==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-AUG-05 2BYX . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.G.OLSEN,P.VON WETTSTEIN-KNOWLES,A.HENRIKSEN . 1624 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51131.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1160 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 6.5 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 . 6 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 . 7 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 . 112 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 180 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 442 27.2 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 7 5 4 2 2 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 . 14 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 11 3 0 0 0 1 15 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 . 9 1 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 0 170 0, 0.0 2,-0.2 0, 0.0 177,-0.1 0.000 360.0 360.0 360.0-168.9 12.6 52.7 74.4 2 2 A K - 0 0 96 176,-0.6 2,-0.3 175,-0.1 175,-0.0 -0.548 360.0-130.3 -80.1 140.9 15.1 55.1 75.9 3 3 A R - 0 0 90 -2,-0.2 240,-2.4 174,-0.1 2,-0.4 -0.655 21.0-149.4 -90.2 150.3 17.6 53.8 78.4 4 4 A V E +A 242 0A 2 253,-0.5 253,-3.0 -2,-0.3 2,-0.3 -0.977 15.7 178.3-128.3 133.9 18.1 55.6 81.7 5 5 A V E -AB 241 256A 0 236,-2.9 236,-2.9 -2,-0.4 2,-0.6 -0.796 30.6-117.7-127.4 167.2 21.1 56.0 84.0 6 6 A I E +AB 240 255A 3 249,-2.6 248,-2.5 -2,-0.3 249,-0.8 -0.945 31.0 170.7-106.9 121.0 22.1 57.8 87.2 7 7 A T E + 0 0 0 232,-2.1 245,-0.4 -2,-0.6 2,-0.3 0.266 61.7 17.3-114.4 7.7 24.8 60.4 86.6 8 8 A G E -A 239 0A 0 231,-0.5 231,-2.5 243,-0.1 2,-0.3 -0.937 57.7-166.4-173.7 151.0 24.9 62.1 90.0 9 9 A L E -A 238 0A 1 -2,-0.3 2,-0.3 72,-0.3 229,-0.2 -0.982 4.1-176.3-147.2 158.1 23.9 61.9 93.6 10 10 A G E +A 237 0A 0 227,-2.2 227,-2.5 -2,-0.3 2,-0.3 -0.986 11.3 178.4-151.0 146.9 23.5 63.9 96.7 11 11 A I E -A 236 0A 0 -2,-0.3 2,-0.4 225,-0.2 225,-0.2 -0.991 24.1-172.9-159.4 145.7 22.5 63.1 100.2 12 12 A V E +A 235 0A 0 223,-2.5 223,-2.6 -2,-0.3 2,-0.2 -0.896 37.8 147.9-136.4 101.3 22.0 64.4 103.7 13 13 A S B > -K 16 0B 0 3,-3.0 3,-1.7 -2,-0.4 40,-0.5 -0.780 63.4 -92.2-131.8 176.8 21.3 61.5 106.2 14 14 A S T 3 S+ 0 0 6 219,-0.3 37,-0.2 1,-0.3 3,-0.1 0.686 125.0 45.5 -62.0 -18.8 21.7 60.4 109.7 15 15 A I T 3 S- 0 0 8 1,-0.3 10,-0.4 35,-0.1 -1,-0.3 0.252 125.9 -2.0-110.4 12.6 24.9 58.7 108.7 16 16 A G B < -K 13 0B 7 -3,-1.7 -3,-3.0 9,-0.1 -1,-0.3 -0.682 46.8-136.5 165.2 140.9 26.5 61.4 106.6 17 17 A N S S+ 0 0 31 -5,-0.2 2,-0.3 -2,-0.2 -6,-0.2 0.355 95.8 12.1 -90.9 5.1 26.1 64.9 105.1 18 18 A N S > S- 0 0 40 -8,-0.1 4,-2.1 -5,-0.1 5,-0.2 -0.947 94.6 -86.5-165.3 171.9 27.4 63.8 101.7 19 19 A Q H > S+ 0 0 24 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.756 122.4 56.9 -64.3 -24.0 28.2 60.6 99.9 20 20 A Q H > S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.963 110.4 42.3 -70.0 -52.3 31.8 60.5 101.3 21 21 A E H > S+ 0 0 84 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.870 115.9 51.1 -61.5 -35.9 30.6 60.5 104.9 22 22 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.911 108.3 51.0 -67.5 -43.2 27.8 58.1 104.0 23 23 A L H X S+ 0 0 36 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.926 109.6 50.9 -59.6 -44.5 30.2 55.7 102.4 24 24 A A H X S+ 0 0 58 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.883 112.1 46.9 -60.5 -40.8 32.4 55.8 105.5 25 25 A S H X>S+ 0 0 12 -4,-1.8 5,-2.3 -10,-0.4 4,-1.3 0.919 111.2 50.2 -68.2 -45.6 29.5 55.0 107.7 26 26 A L H <5S+ 0 0 0 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.919 111.4 48.8 -59.3 -46.0 28.2 52.2 105.6 27 27 A R H <5S+ 0 0 100 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.860 116.7 42.4 -62.1 -37.8 31.6 50.5 105.4 28 28 A E H <5S- 0 0 123 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.572 105.6-125.6 -86.1 -11.6 32.0 50.8 109.2 29 29 A G T <5 + 0 0 17 -4,-1.3 2,-0.2 -3,-0.4 -3,-0.2 0.838 48.9 174.5 67.8 31.0 28.4 49.7 110.0 30 30 A R < - 0 0 128 -5,-2.3 2,-0.2 -6,-0.2 -1,-0.2 -0.511 26.8-127.8 -76.7 137.3 28.1 53.0 112.0 31 31 A S - 0 0 14 -2,-0.2 300,-0.2 -3,-0.1 299,-0.1 -0.587 13.3-164.2 -85.7 143.2 24.8 53.9 113.4 32 32 A G + 0 0 3 298,-3.3 19,-0.4 -2,-0.2 2,-0.4 0.283 55.9 114.4-106.7 9.6 23.2 57.3 112.8 33 33 A I + 0 0 2 297,-0.5 2,-0.3 17,-0.2 17,-0.2 -0.659 39.2 170.0 -86.9 132.4 20.7 56.9 115.7 34 34 A T E -L 49 0C 47 15,-2.4 15,-2.0 -2,-0.4 2,-0.2 -0.886 39.8 -87.0-135.6 166.2 20.9 59.2 118.7 35 35 A F E -L 48 0C 70 -2,-0.3 2,-0.6 13,-0.2 13,-0.3 -0.509 38.7-149.0 -72.6 139.8 18.9 60.1 121.8 36 36 A S > - 0 0 2 11,-3.4 4,-1.9 -2,-0.2 5,-0.1 -0.919 19.6-176.3-119.0 110.1 16.4 62.8 121.3 37 37 A Q H > S+ 0 0 60 -2,-0.6 4,-3.3 1,-0.2 5,-0.2 0.852 88.5 60.6 -67.3 -33.7 15.5 65.1 124.2 38 38 A E H > S+ 0 0 60 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.915 106.3 43.8 -60.4 -45.8 12.9 66.8 121.9 39 39 A L H >>S+ 0 0 0 2,-0.2 5,-1.6 1,-0.2 4,-0.5 0.915 115.4 49.5 -67.5 -40.6 11.0 63.5 121.5 40 40 A K H ><5S+ 0 0 54 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.952 110.0 50.2 -62.1 -49.7 11.2 62.7 125.2 41 41 A D H 3<5S+ 0 0 108 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.777 101.2 63.7 -60.3 -28.1 10.0 66.2 126.2 42 42 A S H 3<5S- 0 0 24 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.685 120.6-107.2 -71.4 -15.5 7.0 65.9 123.9 43 43 A G T <<5 + 0 0 50 -3,-1.7 490,-0.3 -4,-0.5 -3,-0.2 0.457 69.8 146.1 104.0 3.4 5.8 63.0 126.0 44 44 A M < - 0 0 6 -5,-1.6 -1,-0.2 2,-0.1 155,-0.1 -0.173 50.7-139.5 -70.2 165.7 6.6 60.2 123.5 45 45 A R S S+ 0 0 123 154,-0.1 2,-0.6 1,-0.1 167,-0.1 0.715 89.1 73.0 -94.8 -29.5 7.7 56.7 124.4 46 46 A S + 0 0 0 1,-0.1 163,-0.2 -7,-0.1 -2,-0.1 -0.797 56.3 175.4 -88.5 121.0 10.3 56.5 121.6 47 47 A H + 0 0 24 -2,-0.6 -11,-3.4 161,-0.1 2,-0.3 0.098 50.3 83.3-114.4 21.8 13.2 58.7 122.5 48 48 A V E +L 35 0C 0 160,-0.3 183,-0.4 -13,-0.3 2,-0.3 -0.906 46.6 162.3-127.0 153.4 15.5 57.9 119.6 49 49 A W E -L 34 0C 27 -15,-2.0 -15,-2.4 -2,-0.3 2,-1.1 -0.992 43.9-111.6-162.7 162.3 15.9 59.1 116.0 50 50 A G B -m 232 0D 0 181,-2.4 183,-2.3 -2,-0.3 -36,-0.2 -0.754 50.0-178.2-100.5 85.1 18.1 59.4 112.9 51 51 A N - 0 0 37 -2,-1.1 2,-0.6 -19,-0.4 -38,-0.1 -0.468 32.4-110.0 -86.7 156.8 18.8 63.1 112.9 52 52 A V - 0 0 17 -2,-0.1 2,-1.4 2,-0.1 -38,-0.2 -0.747 23.8-150.0 -84.2 121.4 20.8 65.1 110.4 53 53 A K + 0 0 86 -2,-0.6 2,-0.3 -40,-0.5 -36,-0.1 -0.632 57.2 107.4 -93.2 77.0 24.0 66.3 112.2 54 54 A L - 0 0 68 -2,-1.4 2,-1.0 -42,-0.0 -2,-0.1 -0.973 66.0-134.4-155.4 137.5 24.5 69.5 110.2 55 55 A D - 0 0 113 -2,-0.3 -2,-0.1 1,-0.1 0, 0.0 -0.804 22.2-176.9 -93.8 99.2 24.1 73.2 110.9 56 56 A T > + 0 0 36 -2,-1.0 3,-2.2 2,-0.1 4,-0.4 0.464 35.4 133.7 -76.2 -0.7 22.2 74.3 107.7 57 57 A T T 3 S- 0 0 109 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 -0.265 80.2 -0.9 -55.1 126.9 22.4 78.0 108.9 58 58 A G T 3 S+ 0 0 69 2,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.587 97.4 113.4 69.2 11.5 23.4 80.2 106.0 59 59 A L S < S+ 0 0 80 -3,-2.2 2,-0.4 1,-0.1 -2,-0.1 0.646 75.6 47.4 -86.4 -15.6 23.8 77.4 103.5 60 60 A I S S- 0 0 10 -4,-0.4 -2,-0.2 2,-0.0 -1,-0.1 -0.978 101.9 -91.4-128.7 139.8 20.9 78.7 101.4 61 61 A D >> - 0 0 74 -2,-0.4 4,-3.1 1,-0.1 3,-1.4 -0.159 34.3-126.4 -48.0 133.5 20.2 82.2 100.2 62 62 A R H 3> S+ 0 0 170 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.849 109.3 51.5 -51.4 -43.4 18.0 84.1 102.7 63 63 A K H 34 S+ 0 0 147 2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.678 117.4 41.0 -70.7 -18.0 15.4 85.1 100.0 64 64 A V H X4 S+ 0 0 38 -3,-1.4 3,-1.8 2,-0.1 -2,-0.2 0.889 111.2 50.8 -93.1 -52.6 15.2 81.4 99.0 65 65 A V H >< S+ 0 0 47 -4,-3.1 3,-1.6 1,-0.3 -2,-0.2 0.692 92.0 79.3 -62.1 -19.6 15.3 79.6 102.4 66 66 A R T 3< S+ 0 0 104 -4,-1.2 -1,-0.3 -5,-0.3 70,-0.1 0.700 95.8 45.8 -63.5 -17.6 12.5 81.8 103.7 67 67 A F T < S+ 0 0 26 -3,-1.8 2,-0.3 68,-0.1 -1,-0.3 0.419 101.1 97.4-101.7 0.4 9.9 79.7 101.8 68 68 A M < - 0 0 7 -3,-1.6 2,-0.2 -4,-0.2 68,-0.2 -0.697 53.0-159.5-104.2 145.4 11.4 76.4 102.9 69 69 A S > - 0 0 3 -2,-0.3 4,-2.2 66,-0.3 3,-0.3 -0.546 48.5 -91.3-101.3 172.4 10.7 73.8 105.6 70 70 A D H > S+ 0 0 42 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.862 125.4 58.4 -55.9 -40.0 13.4 71.3 106.6 71 71 A A H > S+ 0 0 0 37,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.944 110.1 43.8 -56.2 -46.7 12.3 68.7 104.1 72 72 A S H > S+ 0 0 0 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.888 112.7 53.0 -65.4 -39.4 13.0 71.2 101.3 73 73 A I H X S+ 0 0 13 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.955 109.7 46.9 -61.3 -50.3 16.2 72.3 102.8 74 74 A Y H X S+ 0 0 25 -4,-3.0 4,-1.9 1,-0.2 161,-0.2 0.892 116.4 45.3 -58.7 -41.1 17.6 68.7 103.1 75 75 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.875 110.6 53.8 -69.6 -39.5 16.5 68.1 99.5 76 76 A F H X S+ 0 0 15 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.928 110.9 45.4 -61.1 -47.5 17.9 71.4 98.2 77 77 A L H X S+ 0 0 11 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.906 112.4 52.2 -63.7 -41.0 21.3 70.7 99.7 78 78 A S H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 159,-0.2 0.888 109.0 50.5 -61.9 -39.1 21.2 67.2 98.3 79 79 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.862 105.9 54.3 -68.8 -35.9 20.4 68.6 94.9 80 80 A E H X S+ 0 0 86 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.926 111.8 46.4 -61.6 -43.2 23.3 71.0 95.1 81 81 A Q H X S+ 0 0 48 -4,-2.0 4,-3.0 1,-0.2 -72,-0.3 0.906 112.2 49.9 -62.8 -45.6 25.6 68.0 95.7 82 82 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.887 108.7 52.3 -62.1 -42.4 24.0 66.0 92.9 83 83 A I H X>S+ 0 0 14 -4,-2.7 5,-2.3 2,-0.2 4,-0.7 0.930 114.7 41.5 -60.8 -46.8 24.4 68.8 90.4 84 84 A A H ><5S+ 0 0 73 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.944 113.9 52.1 -65.8 -48.0 28.1 69.2 91.2 85 85 A D H 3<5S+ 0 0 51 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.781 109.5 51.1 -59.0 -28.6 28.6 65.4 91.3 86 86 A A H 3<5S- 0 0 5 -4,-1.8 -1,-0.3 -5,-0.2 166,-0.2 0.634 111.3-123.6 -84.5 -14.1 27.0 65.2 87.9 87 87 A G T <<5 + 0 0 58 -3,-1.3 2,-0.3 -4,-0.7 -3,-0.2 0.754 58.3 151.9 77.7 25.0 29.3 67.8 86.5 88 88 A L < - 0 0 15 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.689 28.5-160.8 -94.1 142.4 26.4 70.0 85.5 89 89 A S >> - 0 0 58 -2,-0.3 3,-2.2 1,-0.1 4,-1.4 -0.848 34.5-103.0-118.0 155.8 26.5 73.8 85.2 90 90 A P H 3> S+ 0 0 54 0, 0.0 4,-2.7 0, 0.0 3,-0.1 0.834 118.1 60.4 -43.7 -45.5 23.7 76.4 85.1 91 91 A E H 34 S+ 0 0 166 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.795 110.0 43.9 -56.9 -27.8 23.9 76.9 81.3 92 92 A A H <4 S+ 0 0 49 -3,-2.2 -1,-0.2 1,-0.1 -4,-0.0 0.821 127.0 21.9 -89.8 -33.2 23.1 73.2 80.9 93 93 A Y H >< S+ 0 0 14 -4,-1.4 3,-0.6 -3,-0.1 60,-0.3 0.638 101.7 88.4-111.8 -16.0 20.3 72.5 83.3 94 94 A Q T 3< S+ 0 0 47 -4,-2.7 58,-0.2 -5,-0.3 57,-0.2 -0.584 98.3 4.3 -87.7 148.0 18.7 75.9 84.0 95 95 A N T 3 S+ 0 0 90 56,-3.1 -1,-0.2 -2,-0.2 57,-0.1 0.853 95.7 136.8 50.1 38.9 15.9 77.4 81.9 96 96 A N X - 0 0 49 -3,-0.6 3,-2.3 55,-0.4 57,-0.7 -0.947 49.6-156.7-122.0 110.9 15.8 74.2 79.9 97 97 A P T 3 S+ 0 0 62 0, 0.0 58,-0.2 0, 0.0 -1,-0.1 0.665 94.6 61.6 -57.0 -18.5 12.4 72.6 79.0 98 98 A R T 3 S+ 0 0 88 56,-0.1 85,-3.0 84,-0.1 86,-1.7 0.357 94.0 73.4 -91.1 3.7 14.2 69.2 78.7 99 99 A V E < +c 184 0A 3 -3,-2.3 55,-2.3 83,-0.2 54,-0.6 -0.977 62.5 163.7-122.8 123.4 15.3 69.2 82.4 100 100 A G E -c 185 0A 0 84,-2.4 86,-2.6 -2,-0.5 2,-0.3 -0.580 27.1-129.0-127.3-170.2 12.8 68.6 85.2 101 101 A L E +cd 186 156A 0 54,-2.5 56,-1.4 84,-0.3 2,-0.4 -0.972 15.1 177.3-149.9 129.2 12.4 67.7 88.8 102 102 A I E +cd 187 157A 0 84,-2.9 86,-1.5 -2,-0.3 2,-0.3 -0.939 29.3 134.2-133.1 108.2 10.3 65.2 90.7 103 103 A A E +c 188 0A 0 54,-1.0 40,-0.3 -2,-0.4 86,-0.3 -0.983 18.7 160.8-153.9 144.2 10.8 65.1 94.4 104 104 A G E -c 189 0A 0 84,-1.5 86,-1.7 -2,-0.3 2,-0.3 -0.803 26.1-124.1-149.2-169.9 8.6 64.9 97.4 105 105 A S - 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F 0 396A 0 133,-1.5 133,-2.6 -2,-0.4 2,-0.3 -0.794 34.2-126.3-136.5-179.9 2.2 48.1 92.6 264 264 A S E - F 0 395A 0 296,-1.6 131,-0.2 -2,-0.2 130,-0.1 -0.986 3.5-151.4-134.3 140.8 -0.6 48.2 95.2 265 265 A D - 0 0 3 129,-2.5 129,-0.1 -2,-0.3 -1,-0.1 0.889 16.8-160.4 -76.7 -42.6 -1.7 45.7 97.9 266 266 A G + 0 0 4 127,-0.3 289,-0.1 128,-0.2 128,-0.1 0.912 67.3 83.4 59.8 41.6 -5.4 46.6 97.9 267 267 A A S S+ 0 0 58 1,-0.4 2,-0.3 4,-0.1 291,-0.1 0.416 82.8 15.7-133.5 -86.2 -5.6 45.0 101.4 268 268 A D - 0 0 69 3,-0.5 -1,-0.4 1,-0.1 125,-0.2 -0.781 54.0-139.8-106.1 148.8 -4.6 46.6 104.7 269 269 A M S S+ 0 0 13 -2,-0.3 124,-3.0 1,-0.2 125,-0.4 0.876 100.4 14.7 -70.7 -40.7 -4.1 50.3 105.4 270 270 A V S S+ 0 0 49 122,-0.2 -1,-0.2 123,-0.1 122,-0.1 0.303 116.5 70.8-120.9 9.2 -1.0 50.0 107.7 271 271 A A S S- 0 0 36 120,-0.1 -3,-0.5 33,-0.0 2,-0.1 -0.982 76.8-119.2-130.1 140.8 0.2 46.5 107.1 272 272 A P - 0 0 39 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.470 9.7-156.2 -75.3 145.5 1.9 44.9 104.1 273 273 A S - 0 0 31 -2,-0.1 2,-1.2 -5,-0.1 0, 0.0 0.612 21.1-144.3 -95.1 -15.8 0.2 42.0 102.3 274 274 A G S > S+ 0 0 10 1,-0.1 4,-2.1 4,-0.0 5,-0.1 -0.128 87.6 83.7 80.8 -42.4 3.4 40.6 100.9 275 275 A E H > S+ 0 0 84 -2,-1.2 4,-1.5 1,-0.2 -1,-0.1 0.864 90.2 49.9 -59.6 -38.5 1.5 39.6 97.7 276 276 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.913 107.9 52.4 -67.2 -43.0 1.9 43.2 96.4 277 277 A A H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.871 104.9 56.5 -61.1 -39.1 5.6 43.2 97.1 278 278 A V H X S+ 0 0 20 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.929 111.0 42.9 -59.7 -45.5 6.0 39.9 95.1 279 279 A R H X S+ 0 0 41 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.881 112.3 54.8 -68.3 -36.7 4.4 41.5 92.1 280 280 A C H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.935 111.1 43.1 -62.8 -48.1 6.4 44.7 92.5 281 281 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.912 113.6 51.5 -65.4 -42.7 9.8 42.9 92.6 282 282 A K H X S+ 0 0 108 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.880 108.7 52.3 -61.4 -37.5 8.9 40.7 89.7 283 283 A M H >< S+ 0 0 87 -4,-2.2 3,-0.6 1,-0.2 -23,-0.3 0.926 110.8 46.4 -64.1 -44.8 7.8 43.7 87.7 284 284 A A H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.811 113.1 50.5 -68.1 -28.6 11.2 45.4 88.4 285 285 A M H >< S+ 0 0 50 -4,-2.0 3,-2.1 -5,-0.1 -1,-0.2 0.606 81.2 119.5 -84.3 -12.3 13.0 42.2 87.5 286 286 A H T << S+ 0 0 158 -4,-1.0 3,-0.1 -3,-0.6 -3,-0.0 -0.350 86.4 6.3 -60.4 120.1 11.1 41.7 84.2 287 287 A G T 3 S+ 0 0 71 1,-0.3 2,-0.9 -2,-0.2 -1,-0.3 0.287 92.4 131.8 91.0 -11.2 13.6 41.7 81.3 288 288 A V < - 0 0 25 -3,-2.1 -1,-0.3 1,-0.1 -29,-0.0 -0.669 37.1-171.0 -79.1 108.6 16.6 41.8 83.6 289 289 A D + 0 0 132 -2,-0.9 -1,-0.1 -3,-0.1 -3,-0.0 0.289 62.4 74.0 -84.0 9.3 18.9 39.1 82.2 290 290 A T S S- 0 0 41 93,-0.0 2,-0.1 0, 0.0 -2,-0.0 -0.934 85.4-108.5-123.2 148.7 21.2 39.2 85.2 291 291 A P - 0 0 93 0, 0.0 2,-0.7 0, 0.0 93,-0.2 -0.362 35.5-103.4 -73.6 153.0 20.7 37.9 88.8 292 292 A I - 0 0 12 1,-0.2 93,-0.2 91,-0.1 31,-0.2 -0.679 35.3-176.4 -78.0 115.5 20.2 40.3 91.7 293 293 A D + 0 0 47 91,-2.2 30,-1.6 -2,-0.7 2,-0.3 0.860 68.9 16.6 -80.5 -39.2 23.5 40.3 93.6 294 294 A Y E -gh 323 385A 0 90,-1.3 92,-2.1 28,-0.2 2,-0.4 -0.987 61.7-161.1-137.7 146.1 22.4 42.5 96.5 295 295 A L E -gh 324 386A 0 28,-2.2 30,-1.5 -2,-0.3 2,-1.2 -0.965 8.1-155.8-132.3 115.4 19.0 43.5 97.8 296 296 A N E -gh 325 387A 0 90,-3.3 92,-2.0 -2,-0.4 30,-0.2 -0.781 29.1-151.1 -89.0 97.1 18.6 46.6 100.0 297 297 A S - 0 0 1 -2,-1.2 30,-0.3 28,-0.9 31,-0.3 -0.095 22.7-122.2 -66.8 167.1 15.4 45.6 101.8 298 298 A H + 0 0 21 7,-0.1 30,-0.2 28,-0.1 -1,-0.1 0.933 57.3 152.3 -72.1 -46.0 12.8 48.0 103.2 299 299 A G + 0 0 1 1,-0.2 29,-0.2 6,-0.2 -78,-0.2 0.662 17.5 173.8 12.8 80.2 13.4 46.3 106.6 300 300 A T - 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0 0 1 34,-0.5 57,-0.2 -2,-0.2 86,-0.2 -0.905 25.8-119.8-137.4 164.6 -4.4 66.6 97.7 513 106 B G S S+ 0 0 9 84,-0.3 -374,-1.8 -2,-0.3 -373,-0.5 0.854 106.2 7.5 -76.6 -35.2 -2.5 69.9 98.0 514 107 B G S S- 0 0 17 1,-0.3 2,-0.4 -376,-0.2 -1,-0.1 0.148 83.3-135.9-137.8 27.1 -1.9 69.6 101.7 515 108 B G S S- 0 0 4 31,-0.3 84,-0.4 82,-0.2 -1,-0.3 -0.391 73.4 -30.4 57.6-111.6 -2.9 66.2 103.1 516 109 B S > + 0 0 0 28,-0.9 4,-2.0 -2,-0.4 5,-0.2 -0.695 52.3 175.4-145.0 92.0 -4.8 67.2 106.3 517 110 B P H > S+ 0 0 1 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.889 86.2 59.5 -58.9 -38.1 -3.8 70.3 108.2 518 111 B R H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.946 109.9 38.3 -58.2 -51.4 -6.7 69.6 110.6 519 112 B F H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.787 114.0 55.7 -73.9 -23.5 -5.5 66.2 111.7 520 113 B Q H X S+ 0 0 14 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.940 113.5 41.3 -69.4 -45.4 -1.9 67.3 111.8 521 114 B V H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.887 112.9 56.0 -66.9 -38.4 -2.9 70.1 114.1 522 115 B F H X S+ 0 0 86 -4,-2.5 4,-2.9 -5,-0.3 5,-0.2 0.920 107.5 48.5 -58.5 -46.6 -5.2 67.7 116.0 523 116 B G H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.925 113.7 45.1 -60.6 -47.3 -2.3 65.3 116.6 524 117 B A H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.892 115.0 48.7 -64.3 -41.4 -0.0 68.0 117.9 525 118 B D H < S+ 0 0 56 -4,-2.7 4,-0.3 2,-0.2 -2,-0.2 0.939 114.0 45.6 -63.5 -48.3 -2.8 69.5 120.1 526 119 B A H >< S+ 0 0 14 -4,-2.9 3,-1.8 1,-0.2 6,-0.6 0.917 109.6 54.9 -60.5 -46.7 -3.7 66.1 121.5 527 120 B M H 3< S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.827 106.7 51.4 -58.0 -34.5 -0.1 65.1 122.1 528 121 B R T 3< S+ 0 0 107 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.487 99.4 89.5 -83.0 -2.0 0.4 68.3 124.2 529 122 B G S X S- 0 0 31 -3,-1.8 3,-0.6 -4,-0.3 6,-0.1 -0.157 98.6 -89.6 -86.1-176.9 -2.7 67.5 126.3 530 123 B P T 3 S+ 0 0 139 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.553 125.1 48.0 -71.6 -8.1 -3.1 65.5 129.5 531 124 B R T > S+ 0 0 145 -5,-0.4 3,-1.8 1,-0.2 4,-0.2 0.570 81.4 177.4-106.3 -14.8 -3.7 62.3 127.6 532 125 B G T X> S+ 0 0 13 -6,-0.6 4,-1.5 -3,-0.6 3,-1.3 -0.196 70.5 9.1 51.2-128.6 -0.8 62.6 125.2 533 126 B L H 3> S+ 0 0 27 -490,-0.3 4,-1.9 1,-0.3 -1,-0.3 0.800 127.7 60.4 -51.4 -36.8 -0.5 59.5 122.9 534 127 B K H <4 S+ 0 0 149 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.837 106.0 47.4 -63.5 -33.6 -3.8 58.2 124.1 535 128 B A H <4 S+ 0 0 24 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.852 107.3 57.6 -76.0 -34.5 -5.6 61.3 122.9 536 129 B V H < S- 0 0 4 -4,-1.5 3,-0.3 -10,-0.1 -2,-0.2 0.932 91.3-162.9 -61.5 -48.6 -3.8 61.1 119.5 537 130 B G < - 0 0 19 -4,-1.9 3,-0.5 1,-0.2 -334,-0.1 -0.050 33.4 -82.1 83.1 167.6 -5.0 57.7 118.6 538 131 B P S S+ 0 0 60 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.154 113.8 69.3 -95.3 18.7 -3.6 55.3 116.0 539 132 B Y > + 0 0 62 -3,-0.3 4,-0.9 2,-0.1 5,-0.1 0.425 67.8 90.5-115.9 1.2 -5.3 56.8 112.9 540 133 B V H > S+ 0 0 3 -3,-0.5 4,-2.8 1,-0.2 5,-0.3 0.858 80.2 59.6 -68.6 -34.9 -3.7 60.2 112.5 541 134 B V H > S+ 0 0 12 -341,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.948 106.9 44.3 -60.3 -50.5 -0.9 59.1 110.2 542 135 B T H 4 S+ 0 0 2 1,-0.2 -66,-0.3 -4,-0.2 -1,-0.2 0.759 116.9 48.9 -67.2 -22.0 -3.1 57.9 107.4 543 136 B K H < S+ 0 0 36 -4,-0.9 -2,-0.2 -68,-0.2 -1,-0.2 0.883 120.2 33.1 -82.8 -39.2 -5.3 61.0 107.8 544 137 B A H < S+ 0 0 9 -4,-2.8 -28,-0.9 -25,-0.2 -2,-0.2 0.695 88.9 107.2 -92.3 -21.9 -2.5 63.5 107.7 545 138 B M S >< S- 0 0 14 -4,-2.5 3,-1.8 -5,-0.3 -438,-0.2 -0.230 77.3-120.0 -58.9 148.3 0.1 62.0 105.4 546 139 B A T 3 S+ 0 0 3 -440,-2.3 -34,-0.5 1,-0.3 3,-0.4 0.781 112.7 54.2 -61.2 -28.1 0.3 63.6 101.9 547 140 B S T >> S+ 0 0 1 -441,-0.5 4,-2.9 1,-0.2 3,-0.7 0.312 73.1 114.1 -89.7 9.8 -0.6 60.4 100.2 548 141 B G H <> S+ 0 0 3 -3,-1.8 4,-2.9 1,-0.2 5,-0.2 0.866 71.7 55.1 -45.8 -47.4 -3.8 60.0 102.2 549 142 B V H 34 S+ 0 0 1 -3,-0.4 4,-0.4 -4,-0.2 -1,-0.2 0.875 115.5 36.1 -58.2 -42.4 -6.0 60.4 99.2 550 143 B S H X> S+ 0 0 2 -3,-0.7 4,-3.1 -40,-0.3 3,-0.7 0.924 119.3 49.0 -78.8 -42.8 -4.4 57.6 97.2 551 144 B A H 3X S+ 0 0 2 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.918 110.0 50.3 -61.0 -46.7 -3.7 55.3 100.1 552 145 B C H 3< S+ 0 0 2 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.604 119.6 37.5 -70.5 -11.7 -7.3 55.5 101.5 553 146 B L H <> S+ 0 0 0 -3,-0.7 4,-2.2 -4,-0.4 6,-0.2 0.806 110.7 55.0-104.7 -45.5 -8.8 54.7 98.2 554 147 B A H <>S+ 0 0 0 -4,-3.1 5,-2.8 1,-0.2 -3,-0.2 0.869 109.1 51.2 -56.0 -38.9 -6.4 52.1 96.7 555 148 B T T ><5S+ 0 0 8 -4,-1.6 3,-1.6 -5,-0.3 -1,-0.2 0.982 113.8 37.1 -66.2 -61.2 -6.8 49.9 99.8 556 149 B P T 345S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.841 115.6 55.1 -63.8 -31.5 -10.6 49.6 100.1 557 150 B F T 3<5S- 0 0 14 -4,-2.2 -2,-0.2 1,-0.0 -55,-0.1 0.390 110.4-123.1 -83.3 8.0 -11.2 49.5 96.4 558 151 B K T < 5 - 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0 0 1 34,-0.5 57,-0.2 -2,-0.3 86,-0.2 -0.855 26.2-119.0-132.5 168.3 33.5 78.1 141.3 1327 106 D G S S+ 0 0 8 84,-0.3 -374,-2.1 -2,-0.3 -373,-0.5 0.865 107.3 7.4 -78.2 -36.4 36.5 76.7 143.0 1328 107 D G S S- 0 0 13 1,-0.3 2,-0.7 -376,-0.2 -1,-0.1 0.226 83.6-135.7-134.4 21.3 39.0 78.2 140.4 1329 108 D G S S- 0 0 3 31,-0.3 84,-0.4 82,-0.2 -1,-0.3 -0.478 74.8 -29.2 63.5-108.5 37.2 80.4 138.0 1330 109 D S > + 0 0 0 28,-0.9 4,-1.9 -2,-0.7 5,-0.2 -0.700 53.3 176.2-146.3 92.0 38.8 79.3 134.7 1331 110 D P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.892 86.1 58.6 -59.4 -37.3 42.3 77.9 134.6 1332 111 D R H > S+ 0 0 67 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.945 110.8 37.5 -58.3 -53.2 41.8 77.2 130.9 1333 112 D F H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.763 113.6 57.6 -73.8 -21.5 41.1 80.8 129.9 1334 113 D Q H X S+ 0 0 14 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.914 113.7 39.2 -71.3 -41.8 43.7 82.1 132.4 1335 114 D V H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.901 112.3 57.7 -72.3 -40.7 46.3 79.9 130.6 1336 115 D F H X S+ 0 0 89 -4,-2.9 4,-2.9 -5,-0.3 5,-0.2 0.924 106.2 50.5 -53.5 -46.4 44.8 80.8 127.3 1337 116 D G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.919 112.4 44.0 -59.6 -47.4 45.3 84.5 128.0 1338 117 D A H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.900 115.1 49.7 -65.7 -41.3 49.0 84.1 129.0 1339 118 D D H < S+ 0 0 55 -4,-2.9 4,-0.3 2,-0.2 3,-0.3 0.945 113.2 45.8 -62.2 -49.5 49.7 81.8 126.0 1340 119 D A H >< S+ 0 0 15 -4,-2.9 3,-1.8 -5,-0.2 6,-0.6 0.917 109.1 55.2 -60.4 -45.5 48.1 84.1 123.5 1341 120 D M H 3< S+ 0 0 10 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.822 107.4 50.7 -58.2 -32.3 49.8 87.2 125.0 1342 121 D R T 3< S+ 0 0 113 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.482 100.4 87.8 -85.2 -2.3 53.2 85.4 124.4 1343 122 D G S X S- 0 0 31 -3,-1.8 3,-1.0 -4,-0.3 6,-0.1 -0.260 99.1 -89.6 -89.0 180.0 52.3 84.7 120.9 1344 123 D P T 3 S+ 0 0 139 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.611 124.3 49.0 -65.5 -15.5 52.7 86.7 117.6 1345 124 D R T > S+ 0 0 144 -5,-0.3 3,-1.9 1,-0.2 4,-0.4 0.551 81.0 176.7-101.7 -10.2 49.4 88.5 118.0 1346 125 D G T X> S+ 0 0 13 -3,-1.0 4,-1.8 -6,-0.6 3,-0.9 -0.116 70.3 9.5 46.5-126.5 49.7 89.5 121.6 1347 126 D L H 3> S+ 0 0 30 -490,-0.3 4,-2.0 1,-0.3 -1,-0.3 0.789 128.7 58.9 -52.2 -35.0 46.8 91.5 122.8 1348 127 D K H <4 S+ 0 0 141 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.882 106.4 47.6 -64.5 -38.6 44.8 90.8 119.6 1349 128 D A H <4 S+ 0 0 24 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.2 0.872 107.7 56.6 -70.4 -37.8 45.0 87.1 120.3 1350 129 D V H < S- 0 0 5 -4,-1.8 3,-0.3 -10,-0.1 -2,-0.2 0.944 93.3-164.3 -59.7 -48.6 43.9 87.5 123.9 1351 130 D G < - 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