==== 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 TRANSFERASE 05-JUL-06 2IWY . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.E.CHRISTENSEN,B.B.KRAGELUND,P.VON WETTSTEIN-KNOWLES, A.HEN . 843 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 585 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 13.2 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 . 3 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 . 48 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 238 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.0 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 3 4 2 0 0 3 3 0 0 0 4 6 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 2 4 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 PARALLEL BRIDGES PER LADDER . 1 4 4 1 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 . 3 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 -4 A I 0 0 83 0, 0.0 675,-0.3 0, 0.0 429,-0.3 0.000 360.0 360.0 360.0 -27.6 -10.7 22.6 14.8 2 -3 A E - 0 0 104 1,-0.3 2,-0.2 673,-0.1 428,-0.1 0.586 360.0-100.7 -86.6 -12.3 -7.9 22.6 12.2 3 -2 A G - 0 0 15 426,-0.2 2,-0.3 424,-0.1 -1,-0.3 -0.589 28.3 -85.6 123.3 177.8 -7.6 26.4 12.7 4 -1 A R E -A 428 0A 189 424,-1.8 424,-2.8 -2,-0.2 2,-0.3 -0.915 37.6-114.1-122.4 146.6 -8.5 29.8 11.2 5 38 A S E -A 427 0A 82 -2,-0.3 2,-0.3 422,-0.2 422,-0.2 -0.652 36.7-176.6 -81.7 140.1 -6.7 31.8 8.6 6 39 A R E -A 426 0A 85 420,-2.6 420,-3.1 -2,-0.3 2,-0.1 -0.977 34.9 -88.6-134.4 150.1 -5.1 35.1 9.8 7 40 A L E -A 425 0A 114 -2,-0.3 2,-0.5 418,-0.3 418,-0.3 -0.333 36.2-163.0 -54.1 128.9 -3.2 38.0 8.1 8 41 A H - 0 0 44 416,-3.3 184,-0.2 -2,-0.1 2,-0.1 -0.977 16.0-148.2-121.0 112.7 0.5 37.3 8.0 9 42 A R - 0 0 47 182,-2.3 2,-0.2 -2,-0.5 184,-0.1 -0.420 11.8-111.2 -89.6 156.1 2.4 40.6 7.3 10 43 A R - 0 0 111 -2,-0.1 245,-2.5 180,-0.1 2,-0.4 -0.566 30.3-154.2 -83.8 148.8 5.7 41.3 5.6 11 44 A V E -BC 254 269B 0 258,-0.6 258,-2.1 243,-0.3 2,-0.3 -0.984 11.9-177.1-132.2 132.2 8.7 42.5 7.6 12 45 A V E -BC 253 268B 0 241,-3.2 241,-2.8 -2,-0.4 2,-0.5 -0.784 26.0-119.7-124.5 167.1 11.7 44.5 6.5 13 46 A I E +BC 252 267B 0 254,-2.5 253,-2.7 -2,-0.3 254,-0.8 -0.949 32.0 164.1-110.3 124.1 14.9 45.9 8.1 14 47 A T E + 0 0 0 237,-2.4 2,-0.3 -2,-0.5 250,-0.2 0.435 59.9 33.5-120.4 -3.7 15.3 49.7 8.1 15 48 A G E -B 251 0B 0 236,-0.9 236,-2.8 85,-0.1 2,-0.4 -0.987 51.9-168.6-156.5 144.6 18.1 50.3 10.6 16 49 A I E -B 250 0B 0 -2,-0.3 2,-0.4 79,-0.3 10,-0.4 -0.997 2.1-174.2-135.9 131.2 21.4 48.8 11.9 17 50 A G E -B 249 0B 0 232,-2.9 232,-2.6 -2,-0.4 2,-0.4 -0.995 11.5-170.6-125.0 127.8 23.5 49.8 15.0 18 51 A L E +B 248 0B 0 -2,-0.4 7,-2.0 230,-0.2 2,-0.5 -0.978 21.7 176.7-129.9 127.3 26.8 48.0 15.6 19 52 A V E +BD 247 24B 0 228,-2.9 228,-2.2 -2,-0.4 5,-0.2 -0.921 40.3 142.8-123.5 98.4 29.2 48.1 18.6 20 53 A T E > - D 0 23B 0 3,-2.4 3,-2.0 -2,-0.5 226,-0.1 -0.829 68.8 -98.3-138.5 165.8 32.0 45.6 17.6 21 54 A P T 3 S+ 0 0 9 0, 0.0 37,-0.2 0, 0.0 3,-0.1 0.673 124.0 57.9 -60.9 -18.4 35.7 44.8 17.6 22 55 A L T 3 S- 0 0 4 1,-0.4 2,-0.2 35,-0.1 10,-0.1 0.518 124.7 -97.7 -82.4 -9.6 35.8 46.2 14.1 23 56 A G E < -D 20 0B 0 -3,-2.0 -3,-2.4 9,-0.0 2,-0.4 -0.759 42.7 -59.9 124.0-169.0 34.5 49.5 15.6 24 57 A V E S+D 19 0B 15 42,-1.2 -5,-0.2 -2,-0.2 42,-0.1 -0.926 83.7 53.2-123.2 135.3 31.3 51.4 16.1 25 58 A G S > S- 0 0 18 -7,-2.0 4,-2.6 -2,-0.4 5,-0.2 0.302 75.7-103.5 106.7 129.9 28.8 52.7 13.4 26 59 A T H > S+ 0 0 12 -10,-0.4 4,-2.2 1,-0.2 5,-0.2 0.882 110.3 28.3 -48.6 -71.3 27.1 50.9 10.6 27 60 A H H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.808 117.9 58.0 -76.5 -27.1 28.8 51.8 7.3 28 61 A L H > S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.937 110.1 45.5 -58.3 -49.2 32.2 52.3 9.0 29 62 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.919 112.3 50.5 -62.3 -44.9 32.0 48.7 10.3 30 63 A W H X S+ 0 0 9 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.889 109.1 52.6 -59.7 -40.8 30.9 47.4 6.9 31 64 A D H X S+ 0 0 107 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.944 111.2 45.2 -60.4 -50.6 33.7 49.2 5.2 32 65 A R H <>S+ 0 0 76 -4,-2.1 5,-2.8 2,-0.2 -2,-0.2 0.882 114.1 50.1 -59.5 -42.4 36.4 47.7 7.5 33 66 A L H ><5S+ 0 0 3 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.947 113.1 44.7 -62.0 -50.4 34.8 44.2 7.1 34 67 A I H 3<5S+ 0 0 22 -4,-2.8 360,-0.7 1,-0.3 -1,-0.2 0.816 108.0 59.8 -64.8 -30.3 34.7 44.4 3.3 35 68 A G T 3<5S- 0 0 58 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.329 120.1-109.2 -81.8 5.2 38.3 45.8 3.3 36 69 A G T < 5 + 0 0 28 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.690 65.9 152.2 78.5 21.8 39.4 42.6 5.0 37 70 A E < - 0 0 102 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.354 26.1-157.7 -82.8 164.1 40.1 44.2 8.4 38 71 A S - 0 0 55 2,-0.1 310,-0.2 -2,-0.1 309,-0.2 -0.988 21.9-154.2-143.0 151.0 40.0 42.4 11.8 39 72 A G + 0 0 11 308,-2.8 19,-0.7 -2,-0.3 2,-0.3 0.343 56.9 120.4-105.0 4.9 39.6 43.3 15.5 40 73 A I E +L 57 0C 15 306,-0.3 17,-0.2 17,-0.2 2,-0.2 -0.561 35.0 157.6 -76.8 131.8 41.4 40.3 17.0 41 74 A V E -L 56 0C 67 15,-2.7 15,-2.2 -2,-0.3 2,-0.2 -0.813 44.6 -72.1-140.8 176.3 44.4 41.3 19.2 42 75 A S E -L 55 0C 57 -2,-0.2 13,-0.3 13,-0.2 2,-0.2 -0.564 51.7-106.5 -76.1 140.0 46.6 39.9 22.0 43 76 A L - 0 0 23 11,-2.6 2,-0.4 -2,-0.2 -1,-0.1 -0.471 37.6-158.6 -60.9 131.0 45.1 39.7 25.5 44 77 A V + 0 0 119 -2,-0.2 2,-0.1 -3,-0.0 3,-0.1 -0.938 45.4 71.0-118.2 143.0 46.6 42.4 27.7 45 78 A G S > S- 0 0 34 -2,-0.4 3,-1.1 1,-0.1 4,-0.0 -0.160 75.8-110.3 123.2 140.2 46.7 42.3 31.5 46 79 A E G > S+ 0 0 158 1,-0.2 3,-1.5 2,-0.1 4,-0.2 0.735 105.7 78.3 -71.8 -22.6 48.6 40.2 34.0 47 80 A E G > S+ 0 0 106 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.601 82.5 68.1 -61.5 -12.5 45.5 38.3 35.1 48 81 A Y G X + 0 0 23 -3,-1.1 3,-1.4 1,-0.2 -1,-0.3 0.429 68.8 89.0 -95.1 0.2 45.7 36.2 31.9 49 82 A K G < S+ 0 0 189 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.751 79.8 67.8 -63.9 -23.7 48.9 34.2 32.7 50 83 A S G < S+ 0 0 45 -3,-0.5 509,-0.3 -4,-0.2 -1,-0.2 0.524 97.2 62.5 -73.3 -6.8 46.5 31.6 34.4 51 84 A I S < S- 0 0 13 -3,-1.4 162,-0.1 2,-0.2 159,-0.0 -0.928 75.7-134.1-126.9 148.7 45.0 30.6 31.0 52 85 A P S S+ 0 0 60 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.703 82.0 93.2 -68.6 -22.1 46.4 29.0 27.8 53 86 A C + 0 0 8 1,-0.1 -2,-0.2 -5,-0.0 170,-0.2 -0.467 44.5 173.7 -75.3 142.5 44.5 31.5 25.6 54 87 A S + 0 0 37 168,-0.3 -11,-2.6 170,-0.3 2,-0.3 0.368 54.6 63.0-131.1 5.2 46.4 34.7 24.5 55 88 A V E +L 42 0C 1 167,-0.3 188,-0.4 -13,-0.3 2,-0.3 -0.897 44.6 153.2-133.7 159.0 44.0 36.4 22.1 56 89 A A E -L 41 0C 0 -15,-2.2 -15,-2.7 -2,-0.3 2,-0.6 -0.947 40.4-110.5-170.0 166.5 40.5 38.0 22.0 57 90 A A E -Lm 40 244C 0 186,-2.5 188,-1.0 -2,-0.3 2,-0.3 -0.939 36.0-170.0-115.3 108.7 38.6 40.7 20.0 58 91 A Y - 0 0 68 -19,-0.7 -38,-0.1 -2,-0.6 -2,-0.0 -0.692 29.8-111.0 -96.2 150.4 37.8 43.8 22.0 59 92 A V - 0 0 5 -2,-0.3 2,-0.4 -40,-0.1 8,-0.1 -0.670 43.6-116.1 -68.4 126.2 35.5 46.7 21.2 60 93 A P - 0 0 40 0, 0.0 8,-3.3 0, 0.0 2,-0.3 -0.567 33.9-155.4 -72.2 125.5 37.9 49.7 20.6 61 94 A R B +n 68 0D 106 -2,-0.4 2,-0.3 6,-0.3 8,-0.2 -0.794 39.4 79.9-109.0 144.9 37.3 52.4 23.2 62 95 A G S S- 0 0 27 6,-1.5 4,-0.1 -2,-0.3 5,-0.1 -0.920 80.7 -78.8 149.5-175.4 38.0 56.1 22.9 63 96 A S S S+ 0 0 104 -2,-0.3 6,-0.1 2,-0.1 3,-0.1 0.472 86.1 106.0-104.1 -6.4 36.7 59.4 21.4 64 97 A D S > S- 0 0 106 1,-0.1 3,-1.5 4,-0.1 2,-0.2 -0.273 87.7 -84.5 -62.8 159.3 37.8 59.0 17.8 65 98 A E T 3 S+ 0 0 177 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.491 118.9 26.0 -65.3 136.5 35.1 58.2 15.2 66 99 A G T 3 S+ 0 0 5 1,-0.4 -42,-1.2 -2,-0.2 2,-0.3 0.385 101.1 105.8 85.7 -4.2 34.4 54.4 15.1 67 100 A Q S < S- 0 0 59 -3,-1.5 2,-0.6 -44,-0.2 -1,-0.4 -0.691 76.8-109.9 -97.8 160.4 35.6 53.9 18.7 68 101 A F B -n 61 0D 3 -8,-3.3 -6,-1.5 -2,-0.3 2,-0.6 -0.835 31.7-179.6 -96.4 118.8 33.1 53.3 21.6 69 102 A N > - 0 0 47 -2,-0.6 3,-2.1 -8,-0.2 4,-0.4 -0.923 13.2-161.9-119.3 104.2 32.7 56.1 24.1 70 103 A E G >> S+ 0 0 38 -2,-0.6 4,-2.5 1,-0.3 3,-1.7 0.768 85.9 67.9 -53.4 -33.5 30.2 55.1 26.8 71 104 A Q G 34 S+ 0 0 122 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.633 87.6 66.6 -69.9 -16.8 29.7 58.7 27.8 72 105 A N G <4 S+ 0 0 113 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.733 117.2 24.3 -66.9 -24.7 27.9 59.5 24.5 73 106 A F T <4 S+ 0 0 24 -3,-1.7 2,-0.3 -4,-0.4 -2,-0.2 0.776 124.1 32.2-114.3 -38.2 25.1 57.2 25.5 74 107 A V S < S- 0 0 7 -4,-2.5 -1,-0.3 2,-0.0 2,-0.1 -0.930 72.3-117.7-130.1 151.0 25.0 56.9 29.3 75 108 A S >> - 0 0 57 -2,-0.3 4,-1.4 1,-0.1 3,-0.6 -0.371 33.4-108.1 -80.4 162.8 25.7 59.2 32.2 76 109 A K T 34 S+ 0 0 117 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.834 122.3 56.2 -58.9 -32.8 28.3 58.5 34.9 77 110 A S T 34 S+ 0 0 92 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.812 105.0 50.9 -67.3 -34.3 25.5 57.8 37.3 78 111 A D T X4 S+ 0 0 44 -3,-0.6 3,-0.8 1,-0.2 4,-0.5 0.777 96.4 69.4 -73.6 -28.8 24.0 55.1 35.0 79 112 A I T 3< S+ 0 0 23 -4,-1.4 3,-0.2 1,-0.2 -1,-0.2 0.726 94.9 55.7 -66.6 -21.3 27.4 53.3 34.6 80 113 A K T 3 S+ 0 0 121 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.762 113.1 39.4 -80.5 -26.4 27.2 52.2 38.3 81 114 A S S < S+ 0 0 22 -3,-0.8 2,-0.4 -4,-0.4 -2,-0.2 0.274 109.0 69.7-107.8 7.8 23.8 50.5 37.8 82 115 A M S S- 0 0 10 -4,-0.5 67,-0.1 -3,-0.2 2,-0.1 -0.978 74.6-128.7-128.6 141.4 24.3 49.0 34.4 83 116 A S > - 0 0 5 -2,-0.4 4,-2.2 66,-0.3 5,-0.2 -0.364 33.0-105.2 -77.7 164.1 26.6 46.1 33.2 84 117 A S H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.900 120.8 51.7 -58.4 -44.7 29.0 46.6 30.3 85 118 A P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.883 108.9 52.1 -61.6 -35.3 26.8 44.5 27.9 86 119 A T H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.949 110.1 47.9 -64.4 -47.7 23.8 46.6 28.8 87 120 A I H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.910 111.3 50.8 -57.9 -44.4 25.8 49.8 28.0 88 121 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.912 109.9 51.2 -59.1 -42.5 26.9 48.3 24.7 89 122 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.869 107.2 51.8 -64.0 -39.1 23.3 47.4 23.9 90 123 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.906 111.0 49.0 -64.3 -41.2 22.0 51.0 24.6 91 124 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.949 113.1 46.2 -59.7 -51.3 24.8 52.3 22.2 92 125 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 157,-0.2 0.871 112.6 50.1 -62.0 -39.7 23.8 49.9 19.5 93 126 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.899 109.3 51.4 -66.4 -41.4 20.1 50.6 19.9 94 127 A E H X S+ 0 0 66 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.924 112.5 45.7 -59.6 -45.5 20.6 54.3 19.7 95 128 A L H X S+ 0 0 22 -4,-2.1 4,-2.5 2,-0.2 -79,-0.3 0.846 112.1 52.6 -68.0 -34.4 22.6 54.0 16.5 96 129 A A H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.919 110.8 45.0 -67.5 -47.5 20.1 51.5 15.0 97 130 A M H X>S+ 0 0 3 -4,-2.5 5,-1.6 2,-0.2 4,-1.6 0.890 114.8 49.3 -64.3 -40.1 17.1 53.9 15.6 98 131 A K H <5S+ 0 0 132 -4,-2.2 3,-0.2 -5,-0.2 -2,-0.2 0.921 109.7 51.3 -62.1 -44.3 19.1 56.8 14.3 99 132 A D H <5S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.785 116.6 42.0 -62.2 -27.1 20.0 54.7 11.2 100 133 A S H <5S- 0 0 8 -4,-1.3 -1,-0.2 2,-0.1 164,-0.2 0.662 102.2-129.6 -91.6 -23.8 16.3 53.9 10.8 101 134 A G T <5 + 0 0 43 -4,-1.6 2,-0.7 -3,-0.2 -3,-0.2 0.712 61.9 139.7 73.0 22.5 15.0 57.4 11.4 102 135 A W < + 0 0 20 -5,-1.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.887 11.6 150.8-104.5 108.9 12.5 55.9 13.9 103 136 A H - 0 0 105 -2,-0.7 2,-0.1 -3,-0.1 7,-0.1 -0.768 36.1-147.2-135.5 83.7 12.1 57.9 17.1 104 137 A P + 0 0 6 0, 0.0 -2,-0.0 0, 0.0 3,-0.0 -0.334 31.0 159.4 -63.9 128.6 8.5 57.2 18.3 105 138 A Q + 0 0 152 -2,-0.1 2,-0.0 0, 0.0 0, 0.0 0.739 48.9 76.0-115.7 -44.8 6.9 60.2 20.1 106 139 A S S > S- 0 0 57 1,-0.1 4,-2.1 4,-0.0 5,-0.2 -0.264 86.3-115.4 -68.9 158.0 3.1 59.6 20.0 107 140 A E H > S+ 0 0 114 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.917 116.8 52.9 -61.4 -41.0 1.5 57.2 22.3 108 141 A A H > S+ 0 0 57 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.880 110.4 45.9 -62.6 -41.3 0.5 55.0 19.3 109 142 A D H 4 S+ 0 0 56 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.828 112.8 51.1 -70.9 -35.1 4.0 54.9 17.9 110 143 A Q H >< S+ 0 0 28 -4,-2.1 56,-2.5 1,-0.2 3,-1.0 0.924 112.0 45.3 -69.0 -44.1 5.5 54.1 21.4 111 144 A V H 3< S+ 0 0 40 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.760 109.9 56.9 -70.3 -23.6 3.0 51.2 22.0 112 145 A A T 3< S+ 0 0 17 -4,-1.3 84,-2.3 -5,-0.2 85,-2.0 0.523 97.1 76.3 -82.0 -7.8 3.6 49.9 18.4 113 146 A T E < +e 197 0B 0 -3,-1.0 54,-2.6 -4,-0.3 85,-0.2 -0.927 61.0 175.4-113.3 119.6 7.4 49.6 19.1 114 147 A G E -e 198 0B 0 83,-2.3 85,-2.5 -2,-0.5 2,-0.4 -0.484 21.6-127.8-111.7-175.0 8.9 46.8 21.1 115 148 A V E +ef 199 169B 1 53,-2.5 55,-2.4 83,-0.2 2,-0.3 -1.000 19.1 175.1-139.3 132.1 12.3 45.5 22.1 116 149 A A E +ef 200 170B 2 83,-2.6 85,-2.5 -2,-0.4 2,-0.5 -0.764 20.7 153.4-137.9 89.5 13.8 42.0 21.9 117 150 A I E -e 201 0B 0 53,-0.9 39,-0.5 -2,-0.3 85,-0.3 -0.981 21.8-163.7-123.5 124.1 17.5 42.0 23.0 118 151 A G E -e 202 0B 0 83,-2.4 85,-1.5 -2,-0.5 2,-0.3 -0.570 9.6-153.7-105.0 169.5 19.1 38.9 24.3 119 152 A M E -e 203 0B 3 53,-1.3 56,-0.2 83,-0.2 85,-0.2 -0.994 7.6-153.5-144.4 134.1 22.3 38.2 26.3 120 153 A G S S+ 0 0 3 83,-0.7 452,-0.4 -2,-0.3 55,-0.4 0.850 78.1 7.5 -78.9 -35.3 24.2 34.9 26.3 121 154 A M S S- 0 0 8 450,-0.1 84,-0.3 54,-0.1 -1,-0.3 -0.992 73.6-116.5-152.4 138.2 25.8 35.0 29.7 122 155 A I - 0 0 14 448,-0.4 2,-0.9 -2,-0.3 28,-0.1 -0.256 51.6 -81.7 -71.1 163.0 25.5 37.3 32.8 123 156 A P > - 0 0 18 0, 0.0 4,-1.5 0, 0.0 3,-0.3 -0.547 42.7-166.8 -75.6 107.1 28.6 39.3 33.9 124 157 A L H > S+ 0 0 6 -2,-0.9 4,-2.6 1,-0.2 5,-0.1 0.819 82.5 55.0 -62.8 -35.8 30.6 36.8 35.9 125 158 A E H > S+ 0 0 60 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.860 103.0 54.8 -71.1 -37.0 32.9 39.3 37.5 126 159 A V H > S+ 0 0 30 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.932 112.5 43.7 -61.2 -46.1 30.0 41.4 39.0 127 160 A V H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.943 114.9 51.3 -60.1 -48.3 28.7 38.3 40.7 128 161 A S H X S+ 0 0 27 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.872 113.5 42.3 -56.3 -46.1 32.2 37.4 41.8 129 162 A E H X S+ 0 0 124 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.859 113.2 51.6 -74.4 -37.5 33.0 40.8 43.3 130 163 A T H X S+ 0 0 22 -4,-2.2 4,-3.0 -5,-0.3 5,-0.2 0.906 106.9 55.1 -66.2 -41.4 29.7 41.2 45.0 131 164 A A H X S+ 0 0 2 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.938 111.5 43.5 -55.6 -48.9 30.0 37.8 46.6 132 165 A L H X S+ 0 0 110 -4,-1.5 4,-2.0 2,-0.2 5,-0.3 0.904 113.9 50.5 -64.9 -43.9 33.4 38.8 48.1 133 166 A N H X>S+ 0 0 58 -4,-2.4 4,-2.7 2,-0.2 5,-0.6 0.902 111.9 48.1 -59.5 -44.4 32.1 42.2 49.2 134 167 A F H X5S+ 0 0 27 -4,-3.0 4,-1.2 3,-0.2 -2,-0.2 0.933 113.6 47.2 -59.6 -47.8 29.1 40.6 50.9 135 168 A Q H <5S+ 0 0 133 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.803 125.9 26.7 -67.6 -31.9 31.2 38.0 52.7 136 169 A T H <5S+ 0 0 89 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.716 132.0 30.0-107.9 -26.1 33.8 40.5 54.0 137 170 A K H <5S- 0 0 140 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.465 106.5-121.7-116.5 -7.4 32.1 43.9 54.3 138 171 A G ><< - 0 0 28 -4,-1.2 3,-1.6 -5,-0.6 4,-0.3 -0.038 33.0 -56.8 96.7 169.5 28.5 42.7 55.0 139 172 A Y G > S+ 0 0 14 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.889 124.4 59.6 -48.6 -49.0 24.9 42.9 53.8 140 173 A N G 3 S+ 0 0 113 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.433 98.7 59.5 -73.8 3.1 24.8 46.7 53.8 141 174 A K G < S+ 0 0 140 -3,-1.6 2,-0.3 -8,-0.1 -1,-0.3 0.455 78.2 104.7-104.2 -7.5 27.7 47.0 51.4 142 175 A V S < S- 0 0 1 -3,-2.0 -12,-0.0 -4,-0.3 -11,-0.0 -0.609 82.9-110.4 -70.3 131.1 25.9 45.0 48.6 143 176 A S > - 0 0 48 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.430 9.4-135.6 -65.6 134.2 24.7 47.5 45.9 144 177 A P T 3 S+ 0 0 58 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.682 108.1 58.8 -57.1 -16.5 21.0 48.0 45.7 145 178 A F T 3> S+ 0 0 99 1,-0.2 4,-1.2 2,-0.1 5,-0.2 0.364 74.0 100.3 -95.7 1.9 21.6 47.7 41.9 146 179 A F H <> S+ 0 0 3 -3,-1.8 4,-1.6 2,-0.2 3,-0.4 0.935 85.4 42.4 -54.0 -56.0 23.2 44.2 42.0 147 180 A V H >> S+ 0 0 2 487,-0.4 4,-1.1 -4,-0.3 3,-0.8 0.967 115.9 47.4 -56.9 -56.6 20.0 42.4 40.9 148 181 A P H 34 S+ 0 0 8 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.668 112.7 53.6 -60.4 -15.8 19.1 44.9 38.1 149 182 A K H 3< S+ 0 0 46 -4,-1.2 -66,-0.3 -3,-0.4 -2,-0.2 0.807 112.6 40.2 -86.1 -31.3 22.7 44.8 37.0 150 183 A I H << S+ 0 0 2 -4,-1.6 2,-0.3 -3,-0.8 -3,-0.1 0.430 83.2 109.6-103.0 -1.9 22.9 41.0 36.6 151 184 A L >< - 0 0 7 -4,-1.1 3,-1.8 1,-0.1 4,-0.3 -0.625 65.5-135.9 -77.9 134.1 19.5 40.0 35.0 152 185 A V T > S+ 0 0 4 388,-0.4 3,-0.6 -2,-0.3 4,-0.3 0.815 102.5 54.8 -52.8 -37.2 19.7 38.8 31.4 153 186 A N T 3> S+ 0 0 0 1,-0.2 4,-2.2 387,-0.2 -1,-0.3 0.389 80.5 95.8 -82.7 4.8 16.7 40.8 30.3 154 187 A M H <> S+ 0 0 1 -3,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.822 76.8 56.8 -70.3 -30.8 18.1 44.1 31.7 155 188 A A H <> S+ 0 0 0 -3,-0.6 4,-2.1 -4,-0.3 -1,-0.2 0.931 111.7 43.7 -61.9 -45.4 19.5 45.3 28.3 156 189 A A H > S+ 0 0 0 -39,-0.5 4,-2.3 -4,-0.3 -2,-0.2 0.892 114.2 51.5 -65.4 -41.0 16.0 45.1 26.8 157 190 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.926 112.0 45.5 -60.3 -47.6 14.5 46.7 29.9 158 191 A Q H X S+ 0 0 21 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.866 112.3 50.1 -66.8 -39.3 16.9 49.6 29.8 159 192 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 6,-0.2 0.927 111.4 50.3 -64.8 -43.4 16.5 50.2 26.0 160 193 A S H X>S+ 0 0 0 -4,-2.3 5,-2.0 2,-0.2 4,-0.9 0.938 114.7 43.2 -54.5 -52.6 12.7 50.2 26.4 161 194 A I H ><5S+ 0 0 36 -4,-2.3 3,-0.8 3,-0.2 -2,-0.2 0.957 114.2 50.6 -60.2 -52.1 12.9 52.7 29.3 162 195 A R H 3<5S+ 0 0 80 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.819 123.6 27.8 -57.5 -39.4 15.5 55.0 27.5 163 196 A Y H 3<5S- 0 0 41 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.303 106.4-117.8-110.8 6.4 13.6 55.2 24.2 164 197 A K T <<5 + 0 0 93 -4,-0.9 2,-0.6 -3,-0.8 -3,-0.2 0.925 48.8 169.5 56.5 52.2 10.0 54.8 25.6 165 198 A L < + 0 0 1 -5,-2.0 -1,-0.2 -6,-0.2 -54,-0.2 -0.868 7.3 173.9 -98.1 115.9 9.3 51.6 23.7 166 199 A K + 0 0 27 -56,-2.5 530,-1.5 -2,-0.6 -55,-0.2 0.379 43.1 90.2-113.2 1.1 6.1 50.1 25.0 167 200 A G S S- 0 0 5 -54,-2.6 -52,-0.2 -57,-0.7 -55,-0.1 0.060 93.5 -19.9 -79.5-160.3 5.3 47.1 22.8 168 201 A P - 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