==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 04-SEP-12 4GXR . COMPND 2 MOLECULE: MALONYL COA SYNTHETASE, BENZOATE-COA LIGASE CHIME . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS, BURKHOLDER . AUTHOR K.C.RANK,H.A.CROSBY,J.C.ESCALANTE-SEMERENA,I.RAYMENT . 503 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21470.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 0 0.0 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 . 30 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 0 2 4 0 4 0 2 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 6 0 0 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 . 6 0 2 2 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 0 0 3 0 0 0 0 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 0 237 0, 0.0 2,-0.4 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0 -30.1 -32.9 13.1 18.1 2 2 A N - 0 0 31 1,-0.2 151,-0.1 149,-0.1 149,-0.1 -0.520 360.0-157.8 -60.9 120.4 -34.5 15.1 15.2 3 3 A A + 0 0 18 149,-1.7 150,-0.2 -2,-0.4 -1,-0.2 0.569 49.5 128.7 -79.3 -8.8 -38.0 13.7 14.9 4 4 A N > - 0 0 0 148,-0.5 4,-2.7 146,-0.2 3,-0.4 -0.266 64.2-133.5 -48.7 126.3 -38.3 14.9 11.3 5 5 A L H > S+ 0 0 1 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.860 105.6 54.7 -55.4 -40.0 -39.4 11.9 9.3 6 6 A F H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.915 110.1 45.8 -60.6 -43.0 -36.8 12.6 6.6 7 7 A A H > S+ 0 0 5 -3,-0.4 4,-2.7 2,-0.2 5,-0.5 0.927 111.1 52.6 -65.7 -43.8 -34.1 12.6 9.3 8 8 A R H < S+ 0 0 105 -4,-2.7 4,-0.2 1,-0.2 -2,-0.2 0.920 116.7 41.1 -55.7 -44.7 -35.5 9.4 10.8 9 9 A L H < S+ 0 0 0 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.922 135.6 8.1 -66.0 -46.7 -35.4 7.8 7.4 10 10 A F H < S+ 0 0 11 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.452 90.2 98.3-127.7 -4.6 -32.0 9.1 6.1 11 11 A D S < S+ 0 0 125 -4,-2.7 2,-0.6 -5,-0.3 -3,-0.1 0.907 99.6 35.6 -59.4 -42.0 -29.9 10.9 8.7 12 12 A X S S+ 0 0 191 -5,-0.5 2,-0.5 -4,-0.2 -1,-0.2 -0.968 76.2 173.5-110.8 114.9 -27.9 7.7 9.3 13 13 A L + 0 0 39 -2,-0.6 -3,-0.1 1,-0.1 -4,-0.0 -0.885 8.1 176.6-128.5 96.6 -27.5 5.8 6.0 14 14 A D S S+ 0 0 119 -2,-0.5 -1,-0.1 1,-0.2 0, 0.0 0.807 80.0 33.4 -73.7 -32.4 -25.3 2.8 6.3 15 15 A D > + 0 0 84 1,-0.1 3,-1.6 3,-0.0 16,-0.3 -0.611 68.8 166.4-125.8 68.6 -25.6 1.3 2.7 16 16 A P T 3 S+ 0 0 41 0, 0.0 16,-2.6 0, 0.0 15,-0.4 0.753 70.8 56.4 -62.4 -28.6 -26.1 4.4 0.5 17 17 A H T 3 S+ 0 0 155 14,-0.2 3,-0.1 13,-0.2 2,-0.0 0.477 80.3 115.5 -88.0 0.3 -25.5 2.7 -2.9 18 18 A X S < S- 0 0 97 -3,-1.6 13,-2.1 1,-0.1 14,-0.2 -0.354 79.0 -93.7 -65.7 146.2 -28.3 0.2 -2.4 19 19 A L E +A 30 0A 47 11,-0.2 11,-0.3 1,-0.2 -1,-0.1 -0.405 45.9 167.6 -61.1 129.9 -31.3 0.3 -4.7 20 20 A A E + 0 0 0 9,-2.7 205,-1.8 1,-0.3 2,-0.4 0.730 65.0 13.1-105.1 -48.6 -34.3 2.3 -3.4 21 21 A I E -Ab 29 225A 0 8,-2.2 8,-2.9 203,-0.2 2,-0.5 -0.992 49.0-164.3-140.1 129.8 -36.5 2.7 -6.5 22 22 A E E -Ab 28 226A 14 203,-2.8 205,-3.0 -2,-0.4 6,-0.2 -0.967 29.2-140.8-102.1 126.3 -36.8 1.2 -9.9 23 23 A T E > - b 0 227A 22 4,-2.6 3,-1.6 -2,-0.5 205,-0.1 -0.328 26.3-101.7 -81.2 169.0 -39.0 3.4 -12.1 24 24 A A T 3 S+ 0 0 61 203,-0.8 -1,-0.1 1,-0.3 204,-0.1 0.795 124.7 55.2 -60.0 -30.6 -41.5 2.1 -14.6 25 25 A A T 3 S- 0 0 88 2,-0.1 -1,-0.3 1,-0.0 203,-0.0 0.587 123.7-105.5 -78.4 -11.2 -39.0 2.9 -17.4 26 26 A G < + 0 0 34 -3,-1.6 2,-0.1 1,-0.3 -2,-0.1 0.463 69.2 147.7 100.0 3.8 -36.4 0.7 -15.6 27 27 A D - 0 0 107 1,-0.0 -4,-2.6 -5,-0.0 2,-0.5 -0.485 39.5-139.0 -69.9 143.1 -34.2 3.5 -14.3 28 28 A X E -A 22 0A 166 -6,-0.2 2,-0.5 -2,-0.1 -6,-0.2 -0.910 15.5-167.9-113.9 130.4 -32.6 2.6 -10.9 29 29 A I E -A 21 0A 6 -8,-2.9 -9,-2.7 -2,-0.5 -8,-2.2 -0.967 10.7-146.8-122.7 119.3 -32.3 5.1 -8.1 30 30 A S E > -A 19 0A 15 -2,-0.5 4,-2.3 -11,-0.3 -11,-0.2 -0.245 30.1-106.1 -75.6 168.1 -30.1 4.4 -5.0 31 31 A Y H > S+ 0 0 1 -13,-2.1 4,-2.4 -15,-0.4 5,-0.2 0.933 123.3 49.7 -56.7 -46.8 -30.8 5.6 -1.5 32 32 A A H > S+ 0 0 34 -16,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.885 110.8 49.6 -61.4 -39.1 -28.0 8.2 -1.8 33 33 A E H > S+ 0 0 104 -17,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.870 109.7 51.2 -68.3 -37.8 -29.5 9.4 -5.1 34 34 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.922 110.3 48.9 -64.6 -44.8 -33.0 9.7 -3.6 35 35 A V H X S+ 0 0 29 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.920 111.8 49.3 -59.8 -45.2 -31.7 11.8 -0.7 36 36 A A H X S+ 0 0 17 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.900 109.1 51.8 -64.1 -42.3 -29.8 14.1 -3.1 37 37 A R H X S+ 0 0 65 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.914 110.2 49.3 -56.6 -45.0 -32.9 14.5 -5.3 38 38 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.831 107.7 55.3 -66.5 -34.0 -34.9 15.4 -2.2 39 39 A G H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.932 108.4 47.4 -62.2 -47.8 -32.2 17.9 -1.2 40 40 A R H X S+ 0 0 62 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.934 114.8 45.9 -57.6 -49.6 -32.4 19.7 -4.6 41 41 A V H X S+ 0 0 13 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.882 108.5 55.6 -67.7 -37.3 -36.2 19.9 -4.4 42 42 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.922 108.0 50.1 -57.3 -43.8 -36.2 21.1 -0.7 43 43 A N H X S+ 0 0 50 -4,-2.1 4,-2.4 101,-0.3 -2,-0.2 0.886 108.3 53.1 -62.9 -37.5 -33.9 24.0 -1.8 44 44 A V H X S+ 0 0 5 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.931 106.0 53.4 -60.0 -46.0 -36.4 24.7 -4.6 45 45 A L H ><>S+ 0 0 1 -4,-2.4 5,-2.6 1,-0.2 3,-0.7 0.926 111.0 45.3 -57.9 -44.7 -39.3 24.9 -2.1 46 46 A V H ><5S+ 0 0 75 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.921 110.9 54.0 -64.9 -41.5 -37.4 27.4 0.0 47 47 A A H 3<5S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.678 107.4 52.7 -63.8 -18.8 -36.5 29.4 -3.2 48 48 A R T <<5S- 0 0 91 -4,-1.2 -1,-0.3 -3,-0.7 76,-0.2 0.135 132.4 -87.6-105.9 18.9 -40.3 29.5 -3.9 49 49 A G T < 5 + 0 0 22 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.483 67.6 161.0 98.5 6.4 -41.2 30.9 -0.5 50 50 A L < - 0 0 13 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.3 -0.373 14.3-174.2 -61.1 131.5 -41.7 27.9 1.7 51 51 A Q > - 0 0 139 -2,-0.1 3,-2.5 4,-0.1 51,-0.1 -0.912 43.2 -79.2-118.7 154.7 -41.5 28.7 5.4 52 52 A V T 3 S+ 0 0 73 -2,-0.3 26,-0.2 1,-0.3 25,-0.1 -0.257 120.5 22.8 -55.5 132.3 -41.6 26.0 8.2 53 53 A G T 3 S+ 0 0 27 24,-2.8 -1,-0.3 1,-0.3 25,-0.2 0.146 90.8 131.7 96.0 -20.0 -45.2 24.8 8.7 54 54 A D < - 0 0 36 -3,-2.5 25,-2.6 1,-0.1 -1,-0.3 -0.336 57.0-119.1 -63.8 147.1 -46.4 25.9 5.2 55 55 A R E -g 79 0B 29 45,-0.4 47,-2.4 44,-0.2 48,-1.3 -0.657 15.9-156.9 -87.5 142.9 -48.4 23.5 3.2 56 56 A V E -gh 80 103B 0 23,-2.3 25,-2.8 -2,-0.3 2,-0.4 -0.985 12.7-157.1-115.1 113.5 -47.3 22.2 -0.2 57 57 A A E -gh 81 104B 0 46,-2.5 48,-3.1 -2,-0.5 2,-0.4 -0.799 10.8-170.7 -93.8 131.7 -50.3 21.0 -2.2 58 58 A A E +gh 82 105B 4 23,-2.4 25,-2.6 -2,-0.4 2,-0.4 -0.979 20.1 169.2-131.4 120.1 -49.5 18.5 -5.0 59 59 A Q E + h 0 106B 7 46,-2.9 48,-0.6 -2,-0.4 2,-0.3 -0.899 35.5 130.9-122.5 98.8 -51.8 17.1 -7.7 60 60 A T - 0 0 15 -2,-0.4 25,-0.1 23,-0.3 69,-0.1 -0.949 60.8 -92.4-142.6 162.5 -49.6 15.2 -10.2 61 61 A E - 0 0 76 67,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.378 62.6 -84.4 -68.3 156.5 -49.4 11.9 -12.0 62 62 A X + 0 0 24 167,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.482 68.9 133.6 -73.6 130.7 -47.4 9.3 -10.2 63 63 A S > - 0 0 12 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.957 68.4 -99.8-161.1 167.1 -43.7 9.4 -10.7 64 64 A V H > S+ 0 0 7 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.863 122.8 59.8 -63.1 -33.8 -40.5 9.2 -8.6 65 65 A E H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.894 103.6 50.8 -60.0 -39.4 -40.3 13.0 -8.9 66 66 A A H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.874 109.8 49.2 -65.5 -39.6 -43.7 13.2 -7.1 67 67 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.907 108.9 53.4 -63.3 -42.5 -42.5 10.9 -4.3 68 68 A V H X S+ 0 0 3 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.880 103.0 57.4 -59.8 -40.0 -39.4 13.1 -4.0 69 69 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.889 106.3 50.1 -58.5 -40.7 -41.6 16.1 -3.6 70 70 A Y H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 5,-0.2 0.962 114.0 43.8 -58.4 -53.1 -43.2 14.4 -0.6 71 71 A L H X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.900 114.3 50.1 -62.0 -41.5 -39.9 13.7 1.0 72 72 A A H X S+ 0 0 0 -4,-3.2 4,-2.2 2,-0.2 6,-0.2 0.872 108.4 52.4 -65.1 -40.7 -38.5 17.2 0.2 73 73 A T H <>S+ 0 0 0 -4,-2.3 5,-2.5 -5,-0.2 -1,-0.2 0.937 113.1 43.5 -60.8 -49.2 -41.5 18.9 1.7 74 74 A V H ><5S+ 0 0 2 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.924 112.9 53.6 -62.2 -45.7 -41.2 17.0 4.9 75 75 A R H 3<5S+ 0 0 21 -4,-2.6 75,-2.5 1,-0.3 -2,-0.2 0.866 106.6 52.1 -56.5 -40.2 -37.4 17.5 4.9 76 76 A A T 3<5S- 0 0 5 -4,-2.2 -1,-0.3 73,-0.2 -2,-0.2 0.328 122.2-103.4 -83.2 6.2 -37.9 21.3 4.6 77 77 A G T < 5S+ 0 0 0 -3,-1.7 -24,-2.8 1,-0.2 -3,-0.2 0.587 80.1 132.5 83.2 10.5 -40.2 21.5 7.5 78 78 A G < - 0 0 0 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.2 -0.218 61.1-113.7 -84.4 179.6 -43.3 21.9 5.3 79 79 A V E -g 55 0B 4 -25,-2.6 -23,-2.3 -3,-0.1 80,-0.3 -0.964 29.2-137.6-121.9 111.0 -46.6 20.0 5.5 80 80 A Y E -gi 56 159B 5 78,-2.5 80,-2.4 -2,-0.5 -23,-0.2 -0.532 20.5-176.4 -80.8 131.3 -47.2 17.8 2.5 81 81 A L E -g 57 0B 0 -25,-2.8 -23,-2.4 -2,-0.3 2,-0.2 -0.814 4.1-170.5-131.3 88.3 -50.7 17.8 1.0 82 82 A P E -g 58 0B 5 0, 0.0 80,-0.5 0, 0.0 2,-0.4 -0.528 8.2-156.6 -79.2 149.9 -51.3 15.4 -1.8 83 83 A L - 0 0 8 -25,-2.6 -23,-0.3 -2,-0.2 124,-0.1 -0.993 30.1 -90.1-134.0 135.4 -54.5 15.6 -3.8 84 84 A N > - 0 0 27 -2,-0.4 3,-1.8 122,-0.2 -25,-0.0 -0.109 33.3-133.6 -41.0 125.0 -56.4 13.0 -5.8 85 85 A T T 3 S+ 0 0 27 1,-0.3 -1,-0.2 -25,-0.1 -24,-0.1 0.698 102.7 56.4 -58.1 -23.1 -55.2 13.2 -9.4 86 86 A A T 3 S+ 0 0 60 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.519 74.4 122.4 -90.5 -8.4 -58.8 13.2 -10.7 87 87 A Y < - 0 0 29 -3,-1.8 -4,-0.0 4,-0.1 2,-0.0 -0.353 59.1-131.7 -60.1 132.1 -60.1 16.2 -8.8 88 88 A T > - 0 0 71 1,-0.1 4,-2.9 -2,-0.1 5,-0.2 -0.254 26.6 -99.6 -76.0 168.4 -61.4 18.9 -11.2 89 89 A L H > S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.911 126.3 51.6 -54.3 -45.0 -60.5 22.6 -11.0 90 90 A H H > S+ 0 0 160 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.911 111.4 46.2 -59.4 -45.4 -63.8 23.2 -9.1 91 91 A E H >> S+ 0 0 83 1,-0.2 4,-1.1 2,-0.2 3,-0.8 0.906 108.8 55.9 -64.7 -41.4 -63.0 20.4 -6.6 92 92 A L H 3X S+ 0 0 3 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.836 94.9 68.2 -59.5 -35.7 -59.4 21.7 -6.1 93 93 A D H 3X S+ 0 0 35 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.870 98.7 50.8 -52.0 -42.0 -60.7 25.1 -5.2 94 94 A Y H - 0 0 22 -48,-0.6 3,-2.0 -2,-0.2 4,-0.3 -0.503 43.2-122.1 -69.0 140.9 -49.7 18.9 -14.1 108 108 A P G > S+ 0 0 61 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.822 110.5 62.0 -52.4 -35.2 -48.4 21.3 -16.8 109 109 A S G 3 S+ 0 0 96 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.630 109.3 41.0 -69.1 -14.1 -51.6 20.9 -18.8 110 110 A X G <> S+ 0 0 85 -3,-2.0 4,-2.4 1,-0.1 5,-0.3 0.316 80.4 108.3-113.4 7.3 -53.6 22.4 -15.9 111 111 A R H <> S+ 0 0 97 -3,-1.2 4,-3.0 -4,-0.3 5,-0.2 0.899 76.5 51.9 -58.7 -47.3 -51.3 25.3 -14.9 112 112 A D H > S+ 0 0 144 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.930 114.7 41.9 -54.2 -51.8 -53.4 28.1 -16.2 113 113 A G H > S+ 0 0 26 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.893 117.0 47.1 -63.1 -41.9 -56.6 27.0 -14.4 114 114 A I H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.854 104.1 62.3 -71.4 -33.2 -54.8 26.1 -11.1 115 115 A A H X S+ 0 0 30 -4,-3.0 4,-2.0 -5,-0.3 -1,-0.2 0.877 101.4 52.8 -57.0 -39.4 -52.9 29.4 -11.2 116 116 A A H X S+ 0 0 68 -4,-1.2 4,-0.7 2,-0.2 -1,-0.2 0.900 112.8 43.3 -64.7 -40.6 -56.3 31.2 -10.9 117 117 A I H >< S+ 0 0 14 -4,-1.2 3,-1.2 1,-0.2 4,-0.5 0.939 111.9 53.7 -67.0 -48.7 -57.2 29.1 -7.8 118 118 A A H >X>S+ 0 0 1 -4,-3.3 5,-2.3 1,-0.3 3,-1.3 0.841 98.9 64.6 -55.1 -36.6 -53.7 29.5 -6.3 119 119 A A H ><5S+ 0 0 75 -4,-2.0 3,-0.6 1,-0.3 -1,-0.3 0.816 89.9 66.6 -57.6 -32.7 -54.0 33.3 -6.7 120 120 A X T <<5S+ 0 0 168 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.764 114.7 28.4 -61.8 -27.4 -56.8 33.4 -4.1 121 121 A V T <45S- 0 0 41 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.315 113.1-111.0-117.1 5.6 -54.4 32.3 -1.4 122 122 A G T <<5 + 0 0 43 -4,-0.6 -3,-0.2 -3,-0.6 2,-0.2 0.743 60.7 161.4 74.4 25.4 -51.2 33.8 -2.8 123 123 A A < - 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