142.0 20.7 39.2 35.3 47 42 A S T 3 S+ 0 0 43 -2,-0.4 -29,-2.8 1,-0.3 -30,-0.1 0.743 110.2 37.2 -55.4 -26.4 22.0 40.1 38.7 48 43 A H T 3 S+ 0 0 12 -31,-0.2 -27,-2.5 -32,-0.2 -26,-1.1 0.291 101.2 84.9-110.5 11.3 19.9 43.3 38.9 49 44 A I E < - b 0 22A 0 -3,-2.0 2,-0.4 -29,-0.2 -26,-0.3 -0.941 60.2-151.6-112.4 138.6 16.7 42.1 37.3 50 45 A K E - b 0 23A 46 -28,-2.1 -26,-2.2 -2,-0.4 2,-0.5 -0.883 12.3-147.3-104.4 138.3 13.8 40.3 39.0 51 46 A Y E -Ab 14 24A 1 -37,-2.5 -37,-2.4 -2,-0.4 2,-0.5 -0.945 12.1-166.5-108.8 126.2 11.7 38.0 36.8 52 47 A I E -Ab 13 25A 2 -28,-3.2 -26,-2.7 -2,-0.5 -39,-0.2 -0.957 9.8-178.1-121.7 116.1 8.1 37.7 37.6 53 48 A C E -A 12 0A 0 -41,-3.3 -41,-2.3 -2,-0.5 -26,-0.1 -0.808 18.0-160.1-115.8 89.0 5.9 34.9 36.1 54 49 A P - 0 0 9 0, 0.0 -26,-0.5 0, 0.0 2,-0.3 -0.110 14.4-120.3 -66.7 157.7 2.4 35.4 37.3 55 50 A H - 0 0 15 -46,-0.5 -47,-0.2 -50,-0.1 -22,-0.1 -0.838 21.4-132.3 -98.1 142.7 -0.2 32.6 37.3 56 51 A A - 0 0 2 -2,-0.3 16,-0.1 1,-0.1 -22,-0.1 -0.691 31.1 -95.8 -94.1 144.3 -3.5 33.0 35.4 57 52 A P - 0 0 1 0, 0.0 14,-2.6 0, 0.0 2,-0.5 -0.199 40.5-112.0 -53.6 149.2 -6.9 32.1 36.9 58 53 A V E +G 70 0B 57 12,-0.3 10,-0.1 -54,-0.2 241,-0.1 -0.745 55.0 143.9 -91.4 123.1 -8.3 28.7 36.2 59 54 A R E -G 69 0B 31 10,-1.9 10,-2.1 -2,-0.5 14,-0.1 -0.981 55.7 -78.3-157.8 147.9 -11.4 28.7 33.9 60 55 A P E -G 68 0B 82 0, 0.0 2,-0.5 0, 0.0 8,-0.3 -0.315 41.8-147.3 -52.2 141.3 -12.8 26.6 31.1 61 56 A V E > > -G 67 0B 0 6,-1.5 5,-1.9 3,-0.2 3,-0.7 -0.963 4.9-151.1-121.8 123.4 -11.1 27.2 27.7 62 57 A T G > 5S+ 0 0 60 -2,-0.5 3,-1.3 1,-0.3 4,-0.3 0.921 95.3 56.1 -64.9 -41.0 -13.3 26.8 24.6 63 58 A L G 3 5S+ 0 0 32 12,-2.3 -1,-0.3 1,-0.3 13,-0.1 0.788 105.7 52.6 -59.6 -32.6 -10.4 25.7 22.4 64 59 A N G X 5S- 0 0 4 -3,-0.7 3,-1.6 11,-0.2 -1,-0.3 -0.223 129.4 -91.4 -99.7 37.0 -9.6 22.8 24.7 65 60 A M T < 5S- 0 0 76 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.2 0.835 79.7 -61.8 57.5 33.3 -13.2 21.4 24.8 66 61 A N T 3 S- 0 0 67 4,-0.1 3,-2.8 98,-0.1 -2,-0.1 -0.844 81.1-111.7-102.5 162.4 -7.4 31.0 12.8 80 75 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.807 120.2 51.9 -63.6 -24.9 -7.1 34.6 11.7 81 76 A D T 3 S+ 0 0 139 2,-0.0 -3,-0.0 -3,-0.0 0, 0.0 0.425 82.4 126.7 -79.8 -10.0 -10.9 34.7 11.5 82 77 A S < - 0 0 26 -3,-2.8 2,-0.1 1,-0.1 0, 0.0 -0.292 65.1-113.4 -66.9 145.3 -11.5 33.4 15.0 83 78 A Q - 0 0 153 1,-0.0 -7,-0.5 2,-0.0 -6,-0.4 -0.470 36.6-143.3 -70.5 142.9 -13.8 35.3 17.3 84 79 A E B -H 75 0C 75 -2,-0.1 2,-1.9 -8,-0.1 3,-0.2 -0.859 18.4-113.0-116.8 151.8 -11.9 36.7 20.3 85 80 A D > + 0 0 40 -11,-0.7 4,-2.6 -2,-0.3 5,-0.2 -0.496 42.1 172.8 -80.7 79.2 -12.7 37.1 24.0 86 81 A E H > S+ 0 0 100 -2,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.907 74.2 44.8 -59.5 -46.1 -12.7 40.9 23.9 87 82 A S H > S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.913 114.2 49.7 -71.1 -33.7 -14.0 41.5 27.5 88 83 A G H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.841 110.2 51.1 -71.9 -35.3 -11.7 38.9 28.9 89 84 A I H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.950 112.2 45.8 -63.1 -51.5 -8.7 40.4 27.1 90 85 A K H X S+ 0 0 91 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.919 113.4 49.8 -56.9 -42.0 -9.5 43.9 28.5 91 86 A Q H X S+ 0 0 57 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.920 111.6 48.2 -61.4 -44.3 -10.1 42.5 32.0 92 87 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.912 108.3 55.3 -64.3 -40.5 -6.8 40.6 31.8 93 88 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.918 105.5 52.2 -58.9 -42.3 -5.1 43.8 30.6 94 89 A E H X S+ 0 0 115 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.901 109.6 49.3 -61.3 -36.9 -6.4 45.7 33.7 95 90 A N H X S+ 0 0 9 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.854 110.3 50.5 -66.5 -36.6 -5.0 43.0 36.0 96 91 A I H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.919 108.5 51.8 -69.6 -38.3 -1.6 43.2 34.2 97 92 A K H X S+ 0 0 38 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.878 109.2 51.9 -59.5 -37.1 -1.5 46.9 34.6 98 93 A A H X S+ 0 0 27 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.883 108.0 51.1 -64.5 -39.3 -2.2 46.3 38.3 99 94 A L H X S+ 0 0 8 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.933 110.0 48.6 -67.3 -39.6 0.7 44.0 38.5 100 95 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 3,-0.4 0.945 109.3 54.4 -61.2 -48.5 3.0 46.5 36.9 101 96 A D H X S+ 0 0 62 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.848 101.8 57.6 -54.0 -38.3 1.7 49.1 39.3 102 97 A Q H X S+ 0 0 74 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.893 108.5 46.5 -61.0 -40.0 2.6 46.8 42.2 103 98 A E H <>S+ 0 0 16 -4,-1.6 5,-2.1 -3,-0.4 -2,-0.2 0.897 111.1 52.5 -65.2 -41.4 6.2 46.8 41.0 104 99 A V H ><5S+ 0 0 53 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.939 108.3 50.1 -61.1 -45.9 6.1 50.6 40.6 105 100 A K H 3<5S+ 0 0 160 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.762 105.6 58.7 -63.7 -21.4 4.9 50.9 44.2 106 101 A N T 3<5S- 0 0 130 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.359 129.1 -91.6 -84.9 5.7 7.8 48.7 45.3 107 102 A G T < 5S+ 0 0 62 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.362 91.4 114.7 108.7 -5.2 10.4 51.1 43.8 108 103 A I < - 0 0 12 -5,-2.1 -1,-0.2 -86,-0.0 -2,-0.2 -0.885 62.1-133.7-103.8 115.2 10.9 49.8 40.3 109 104 A P > - 0 0 63 0, 0.0 3,-2.4 0, 0.0 -5,-0.0 -0.297 18.0-117.7 -67.0 151.2 9.8 52.4 37.7 110 105 A S G > S+ 0 0 23 1,-0.3 3,-2.0 2,-0.2 27,-0.8 0.839 113.7 65.1 -62.9 -28.6 7.6 51.2 34.8 111 106 A N G 3 S+ 0 0 87 1,-0.3 -1,-0.3 25,-0.2 25,-0.1 0.470 99.4 54.4 -75.4 3.7 10.4 52.4 32.4 112 107 A R G < S+ 0 0 34 -3,-2.4 -89,-2.1 23,-0.2 2,-0.4 0.021 95.4 89.9-111.5 26.9 12.6 49.7 34.0 113 108 A I E < -c 23 0A 0 -3,-2.0 24,-2.8 -91,-0.2 25,-0.7 -0.986 57.0-161.2-125.6 128.0 10.0 46.9 33.3 114 109 A I E -cd 24 138A 0 -91,-2.2 -89,-2.3 -2,-0.4 2,-0.4 -0.928 10.2-155.8-100.7 133.3 9.8 44.7 30.2 115 110 A L E +cd 25 139A 0 23,-2.0 25,-1.3 -2,-0.4 2,-0.3 -0.930 28.2 147.3-104.6 134.0 6.4 43.0 29.7 116 111 A G E +cd 26 140A 0 -91,-2.7 -89,-2.4 -2,-0.4 2,-0.3 -0.917 14.5 168.7-153.1 176.7 6.4 39.8 27.6 117 112 A G E -cd 27 141A 0 23,-2.3 25,-2.8 -2,-0.3 2,-0.4 -0.973 31.7 -98.4-178.4 179.8 4.8 36.4 27.2 118 113 A F E > S- d 0 142A 4 -91,-2.4 3,-2.0 -2,-0.3 25,-0.2 -0.917 77.9 -37.7-119.5 131.0 4.2 33.3 25.2 119 114 A S T >> S+ 0 0 9 23,-2.5 4,-2.6 -2,-0.4 3,-0.9 -0.318 138.8 6.6 53.0-123.3 1.2 32.6 22.9 120 115 A Q H 3> S+ 0 0 2 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.858 135.4 55.6 -66.2 -24.9 -1.9 34.1 24.5 121 116 A G H <> S+ 0 0 0 -3,-2.0 4,-1.7 2,-0.2 -1,-0.3 0.849 108.9 46.3 -67.3 -32.6 0.4 35.6 27.2 122 117 A G H <> S+ 0 0 0 -3,-0.9 4,-2.5 20,-0.3 -2,-0.2 0.869 110.5 52.8 -71.2 -40.1 2.4 37.3 24.5 123 118 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.941 110.6 48.2 -56.1 -47.6 -0.7 38.5 22.8 124 119 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.871 107.5 55.0 -63.2 -37.6 -1.7 40.0 26.2 125 120 A S H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.935 111.2 44.9 -62.6 -41.9 1.6 41.6 26.7 126 121 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 19,-0.2 -2,-0.2 0.951 114.9 47.4 -62.2 -47.7 1.3 43.4 23.3 127 122 A Y H < S+ 0 0 19 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.923 115.1 46.4 -58.3 -44.5 -2.3 44.4 24.0 128 123 A T H >X S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 4,-0.9 0.945 112.9 47.6 -67.7 -47.7 -1.4 45.6 27.5 129 124 A A H 3< S+ 0 0 2 -4,-2.4 3,-0.5 -5,-0.3 -1,-0.2 0.899 112.5 49.9 -65.8 -36.5 1.7 47.6 26.5 130 125 A L T 3< S+ 0 0 13 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.423 117.5 39.7 -79.4 0.9 -0.1 49.3 23.6 131 126 A T T <4 S+ 0 0 45 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.2 0.359 97.1 86.9-129.8 -0.8 -3.1 50.4 25.7 132 127 A T < - 0 0 6 -4,-0.9 29,-0.3 -3,-0.5 28,-0.2 -0.764 63.2-146.0 -98.4 152.0 -1.5 51.5 29.0 133 128 A Q S S+ 0 0 136 -2,-0.3 2,-0.5 27,-0.1 -1,-0.1 0.409 71.3 110.1 -98.9 17.0 -0.2 54.9 29.8 134 129 A Q S S- 0 0 37 -24,-0.0 2,-0.3 1,-0.0 -2,-0.2 -0.717 75.1-129.5 -75.0 120.2 2.5 53.2 31.9 135 130 A K - 0 0 125 -2,-0.5 2,-0.3 2,-0.0 -22,-0.2 -0.561 31.2-165.7 -74.5 128.1 5.7 53.8 30.0 136 131 A L - 0 0 6 -2,-0.3 -25,-0.2 -25,-0.1 29,-0.2 -0.786 27.4-128.4-115.3 161.6 7.5 50.4 29.7 137 132 A A S S- 0 0 17 -24,-2.8 28,-0.4 -27,-0.8 2,-0.3 0.753 75.2 -49.0 -78.4 -21.6 11.0 49.5 28.7 138 133 A G E -d 114 0A 0 -25,-0.7 -23,-2.0 26,-0.1 2,-0.4 -0.934 47.2-114.4 165.2 168.9 10.1 47.0 26.0 139 134 A V E -de 115 166A 1 26,-1.8 28,-2.4 -2,-0.3 2,-0.6 -0.998 8.7-158.8-134.4 137.6 8.0 43.9 25.1 140 135 A T E -de 116 167A 0 -25,-1.3 -23,-2.3 -2,-0.4 2,-0.7 -0.937 15.6-173.7-115.7 110.4 9.1 40.4 24.3 141 136 A A E -de 117 168A 0 26,-2.6 28,-2.3 -2,-0.6 2,-0.5 -0.883 4.7-168.6-113.1 108.4 6.3 38.7 22.3 142 137 A L E -de 118 169A 0 -25,-2.8 -23,-2.5 -2,-0.7 -20,-0.3 -0.862 61.8 -23.7-109.5 128.6 6.9 35.0 21.7 143 138 A S S S+ 0 0 0 26,-2.9 -1,-0.2 -2,-0.5 2,-0.2 0.874 108.7 109.5 44.5 57.4 4.8 32.8 19.3 144 139 A C - 0 0 0 25,-0.4 2,-0.3 -3,-0.3 41,-0.2 -0.572 56.8-128.0-143.4-160.2 1.8 35.1 19.5 145 140 A W - 0 0 28 -26,-0.4 -19,-0.2 -2,-0.2 37,-0.1 -0.937 34.3 -95.8-152.4 165.3 -0.5 37.6 17.8 146 141 A L > - 0 0 6 -2,-0.3 3,-0.6 35,-0.3 -23,-0.1 -0.840 44.9-136.2 -94.0 116.5 -2.0 41.0 18.5 147 142 A P T 3 S+ 0 0 0 0, 0.0 4,-0.1 0, 0.0 -63,-0.0 -0.443 81.8 11.6 -69.5 151.0 -5.4 40.5 20.0 148 143 A L T > S+ 0 0 19 1,-0.1 3,-1.6 2,-0.1 4,-0.3 0.896 78.2 169.9 50.5 48.4 -8.4 42.6 18.8 149 144 A R G X + 0 0 102 -3,-0.6 3,-1.9 1,-0.3 -1,-0.1 0.889 68.2 58.4 -64.5 -39.3 -6.2 43.8 15.9 150 145 A A G 3 S+ 0 0 80 1,-0.3 -1,-0.3 4,-0.0 -2,-0.1 0.653 96.5 64.5 -67.7 -11.8 -9.0 45.5 14.1 151 146 A S G < S+ 0 0 78 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.542 88.5 89.5 -82.7 -12.3 -9.7 47.8 17.2 152 147 A F S < S- 0 0 19 -3,-1.9 5,-0.0 -4,-0.3 -4,-0.0 -0.508 90.5 -90.6 -85.0 158.6 -6.3 49.4 16.8 153 148 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.191 25.1-128.1 -52.4 152.7 -5.5 52.5 14.8 154 149 A Q S S+ 0 0 184 2,-0.1 3,-0.1 -4,-0.0 -2,-0.0 0.576 96.8 23.6 -78.4 1.1 -4.5 52.1 11.1 155 150 A G S S- 0 0 23 1,-0.3 36,-0.1 37,-0.1 0, 0.0 -0.415 118.6 -18.8-133.4-153.6 -1.5 54.3 11.9 156 151 A P - 0 0 105 0, 0.0 -1,-0.3 0, 0.0 37,-0.2 -0.246 44.4-148.2 -63.9 150.2 0.4 55.2 15.1 157 152 A I - 0 0 41 35,-2.4 36,-0.1 1,-0.2 5,-0.1 0.656 28.4-165.4 -88.5 -24.4 -1.1 54.6 18.5 158 153 A G + 0 0 28 34,-0.6 3,-0.4 4,-0.1 -1,-0.2 -0.203 39.1 95.1 66.7-164.3 0.6 57.6 20.2 159 154 A G S > S- 0 0 33 1,-0.2 3,-1.5 2,-0.1 -1,-0.1 -0.172 95.5 -33.3 72.9-163.6 0.6 57.8 24.1 160 155 A A T 3 S+ 0 0 23 1,-0.3 3,-0.3 -28,-0.2 -1,-0.2 0.732 135.3 43.0 -69.8 -29.2 3.3 56.6 26.4 161 156 A N T > S+ 0 0 3 -3,-0.4 3,-2.1 -29,-0.3 -1,-0.3 0.111 72.3 119.3-106.5 25.8 4.6 53.5 24.6 162 157 A R T < S+ 0 0 131 -3,-1.5 32,-1.9 1,-0.3 -1,-0.2 0.771 85.7 36.2 -60.6 -24.0 4.7 55.0 21.1 163 158 A D T 3 S+ 0 0 87 -3,-0.3 -1,-0.3 30,-0.2 -2,-0.1 0.103 88.1 144.2-115.7 26.3 8.5 54.5 20.9 164 159 A I < - 0 0 7 -3,-2.1 2,-0.3 1,-0.1 33,-0.2 -0.276 50.5-120.8 -74.0 148.5 8.6 51.1 22.8 165 160 A S - 0 0 22 -28,-0.4 -26,-1.8 -29,-0.2 2,-0.4 -0.700 31.9-172.0 -84.4 135.5 11.1 48.5 21.7 166 161 A I E -ef 139 198A 2 31,-2.7 33,-2.7 -2,-0.3 2,-0.5 -0.999 16.7-167.6-134.0 129.2 9.5 45.1 20.7 167 162 A L E -ef 140 199A 3 -28,-2.4 -26,-2.6 -2,-0.4 2,-0.5 -0.992 13.1-168.4-108.1 117.9 11.1 41.8 19.9 168 163 A Q E -ef 141 200A 0 31,-2.8 33,-2.5 -2,-0.5 2,-0.3 -0.933 5.7-169.2-108.9 130.6 8.6 39.4 18.3 169 164 A C E +ef 142 201A 0 -28,-2.3 -26,-2.9 -2,-0.5 -25,-0.4 -0.922 8.0 172.9-120.3 140.5 9.7 35.8 18.1 170 165 A H E - 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