==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-AUG-08 3E60 . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN ] SYNTHASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: BARTONELLA HENSELAE; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 840 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 584 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 12.4 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 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 . 53 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.1 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 4 2 2 0 0 4 2 0 2 1 5 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 2 4 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 PARALLEL BRIDGES PER LADDER . 3 2 4 0 0 0 0 8 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 2 0 0 0 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 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 1 A M 0 0 137 0, 0.0 185,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 131.4 43.9 -27.1 -2.6 2 2 A R - 0 0 81 183,-2.2 2,-0.2 182,-0.2 185,-0.1 -0.458 360.0-103.7 -80.0 153.7 45.2 -26.6 0.9 3 3 A R - 0 0 83 -2,-0.1 248,-2.2 181,-0.1 2,-0.4 -0.531 32.3-150.9 -81.1 146.1 42.9 -25.3 3.6 4 4 A V E -AB 250 265A 8 261,-0.6 261,-2.3 246,-0.2 2,-0.3 -0.972 13.9-177.7-127.4 126.4 43.2 -21.7 4.8 5 5 A V E -AB 249 264A 0 244,-2.8 244,-2.3 -2,-0.4 2,-0.5 -0.769 27.1-118.3-121.1 164.3 42.4 -20.3 8.2 6 6 A I E +AB 248 263A 3 257,-2.9 256,-3.1 -2,-0.3 257,-0.8 -0.902 33.6 163.0-106.0 122.5 42.4 -16.9 9.9 7 7 A T E + 0 0 0 240,-2.4 2,-0.3 -2,-0.5 253,-0.2 0.370 59.7 35.2-123.0 0.3 44.8 -16.6 12.9 8 8 A G E -A 247 0A 0 239,-0.8 239,-2.3 86,-0.1 2,-0.4 -0.974 56.5-159.6-160.2 146.3 45.1 -12.8 13.4 9 9 A L E +A 246 0A 4 -2,-0.3 2,-0.3 80,-0.2 237,-0.2 -0.971 8.6 176.8-130.9 138.6 43.1 -9.7 13.2 10 10 A G E +A 245 0A 0 235,-2.3 235,-2.5 -2,-0.4 2,-0.3 -0.997 8.1 169.6-141.5 139.4 44.0 -6.0 12.8 11 11 A L E -A 244 0A 0 -2,-0.3 2,-0.5 233,-0.2 233,-0.2 -0.962 22.8-175.5-156.2 128.1 41.8 -3.0 12.5 12 12 A V E +A 243 0A 0 231,-2.9 231,-1.9 -2,-0.3 5,-0.2 -0.986 37.2 159.2-119.6 115.6 41.9 0.7 12.5 13 13 A S - 0 0 0 3,-2.8 3,-0.4 -2,-0.5 229,-0.1 -0.771 58.4 -95.2-135.4 169.9 38.4 2.0 12.2 14 14 A P S S+ 0 0 7 0, 0.0 37,-0.2 0, 0.0 3,-0.1 0.607 123.8 50.2 -67.1 -8.4 36.1 5.0 12.8 15 15 A L S S- 0 0 9 1,-0.3 2,-0.3 35,-0.1 37,-0.0 0.744 126.0 -19.7 -96.1 -28.0 35.1 3.3 16.1 16 16 A A - 0 0 0 -3,-0.4 -3,-2.8 45,-0.0 -1,-0.3 -0.975 55.2-109.5-173.8 160.2 38.6 2.6 17.5 17 17 A G S S+ 0 0 8 43,-2.5 2,-0.3 -2,-0.3 -6,-0.1 0.330 98.7 41.6 -83.9 9.3 42.2 2.2 16.7 18 18 A D S > S- 0 0 41 42,-0.3 4,-1.2 1,-0.1 -5,-0.1 -0.932 84.9-105.7-149.5 171.4 42.1 -1.5 17.4 19 19 A V H > S+ 0 0 11 -2,-0.3 4,-2.1 -10,-0.2 5,-0.2 0.949 108.7 45.0 -66.3 -55.6 40.0 -4.6 16.8 20 20 A E H > S+ 0 0 77 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.861 115.2 46.0 -66.8 -39.0 38.5 -5.4 20.2 21 21 A Y H > S+ 0 0 109 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.807 111.2 54.4 -71.5 -29.0 37.4 -1.8 21.0 22 22 A S H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.940 112.8 43.0 -66.4 -47.3 36.0 -1.4 17.5 23 23 A W H X S+ 0 0 6 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.897 111.9 53.1 -64.3 -45.0 33.9 -4.6 18.1 24 24 A K H X S+ 0 0 102 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.958 114.3 42.0 -56.0 -51.9 32.8 -3.6 21.6 25 25 A R H <>S+ 0 0 55 -4,-1.8 5,-1.9 1,-0.2 4,-0.4 0.862 110.3 56.9 -67.3 -37.4 31.6 -0.3 20.4 26 26 A L H ><5S+ 0 0 7 -4,-2.3 3,-1.4 1,-0.2 345,-0.2 0.942 109.8 45.5 -56.1 -49.7 30.0 -1.7 17.3 27 27 A L H 3<5S+ 0 0 40 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.716 105.3 61.6 -70.6 -22.1 27.9 -4.1 19.4 28 28 A E T 3<5S- 0 0 96 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.496 118.8-110.6 -81.9 -4.3 27.0 -1.2 21.8 29 29 A G T < 5 + 0 0 32 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.624 63.6 156.2 86.8 15.0 25.3 0.6 19.0 30 30 A K < - 0 0 104 -5,-1.9 2,-0.4 1,-0.0 -1,-0.2 -0.356 31.7-141.9 -73.8 152.4 27.9 3.4 18.7 31 31 A S - 0 0 19 2,-0.1 314,-0.2 -2,-0.1 313,-0.1 -0.911 12.3-158.6-116.2 143.6 28.5 5.4 15.5 32 32 A G + 0 0 8 312,-2.7 19,-1.4 -2,-0.4 2,-0.4 0.386 61.2 112.9 -94.6 1.5 31.8 6.6 14.1 33 33 A V E +K 50 0B 4 311,-0.4 2,-0.3 17,-0.2 17,-0.3 -0.622 36.9 141.7 -87.6 131.0 30.1 9.3 12.0 34 34 A R E -K 49 0B 81 15,-2.8 15,-2.6 -2,-0.4 2,-0.2 -0.956 53.3 -72.1-153.9 170.6 30.5 13.0 12.8 35 35 A R E -K 48 0B 85 -2,-0.3 2,-0.4 13,-0.2 13,-0.3 -0.468 54.7-112.1 -66.6 136.4 31.0 16.5 11.4 36 36 A I + 0 0 7 11,-2.5 5,-0.2 -2,-0.2 -1,-0.1 -0.600 44.5 162.3 -74.6 128.4 34.4 17.0 9.9 37 37 A T + 0 0 109 -2,-0.4 -1,-0.1 3,-0.1 3,-0.1 0.399 55.8 82.9-122.8 -5.8 36.4 19.5 11.8 38 38 A E S S+ 0 0 93 1,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.746 105.4 1.7 -77.4 -24.6 39.9 18.8 10.5 39 39 A F S S- 0 0 59 163,-0.0 2,-0.3 164,-0.0 -1,-0.1 -0.933 95.4 -64.1-154.0 175.1 39.5 21.0 7.5 40 40 A D + 0 0 89 -2,-0.3 -3,-0.1 1,-0.1 -2,-0.0 -0.498 48.4 152.8 -74.3 124.5 37.1 23.3 5.7 41 41 A V > + 0 0 6 -2,-0.3 3,-2.0 -5,-0.2 -1,-0.1 0.158 39.2 111.7-129.7 12.9 33.9 21.7 4.5 42 42 A S T 3 S+ 0 0 88 1,-0.3 5,-0.1 5,-0.0 -2,-0.1 0.709 82.1 47.6 -63.2 -19.8 31.7 24.8 4.6 43 43 A D T 3 S+ 0 0 47 3,-0.1 2,-0.3 4,-0.0 -1,-0.3 0.280 96.6 90.3-106.9 8.9 31.5 24.8 0.9 44 44 A L S < S- 0 0 9 -3,-2.0 -3,-0.1 1,-0.1 163,-0.1 -0.781 70.7-139.5-106.4 148.7 30.7 21.1 0.5 45 45 A S S S+ 0 0 63 -2,-0.3 2,-0.5 1,-0.2 175,-0.1 0.799 97.9 55.5 -77.7 -25.4 27.2 19.5 0.4 46 46 A C + 0 0 0 160,-0.1 -1,-0.2 1,-0.1 171,-0.1 -0.942 58.4 165.4-108.0 122.0 28.6 16.6 2.5 47 47 A Q + 0 0 33 -2,-0.5 -11,-2.5 -5,-0.1 2,-0.3 0.109 51.4 78.1-121.8 16.7 30.1 17.8 5.8 48 48 A I E +K 35 0B 0 -13,-0.3 191,-0.4 168,-0.2 2,-0.3 -0.895 46.3 165.2-130.8 156.1 30.3 14.5 7.7 49 49 A A E -K 34 0B 0 -15,-2.6 -15,-2.8 -2,-0.3 2,-0.9 -0.979 42.6-103.2-161.0 162.8 32.5 11.4 7.7 50 50 A A E -Kl 33 240B 0 189,-2.7 191,-0.7 -2,-0.3 2,-0.4 -0.863 51.0-171.2 -94.6 105.1 33.3 8.3 9.8 51 51 A R - 0 0 32 -19,-1.4 -38,-0.1 -2,-0.9 189,-0.0 -0.811 27.5-113.9-110.4 139.9 36.6 9.2 11.3 52 52 A I - 0 0 4 -2,-0.4 2,-0.7 1,-0.1 -37,-0.1 -0.434 39.6-115.2 -62.2 130.3 39.2 7.3 13.3 53 53 A P - 0 0 38 0, 0.0 9,-2.2 0, 0.0 2,-0.2 -0.626 35.1-149.7 -74.8 114.8 39.4 8.6 16.9 54 54 A V B +m 62 0C 114 -2,-0.7 2,-0.3 7,-0.2 9,-0.2 -0.514 37.9 101.2 -88.6 143.9 42.8 10.1 17.3 55 55 A G S S- 0 0 29 7,-2.1 9,-0.1 -2,-0.2 4,-0.1 -0.959 79.3 -45.1 177.2-152.7 44.8 10.2 20.5 56 56 A D S S- 0 0 106 -2,-0.3 7,-0.2 2,-0.1 3,-0.1 0.503 82.8 -98.6 -86.9 -1.7 47.6 8.8 22.7 57 57 A G S S+ 0 0 35 1,-0.4 3,-0.5 5,-0.1 2,-0.2 0.311 88.0 114.8 99.3 -8.0 46.6 5.2 22.1 58 58 A T > + 0 0 73 1,-0.2 3,-1.4 2,-0.1 -1,-0.4 -0.550 69.2 23.4 -87.9 164.2 44.6 4.7 25.3 59 59 A N T 3 S- 0 0 136 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.0 0.830 136.8 -55.4 49.4 36.3 40.9 4.1 25.6 60 60 A G T 3 S+ 0 0 4 -3,-0.5 -43,-2.5 1,-0.2 -42,-0.3 0.623 99.8 139.8 80.7 14.9 40.8 2.8 22.0 61 61 A T < - 0 0 35 -3,-1.4 2,-0.5 -45,-0.2 -7,-0.2 -0.410 50.5-117.5 -86.1 169.1 42.3 5.8 20.3 62 62 A Y B -m 54 0C 14 -9,-2.2 -7,-2.1 -2,-0.1 2,-0.6 -0.917 21.3-172.5-113.9 123.1 44.8 5.7 17.4 63 63 A N > - 0 0 37 -2,-0.5 3,-2.1 -9,-0.2 4,-0.3 -0.869 6.0-167.3-116.4 99.5 48.3 7.1 17.7 64 64 A A G >> S+ 0 0 18 -2,-0.6 3,-1.9 1,-0.3 4,-1.7 0.796 82.7 68.8 -50.4 -34.6 50.0 7.1 14.3 65 65 A D G 34 S+ 0 0 85 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.702 90.6 61.6 -64.8 -19.1 53.4 7.8 15.9 66 66 A L G <4 S+ 0 0 115 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.610 112.0 36.8 -82.4 -12.7 53.5 4.3 17.5 67 67 A H T <4 S+ 0 0 42 -3,-1.9 2,-0.3 1,-0.4 -2,-0.2 0.653 129.9 14.9-112.8 -25.2 53.4 2.7 14.1 68 68 A M S < S- 0 0 18 -4,-1.7 -1,-0.4 16,-0.0 5,-0.1 -0.954 83.6-104.7-154.8 131.2 55.6 5.0 12.1 69 69 A E >> - 0 0 123 -2,-0.3 4,-2.2 -3,-0.1 3,-0.6 -0.206 34.5-116.4 -51.2 143.0 58.0 7.8 13.0 70 70 A S H 3> S+ 0 0 58 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.882 115.3 51.8 -47.7 -48.0 56.7 11.3 12.5 71 71 A K H 34 S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.820 110.5 49.2 -67.1 -31.1 59.3 12.1 9.9 72 72 A E H X4 S+ 0 0 47 -3,-0.6 3,-1.6 1,-0.2 -1,-0.2 0.851 103.1 60.1 -74.7 -37.3 58.4 8.9 8.0 73 73 A Q H >< S+ 0 0 46 -4,-2.2 3,-1.4 1,-0.3 -2,-0.2 0.815 96.0 63.3 -56.5 -34.5 54.7 9.7 8.0 74 74 A R T 3< S+ 0 0 193 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.605 97.3 57.8 -69.3 -12.6 55.5 12.9 6.2 75 75 A K T < S+ 0 0 48 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.2 0.406 107.3 49.8 -93.0 -3.0 56.8 10.9 3.2 76 76 A V S < S- 0 0 13 -3,-1.4 68,-0.1 -4,-0.2 2,-0.1 -0.954 81.9-107.2-137.3 155.9 53.5 8.9 2.7 77 77 A D >> - 0 0 17 66,-1.9 3,-1.6 -2,-0.3 4,-0.8 -0.478 45.2-106.1 -76.5 154.8 49.8 9.3 2.3 78 78 A A H 3> S+ 0 0 41 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.761 112.4 71.8 -59.2 -27.6 47.8 8.2 5.3 79 79 A F H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.860 97.7 51.9 -60.0 -31.1 46.5 4.9 3.7 80 80 A I H <> S+ 0 0 0 -3,-1.6 4,-2.1 63,-0.2 -1,-0.2 0.930 109.3 48.6 -70.4 -44.7 50.0 3.5 4.0 81 81 A V H X S+ 0 0 6 -4,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.919 108.8 52.2 -58.8 -48.4 50.2 4.4 7.7 82 82 A Y H X S+ 0 0 19 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.901 109.6 50.9 -54.6 -41.9 46.8 2.9 8.5 83 83 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.882 109.0 50.4 -65.5 -41.5 48.0 -0.4 6.8 84 84 A I H X S+ 0 0 6 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.951 111.5 48.9 -62.1 -46.5 51.1 -0.5 8.8 85 85 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.900 112.2 46.9 -60.3 -44.4 49.1 -0.0 12.0 86 86 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.879 112.6 50.8 -69.0 -35.5 46.6 -2.8 11.2 87 87 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.925 104.2 56.8 -66.9 -44.2 49.4 -5.1 10.2 88 88 A D H X S+ 0 0 21 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.904 111.9 44.9 -49.4 -46.4 51.3 -4.4 13.5 89 89 A Q H X S+ 0 0 34 -4,-1.7 4,-2.3 2,-0.2 -80,-0.2 0.924 112.0 50.1 -64.3 -50.4 48.1 -5.6 15.2 90 90 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.910 110.9 47.0 -57.8 -49.3 47.5 -8.6 13.0 91 91 A L H X>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 4,-0.7 0.892 113.7 49.1 -62.1 -43.2 51.0 -10.1 13.3 92 92 A A H ><5S+ 0 0 53 -4,-1.5 3,-0.5 -5,-0.3 -1,-0.2 0.908 110.6 51.0 -62.7 -42.0 50.9 -9.6 17.1 93 93 A D H 3<5S+ 0 0 41 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.837 115.6 41.4 -64.9 -34.9 47.5 -11.3 17.3 94 94 A A H 3<5S- 0 0 5 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.515 104.9-131.8 -87.8 -9.6 48.8 -14.2 15.3 95 95 A E T <<5 + 0 0 152 -4,-0.7 2,-0.5 -3,-0.5 -3,-0.2 0.943 58.7 143.4 50.9 51.5 52.1 -14.2 17.2 96 96 A W < + 0 0 21 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.907 12.7 150.7-126.0 101.7 53.9 -14.4 13.8 97 97 A F - 0 0 92 -2,-0.5 7,-0.1 -3,-0.1 6,-0.1 -0.760 35.6-148.9-128.9 85.2 57.1 -12.5 13.4 98 98 A P + 0 0 5 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 -0.304 30.3 160.0 -66.0 134.8 59.2 -14.4 10.9 99 99 A K + 0 0 169 -2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.674 49.7 76.9-117.7 -44.8 62.9 -14.3 11.4 100 100 A S S > S- 0 0 53 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.270 85.7-114.8 -70.9 157.4 64.4 -17.3 9.5 101 101 A D H > S+ 0 0 103 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.934 117.2 52.5 -54.0 -50.5 64.7 -17.3 5.8 102 102 A E H > S+ 0 0 154 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.930 113.0 43.3 -52.5 -50.8 62.2 -20.2 5.6 103 103 A D H 4 S+ 0 0 45 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.873 115.9 46.8 -66.8 -37.6 59.6 -18.3 7.6 104 104 A Q H >< S+ 0 0 37 -4,-2.6 56,-2.1 1,-0.2 3,-1.2 0.915 110.3 53.0 -72.1 -40.0 60.1 -14.9 5.8 105 105 A I H 3< S+ 0 0 56 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.795 109.3 48.5 -67.6 -29.3 60.1 -16.4 2.4 106 106 A C T 3< S+ 0 0 20 -4,-1.3 84,-2.4 -5,-0.2 85,-2.2 0.356 96.8 83.4 -96.1 7.2 56.7 -18.2 3.0 107 107 A T E < +c 191 0A 0 -3,-1.2 54,-2.8 -4,-0.2 85,-0.2 -0.954 59.2 173.8-113.5 117.8 55.0 -15.1 4.4 108 108 A G E -c 192 0A 0 83,-2.5 85,-2.2 -2,-0.5 2,-0.4 -0.461 22.3-132.3-113.7-176.9 53.5 -12.6 1.9 109 109 A V E +cd 193 163A 1 53,-2.3 55,-2.3 83,-0.2 2,-0.4 -0.989 17.3 176.0-144.7 129.7 51.5 -9.5 1.8 110 110 A L E +cd 194 164A 0 83,-2.9 85,-2.0 -2,-0.4 2,-0.4 -0.846 16.9 159.3-137.1 96.3 48.4 -8.5 -0.2 111 111 A I E -c 195 0A 0 53,-1.0 39,-0.4 -2,-0.4 85,-0.2 -0.979 15.3-169.6-122.7 129.6 46.9 -5.1 0.7 112 112 A G E -c 196 0A 1 83,-2.4 85,-2.1 -2,-0.4 2,-0.3 -0.654 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171.7 58.3 24.0 -9.9 133 133 A P G > S+ 0 0 20 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.712 121.1 68.3 -66.8 -23.9 59.7 20.5 -10.5 134 134 A R G 3 S+ 0 0 228 1,-0.3 -2,-0.1 -3,-0.2 -6,-0.1 0.592 97.7 55.7 -74.9 -8.1 62.8 21.0 -8.3 135 135 A R G < S+ 0 0 152 -3,-1.6 2,-0.3 -8,-0.1 -1,-0.3 0.410 78.8 113.4-103.2 0.9 60.6 21.1 -5.3 136 136 A I S < S- 0 0 10 -3,-1.4 -12,-0.0 -4,-0.2 489,-0.0 -0.555 74.0-111.8 -73.7 132.9 58.9 17.8 -5.9 137 137 A S > - 0 0 52 -2,-0.3 3,-1.9 1,-0.1 4,-0.4 -0.372 6.7-131.8 -67.6 141.1 59.9 15.2 -3.2 138 138 A P T 3 S+ 0 0 68 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.713 112.5 55.0 -57.3 -18.4 62.0 12.2 -4.0 139 139 A F T 3> S+ 0 0 63 1,-0.2 4,-2.2 2,-0.1 5,-0.1 0.403 76.6 100.4 -97.8 2.7 59.3 10.4 -2.0 140 140 A F T <4 S+ 0 0 6 -3,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.942 85.2 42.1 -52.9 -56.8 56.4 11.6 -4.1 141 141 A I T >> S+ 0 0 7 -4,-0.4 3,-1.6 488,-0.3 4,-1.3 0.960 117.1 42.0 -62.3 -58.1 56.0 8.5 -6.2 142 142 A P T 34 S+ 0 0 2 0, 0.0 3,-0.5 0, 0.0 6,-0.2 0.916 111.3 56.0 -61.4 -39.7 56.5 5.7 -3.6 143 143 A G T 3< S+ 0 0 0 -4,-2.2 -66,-1.9 -68,-0.2 -63,-0.2 0.503 114.7 40.9 -65.1 -5.6 54.4 7.5 -1.0 144 144 A R T <4 S+ 0 0 35 -3,-1.6 -27,-1.0 -4,-0.4 -1,-0.2 0.547 85.0 103.4-118.7 -18.7 51.5 7.6 -3.5 145 145 A L >< - 0 0 11 -4,-1.3 3,-1.5 -3,-0.5 4,-0.2 -0.518 68.5-134.7 -74.3 135.8 51.5 4.2 -5.2 146 146 A I T > S+ 0 0 13 389,-0.4 3,-1.4 1,-0.3 4,-0.4 0.885 102.5 57.3 -57.4 -41.0 48.8 1.8 -4.0 147 147 A N T 3> S+ 0 0 0 1,-0.3 4,-1.9 388,-0.2 -1,-0.3 0.555 84.3 82.4 -70.9 -8.6 51.1 -1.1 -3.8 148 148 A L H <> S+ 0 0 0 -3,-1.5 4,-2.5 2,-0.2 -1,-0.3 0.560 79.9 65.8 -72.0 -9.2 53.5 0.7 -1.5 149 149 A A H <> S+ 0 0 2 -3,-1.4 4,-2.1 2,-0.2 5,-0.2 0.941 107.6 40.3 -71.0 -49.0 51.2 -0.3 1.4 150 150 A S H > S+ 0 0 0 -39,-0.4 4,-2.6 -4,-0.4 -2,-0.2 0.913 117.6 52.0 -59.9 -41.4 52.2 -3.9 0.7 151 151 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.939 110.0 44.9 -63.9 -49.5 55.7 -2.7 0.1 152 152 A Y H X S+ 0 0 23 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.911 115.8 47.7 -61.5 -42.7 56.1 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163 A N E +d 109 0A 2 529,-0.6 2,-0.3 668,-0.3 529,-0.2 -0.955 31.0 143.7-114.5 113.3 54.0 -9.2 -2.6 164 164 A H E -d 110 0A 3 -55,-2.3 -53,-1.0 -2,-0.6 2,-0.3 -0.906 30.1-158.0-151.0 163.7 50.9 -8.1 -4.4 165 165 A S - 0 0 0 -2,-0.3 423,-1.7 -55,-0.2 2,-0.3 -0.995 2.3-158.4-154.8 148.1 48.1 -5.6 -4.5 166 166 A V B -N 587 0D 0 -2,-0.3 -53,-1.3 421,-0.2 2,-0.3 -0.839 3.2-163.7-127.2 159.9 44.6 -5.1 -5.8 167 167 A V + 0 0 0 419,-2.0 -53,-0.1 -2,-0.3 3,-0.1 -0.860 31.4 137.5-146.1 106.0 42.3 -2.2 -6.6 168 168 A T > - 0 0 0 1,-0.4 3,-2.2 -2,-0.3 4,-0.1 -0.132 54.8-125.3-145.6 41.0 38.6 -2.7 -7.1 169 169 A A G > S+ 0 0 4 1,-0.3 3,-2.1 -56,-0.2 -1,-0.4 -0.199 89.8 5.3 50.7-127.3 36.9 0.2 -5.3 170 170 A C G 3 S+ 0 0 3 1,-0.3 183,-0.3 2,-0.1 -1,-0.3 0.631 135.8 50.0 -64.3 -16.3 34.4 -1.1 -2.7 171 171 A S G <> S+ 0 0 0 -3,-2.2 4,-2.5 1,-0.1 3,-0.3 0.352 79.0 105.7-105.1 9.7 35.3 -4.7 -3.2 172 172 A T H <> S+ 0 0 0 -3,-2.1 4,-2.3 1,-0.2 -1,-0.1 0.911 78.8 46.9 -54.1 -51.4 39.0 -4.2 -2.8 173 173 A G H > S+ 0 0 0 176,-0.4 4,-1.7 -4,-0.3 -1,-0.2 0.807 113.0 50.0 -67.2 -30.0 39.3 -5.7 0.7 174 174 A A H > S+ 0 0 2 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.901 110.4 48.0 -74.8 -47.4 37.3 -8.7 -0.2 175 175 A H H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.877 109.5 56.3 -56.9 -41.1 39.3 -9.5 -3.4 176 176 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.934 110.9 42.1 -58.3 -49.0 42.5 -9.0 -1.3 177 177 A I H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.934 116.7 47.5 -66.6 -45.2 41.4 -11.7 1.2 178 178 A G H X S+ 0 0 1 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.907 114.3 46.6 -62.8 -44.2 40.1 -14.1 -1.5 179 179 A D H X S+ 0 0 21 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.893 112.3 50.1 -65.1 -41.5 43.2 -13.7 -3.6 180 180 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.907 108.0 53.6 -66.9 -39.3 45.6 -14.1 -0.7 181 181 A A H X S+ 0 0 10 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.870 107.6 51.5 -61.7 -35.7 43.7 -17.3 0.4 182 182 A R H X S+ 0 0 32 -4,-1.5 4,-2.3 2,-0.2 6,-0.2 0.885 103.8 56.8 -71.6 -36.9 44.2 -18.7 -3.1 183 183 A L H <>S+ 0 0 8 -4,-1.9 5,-2.6 2,-0.2 6,-0.7 0.897 112.6 42.4 -57.9 -40.9 47.9 -18.0 -3.0 184 184 A I H ><5S+ 0 0 0 -4,-1.7 3,-1.1 4,-0.2 -2,-0.2 0.931 112.9 51.6 -70.9 -45.2 48.1 -20.1 0.2 185 185 A A H 3<5S+ 0 0 13 -4,-2.6 -183,-2.2 1,-0.3 -2,-0.2 0.846 111.8 48.2 -61.1 -33.1 45.8 -22.8 -1.1 186 186 A L T 3<5S- 0 0 20 -4,-2.3 -1,-0.3 -185,-0.2 -2,-0.2 0.536 119.3-110.2 -86.8 -11.6 47.9 -23.2 -4.3 187 187 A G T < 5S+ 0 0 40 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.631 83.2 121.0 93.1 13.3 51.1 -23.3 -2.3 188 188 A D S S- 0 0 2 -2,-1.8 4,-2.4 1,-0.1 5,-0.2 -0.948 82.8 -98.7-153.1 167.7 39.9 15.0 2.2 203 203 A R H > S+ 0 0 58 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.881 117.5 51.3 -64.1 -41.8 38.5 17.8 0.1 204 204 A I H > S+ 0 0 6 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 114.3 43.4 -62.8 -43.4 39.3 16.4 -3.3 205 205 A S H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.890 114.1 49.9 -69.7 -41.3 37.6 13.1 -2.6 206 206 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.898 112.7 46.8 -65.5 -41.0 34.6 14.6 -0.9 207 207 A A 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