==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-NOV-12 3ZBN . COMPND 2 MOLECULE: 3-KETOACYL-COA THIOLASE-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR R.K.HARIJAN,T.-R.KIEMA,M.S.WEISS,P.A.M.MICHELS,R.K.WIERENGA . 1720 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1150 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 184 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 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 . 4 0.2 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 . 88 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 236 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 454 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 44 2.6 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 16 0 10 2 4 0 0 4 0 4 4 12 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 8 4 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 . 8 4 2 0 0 4 0 8 4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 12 A A 0 0 158 0, 0.0 2,-0.3 0, 0.0 559,-0.1 0.000 360.0 360.0 360.0 139.7 -10.3 15.8 -55.5 2 13 A S - 0 0 58 557,-0.2 125,-0.1 125,-0.1 124,-0.0 -0.528 360.0-142.2 -99.6 132.0 -8.3 15.7 -52.2 3 14 A R - 0 0 89 -2,-0.3 277,-0.3 123,-0.1 258,-0.1 0.743 15.3-153.8 -70.0 -42.8 -4.4 15.7 -52.0 4 15 A V - 0 0 0 275,-0.1 276,-2.7 1,-0.1 2,-0.4 0.889 8.6-161.9 65.8 113.8 -2.7 13.5 -49.3 5 16 A F E -AB 260 279A 0 255,-2.5 255,-2.1 274,-0.3 2,-0.7 -0.943 22.9-130.2-129.5 138.6 0.7 14.1 -47.7 6 17 A I E +AB 259 278A 0 272,-3.4 272,-1.1 -2,-0.4 253,-0.2 -0.813 26.4 179.2 -85.3 118.3 3.3 12.2 -45.7 7 18 A V E - 0 0 0 251,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.780 57.9 -51.9 -93.0 -32.6 4.0 14.4 -42.7 8 19 A G E -A 258 0A 2 250,-0.9 250,-2.6 -3,-0.1 -1,-0.4 -0.962 55.0-175.7 174.1 175.9 6.5 12.1 -41.1 9 20 A G E -A 257 0A 6 -2,-0.3 2,-0.3 248,-0.3 248,-0.3 -0.930 15.5-122.2-170.7-165.2 7.2 8.6 -39.9 10 21 A H E -A 256 0A 40 246,-2.2 246,-2.5 -2,-0.3 2,-0.4 -0.951 5.0-163.5-163.2 134.7 9.5 6.1 -38.2 11 22 A I E -A 255 0A 9 -2,-0.3 244,-0.2 244,-0.2 3,-0.1 -0.993 20.2-144.0-122.7 125.9 11.2 2.8 -38.8 12 23 A T - 0 0 9 242,-2.7 2,-0.0 -2,-0.4 29,-0.0 -0.353 38.7 -83.3 -74.1 164.1 12.6 0.8 -35.9 13 24 A P - 0 0 56 0, 0.0 2,-0.5 0, 0.0 241,-0.2 -0.418 46.5-128.0 -53.5 147.3 15.8 -1.2 -36.1 14 25 A F - 0 0 1 195,-2.6 2,-0.3 361,-0.2 239,-0.2 -0.945 35.1-170.7-108.0 126.1 15.0 -4.5 -37.8 15 26 A V B +T 252 0B 24 237,-2.0 237,-2.1 -2,-0.5 2,-0.3 -0.880 22.5 109.9-129.1 145.3 16.3 -7.4 -35.7 16 27 A G > - 0 0 0 -2,-0.3 3,-2.5 235,-0.2 6,-0.3 -0.967 69.5 -17.2 178.6-169.4 16.8 -11.1 -35.8 17 28 A K T 3 S+ 0 0 162 233,-0.3 233,-0.1 -2,-0.3 6,-0.1 -0.280 127.9 28.1 -52.3 129.6 19.5 -13.9 -36.0 18 29 A G T 3 S+ 0 0 33 1,-0.4 -1,-0.3 4,-0.1 196,-0.2 0.138 94.6 109.7 102.7 -21.4 22.7 -12.2 -37.2 19 30 A S X - 0 0 11 -3,-2.5 3,-1.2 1,-0.1 -1,-0.4 -0.755 67.0-140.0 -86.9 137.7 22.0 -8.8 -35.8 20 31 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.696 105.1 60.8 -65.7 -19.7 24.1 -7.6 -32.8 21 32 A L T 3 S+ 0 0 96 190,-0.2 2,-0.5 -7,-0.1 -6,-0.1 0.634 85.9 94.3 -78.1 -15.3 20.8 -6.1 -31.4 22 33 A F S < S- 0 0 20 -3,-1.2 2,-0.8 -6,-0.3 -4,-0.1 -0.674 74.5-137.2 -86.0 128.1 19.3 -9.6 -31.3 23 34 A I + 0 0 27 -2,-0.5 2,-0.2 6,-0.1 12,-0.2 -0.716 43.1 140.2 -91.7 108.9 19.6 -11.4 -28.0 24 35 A D S > S- 0 0 57 -2,-0.8 3,-2.9 10,-0.1 6,-0.2 -0.711 70.1 -67.2-133.4-176.8 20.5 -15.0 -28.4 25 36 A K T 3 S+ 0 0 184 1,-0.3 5,-0.1 -2,-0.2 -2,-0.0 0.814 133.0 48.6 -43.5 -38.0 22.8 -17.6 -26.7 26 37 A K T 3 S+ 0 0 199 3,-0.1 -1,-0.3 2,-0.0 -3,-0.1 0.534 88.0 107.2 -82.6 -7.9 25.8 -15.6 -27.8 27 38 A H S X S- 0 0 38 -3,-2.9 3,-2.9 1,-0.1 -4,-0.1 -0.574 75.2-126.1 -83.5 136.4 24.6 -12.2 -26.7 28 39 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.824 111.9 44.4 -37.9 -45.3 26.2 -10.5 -23.7 29 40 A D T >> S+ 0 0 49 3,-0.1 4,-2.6 2,-0.1 3,-1.7 0.244 80.4 142.6 -93.6 14.6 22.7 -10.1 -22.1 30 41 A F T <4 S+ 0 0 109 -3,-2.9 4,-0.1 1,-0.3 -5,-0.1 -0.234 76.8 9.3 -54.2 142.4 21.4 -13.5 -22.9 31 42 A G T 34 S+ 0 0 71 2,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.152 126.9 66.0 72.9 -21.6 19.2 -14.9 -20.1 32 43 A K T <4 S+ 0 0 166 -3,-1.7 2,-0.3 1,-0.3 -2,-0.2 0.853 106.2 23.1 -97.9 -48.0 19.3 -11.4 -18.5 33 44 A K S < S- 0 0 127 -4,-2.6 -2,-0.3 0, 0.0 2,-0.3 -0.881 71.5-138.7-123.4 157.8 17.4 -9.2 -21.0 34 45 A K - 0 0 194 -2,-0.3 3,-0.1 -4,-0.1 2,-0.1 -0.789 19.6-106.4-115.1 155.2 14.8 -10.0 -23.7 35 46 A N - 0 0 42 -2,-0.3 -13,-0.1 -12,-0.2 -1,-0.1 -0.384 56.8 -82.4 -68.2 154.0 14.0 -8.9 -27.3 36 47 A M - 0 0 96 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.248 42.4-132.1 -60.4 143.9 11.0 -6.7 -27.7 37 48 A T > - 0 0 40 -3,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.404 30.8 -99.5 -82.3 171.4 7.5 -8.2 -27.9 38 49 A L H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.897 126.9 51.9 -58.7 -42.9 4.9 -7.3 -30.5 39 50 A E H > S+ 0 0 10 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 111.1 48.2 -60.0 -40.9 3.3 -5.0 -28.0 40 51 A E H > S+ 0 0 76 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.919 111.2 47.9 -70.0 -44.6 6.6 -3.3 -27.4 41 52 A I H X S+ 0 0 9 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.904 111.6 51.1 -59.5 -42.6 7.5 -2.9 -31.0 42 53 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.901 110.9 49.4 -65.5 -39.0 4.0 -1.5 -31.7 43 54 A A H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.953 111.5 47.3 -64.3 -48.6 4.5 0.9 -28.8 44 55 A T H X S+ 0 0 46 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.861 115.7 46.9 -57.5 -37.4 8.0 2.1 -30.0 45 56 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.899 111.9 47.1 -77.1 -43.2 6.6 2.5 -33.5 46 57 A V H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.957 118.9 42.4 -62.0 -45.6 3.5 4.4 -32.6 47 58 A Q H X S+ 0 0 78 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.880 113.1 51.8 -71.1 -38.8 5.5 6.7 -30.3 48 59 A G H X S+ 0 0 11 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.930 110.7 49.7 -58.2 -43.6 8.4 7.1 -32.8 49 60 A T H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.847 111.1 47.4 -70.7 -34.1 6.0 8.1 -35.5 50 61 A M H <>S+ 0 0 1 -4,-1.8 5,-2.5 -5,-0.2 6,-0.5 0.950 113.3 49.8 -68.3 -45.3 4.1 10.7 -33.4 51 62 A E H ><5S+ 0 0 116 -4,-2.5 3,-1.9 1,-0.2 5,-0.3 0.956 111.9 45.0 -59.6 -54.7 7.4 12.2 -32.3 52 63 A H H 3<5S+ 0 0 109 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.737 111.2 55.5 -67.4 -17.1 9.0 12.5 -35.7 53 64 A S T 3<5S- 0 0 0 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.427 115.6-111.8 -94.8 1.7 5.8 13.9 -37.1 54 65 A G T < 5S+ 0 0 29 -3,-1.9 -3,-0.2 -4,-0.4 -2,-0.1 0.782 84.6 117.3 76.7 28.3 5.6 16.8 -34.5 55 66 A L > < + 0 0 0 -5,-2.5 3,-2.6 -6,-0.1 -4,-0.2 0.417 27.7 127.6-109.3 -1.1 2.5 15.4 -32.8 56 67 A S T 3 S+ 0 0 56 -6,-0.5 -9,-0.0 -5,-0.3 0, 0.0 -0.424 83.4 17.4 -56.1 124.3 4.0 14.7 -29.3 57 68 A G T 3 S+ 0 0 73 -2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.296 126.4 56.6 93.2 -6.4 1.6 16.5 -26.9 58 69 A R X + 0 0 103 -3,-2.6 3,-2.0 1,-0.0 4,-0.2 -0.019 56.2 134.4-140.4 37.4 -1.2 16.8 -29.4 59 70 A E G > + 0 0 32 1,-0.3 3,-1.9 -4,-0.2 -3,-0.1 0.724 59.2 81.1 -60.5 -18.5 -1.8 13.2 -30.4 60 71 A G G 3 S+ 0 0 31 1,-0.3 -1,-0.3 -5,-0.1 -2,-0.0 0.669 78.0 67.5 -61.3 -18.2 -5.6 13.8 -30.0 61 72 A I G < S+ 0 0 34 -3,-2.0 2,-0.3 -6,-0.2 -1,-0.3 0.575 74.0 102.6 -84.6 -7.1 -5.7 15.5 -33.4 62 73 A V < - 0 0 0 -3,-1.9 72,-0.2 -4,-0.2 3,-0.1 -0.616 59.2-162.5 -66.9 130.5 -5.0 12.1 -35.1 63 74 A D - 0 0 36 70,-2.5 2,-0.3 -2,-0.3 71,-0.2 0.776 59.2 -4.2 -92.7 -27.9 -8.4 11.0 -36.3 64 75 A Q E -c 134 0A 16 69,-0.9 71,-2.8 39,-0.2 2,-0.4 -0.997 53.6-141.0-167.9 159.3 -7.7 7.3 -36.9 65 76 A V E -cd 135 105A 1 39,-2.2 41,-1.2 -2,-0.3 2,-0.4 -0.970 8.4-171.0-129.4 136.9 -5.3 4.4 -36.8 66 77 A V E -cd 136 106A 0 69,-2.3 71,-2.4 -2,-0.4 2,-0.5 -0.998 12.0-155.0-129.2 132.4 -4.8 1.4 -39.1 67 78 A V E -cd 137 107A 0 39,-2.8 41,-2.4 -2,-0.4 2,-0.6 -0.927 3.3-151.7-112.8 128.4 -2.4 -1.4 -38.2 68 79 A G E +cd 138 108A 0 69,-2.9 71,-2.2 -2,-0.5 2,-0.3 -0.870 33.6 144.5 -96.5 122.6 -0.7 -3.6 -40.7 69 80 A N - 0 0 0 39,-1.5 42,-0.1 -2,-0.6 71,-0.1 -0.977 26.8-172.6-153.6 144.3 0.1 -7.1 -39.4 70 81 A F S S+ 0 0 2 69,-0.3 3,-0.2 -2,-0.3 41,-0.1 0.899 80.0 10.5-101.8 -52.7 0.1 -10.5 -41.0 71 82 A L S >> S+ 0 0 1 1,-0.1 4,-2.7 2,-0.1 3,-2.1 0.105 73.8 123.0-127.9 22.6 0.8 -13.2 -38.3 72 83 A G H 3> S+ 0 0 1 1,-0.3 4,-2.2 2,-0.2 6,-1.9 0.872 76.4 62.5 -46.6 -41.6 0.6 -11.8 -34.8 73 84 A E H 34 S+ 0 0 1 4,-0.3 -1,-0.3 1,-0.2 6,-0.2 0.717 114.4 31.6 -62.4 -22.8 -2.1 -14.3 -34.0 74 85 A L H <4 S+ 0 0 15 -3,-2.1 -2,-0.2 4,-0.2 -1,-0.2 0.850 124.3 39.9-101.0 -52.0 0.3 -17.2 -34.6 75 86 A F H < S+ 0 0 13 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.776 137.2 15.5 -70.6 -29.6 3.7 -15.9 -33.6 76 87 A S S < S- 0 0 28 -4,-2.2 -1,-0.2 -5,-0.4 -3,-0.2 0.206 96.0-120.6-128.2 5.7 2.5 -13.9 -30.5 77 88 A S S S+ 0 0 30 -6,-0.3 2,-0.4 -5,-0.2 -4,-0.3 0.826 75.6 123.8 55.6 33.4 -0.9 -15.4 -29.9 78 89 A Q + 0 0 2 -6,-1.9 -4,-0.2 -7,-0.1 -1,-0.2 -0.939 26.1 153.1-138.2 114.4 -2.2 -11.8 -30.4 79 90 A G + 0 0 0 508,-1.9 512,-0.1 -2,-0.4 5,-0.1 -0.261 50.2 70.0-106.5-157.1 -4.8 -10.4 -32.8 80 91 A H > + 0 0 0 1,-0.2 4,-0.7 -2,-0.1 -1,-0.1 0.877 52.8 167.3 55.5 43.1 -7.1 -7.4 -32.4 81 92 A L H > + 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.494 55.6 83.4 -71.1 -3.8 -4.2 -5.0 -32.7 82 93 A G H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.994 98.2 36.4 -63.2 -59.7 -6.5 -2.1 -33.2 83 94 A P H > S+ 0 0 0 0, 0.0 638,-1.6 0, 0.0 4,-1.3 0.759 113.1 60.8 -66.3 -19.5 -7.1 -1.6 -29.5 84 95 A A H < S+ 0 0 0 -4,-0.7 3,-0.3 2,-0.2 -2,-0.2 0.920 106.0 47.9 -66.1 -42.7 -3.5 -2.5 -28.9 85 96 A A H >< S+ 0 0 2 -4,-2.5 3,-2.0 1,-0.2 4,-0.4 0.900 105.8 56.5 -63.0 -43.8 -2.6 0.4 -31.0 86 97 A I H 3< S+ 0 0 0 -4,-1.9 3,-0.4 1,-0.3 14,-0.3 0.851 111.9 44.1 -59.5 -30.6 -5.0 2.7 -29.1 87 98 A G T 3< S+ 0 0 1 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.210 91.6 88.0 -97.9 15.8 -3.1 1.8 -25.9 88 99 A S S X S+ 0 0 0 -3,-2.0 3,-0.9 1,-0.2 -41,-0.2 0.717 73.4 66.9 -90.1 -21.3 0.4 2.1 -27.5 89 100 A L T 3 S+ 0 0 20 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.1 0.872 118.0 23.5 -67.4 -33.7 0.9 5.8 -26.8 90 101 A T T > S+ 0 0 13 -4,-0.2 3,-1.9 6,-0.1 -1,-0.3 -0.163 88.0 169.9-125.6 34.0 1.0 5.3 -23.0 91 102 A Y T < + 0 0 64 -3,-0.9 -3,-0.1 1,-0.3 3,-0.0 -0.265 67.8 9.3 -60.2 133.8 2.0 1.6 -23.0 92 103 A G T 3 S+ 0 0 75 -5,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.585 100.3 106.0 73.9 12.9 3.0 0.3 -19.5 93 104 A Q X - 0 0 104 -3,-1.9 3,-1.5 3,-0.1 -1,-0.1 -0.717 64.4-149.4-124.5 79.7 1.8 3.5 -17.7 94 105 A A T 3 S+ 0 0 91 -2,-0.4 629,-0.0 1,-0.2 -3,-0.0 -0.079 73.8 9.5 -48.9 136.1 -1.5 2.4 -16.0 95 106 A G T 3 S+ 0 0 43 1,-0.2 1042,-0.3 1041,-0.0 -1,-0.2 0.186 88.3 145.6 80.9 -16.3 -4.2 5.1 -15.6 96 107 A S < - 0 0 47 -3,-1.5 -1,-0.2 -6,-0.2 2,-0.1 -0.189 61.4 -95.4 -61.9 142.7 -2.5 7.7 -17.7 97 108 A K - 0 0 99 1,-0.1 -1,-0.1 2,-0.0 1039,-0.0 -0.380 41.4-159.1 -59.7 125.7 -4.6 10.1 -19.8 98 109 A N > - 0 0 13 -2,-0.1 3,-1.1 1,-0.1 -1,-0.1 -0.917 15.3-169.3-116.1 106.9 -4.9 8.6 -23.4 99 110 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.639 85.1 61.9 -72.7 -10.9 -5.8 11.0 -26.1 100 111 A L T > S+ 0 0 2 -14,-0.3 3,-1.8 2,-0.1 618,-0.2 0.547 73.4 128.2 -86.6 -10.5 -6.4 8.2 -28.6 101 112 A M T < S+ 0 0 56 -3,-1.1 618,-0.2 1,-0.2 -14,-0.0 -0.171 75.7 8.3 -49.7 132.9 -9.2 6.6 -26.6 102 113 A Y T 3 S+ 0 0 23 616,-1.8 -1,-0.2 1,-0.2 617,-0.2 0.389 93.4 129.6 79.0 0.5 -12.4 6.0 -28.7 103 114 A K < - 0 0 37 -3,-1.8 615,-1.5 615,-0.4 -1,-0.2 -0.378 69.0 -87.3 -78.0 160.1 -11.0 6.8 -32.1 104 115 A P + 0 0 30 0, 0.0 -39,-2.2 0, 0.0 2,-0.3 -0.486 55.9 162.1 -69.0 138.8 -11.4 4.4 -35.0 105 116 A A E +d 65 0A 2 -41,-0.2 2,-0.3 -2,-0.2 -39,-0.2 -0.989 6.3 159.8-152.1 149.6 -8.8 1.7 -35.4 106 117 A M E -d 66 0A 15 -41,-1.2 -39,-2.8 -2,-0.3 2,-0.4 -0.985 33.1-119.0-156.0 164.9 -8.4 -1.6 -37.1 107 118 A R E -dE 67 540A 0 433,-2.0 433,-2.7 -2,-0.3 2,-0.3 -0.928 26.2-163.3-103.8 142.3 -5.9 -4.1 -38.4 108 119 A V E -dE 68 539A 0 -41,-2.4 -39,-1.5 -2,-0.4 2,-0.3 -0.898 5.9-163.0-120.1 153.9 -5.8 -4.9 -42.1 109 120 A E E + E 0 538A 0 429,-3.2 429,-2.2 -2,-0.3 404,-0.2 -0.996 33.4 143.4-144.8 133.1 -4.1 -8.0 -43.7 110 121 A G > - 0 0 1 1,-0.6 3,-2.6 -2,-0.3 6,-0.1 -0.334 67.0-100.3-156.8 65.5 -2.8 -9.2 -47.1 111 122 A A G > S- 0 0 1 1,-0.3 3,-2.0 2,-0.2 -1,-0.6 -0.180 99.0 -7.2 53.6-138.3 0.2 -11.2 -46.3 112 123 A A G 3 S+ 0 0 11 1,-0.3 271,-0.3 2,-0.1 -1,-0.3 0.531 133.3 66.3 -68.1 -1.8 3.4 -9.2 -46.9 113 124 A A G <> + 0 0 0 -3,-2.6 4,-2.6 1,-0.2 -1,-0.3 0.365 68.3 106.5 -95.9 4.5 1.3 -6.4 -48.5 114 125 A S H <> S+ 0 0 0 -3,-2.0 4,-2.0 1,-0.3 -1,-0.2 0.865 77.7 48.9 -53.6 -42.9 -0.4 -5.6 -45.1 115 126 A G H > S+ 0 0 0 264,-0.4 4,-2.3 -3,-0.3 -1,-0.3 0.891 111.1 50.7 -62.8 -44.0 1.5 -2.4 -44.6 116 127 A G H > S+ 0 0 3 -3,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.926 110.5 49.2 -61.7 -43.1 0.6 -1.2 -48.1 117 128 A L H X S+ 0 0 4 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.828 105.4 57.7 -64.2 -33.9 -3.0 -2.0 -47.4 118 129 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.960 107.1 48.9 -62.1 -44.9 -2.8 -0.1 -44.2 119 130 A V H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.927 110.4 50.0 -59.7 -46.2 -1.7 3.0 -46.2 120 131 A I H X S+ 0 0 23 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.883 111.2 49.5 -61.4 -41.0 -4.6 2.6 -48.7 121 132 A S H X S+ 0 0 9 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.941 112.3 47.6 -58.5 -48.0 -7.1 2.3 -45.9 122 133 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.923 110.9 51.7 -61.5 -41.5 -5.7 5.4 -44.2 123 134 A M H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.905 108.0 51.5 -66.9 -38.8 -5.8 7.3 -47.6 124 135 A N H X S+ 0 0 5 -4,-2.3 4,-1.1 2,-0.2 6,-0.3 0.930 108.5 51.3 -59.2 -46.6 -9.4 6.3 -48.1 125 136 A A H ><>S+ 0 0 0 -4,-2.3 6,-1.5 1,-0.2 5,-1.1 0.940 110.4 50.0 -54.4 -49.0 -10.3 7.6 -44.7 126 137 A L H ><5S+ 0 0 1 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.877 115.8 41.4 -56.9 -41.8 -8.5 10.9 -45.6 127 138 A K H 3<5S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.514 106.9 63.4 -86.1 -5.9 -10.4 11.3 -48.9 128 139 A S T <<5S- 0 0 19 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.511 107.7-116.3 -93.9 -8.2 -13.7 10.2 -47.5 129 140 A G T < 5S+ 0 0 63 -3,-0.6 -3,-0.1 -4,-0.5 -4,-0.1 0.487 93.6 104.9 80.1 4.7 -14.1 13.1 -45.1 130 141 A S S + 0 0 8 -2,-0.5 3,-0.9 109,-0.3 110,-0.1 0.444 52.1 85.1-118.8 -10.5 8.7 -13.5 -36.3 143 154 A T T 3 + 0 0 33 1,-0.2 109,-0.1 -128,-0.1 -1,-0.1 0.474 66.6 87.4 -80.9 -1.1 11.8 -14.5 -34.2 144 155 A T T 3 S+ 0 0 91 2,-0.1 2,-0.3 6,-0.0 -1,-0.2 0.437 92.0 41.8 -77.1 0.1 9.6 -16.3 -31.6 145 156 A A S < S- 0 0 34 -3,-0.9 -70,-0.0 1,-0.0 -3,-0.0 -0.947 91.9 -87.6-139.0 168.2 9.7 -19.6 -33.6 146 157 A S > - 0 0 68 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.179 42.3-106.6 -63.3 162.4 12.0 -21.8 -35.7 147 158 A A H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.857 121.6 51.2 -54.7 -36.4 12.5 -21.3 -39.4 148 159 A R H > S+ 0 0 130 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.927 113.4 39.5 -73.9 -48.2 10.4 -24.4 -40.0 149 160 A V H > S+ 0 0 60 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.916 116.9 53.2 -65.7 -41.2 7.4 -23.5 -37.8 150 161 A G H X S+ 0 0 7 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.885 105.1 54.5 -58.3 -39.8 7.8 -20.0 -39.2 151 162 A G H X S+ 0 0 7 -4,-2.0 4,-0.9 1,-0.2 19,-0.3 0.834 107.9 49.0 -64.9 -34.8 7.7 -21.3 -42.7 152 163 A D H < S+ 0 0 32 -4,-1.4 4,-0.3 -3,-0.3 -1,-0.2 0.878 111.4 49.6 -72.0 -38.3 4.4 -23.1 -42.0 153 164 A Y H >< S+ 0 0 52 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.931 109.5 50.5 -64.2 -47.5 2.9 -19.9 -40.5 154 165 A L H >< S+ 0 0 46 -4,-3.0 3,-2.3 1,-0.3 -1,-0.2 0.781 93.7 76.3 -60.0 -26.7 4.0 -17.9 -43.5 155 166 A A G >< S+ 0 0 0 -4,-0.9 3,-2.3 1,-0.3 -1,-0.3 0.711 73.3 82.3 -57.5 -20.8 2.4 -20.6 -45.7 156 167 A R G < S+ 0 0 16 -3,-1.8 354,-1.8 -4,-0.3 -1,-0.3 0.666 82.1 62.6 -53.7 -22.2 -0.9 -18.9 -44.6 157 168 A A G < S+ 0 0 5 -3,-2.3 261,-0.3 352,-0.1 -1,-0.3 0.565 100.3 64.5 -80.6 -16.6 -0.1 -16.5 -47.5 158 169 A A S < S- 0 0 3 -3,-2.3 2,-1.4 -4,-0.2 352,-0.2 -0.392 111.1 -83.7 -91.0 176.9 -0.4 -19.3 -50.0 159 170 A D > - 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