==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-FEB-03 1H4F . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.G.OLSEN,P.VON WETTSTEIN-KNOWLES,K.A.MCGUIRE,A.HENRIKSEN . 1622 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1166 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 212 13.1 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 . 2 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 . 121 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 177 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 447 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 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 16 6 6 4 1 3 5 7 0 0 4 8 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 15 6 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 9 5 0 0 0 3 13 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 . 7 2 1 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 0 170 0, 0.0 177,-0.1 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0-176.3 12.0 53.2 73.9 2 2 A K - 0 0 98 176,-0.7 2,-0.3 175,-0.3 176,-0.0 -0.299 360.0-137.0 -71.8 146.9 14.6 55.3 75.8 3 3 A R - 0 0 80 174,-0.1 240,-2.5 -2,-0.1 2,-0.4 -0.784 15.1-143.1-102.2 149.3 16.8 53.9 78.6 4 4 A A E -A 242 0A 2 253,-0.5 253,-2.8 -2,-0.3 2,-0.3 -0.946 16.7-178.2-119.8 137.6 17.4 55.8 81.8 5 5 A V E -AB 241 256A 0 236,-2.3 236,-3.0 -2,-0.4 2,-0.6 -0.791 29.4-118.0-125.3 164.4 20.6 56.0 83.9 6 6 A I E +AB 240 255A 4 249,-2.8 248,-2.6 -2,-0.3 249,-1.0 -0.942 31.6 170.7-105.5 126.1 21.6 57.7 87.1 7 7 A T E + 0 0 0 232,-1.9 245,-0.5 -2,-0.6 2,-0.3 0.256 62.6 14.2-119.8 6.1 24.4 60.2 86.5 8 8 A G E - 0 0 0 231,-0.5 231,-2.5 243,-0.1 2,-0.3 -0.925 58.6-164.9-174.1 154.2 24.6 61.9 89.9 9 9 A L E -A 238 0A 1 -2,-0.3 2,-0.3 72,-0.3 229,-0.2 -0.982 4.2-175.5-149.5 156.0 23.5 61.6 93.5 10 10 A G E +A 237 0A 0 227,-2.1 227,-2.1 -2,-0.3 2,-0.3 -0.991 10.0 178.5-148.1 146.8 23.1 63.6 96.6 11 11 A I E -A 236 0A 0 -2,-0.3 2,-0.4 225,-0.2 225,-0.2 -0.995 23.2-172.4-157.5 143.5 22.1 62.7 100.2 12 12 A V E +A 235 0A 1 223,-2.2 223,-2.8 -2,-0.3 2,-0.3 -0.934 38.7 152.2-133.2 106.2 21.6 64.1 103.7 13 13 A S B > -K 16 0B 0 3,-3.0 3,-1.9 -2,-0.4 40,-0.5 -0.806 61.5 -94.4-133.8 172.8 20.9 61.2 106.1 14 14 A S T 3 S+ 0 0 6 219,-0.3 37,-0.2 1,-0.3 3,-0.1 0.710 125.3 44.8 -60.0 -20.9 21.2 60.0 109.7 15 15 A I T 3 S- 0 0 8 1,-0.3 10,-0.4 35,-0.1 -1,-0.3 0.246 126.8 -6.6-109.6 15.3 24.4 58.3 108.7 16 16 A G B < -K 13 0B 8 -3,-1.9 -3,-3.0 9,-0.1 -1,-0.3 -0.643 48.6-129.6 159.4 141.3 26.1 61.1 106.7 17 17 A N S S+ 0 0 31 -5,-0.2 2,-0.3 -2,-0.2 -6,-0.1 0.324 94.0 7.8 -88.9 7.4 25.7 64.5 105.1 18 18 A N S > S- 0 0 44 -8,-0.1 4,-2.0 -5,-0.1 5,-0.2 -0.939 95.1 -81.0-170.4 174.1 26.9 63.5 101.6 19 19 A Q H > S+ 0 0 25 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.727 123.4 55.1 -64.9 -24.0 27.8 60.3 99.8 20 20 A Q H > S+ 0 0 128 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.941 110.7 43.2 -73.5 -47.0 31.3 60.1 101.3 21 21 A E H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.852 117.1 48.7 -64.0 -36.2 30.1 60.2 104.9 22 22 A V H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.909 109.0 52.0 -70.8 -42.3 27.4 57.8 104.0 23 23 A L H X S+ 0 0 38 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.952 110.6 49.1 -58.3 -47.1 29.8 55.5 102.3 24 24 A A H X S+ 0 0 50 -4,-2.4 4,-2.1 1,-0.2 6,-0.2 0.935 112.3 48.1 -57.2 -48.8 32.0 55.5 105.4 25 25 A S H X>S+ 0 0 11 -4,-2.2 5,-2.3 -10,-0.4 4,-1.2 0.924 110.6 50.7 -59.2 -46.7 29.0 54.8 107.6 26 26 A L H <5S+ 0 0 0 -4,-2.8 3,-0.2 1,-0.2 -1,-0.2 0.891 110.8 48.0 -59.4 -43.4 27.8 51.9 105.5 27 27 A R H <5S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.893 117.9 40.7 -68.2 -38.8 31.2 50.2 105.3 28 28 A E H <5S- 0 0 119 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.536 107.1-124.0 -86.1 -4.2 31.7 50.4 109.1 29 29 A G T <5 + 0 0 16 -4,-1.2 -3,-0.2 -3,-0.2 2,-0.2 0.839 46.6 177.3 65.2 32.3 28.0 49.6 109.9 30 30 A R < - 0 0 138 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.466 23.4-131.5 -71.8 137.9 27.8 52.9 111.8 31 31 A S - 0 0 17 -2,-0.2 300,-0.2 1,-0.1 299,-0.1 -0.705 12.1-161.8 -92.2 141.1 24.4 53.7 113.3 32 32 A G + 0 0 4 298,-3.6 19,-0.6 -2,-0.3 2,-0.3 0.357 55.4 114.7-100.8 7.8 22.8 57.1 112.9 33 33 A I E +L 50 0C 2 297,-0.4 2,-0.3 17,-0.2 17,-0.2 -0.596 37.6 168.5 -82.1 132.4 20.3 56.6 115.8 34 34 A T E -L 49 0C 48 15,-2.6 15,-2.0 -2,-0.3 2,-0.3 -0.862 41.1 -86.5-134.8 171.7 20.5 58.8 118.8 35 35 A F E -L 48 0C 74 -2,-0.3 2,-0.6 13,-0.2 13,-0.3 -0.587 39.4-148.5 -77.5 138.9 18.5 59.6 121.9 36 36 A S > - 0 0 2 11,-3.4 4,-2.1 -2,-0.3 5,-0.2 -0.900 18.7-174.3-118.2 105.7 16.0 62.4 121.3 37 37 A Q H > S+ 0 0 62 -2,-0.6 4,-3.4 1,-0.2 5,-0.2 0.877 89.1 60.7 -60.0 -39.3 15.2 64.7 124.3 38 38 A E H > S+ 0 0 59 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.917 105.6 45.1 -56.3 -45.5 12.6 66.4 122.0 39 39 A L H >>S+ 0 0 0 2,-0.2 5,-1.8 1,-0.2 4,-0.8 0.940 114.6 48.4 -67.3 -41.0 10.7 63.1 121.6 40 40 A K H ><5S+ 0 0 65 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.936 111.9 49.2 -63.0 -45.6 10.9 62.3 125.3 41 41 A D H 3<5S+ 0 0 115 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.791 102.9 61.5 -62.6 -31.3 9.7 65.8 126.3 42 42 A S H 3<5S- 0 0 23 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.736 120.1-109.5 -70.1 -20.1 6.8 65.6 123.8 43 43 A G T <<5 + 0 0 45 -3,-1.1 489,-0.3 -4,-0.8 -3,-0.2 0.484 67.7 147.7 105.8 6.5 5.5 62.6 125.9 44 44 A M < - 0 0 6 -5,-1.8 -1,-0.2 1,-0.1 155,-0.1 -0.170 49.8-139.3 -70.6 169.5 6.3 60.0 123.4 45 45 A R S S+ 0 0 124 154,-0.1 2,-0.5 162,-0.0 167,-0.1 0.689 89.1 72.7 -97.2 -32.4 7.2 56.4 124.3 46 46 A S + 0 0 0 1,-0.1 163,-0.2 -7,-0.1 -2,-0.1 -0.769 58.7 179.6 -84.2 127.8 9.9 56.1 121.6 47 47 A H + 0 0 29 -2,-0.5 -11,-3.4 161,-0.2 2,-0.3 0.159 51.1 79.9-116.6 18.9 12.8 58.3 122.6 48 48 A V E +L 35 0C 0 160,-0.3 183,-0.5 -13,-0.3 2,-0.3 -0.917 47.1 167.6-129.4 154.8 15.1 57.7 119.6 49 49 A W E -Lm 34 231C 30 -15,-2.0 -15,-2.6 -2,-0.3 2,-1.1 -0.981 42.6-112.7-158.6 165.3 15.5 58.8 116.0 50 50 A G E -Lm 33 232C 0 181,-2.4 183,-2.1 -2,-0.3 -17,-0.2 -0.788 51.1-173.8-101.5 81.9 17.8 58.9 112.9 51 51 A N - 0 0 37 -2,-1.1 2,-0.6 -19,-0.6 -38,-0.1 -0.479 29.1-116.6 -82.7 151.9 18.5 62.6 113.0 52 52 A V - 0 0 16 -2,-0.2 2,-1.1 2,-0.1 -38,-0.2 -0.780 24.7-151.2 -84.2 121.9 20.4 64.6 110.4 53 53 A K + 0 0 84 -2,-0.6 2,-0.3 -40,-0.5 -36,-0.1 -0.758 51.5 113.5 -99.0 88.5 23.4 65.9 112.2 54 54 A L - 0 0 65 -2,-1.1 2,-1.1 -42,-0.1 -2,-0.1 -0.946 63.3-135.6-158.6 133.4 24.1 69.1 110.2 55 55 A D - 0 0 119 -2,-0.3 -2,-0.1 1,-0.1 0, 0.0 -0.804 24.5-175.4 -88.9 100.4 23.9 72.8 111.0 56 56 A T > + 0 0 39 -2,-1.1 3,-2.2 2,-0.1 4,-0.4 0.472 33.4 135.2 -80.2 4.1 22.1 73.9 107.9 57 57 A T T 3 S- 0 0 117 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 -0.222 79.1 -0.5 -56.9 132.4 22.4 77.6 108.9 58 58 A G T 3 S+ 0 0 75 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.594 98.2 113.4 65.6 10.5 23.5 79.8 106.0 59 59 A L S < S+ 0 0 74 -3,-2.2 2,-0.4 1,-0.2 -2,-0.1 0.684 77.5 41.8 -84.1 -17.3 23.7 76.8 103.6 60 60 A I S S- 0 0 13 -4,-0.4 -2,-0.2 2,-0.0 -1,-0.2 -0.994 99.8 -97.9-131.9 135.1 20.7 78.2 101.6 61 61 A D >> - 0 0 128 -2,-0.4 4,-2.8 1,-0.1 3,-2.1 -0.248 32.9-124.0 -53.8 133.0 20.1 81.8 100.5 62 62 A R H 3> S+ 0 0 193 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.800 110.0 55.3 -47.3 -40.7 17.6 83.5 102.9 63 63 A K H 34 S+ 0 0 127 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.724 115.7 39.3 -68.9 -23.0 15.2 84.4 100.1 64 64 A V H X4 S+ 0 0 33 -3,-2.1 3,-1.4 2,-0.1 -2,-0.2 0.884 116.2 47.5 -88.5 -50.9 15.1 80.7 99.1 65 65 A V H >< S+ 0 0 45 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.712 92.2 78.7 -68.0 -20.3 15.0 79.1 102.5 66 66 A R T 3< S+ 0 0 98 -4,-1.8 -1,-0.3 -5,-0.3 -3,-0.1 0.773 96.7 48.4 -59.1 -24.4 12.3 81.4 103.8 67 67 A F T < S+ 0 0 28 -3,-1.4 2,-0.3 -4,-0.1 -1,-0.3 0.526 99.1 101.6 -91.1 -5.4 9.8 79.3 101.9 68 68 A M < - 0 0 7 -3,-1.8 68,-0.2 -4,-0.2 2,-0.2 -0.651 51.0-161.8-102.5 144.3 11.1 75.9 103.2 69 69 A S > - 0 0 2 66,-0.3 4,-2.0 -2,-0.3 3,-0.5 -0.439 50.8 -93.6 -95.7 172.1 10.3 73.3 105.7 70 70 A D H > S+ 0 0 43 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.879 124.4 60.9 -61.5 -35.1 13.0 70.9 106.7 71 71 A A H > S+ 0 0 0 37,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 109.1 43.8 -55.6 -41.7 12.0 68.3 104.1 72 72 A S H > S+ 0 0 0 -3,-0.5 4,-3.3 2,-0.2 -1,-0.2 0.869 110.8 54.5 -70.4 -39.6 12.7 70.9 101.4 73 73 A I H X S+ 0 0 14 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.942 111.8 44.5 -59.3 -48.1 16.0 72.0 103.0 74 74 A Y H X S+ 0 0 26 -4,-2.8 4,-2.2 2,-0.2 161,-0.2 0.888 116.2 45.2 -63.5 -44.6 17.2 68.4 103.0 75 75 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.890 112.0 53.5 -66.1 -42.5 16.1 67.7 99.5 76 76 A F H X S+ 0 0 13 -4,-3.3 4,-2.4 2,-0.2 -2,-0.2 0.955 110.5 45.6 -57.3 -53.2 17.5 71.1 98.3 77 77 A L H X S+ 0 0 11 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.937 113.3 51.1 -58.4 -42.9 21.0 70.3 99.8 78 78 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.878 109.4 49.7 -60.0 -39.2 20.8 66.8 98.3 79 79 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.884 106.9 54.9 -68.4 -39.3 19.9 68.2 94.8 80 80 A E H X S+ 0 0 86 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.940 112.1 45.4 -57.7 -44.9 22.9 70.7 95.1 81 81 A Q H X S+ 0 0 49 -4,-2.2 4,-2.5 -5,-0.2 -72,-0.3 0.896 112.6 49.7 -66.3 -41.2 25.1 67.7 95.7 82 82 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.882 108.1 53.0 -66.5 -39.4 23.6 65.7 92.9 83 83 A I H X>S+ 0 0 14 -4,-2.7 5,-2.4 2,-0.2 4,-0.6 0.947 114.4 42.2 -59.3 -48.3 23.9 68.5 90.4 84 84 A A H ><5S+ 0 0 74 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.934 113.8 51.5 -63.1 -46.2 27.7 68.9 91.1 85 85 A D H 3<5S+ 0 0 51 -4,-2.5 -1,-0.2 1,-0.3 167,-0.2 0.760 108.2 52.7 -63.1 -27.6 28.2 65.1 91.2 86 86 A A H 3<5S- 0 0 4 -4,-1.6 -1,-0.3 -5,-0.2 166,-0.2 0.650 112.4-122.9 -83.4 -14.9 26.5 64.9 87.9 87 87 A G T <<5 + 0 0 59 -3,-1.4 2,-0.4 -4,-0.6 -3,-0.2 0.803 59.0 152.3 76.7 31.7 28.9 67.5 86.5 88 88 A L < - 0 0 13 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.787 28.4-162.8-100.1 138.4 26.0 69.8 85.5 89 89 A S >> - 0 0 76 -2,-0.4 3,-2.7 1,-0.1 4,-1.3 -0.858 36.1-103.2-118.0 155.8 26.1 73.5 85.2 90 90 A P H 3> S+ 0 0 68 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.805 118.3 63.0 -41.3 -44.2 23.2 76.1 85.1 91 91 A E H 34 S+ 0 0 194 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.811 109.6 40.6 -54.8 -31.7 23.6 76.5 81.3 92 92 A A H <4 S+ 0 0 49 -3,-2.7 -1,-0.2 1,-0.1 -4,-0.0 0.831 128.7 22.3 -89.1 -33.7 22.7 72.8 80.9 93 93 A Y H >< S+ 0 0 12 -4,-1.3 3,-0.6 4,-0.0 60,-0.3 0.702 100.8 84.7-113.4 -18.3 19.9 72.3 83.3 94 94 A Q T 3< S+ 0 0 42 -4,-2.5 58,-0.2 -5,-0.3 57,-0.2 -0.549 99.2 7.7 -86.8 151.2 18.3 75.6 84.1 95 95 A N T 3 S+ 0 0 91 56,-3.0 -1,-0.2 1,-0.2 57,-0.1 0.844 95.2 133.8 49.9 41.6 15.5 77.2 81.9 96 96 A N B X -o 152 0D 46 -3,-0.6 3,-2.0 55,-0.5 57,-0.7 -0.955 52.2-153.4-125.9 110.9 15.4 74.0 79.9 97 97 A P T 3 S+ 0 0 59 0, 0.0 58,-0.2 0, 0.0 -1,-0.1 0.710 95.0 61.0 -56.3 -19.2 12.0 72.5 79.1 98 98 A R T 3 S+ 0 0 87 56,-0.1 85,-2.9 84,-0.1 86,-1.9 0.278 90.9 77.8 -94.5 13.9 13.6 69.0 78.9 99 99 A V E < +c 184 0A 2 -3,-2.0 55,-2.5 83,-0.2 54,-0.6 -0.987 61.8 171.2-124.0 124.7 14.8 69.0 82.5 100 100 A G E -c 185 0A 0 84,-2.8 86,-2.6 -2,-0.4 2,-0.3 -0.591 25.8-136.6-126.5-172.6 12.4 68.2 85.3 101 101 A L E +cd 186 156A 0 54,-2.3 56,-1.5 84,-0.3 2,-0.5 -0.953 14.8 175.1-153.1 122.0 12.0 67.5 89.0 102 102 A I E +cd 187 157A 0 84,-2.5 86,-1.5 -2,-0.3 2,-0.3 -0.949 27.9 142.0-129.7 108.2 9.8 64.9 90.8 103 103 A A E +c 188 0A 0 54,-1.4 40,-0.4 -2,-0.5 86,-0.3 -0.972 17.6 167.0-151.8 134.0 10.4 64.9 94.5 104 104 A G E -c 189 0A 0 84,-1.7 86,-1.8 -2,-0.3 2,-0.3 -0.699 25.9-130.0-139.7-174.3 8.2 64.5 97.5 105 105 A S - 0 0 2 34,-0.5 57,-0.2 84,-0.2 86,-0.2 -0.917 20.9-131.9-132.8 161.2 7.8 63.9 101.2 106 106 A G S S+ 0 0 6 -2,-0.3 439,-2.0 84,-0.3 440,-0.5 0.827 104.6 19.2 -82.4 -31.6 5.5 61.4 103.0 107 107 A G S S- 0 0 5 1,-0.3 2,-0.5 437,-0.2 -1,-0.1 0.428 84.8-143.9-120.0 1.2 4.1 64.0 105.5 108 108 A G - 0 0 6 31,-0.2 84,-0.4 1,-0.2 -1,-0.3 -0.616 68.8 -37.9 70.7-123.3 4.7 67.5 104.1 109 109 A S > + 0 0 0 -2,-0.5 4,-2.5 1,-0.1 5,-0.3 -0.680 56.7 171.3-139.1 87.5 5.4 69.5 107.2 110 110 A P H > S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.909 83.4 60.2 -61.6 -32.9 3.4 68.6 110.2 111 111 A R H > S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.937 111.3 36.2 -61.3 -47.1 5.7 71.0 112.1 112 112 A F H > S+ 0 0 40 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.815 113.3 56.4 -77.2 -27.0 4.8 74.0 110.1 113 113 A Q H X S+ 0 0 4 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.933 114.0 42.7 -66.5 -38.0 1.2 73.1 109.7 114 114 A V H X S+ 0 0 1 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.861 111.6 53.8 -72.8 -36.0 1.1 72.9 113.5 115 115 A F H X S+ 0 0 88 -4,-2.1 4,-3.0 -5,-0.3 5,-0.3 0.938 107.8 52.7 -63.5 -41.3 3.1 76.1 113.8 116 116 A G H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.951 112.8 41.8 -56.3 -53.1 0.6 77.8 111.6 117 117 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.860 114.9 50.5 -63.3 -42.5 -2.4 76.7 113.7 118 118 A D H < S+ 0 0 57 -4,-2.7 4,-0.4 2,-0.2 -1,-0.2 0.947 115.0 44.2 -61.0 -47.7 -0.6 77.5 117.0 119 119 A A H >< S+ 0 0 13 -4,-3.0 3,-1.4 -5,-0.2 6,-0.4 0.913 111.4 52.4 -66.1 -42.1 0.3 81.0 115.7 120 120 A M H 3< S+ 0 0 5 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.827 107.0 53.5 -63.4 -30.9 -3.1 81.6 114.3 121 121 A R T 3< S+ 0 0 110 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.496 96.5 87.9 -83.6 -2.1 -4.8 80.7 117.6 122 122 A G S X S- 0 0 31 -3,-1.4 3,-1.2 -4,-0.4 6,-0.1 -0.275 101.5 -90.4 -85.1 177.6 -2.5 83.2 119.4 123 123 A P T 3 S+ 0 0 142 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.735 123.0 53.6 -66.0 -18.0 -3.4 86.9 119.9 124 124 A R T >> S+ 0 0 155 -5,-0.3 3,-1.6 1,-0.2 4,-0.5 0.523 79.8 177.9 -94.2 -7.5 -1.6 88.0 116.7 125 125 A G H X> + 0 0 13 -3,-1.2 4,-1.7 -6,-0.4 3,-1.2 -0.088 68.1 9.1 47.2-128.1 -3.5 85.6 114.4 126 126 A L H 3> S+ 0 0 23 323,-0.4 4,-2.4 1,-0.3 -1,-0.3 0.819 127.7 59.5 -54.1 -36.5 -2.5 86.0 110.7 127 127 A K H <4 S+ 0 0 157 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.882 107.9 46.1 -62.4 -36.7 0.3 88.3 111.5 128 128 A A H << S+ 0 0 37 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.829 108.4 56.7 -74.4 -31.4 1.8 85.5 113.7 129 129 A V H < S- 0 0 4 -4,-1.7 3,-0.3 -10,-0.2 -2,-0.2 0.959 94.7-160.5 -65.2 -48.8 1.3 83.0 111.0 130 130 A G >< - 0 0 18 -4,-2.4 3,-0.6 1,-0.2 -2,-0.1 -0.056 32.0 -80.0 88.1 164.9 3.2 84.9 108.4 131 131 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.2 0, 0.0 479,-0.1 0.329 114.8 67.8 -88.5 10.5 3.1 84.6 104.5 132 132 A Y T 3> + 0 0 74 -3,-0.3 4,-0.9 1,-0.1 5,-0.1 0.421 67.5 90.0-111.4 3.6 5.4 81.5 104.3 133 133 A V H <> S+ 0 0 3 -3,-0.6 4,-3.0 1,-0.2 3,-0.5 0.901 78.5 62.5 -72.1 -34.9 3.4 78.7 105.9 134 134 A V H 4 S+ 0 0 3 472,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.922 107.4 43.0 -56.4 -42.7 1.7 77.4 102.7 135 135 A T H 4 S+ 0 0 4 1,-0.2 -66,-0.3 -3,-0.1 -1,-0.2 0.768 116.2 48.8 -75.7 -21.4 5.0 76.5 100.9 136 136 A K H < S+ 0 0 36 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.871 121.7 34.2 -80.8 -41.4 6.4 74.9 104.1 137 137 A A S < S+ 0 0 0 -4,-3.0 -29,-0.1 -25,-0.2 -68,-0.1 -0.251 87.7 97.6 -93.1-166.4 3.3 72.9 104.7 138 138 A M S > S- 0 0 12 375,-0.3 3,-1.9 -2,-0.1 375,-0.2 0.478 81.1-111.3 86.8 120.2 1.6 71.7 101.5 139 139 A A T 3 S+ 0 0 4 373,-1.8 -34,-0.5 1,-0.3 3,-0.3 0.701 115.4 53.1 -59.1 -23.3 2.2 68.3 100.3 140 140 A S T 3> S+ 0 0 0 372,-0.5 4,-3.1 1,-0.2 3,-0.3 0.223 72.0 116.0 -98.9 13.9 4.2 69.5 97.2 141 141 A G H <> S+ 0 0 3 -3,-1.9 4,-3.5 1,-0.2 5,-0.3 0.907 72.7 53.7 -47.6 -49.7 6.6 71.7 99.3 142 142 A V H > S+ 0 0 2 -3,-0.3 4,-0.7 -4,-0.2 -1,-0.2 0.906 114.7 39.2 -57.2 -43.3 9.6 69.6 98.3 143 143 A S H >> S+ 0 0 2 -40,-0.4 4,-2.6 -3,-0.3 3,-0.6 0.935 119.5 46.9 -74.8 -41.1 9.0 69.9 94.5 144 144 A A H 3X S+ 0 0 2 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.922 110.3 51.3 -65.9 -44.8 7.8 73.5 94.7 145 145 A C H 3< S+ 0 0 3 -4,-3.5 -1,-0.2 -5,-0.3 -2,-0.2 0.638 119.0 37.2 -67.3 -15.4 10.7 74.7 96.9 146 146 A L H S+ 0 0 0 -4,-2.6 5,-2.4 -5,-0.2 4,-0.2 0.899 107.3 50.5 -59.4 -41.8 11.9 73.7 91.1 148 148 A T T ><5S+ 0 0 13 -4,-1.4 3,-2.0 -5,-0.3 -1,-0.2 0.992 114.3 38.6 -64.3 -61.8 11.7 77.5 91.6 149 149 A P T 345S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.831 117.7 50.9 -63.9 -26.5 15.3 78.2 92.8 150 150 A F T 3<5S- 0 0 13 -4,-2.2 -2,-0.2 2,-0.0 -3,-0.1 0.410 107.7-127.1 -88.5 7.5 16.8 75.6 90.4 151 151 A K T < 5 + 0 0 82 -3,-2.0 -56,-3.0 -4,-0.2 -55,-0.5 0.877 40.2 179.3 54.0 42.7 14.9 77.2 87.5 152 152 A I B < +o 96 0D 0 -5,-2.4 -1,-0.2 -58,-0.2 -52,-0.1 -0.588 15.5 175.9 -76.5 134.3 13.4 73.9 86.4 153 153 A H + 0 0 16 -57,-0.7 517,-1.7 -54,-0.6 -53,-0.2 0.541 56.2 69.9-115.0 -13.3 11.2 74.2 83.4 154 154 A G S S- 0 0 3 -55,-2.5 -54,-0.2 -58,-0.4 -56,-0.1 0.318 103.7 -18.4 -82.2-144.6 10.2 70.6 82.6 155 155 A V - 0 0 2 -58,-0.2 -54,-2.3 514,-0.1 -1,-0.3 -0.275 63.5-176.4 -63.6 148.2 8.0 68.5 84.7 156 156 A N E +d 101 0A 0 513,-0.2 2,-0.3 646,-0.2 -54,-0.2 -0.770 26.3 101.0-153.9 102.6 7.4 69.6 88.3 157 157 A Y E -d 102 0A 0 -56,-1.5 -54,-1.4 -2,-0.3 2,-0.4 -0.963 54.0-112.3-166.4 175.5 5.4 67.8 91.0 158 158 A S E -P 566 0E 1 408,-2.6 408,-3.3 -2,-0.3 2,-0.4 -0.930 16.2-156.8-119.7 138.2 5.6 65.6 94.0 159 159 A I E -P 565 0E 0 -2,-0.4 2,-0.4 406,-0.3 406,-0.2 -0.899 13.4-169.9-108.2 146.3 4.5 62.0 94.3 160 160 A S E +P 564 0E 1 404,-2.5 404,-2.8 -2,-0.4 -54,-0.1 -0.996 26.2 151.0-137.7 137.7 3.7 60.8 97.8 161 161 A S > - 0 0 0 1,-0.5 3,-2.7 -2,-0.4 4,-0.2 -0.286 58.3-112.5-159.5 49.6 3.0 57.2 98.8 162 162 A A G > S+ 0 0 7 1,-0.3 3,-1.6 -56,-0.2 -1,-0.5 -0.213 96.7 3.8 52.0-126.1 4.2 57.1 102.4 163 163 A C G 3 S+ 0 0 9 1,-0.3 176,-0.3 2,-0.1 -1,-0.3 0.655 135.8 53.3 -66.3 -14.1 7.3 54.9 102.7 164 164 A A G X> S+ 0 0 0 -3,-2.7 4,-2.6 228,-0.2 3,-0.7 0.470 79.1 111.0 -96.5 -5.5 7.5 54.3 98.9 165 165 A T H <> S+ 0 0 0 -3,-1.6 4,-2.1 1,-0.3 3,-0.1 0.842 78.9 35.4 -32.7 -70.5 7.4 58.0 98.1 166 166 A S H 3> S+ 0 0 0 170,-1.1 4,-1.9 169,-0.3 -1,-0.3 0.737 114.1 59.2 -71.6 -18.1 10.8 58.8 96.7 167 167 A A H <> S+ 0 0 1 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.906 108.0 45.8 -72.8 -41.1 11.0 55.3 95.0 168 168 A H H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.897 109.0 56.9 -65.3 -36.1 7.8 56.2 93.0 169 169 A C H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.965 109.2 45.5 -57.8 -48.3 9.4 59.6 92.3 170 170 A I H X S+ 0 0 4 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.926 113.6 49.4 -59.7 -45.1 12.4 57.9 90.7 171 171 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.886 110.5 48.6 -64.2 -39.0 10.3 55.5 88.8 172 172 A N H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.852 108.8 55.3 -68.0 -34.5 8.0 58.2 87.4 173 173 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.3 -2,-0.2 0.899 106.8 51.0 -62.5 -42.1 11.2 60.1 86.5 174 174 A V H X S+ 0 0 3 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.926 107.3 52.9 -60.4 -44.1 12.2 57.0 84.5 175 175 A E H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 6,-0.2 0.865 104.7 55.7 -60.3 -37.0 8.8 56.9 82.8 176 176 A Q H <>S+ 0 0 4 -4,-1.9 5,-1.7 2,-0.2 6,-1.1 0.884 109.7 45.9 -62.5 -40.1 9.3 60.6 81.7 177 177 A I H ><5S+ 0 0 1 -4,-1.6 3,-1.6 4,-0.2 -175,-0.3 0.948 113.5 50.1 -67.7 -44.5 12.6 59.6 80.0 178 178 A Q H 3<5S+ 0 0 55 -4,-2.7 -176,-0.7 1,-0.3 -2,-0.2 0.853 107.1 53.5 -62.8 -37.1 10.9 56.5 78.4 179 179 A L T 3<5S- 0 0 48 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.525 114.0-120.9 -75.2 -3.2 8.1 58.6 77.1 180 180 A G T < 5S+ 0 0 25 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.594 81.2 118.2 73.9 12.2 10.7 60.9 75.5 181 181 A K S - 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0 0 12 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.814 28.0-154.0 -96.3 118.0 -17.6 48.6 86.3 495 89 B S >> - 0 0 45 -2,-0.6 4,-1.1 1,-0.1 3,-1.0 -0.434 33.3-104.8 -79.4 164.9 -18.6 45.7 88.4 496 90 B P H >> S+ 0 0 56 0, 0.0 4,-3.1 0, 0.0 3,-0.6 0.886 122.6 56.4 -56.1 -41.7 -16.3 44.6 91.2 497 91 B E H 34 S+ 0 0 152 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.775 103.2 56.9 -63.5 -24.1 -15.1 41.7 89.2 498 92 B A H <4 S+ 0 0 37 -3,-1.0 -1,-0.2 1,-0.1 -4,-0.0 0.796 126.2 11.2 -78.9 -27.5 -14.1 44.1 86.4 499 93 B Y H X< S+ 0 0 13 -4,-1.1 3,-0.7 -3,-0.6 60,-0.3 0.613 100.9 94.8-127.7 -14.9 -11.8 46.3 88.5 500 94 B Q T 3< S+ 0 0 50 -4,-3.1 58,-0.2 -5,-0.3 57,-0.2 -0.479 96.2 5.2 -82.1 153.5 -11.0 44.7 91.9 501 95 B N T 3 S+ 0 0 89 56,-2.7 -1,-0.2 1,-0.2 57,-0.1 0.840 95.1 137.0 42.8 44.9 -7.9 42.6 92.5 502 96 B N X - 0 0 39 -3,-0.7 3,-2.5 55,-0.5 57,-0.7 -0.954 49.4-155.0-127.5 109.2 -6.8 43.4 88.9 503 97 B P T 3 S+ 0 0 55 0, 0.0 58,-0.2 0, 0.0 -1,-0.1 0.649 96.4 59.1 -54.2 -21.2 -3.1 44.3 88.4 504 98 B R T 3 S+ 0 0 88 56,-0.1 85,-2.6 84,-0.1 86,-1.9 0.341 92.8 80.0 -92.0 7.4 -4.0 46.3 85.3 505 99 B V E < +v 590 0I 0 -3,-2.5 55,-2.8 83,-0.2 54,-0.6 -0.971 62.2 170.5-118.9 122.8 -6.3 48.6 87.3 506 100 B G E -v 591 0I 0 84,-2.7 86,-2.9 -2,-0.5 2,-0.3 -0.634 26.6-137.6-124.4-176.4 -4.8 51.5 89.2 507 101 B L E +vw 592 562I 0 54,-2.9 56,-1.5 84,-0.3 2,-0.5 -0.980 14.9 174.0-147.4 123.1 -5.4 54.6 91.2 508 102 B I E +vw 593 563I 0 84,-2.9 86,-1.5 -2,-0.3 2,-0.3 -0.943 28.1 138.3-131.6 109.6 -3.6 58.0 91.2 509 103 B A E +v 594 0I 0 54,-1.3 40,-0.4 -2,-0.5 86,-0.3 -0.988 18.2 162.8-152.2 143.9 -5.3 60.6 93.3 510 104 B G E -v 595 0I 0 84,-1.5 86,-1.6 -2,-0.3 2,-0.3 -0.795 26.6-122.2-150.5-173.5 -4.0 63.2 95.7 511 105 B S - 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