==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-JUL-00 1F91 . COMPND 2 MOLECULE: BETA-KETOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.G.OLSEN,A.KADZIOLA,P.V.WETTSTEIN-KNOWLES,M.SIGGAARD- . 1624 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1166 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 214 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 6 0.4 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 . 123 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 179 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 445 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 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 15 6 7 4 1 3 4 8 0 0 4 8 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 16 4 8 0 0 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 PARALLEL BRIDGES PER LADDER . 8 10 4 0 0 0 0 16 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 . 8 2 0 0 0 0 0 0 0 4 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 0 192 0, 0.0 177,-0.1 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0 -55.2 13.7 55.7 50.4 2 2 A K - 0 0 99 176,-0.6 2,-0.2 175,-0.2 178,-0.0 -0.303 360.0-113.7 -69.3 155.1 11.9 56.5 53.6 3 3 A R - 0 0 85 174,-0.1 240,-2.1 175,-0.0 2,-0.4 -0.608 27.4-147.5 -90.9 152.3 11.8 60.1 54.9 4 4 A V E +A 242 0A 2 253,-0.5 253,-2.4 238,-0.2 2,-0.3 -0.962 16.2 176.8-127.7 139.7 13.5 61.2 58.1 5 5 A V E -AB 241 256A 0 236,-2.9 236,-3.2 -2,-0.4 2,-0.6 -0.875 29.8-121.2-134.3 165.5 12.7 63.8 60.7 6 6 A I E +AB 240 255A 1 249,-2.4 248,-2.3 -2,-0.3 249,-0.9 -0.948 28.2 172.3-110.5 119.3 14.0 65.1 64.0 7 7 A T E + 0 0 0 232,-2.0 245,-0.4 -2,-0.6 2,-0.3 0.252 61.3 17.1-112.1 11.6 11.5 64.8 66.8 8 8 A G E -A 239 0A 0 231,-0.5 231,-2.4 78,-0.1 2,-0.3 -0.948 56.1-166.6-175.7 154.7 13.5 65.7 69.8 9 9 A L E -A 238 0A 1 -2,-0.3 2,-0.3 229,-0.2 229,-0.2 -0.996 3.7-174.2-152.5 152.8 16.7 67.4 71.0 10 10 A G E +A 237 0A 0 227,-2.1 227,-2.1 -2,-0.3 2,-0.3 -0.984 13.6 177.3-143.9 149.5 18.8 67.8 74.1 11 11 A I E -A 236 0A 0 -2,-0.3 2,-0.4 225,-0.2 225,-0.2 -0.990 23.7-172.1-161.9 148.7 21.9 69.9 74.7 12 12 A V E +A 235 0A 0 223,-2.6 223,-2.6 -2,-0.3 2,-0.3 -0.918 36.8 144.2-140.1 105.7 24.5 71.0 77.2 13 13 A S B > -K 16 0B 0 3,-3.2 3,-1.6 -2,-0.4 40,-0.5 -0.806 64.1 -86.6-139.1-178.7 26.8 73.7 76.0 14 14 A S T 3 S+ 0 0 6 219,-0.4 37,-0.2 1,-0.3 3,-0.1 0.657 125.3 43.7 -63.8 -17.4 28.8 76.8 76.9 15 15 A I T 3 S- 0 0 8 1,-0.3 10,-0.4 35,-0.1 -1,-0.3 0.181 125.9 -5.5-115.7 18.1 25.7 79.0 76.2 16 16 A G B < -K 13 0B 6 -3,-1.6 -3,-3.2 9,-0.1 -1,-0.3 -0.688 44.9-134.9 160.5 146.9 23.0 76.9 78.0 17 17 A N S S+ 0 0 27 -5,-0.2 2,-0.3 -2,-0.2 -6,-0.2 0.297 94.6 14.7-100.4 7.5 22.1 73.7 79.8 18 18 A N S > S- 0 0 46 -8,-0.1 4,-2.2 -5,-0.1 3,-0.2 -0.951 92.7 -89.4-165.9 169.3 18.9 73.1 77.9 19 19 A Q H > S+ 0 0 27 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.835 121.6 58.3 -61.4 -31.3 17.2 74.3 74.7 20 20 A Q H > S+ 0 0 131 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.932 109.6 43.0 -62.5 -47.6 15.5 77.2 76.6 21 21 A E H > S+ 0 0 84 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.923 114.1 51.2 -64.8 -42.8 18.8 78.6 77.8 22 22 A V H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.907 107.4 53.1 -60.7 -43.9 20.4 78.2 74.4 23 23 A L H X S+ 0 0 27 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.950 109.1 49.6 -56.5 -48.9 17.5 79.9 72.7 24 24 A A H X S+ 0 0 35 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.921 113.4 45.9 -56.3 -47.5 17.9 82.9 75.0 25 25 A S H X>S+ 0 0 6 -4,-2.3 5,-2.1 -10,-0.4 4,-1.2 0.922 113.0 49.4 -62.7 -46.6 21.7 83.1 74.4 26 26 A L H ><5S+ 0 0 0 -4,-3.1 3,-0.8 1,-0.2 -2,-0.2 0.951 110.8 49.3 -58.3 -51.5 21.3 82.8 70.6 27 27 A R H 3<5S+ 0 0 101 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.854 119.1 39.0 -57.1 -37.0 18.7 85.5 70.4 28 28 A E H 3<5S- 0 0 128 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.509 105.4-125.3 -93.0 -5.8 20.8 87.8 72.5 29 29 A G T <<5 + 0 0 16 -4,-1.2 2,-0.4 -3,-0.8 -3,-0.2 0.925 46.8 173.4 62.3 44.0 24.1 86.9 71.0 30 30 A R < - 0 0 118 -5,-2.1 -1,-0.2 -6,-0.1 2,-0.2 -0.711 26.8-127.9 -91.5 135.8 25.6 86.1 74.3 31 31 A S - 0 0 17 -2,-0.4 300,-0.2 1,-0.1 299,-0.1 -0.508 12.8-164.0 -80.9 146.2 29.1 84.5 74.6 32 32 A G + 0 0 3 298,-2.8 19,-0.6 -2,-0.2 2,-0.3 0.295 55.5 114.9-108.9 6.4 29.8 81.4 76.6 33 33 A I E +L 50 0C 3 297,-0.5 2,-0.3 17,-0.2 17,-0.2 -0.596 38.7 167.5 -81.7 136.3 33.5 81.9 76.7 34 34 A T E -L 49 0C 46 15,-2.3 15,-1.8 -2,-0.3 2,-0.3 -0.833 41.8 -82.0-138.0 174.8 35.2 82.6 80.0 35 35 A F E -L 48 0C 88 -2,-0.3 2,-0.6 13,-0.2 13,-0.2 -0.631 39.9-146.8 -80.8 138.4 38.7 82.7 81.5 36 36 A S > - 0 0 1 11,-3.1 4,-1.8 -2,-0.3 5,-0.1 -0.915 17.6-173.9-112.8 111.2 40.1 79.3 82.5 37 37 A Q H > S+ 0 0 98 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.885 89.1 59.6 -64.7 -37.5 42.4 79.2 85.5 38 38 A E H > S+ 0 0 59 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.886 104.9 47.0 -58.2 -44.4 43.0 75.5 84.6 39 39 A L H >>S+ 0 0 0 2,-0.2 5,-1.7 1,-0.2 4,-0.6 0.939 113.0 48.8 -65.6 -45.7 44.4 76.3 81.2 40 40 A K H ><5S+ 0 0 79 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.933 111.3 49.1 -59.3 -48.4 46.7 79.1 82.5 41 41 A D H 3<5S+ 0 0 91 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.792 101.6 64.2 -63.1 -28.3 48.1 76.9 85.3 42 42 A S H 3<5S- 0 0 16 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.689 119.8-108.3 -69.7 -16.1 48.8 74.1 82.8 43 43 A G T <<5 + 0 0 18 -3,-1.5 490,-0.3 -4,-0.6 -3,-0.2 0.528 69.5 145.9 101.0 7.6 51.3 76.4 81.1 44 44 A M < - 0 0 6 -5,-1.7 -1,-0.2 2,-0.1 155,-0.1 -0.291 50.6-140.3 -75.1 162.2 49.2 77.1 78.0 45 45 A R S S+ 0 0 122 154,-0.1 2,-0.5 -2,-0.0 167,-0.1 0.712 89.0 72.9 -91.6 -27.4 49.2 80.4 76.1 46 46 A S + 0 0 0 1,-0.1 163,-0.1 -7,-0.1 -2,-0.1 -0.805 56.1 174.2 -90.7 124.4 45.5 80.2 75.5 47 47 A H + 0 0 33 -2,-0.5 -11,-3.1 161,-0.2 2,-0.3 0.089 48.1 85.9-118.6 22.3 43.5 80.9 78.7 48 48 A V E +L 35 0C 0 160,-0.3 183,-0.4 -13,-0.2 2,-0.3 -0.905 45.6 162.9-124.6 153.5 39.9 80.9 77.4 49 49 A W E -L 34 0C 30 -15,-1.8 -15,-2.3 -2,-0.3 2,-1.0 -0.991 42.7-113.7-161.6 162.4 37.3 78.3 76.8 50 50 A G E -Lm 33 232C 0 181,-2.1 183,-2.2 -2,-0.3 2,-0.2 -0.824 48.4-175.6-102.4 91.1 33.7 77.5 76.3 51 51 A N - 0 0 34 -2,-1.0 2,-0.6 -19,-0.6 -38,-0.1 -0.552 32.7-109.6 -92.4 154.0 32.9 75.6 79.4 52 52 A V - 0 0 19 -2,-0.2 2,-1.6 1,-0.1 -38,-0.2 -0.716 26.4-147.8 -79.3 119.4 29.7 73.8 80.5 53 53 A K + 0 0 85 -2,-0.6 2,-0.3 -40,-0.5 -36,-0.1 -0.545 61.0 103.1 -88.4 69.2 28.3 76.0 83.4 54 54 A L - 0 0 64 -2,-1.6 2,-0.8 -42,-0.0 -2,-0.1 -0.973 67.1-135.0-155.9 135.5 26.8 73.0 85.2 55 55 A D - 0 0 116 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 -0.831 19.5-172.7 -90.9 113.9 27.5 70.9 88.3 56 56 A T > + 0 0 37 -2,-0.8 3,-2.8 2,-0.1 4,-0.3 0.661 37.3 132.1 -81.8 -16.3 26.9 67.4 87.1 57 57 A T T 3 S- 0 0 106 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 -0.002 82.3 -2.2 -38.2 129.8 27.4 65.9 90.6 58 58 A G T 3 S+ 0 0 76 2,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.508 97.3 114.2 63.3 5.0 24.6 63.5 91.5 59 59 A L S < S+ 0 0 81 -3,-2.8 2,-0.4 1,-0.1 -2,-0.1 0.608 77.8 44.2 -81.1 -9.2 22.7 64.1 88.2 60 60 A I S S- 0 0 16 -4,-0.3 -2,-0.2 2,-0.0 -1,-0.1 -0.993 101.0 -92.7-135.9 141.3 23.4 60.5 87.2 61 61 A D >> - 0 0 96 -2,-0.4 4,-3.0 1,-0.1 3,-1.1 -0.205 32.7-126.1 -53.3 136.7 23.1 57.3 89.2 62 62 A R H 3> S+ 0 0 201 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.842 108.9 55.1 -53.7 -38.6 26.4 56.3 90.9 63 63 A K H 34 S+ 0 0 126 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.787 116.6 37.3 -69.7 -24.1 26.3 52.8 89.4 64 64 A V H X4 S+ 0 0 38 -3,-1.1 3,-1.5 2,-0.1 4,-0.3 0.893 112.7 52.5 -92.1 -46.9 26.0 54.3 85.9 65 65 A V H >< S+ 0 0 46 -4,-3.0 3,-1.4 1,-0.3 -3,-0.2 0.685 90.3 79.0 -65.0 -18.7 28.3 57.3 86.1 66 66 A R T 3< S+ 0 0 85 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.1 0.684 94.8 48.7 -64.8 -17.6 31.2 55.3 87.4 67 67 A F T < S+ 0 0 31 -3,-1.5 -1,-0.3 78,-0.1 2,-0.2 0.520 99.4 99.1 -95.9 -7.6 31.9 54.1 83.9 68 68 A M < - 0 0 6 -3,-1.4 2,-0.2 -4,-0.3 68,-0.2 -0.557 51.7-161.5 -97.7 149.2 31.8 57.6 82.4 69 69 A S > - 0 0 3 66,-0.2 4,-2.0 -2,-0.2 3,-0.2 -0.555 49.7 -92.0-103.1 173.3 34.1 60.3 81.3 70 70 A D H > S+ 0 0 41 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.854 124.8 58.4 -60.2 -36.6 32.8 63.9 80.8 71 71 A A H > S+ 0 0 0 37,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.945 110.1 45.0 -58.2 -44.9 32.0 63.5 77.1 72 72 A S H > S+ 0 0 0 2,-0.2 4,-3.0 -3,-0.2 -1,-0.2 0.885 110.6 53.5 -65.6 -39.5 29.7 60.6 78.1 73 73 A I H X S+ 0 0 13 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.939 111.2 45.9 -61.3 -46.5 28.1 62.6 81.0 74 74 A Y H X S+ 0 0 26 -4,-2.8 4,-2.1 2,-0.2 161,-0.2 0.910 115.0 46.1 -63.2 -44.2 27.3 65.5 78.7 75 75 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.914 112.3 52.4 -65.8 -40.4 25.9 63.2 76.0 76 76 A F H X S+ 0 0 17 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.936 110.1 46.4 -59.8 -49.5 23.9 61.3 78.6 77 77 A L H X S+ 0 0 13 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.889 112.2 52.4 -61.3 -37.6 22.3 64.4 80.1 78 78 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.821 107.1 52.5 -67.6 -32.1 21.5 65.5 76.5 79 79 A M H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.890 104.5 54.2 -71.7 -40.3 19.8 62.2 75.7 80 80 A E H X S+ 0 0 88 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.945 112.1 46.3 -56.1 -47.5 17.6 62.4 78.8 81 81 A Q H X S+ 0 0 52 -4,-1.7 4,-3.0 1,-0.2 -72,-0.2 0.927 112.2 49.8 -59.1 -48.9 16.5 65.9 77.6 82 82 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.853 109.1 52.0 -60.6 -37.9 16.0 64.6 74.0 83 83 A I H <>S+ 0 0 14 -4,-2.8 5,-2.0 2,-0.2 4,-0.4 0.925 113.6 43.2 -66.0 -44.5 13.9 61.6 75.2 84 84 A A H ><5S+ 0 0 76 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.938 113.8 51.0 -65.8 -47.2 11.6 63.9 77.2 85 85 A D H 3<5S+ 0 0 50 -4,-3.0 167,-0.2 1,-0.3 -1,-0.2 0.786 108.3 53.1 -61.3 -29.2 11.4 66.4 74.4 86 86 A A T 3<5S- 0 0 4 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.517 109.4-124.4 -85.0 -5.9 10.5 63.7 72.0 87 87 A G T < 5 + 0 0 59 -3,-1.5 2,-0.3 -4,-0.4 -3,-0.2 0.792 58.1 151.1 68.2 28.7 7.6 62.5 74.2 88 88 A L < - 0 0 14 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.715 31.5-154.9 -95.8 144.5 9.0 58.9 74.3 89 89 A S >> - 0 0 61 -2,-0.3 3,-2.8 1,-0.1 4,-0.8 -0.843 32.7 -99.8-115.1 154.6 8.5 56.5 77.2 90 90 A P H >> S+ 0 0 57 0, 0.0 4,-2.9 0, 0.0 3,-1.2 0.825 118.4 54.5 -37.2 -56.7 10.7 53.6 78.2 91 91 A E H 34 S+ 0 0 152 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.633 106.0 57.0 -62.3 -8.7 8.7 50.8 76.7 92 92 A A H <4 S+ 0 0 41 -3,-2.8 -1,-0.2 1,-0.1 -4,-0.0 0.737 123.4 17.1 -92.7 -24.9 8.9 52.6 73.3 93 93 A Y H X< S+ 0 0 14 -3,-1.2 3,-0.6 -4,-0.8 60,-0.3 0.511 106.4 91.2-122.9 -10.3 12.7 52.9 73.0 94 94 A Q T 3< S+ 0 0 44 -4,-2.9 58,-0.2 -5,-0.3 57,-0.2 -0.626 99.2 0.1 -90.8 147.3 13.9 50.3 75.5 95 95 A N T 3 S+ 0 0 91 56,-2.4 -1,-0.2 -2,-0.3 57,-0.1 0.834 97.2 138.1 45.5 38.6 14.6 46.6 74.6 96 96 A N X - 0 0 44 -3,-0.6 3,-2.1 55,-0.5 57,-0.7 -0.945 48.4-157.8-120.0 112.0 13.6 47.5 71.1 97 97 A P T 3 S+ 0 0 61 0, 0.0 58,-0.2 0, 0.0 -1,-0.1 0.713 93.9 59.8 -57.1 -25.0 15.6 46.1 68.1 98 98 A R T 3 S+ 0 0 88 56,-0.1 85,-2.8 84,-0.1 86,-1.6 0.381 93.9 78.7 -86.6 2.8 14.4 49.0 65.9 99 99 A V E < +c 184 0A 2 -3,-2.1 55,-2.1 83,-0.2 54,-0.7 -0.955 60.2 164.4-118.1 124.1 15.9 51.6 68.2 100 100 A G E -c 185 0A 0 84,-2.4 86,-2.8 -2,-0.5 2,-0.3 -0.621 27.7-131.7-127.9-173.7 19.6 52.5 68.1 101 101 A L E +cd 186 156A 0 54,-2.3 56,-1.3 84,-0.3 2,-0.4 -0.975 14.6 176.5-147.8 127.4 22.3 55.0 69.1 102 102 A I E +cd 187 157A 0 84,-3.0 86,-1.3 -2,-0.3 2,-0.3 -0.906 28.1 138.9-132.5 101.4 25.1 56.5 67.1 103 103 A A E +c 188 0A 0 54,-0.9 40,-0.3 -2,-0.4 86,-0.3 -0.996 17.7 164.1-145.0 146.6 27.1 59.1 69.1 104 104 A G E -c 189 0A 0 84,-1.4 86,-1.6 -2,-0.3 2,-0.3 -0.855 24.5-130.0-150.1-175.5 30.8 59.9 69.5 105 105 A S - 0 0 2 34,-0.4 57,-0.2 -2,-0.3 86,-0.2 -0.888 22.3-125.5-136.5 166.5 33.5 62.2 70.5 106 106 A G S S+ 0 0 7 84,-0.3 440,-1.9 -2,-0.3 441,-0.5 0.836 104.5 14.9 -85.0 -34.9 36.6 63.6 68.9 107 107 A G S S- 0 0 11 1,-0.3 2,-0.8 438,-0.2 -1,-0.1 0.393 84.0-142.3-123.1 5.6 39.2 62.6 71.4 108 108 A G S S- 0 0 4 31,-0.2 84,-0.4 1,-0.2 -1,-0.3 -0.594 70.3 -33.6 71.2-110.7 37.6 60.0 73.7 109 109 A S > + 0 0 0 -2,-0.8 4,-1.9 28,-0.6 3,-0.3 -0.573 56.2 171.8-148.8 81.4 39.0 61.0 77.1 110 110 A P H > S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.903 83.4 61.3 -54.9 -39.7 42.6 62.3 77.1 111 111 A R H > S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.914 109.8 36.7 -54.5 -50.0 42.0 63.1 80.8 112 112 A F H > S+ 0 0 42 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.714 111.6 58.9 -79.8 -19.7 41.4 59.5 81.9 113 113 A Q H X S+ 0 0 7 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.912 112.5 42.1 -70.3 -39.4 44.0 58.1 79.5 114 114 A V H X S+ 0 0 4 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.899 109.8 58.0 -71.0 -40.6 46.5 60.2 81.3 115 115 A F H X S+ 0 0 93 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.888 106.1 49.2 -55.9 -43.3 45.0 59.4 84.7 116 116 A G H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.899 111.8 48.2 -65.3 -40.5 45.6 55.7 84.1 117 117 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.920 114.7 45.2 -65.8 -44.7 49.2 56.3 83.1 118 118 A D H < S+ 0 0 58 -4,-2.8 4,-0.3 2,-0.2 -2,-0.2 0.939 114.3 48.9 -63.8 -48.0 49.9 58.5 86.1 119 119 A A H >< S+ 0 0 15 -4,-2.8 3,-1.7 -5,-0.2 6,-0.7 0.939 110.4 51.0 -56.3 -50.4 48.2 56.1 88.5 120 120 A M H 3< S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.852 107.4 52.4 -57.2 -39.5 50.1 53.1 87.1 121 121 A R T 3< S+ 0 0 88 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.439 100.5 89.9 -79.2 2.7 53.5 54.9 87.5 122 122 A G S X S- 0 0 12 -3,-1.7 3,-1.0 -4,-0.3 1221,-0.2 -0.362 98.6 -90.9 -93.9 177.8 52.6 55.6 91.1 123 123 A P T 3 S+ 0 0 42 0, 0.0 1224,-0.1 0, 0.0 1219,-0.1 0.654 123.4 50.4 -59.5 -20.3 53.2 53.7 94.4 124 124 A R T > S+ 0 0 57 -5,-0.3 3,-1.5 1,-0.2 4,-0.2 0.651 81.4 179.8 -96.5 -19.1 49.8 51.9 94.0 125 125 A G T X> + 0 0 14 -3,-1.0 4,-1.4 -6,-0.7 3,-1.2 -0.238 68.8 5.1 56.5-135.1 50.1 50.7 90.5 126 126 A L H 3> S+ 0 0 27 324,-0.3 4,-1.7 1,-0.3 -1,-0.3 0.776 128.2 61.6 -51.5 -33.4 47.1 48.7 89.2 127 127 A K H <4 S+ 0 0 154 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.879 104.6 46.9 -64.7 -36.8 45.1 49.4 92.4 128 128 A A H <4 S+ 0 0 34 -3,-1.2 -1,-0.2 -9,-0.2 -2,-0.2 0.833 106.3 60.0 -73.4 -33.0 45.2 53.2 91.8 129 129 A V H < S- 0 0 4 -4,-1.4 3,-0.3 -10,-0.1 -2,-0.2 0.936 93.8-161.9 -60.5 -47.6 44.2 52.7 88.1 130 130 A G < - 0 0 20 -4,-1.7 3,-0.5 1,-0.2 480,-0.1 -0.021 31.0 -83.4 84.4 166.6 40.9 51.1 89.1 131 131 A P S S+ 0 0 66 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.350 114.5 65.5 -90.7 5.8 38.6 48.9 87.0 132 132 A Y S > S+ 0 0 80 -3,-0.3 4,-0.8 1,-0.1 5,-0.1 0.414 70.2 90.6-109.6 3.2 36.7 51.7 85.3 133 133 A V H > S+ 0 0 6 -3,-0.5 4,-2.8 1,-0.2 3,-0.3 0.860 78.7 61.9 -69.4 -34.0 39.3 53.5 83.2 134 134 A V H > S+ 0 0 6 473,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.950 105.6 44.2 -57.4 -53.5 38.7 51.4 80.0 135 135 A T H 4 S+ 0 0 4 1,-0.2 -66,-0.2 2,-0.2 -1,-0.2 0.726 117.2 48.6 -64.9 -20.2 35.1 52.5 79.4 136 136 A K H < S+ 0 0 39 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.844 118.8 36.9 -86.1 -35.3 36.1 56.1 80.2 137 137 A A H < S+ 0 0 2 -4,-2.8 -28,-0.6 -25,-0.2 -2,-0.2 0.713 89.0 102.7 -91.5 -24.0 39.1 56.1 77.9 138 138 A M S >< S- 0 0 16 -4,-2.7 3,-1.8 -5,-0.2 376,-0.2 -0.291 77.2-122.3 -63.4 147.4 38.0 54.1 74.9 139 139 A A T 3 S+ 0 0 4 374,-2.0 -34,-0.4 1,-0.3 3,-0.4 0.759 111.1 56.2 -60.2 -26.0 37.0 56.1 71.8 140 140 A S T >> S+ 0 0 1 373,-0.5 4,-2.7 1,-0.2 3,-0.6 0.254 73.3 112.6 -92.7 14.4 33.6 54.4 71.8 141 141 A G H <> + 0 0 3 -3,-1.8 4,-2.9 1,-0.2 5,-0.2 0.881 68.5 58.1 -51.9 -47.4 32.8 55.6 75.3 142 142 A V H 34 S+ 0 0 2 -3,-0.4 4,-0.3 1,-0.2 -1,-0.2 0.867 115.7 34.9 -55.2 -39.8 30.1 58.0 74.4 143 143 A S H X> S+ 0 0 2 -3,-0.6 4,-2.6 -40,-0.3 3,-0.5 0.877 117.4 52.1 -84.0 -37.9 28.0 55.3 72.7 144 144 A A H 3X S+ 0 0 2 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.911 110.4 48.3 -64.2 -42.9 28.9 52.4 75.1 145 145 A C H 3< S+ 0 0 3 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.583 118.7 39.1 -75.6 -11.5 28.0 54.4 78.2 146 146 A L H <> S+ 0 0 0 -3,-0.5 4,-2.0 -4,-0.3 -2,-0.2 0.827 111.3 53.3-102.0 -46.9 24.6 55.5 76.8 147 147 A A H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 -2,-0.2 0.813 107.9 53.1 -59.3 -33.6 23.4 52.5 75.0 148 148 A T T ><5S+ 0 0 9 -4,-1.3 3,-1.3 -5,-0.3 -1,-0.2 0.969 113.4 37.2 -71.4 -54.2 23.9 50.2 78.0 149 149 A P T 345S+ 0 0 38 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.834 115.5 54.8 -69.7 -26.7 21.9 52.1 80.7 150 150 A F T 3<5S- 0 0 15 -4,-2.0 -2,-0.2 2,-0.0 -55,-0.1 0.298 110.0-122.1 -87.4 12.1 19.2 53.2 78.2 151 151 A K T < 5 - 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0 0 6 -3,-0.9 2,-0.2 -4,-0.4 68,-0.2 -0.521 53.4-159.7 -94.3 149.7 50.0 81.5 105.8 883 69 C S > - 0 0 3 66,-0.2 4,-2.3 -2,-0.2 3,-0.4 -0.551 49.6 -89.3-104.9 174.3 50.2 77.7 105.7 884 70 C D H > S+ 0 0 40 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.872 126.3 57.6 -57.1 -40.0 47.7 75.6 107.6 885 71 C A H > S+ 0 0 1 37,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 111.2 44.2 -57.8 -40.0 49.8 75.5 110.8 886 72 C S H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.887 111.9 52.8 -71.4 -38.5 49.7 79.2 110.8 887 73 C I H X S+ 0 0 13 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.956 111.5 45.4 -61.0 -50.6 46.0 79.3 110.0 888 74 C Y H X S+ 0 0 26 -4,-3.1 4,-1.9 1,-0.2 161,-0.2 0.911 114.9 47.5 -59.5 -44.3 45.2 77.0 112.9 889 75 C A H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.877 111.0 52.6 -65.0 -37.7 47.4 78.9 115.3 890 76 C F H X S+ 0 0 17 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.925 109.2 47.5 -63.8 -47.3 45.9 82.2 114.2 891 77 C L H X S+ 0 0 13 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.869 111.9 51.7 -63.3 -35.2 42.3 81.0 114.8 892 78 C S H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.885 108.6 51.0 -69.3 -36.9 43.4 79.8 118.2 893 79 C M H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.878 105.0 55.7 -68.8 -36.9 44.9 83.1 119.0 894 80 C E H X S+ 0 0 91 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.906 111.0 45.7 -60.0 -41.3 41.7 85.0 118.1 895 81 C Q H X S+ 0 0 52 -4,-1.5 4,-3.3 2,-0.2 -72,-0.3 0.905 111.0 52.7 -67.1 -42.6 39.9 82.8 120.5 896 82 C A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.884 107.5 50.9 -61.6 -41.8 42.5 83.3 123.2 897 83 C I H X>S+ 0 0 15 -4,-2.6 5,-2.0 2,-0.2 4,-0.8 0.926 114.8 43.4 -62.8 -45.3 42.4 87.1 122.9 898 84 C A H ><5S+ 0 0 77 -4,-1.7 3,-0.9 -5,-0.2 -2,-0.2 0.950 115.1 48.8 -64.9 -48.2 38.7 87.1 123.3 899 85 C D H 3<5S+ 0 0 51 -4,-3.3 167,-0.2 1,-0.3 -2,-0.2 0.844 111.3 50.3 -60.7 -33.5 38.8 84.5 126.1 900 86 C A H 3<5S- 0 0 7 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.656 107.0-130.1 -79.2 -15.0 41.5 86.6 127.9 901 87 C G T <<5 + 0 0 58 -3,-0.9 2,-0.4 -4,-0.8 -3,-0.2 0.844 51.0 156.9 69.5 33.7 39.3 89.7 127.5 902 88 C L < - 0 0 15 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.784 31.2-147.2 -95.2 132.6 42.2 91.7 126.1 903 89 C S >> - 0 0 53 -2,-0.4 3,-2.7 1,-0.1 4,-0.7 -0.667 28.4-105.6 -96.1 155.7 41.5 94.7 124.0 904 90 C P H >> S+ 0 0 58 0, 0.0 4,-2.6 0, 0.0 3,-1.1 0.851 119.0 57.0 -44.7 -47.9 43.7 95.9 121.0 905 91 C E H 34 S+ 0 0 155 1,-0.2 -3,-0.0 2,-0.2 -2,-0.0 0.493 104.4 58.9 -68.4 3.9 45.2 98.8 122.9 906 92 C A H <4 S+ 0 0 35 -3,-2.7 -1,-0.2 4,-0.0 3,-0.0 0.694 122.3 13.4-102.9 -24.7 46.3 96.3 125.5 907 93 C Y H X< S+ 0 0 14 -3,-1.1 3,-0.7 -4,-0.7 60,-0.4 0.517 103.7 93.1-127.7 -12.1 48.5 93.9 123.4 908 94 C Q T 3< S+ 0 0 46 -4,-2.6 58,-0.2 -5,-0.3 57,-0.2 -0.676 101.0 0.6 -88.3 138.2 49.1 95.7 120.1 909 95 C N T 3 S+ 0 0 93 56,-3.0 -1,-0.3 -2,-0.3 57,-0.1 0.881 96.7 138.2 55.2 40.5 52.2 97.9 119.8 910 96 C N X - 0 0 43 -3,-0.7 3,-2.0 55,-0.5 57,-0.7 -0.958 47.9-156.4-123.2 115.0 53.2 96.9 123.3 911 97 C P T 3 S+ 0 0 65 0, 0.0 58,-0.2 0, 0.0 -1,-0.1 0.652 95.0 60.1 -60.0 -18.2 56.9 96.0 124.0 912 98 C R T 3 S+ 0 0 84 56,-0.1 85,-2.9 84,-0.1 86,-2.0 0.313 93.5 77.5 -93.7 7.1 55.9 94.0 127.0 913 99 C V E < +l 998 0Q 2 -3,-2.0 55,-2.2 83,-0.2 54,-0.6 -0.971 59.9 163.8-122.4 121.2 53.7 91.6 124.9 914 100 C G E -l 999 0Q 0 84,-2.4 86,-2.5 -2,-0.5 2,-0.3 -0.604 27.3-131.4-125.8-173.3 55.3 88.9 122.9 915 101 C L E +lm1000 970Q 0 54,-3.2 56,-1.5 84,-0.3 2,-0.4 -0.980 15.0 177.8-147.0 129.0 54.6 85.7 121.0 916 102 C I E +lm1001 971Q 0 84,-2.6 86,-1.3 -2,-0.3 2,-0.3 -0.899 27.2 138.1-133.8 103.2 56.3 82.3 121.1 917 103 C A E +l 1002 0Q 0 54,-1.0 40,-0.3 -2,-0.4 86,-0.3 -0.997 17.1 164.2-146.8 142.9 54.7 79.6 118.9 918 104 C G E -l 1003 0Q 0 84,-1.2 86,-1.6 -2,-0.3 2,-0.3 -0.805 23.3-131.8-145.3-173.4 56.0 77.0 116.6 919 105 C S - 0 0 3 34,-0.5 57,-0.2 -2,-0.2 86,-0.2 -0.896 22.9-121.9-138.8 168.3 55.3 73.8 114.6 920 106 C G S S+ 0 0 9 84,-0.4 440,-2.0 -2,-0.3 441,-0.5 0.870 104.8 12.4 -82.8 -38.2 57.1 70.5 114.2 921 107 C G S S- 0 0 9 1,-0.3 2,-0.6 438,-0.2 -1,-0.1 0.359 83.3-141.3-123.5 8.9 57.5 70.5 110.5 922 108 C G S S- 0 0 5 31,-0.2 84,-0.4 82,-0.2 -1,-0.3 -0.570 70.8 -33.2 68.6-114.4 56.8 73.9 109.2 923 109 C S > + 0 0 0 28,-0.7 4,-2.0 -2,-0.6 5,-0.2 -0.656 56.3 170.9-143.4 85.8 55.0 73.2 105.9 924 110 C P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.909 83.8 61.7 -59.5 -36.8 56.0 70.1 104.0 925 111 C R H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.936 109.9 36.1 -54.7 -51.9 53.0 70.7 101.8 926 112 C F H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.762 112.8 58.0 -76.9 -22.5 54.1 74.1 100.5 927 113 C Q H X S+ 0 0 4 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.924 112.4 42.3 -70.1 -40.5 57.8 73.2 100.4 928 114 C V H X S+ 0 0 2 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.899 110.9 55.6 -70.3 -40.5 56.8 70.3 98.1 929 115 C F H X S+ 0 0 90 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.908 107.3 52.0 -57.2 -42.1 54.4 72.6 96.1 930 116 C G H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.923 111.8 43.0 -61.5 -47.4 57.3 75.0 95.6 931 117 C A H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.854 115.4 50.7 -67.7 -35.9 59.7 72.3 94.2 932 118 C D H < S+ 0 0 56 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.906 112.5 45.4 -67.3 -44.1 56.9 70.8 92.1 933 119 C A H >< S+ 0 0 15 -4,-2.7 3,-1.6 -5,-0.2 5,-0.4 0.901 110.4 54.2 -66.0 -42.5 55.9 74.2 90.6 934 120 C M H 3< S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.831 107.2 51.3 -61.1 -34.9 59.5 75.1 89.9 935 121 C R T 3< S+ 0 0 83 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.354 99.8 90.1 -85.9 6.1 60.0 71.9 88.0 936 122 C G S X S- 0 0 11 -3,-1.6 3,-1.3 -406,-0.1 -407,-0.1 -0.307 99.5 -84.3 -94.8-178.0 57.0 72.6 85.9 937 123 C P T 3 S+ 0 0 40 0, 0.0 -404,-0.1 0, 0.0 -408,-0.1 0.512 125.5 44.1 -63.4 -6.3 56.4 74.5 82.5 938 124 C R T >> S- 0 0 43 -5,-0.4 3,-1.5 1,-0.2 4,-0.7 0.427 79.5-178.2-123.0 3.0 56.2 77.8 84.4 939 125 C G H X> S+ 0 0 15 -3,-1.3 4,-1.3 -6,-0.4 3,-1.3 0.019 71.6 9.8 38.9-127.9 59.1 77.7 86.9 940 126 C L H 3> S+ 0 0 28 324,-0.3 4,-1.7 1,-0.3 -1,-0.3 0.798 126.2 60.4 -50.1 -38.0 59.3 80.8 89.1 941 127 C K H <4 S+ 0 0 148 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.874 106.5 47.7 -60.8 -36.2 55.9 82.2 87.9 942 128 C A H << S+ 0 0 27 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.808 105.5 58.5 -74.9 -31.3 54.2 79.0 89.2 943 129 C V H < S- 0 0 4 -4,-1.3 3,-0.3 -5,-0.2 -2,-0.2 0.926 92.5-161.4 -65.8 -43.6 56.0 79.2 92.6 944 130 C G < - 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