==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE,ISOMERASE 02-MAR-11 3QXZ . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE/ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ABSCESSUS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 765 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 552 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 3.9 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 . 0 0.0 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 . 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 . 38 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 271 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.1 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 0 4 3 0 0 0 1 2 0 0 3 6 3 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 5 3 6 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 PARALLEL BRIDGES PER LADDER . 3 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 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 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 2 A V 0 0 110 0, 0.0 2,-0.5 0, 0.0 20,-0.2 0.000 360.0 360.0 360.0 136.7 72.2 1.4 17.0 2 3 A T - 0 0 10 22,-0.1 17,-0.3 17,-0.1 2,-0.2 -0.995 360.0-153.6-116.7 123.3 72.9 3.9 14.3 3 4 A E E -A 18 0A 106 15,-3.0 15,-3.2 -2,-0.5 2,-0.5 -0.531 10.4-130.7 -93.1 159.5 76.6 4.7 14.0 4 5 A L E -A 17 0A 27 13,-0.2 2,-0.3 -2,-0.2 13,-0.2 -0.965 23.7-164.8-108.7 118.3 78.3 7.8 12.8 5 6 A H E -A 16 0A 77 11,-2.8 11,-2.4 -2,-0.5 2,-0.4 -0.759 3.6-165.2-100.6 151.0 81.0 7.1 10.2 6 7 A E E +A 15 0A 75 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.999 13.4 172.1-140.7 134.1 83.6 9.7 9.2 7 8 A E E -A 14 0A 137 7,-1.9 7,-3.2 -2,-0.4 2,-0.5 -0.979 10.9-164.6-141.0 129.8 86.1 10.1 6.3 8 9 A I E +A 13 0A 71 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.970 18.8 159.1-117.0 125.2 88.3 13.1 5.5 9 10 A R E > -A 12 0A 43 3,-2.5 3,-2.0 -2,-0.5 -2,-0.0 -0.970 63.7 -13.1-148.5 130.4 90.0 13.4 2.1 10 11 A D T 3 S- 0 0 145 -2,-0.3 3,-0.1 1,-0.3 186,-0.1 0.855 128.6 -46.7 50.3 45.7 91.3 16.4 0.2 11 12 A G T 3 S+ 0 0 16 1,-0.2 37,-2.7 37,-0.1 38,-1.4 0.398 117.2 105.8 85.2 -2.5 89.7 19.0 2.5 12 13 A V E < -Ab 9 49A 4 -3,-2.0 -3,-2.5 36,-0.2 2,-0.5 -0.954 51.6-159.3-118.1 124.2 86.2 17.4 2.5 13 14 A A E -Ab 8 50A 0 36,-2.6 38,-3.3 -2,-0.5 2,-0.5 -0.888 6.6-159.6 -98.9 128.5 84.8 15.5 5.5 14 15 A V E -Ab 7 51A 24 -7,-3.2 -7,-1.9 -2,-0.5 2,-0.5 -0.952 3.5-166.7-110.7 121.0 82.0 13.0 4.9 15 16 A L E -Ab 6 52A 0 36,-3.0 38,-2.7 -2,-0.5 2,-0.5 -0.934 7.9-163.3-102.5 127.4 79.8 12.0 7.8 16 17 A T E -Ab 5 53A 32 -11,-2.4 -11,-2.8 -2,-0.5 2,-0.7 -0.959 17.0-142.2-118.9 126.3 77.5 9.0 7.3 17 18 A L E -Ab 4 54A 6 36,-2.6 38,-2.7 -2,-0.5 2,-0.6 -0.771 29.2-169.1 -82.1 114.0 74.5 8.1 9.4 18 19 A H E +A 3 0A 57 -15,-3.2 -15,-3.0 -2,-0.7 42,-0.0 -0.852 35.2 126.1-122.9 95.9 74.8 4.3 9.4 19 20 A G > > + 0 0 0 -2,-0.6 5,-2.8 -17,-0.3 3,-1.9 -0.521 22.5 174.8-144.8 73.3 72.0 2.1 10.7 20 21 A P G > 5S+ 0 0 92 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.825 77.9 56.3 -52.8 -39.2 71.0 -0.4 8.0 21 22 A S G 3 5S+ 0 0 108 1,-0.2 -19,-0.1 -20,-0.2 -2,-0.0 0.677 120.3 28.7 -69.2 -17.0 68.5 -2.3 10.2 22 23 A T G < 5S- 0 0 46 -3,-1.9 39,-0.3 -21,-0.2 -1,-0.2 0.151 113.3-100.9-130.6 20.3 66.5 0.9 10.9 23 24 A R T < 5S- 0 0 133 -3,-0.9 38,-1.9 -4,-0.4 39,-0.2 0.914 84.2 -56.5 52.7 44.7 67.0 3.1 7.8 24 25 A N S - 0 0 31 -2,-0.3 4,-2.3 36,-0.1 5,-0.2 -0.938 41.9-111.8-133.5 161.1 69.1 8.1 18.5 28 29 A V H > S+ 0 0 94 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.921 119.7 49.8 -57.2 -46.8 70.2 10.2 21.4 29 30 A E H > S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.889 107.2 53.7 -62.2 -40.0 73.7 8.8 21.2 30 31 A L H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 108.4 51.0 -59.5 -42.3 73.9 9.5 17.4 31 32 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 55,-0.3 0.902 109.4 50.0 -62.3 -40.6 72.9 13.1 18.2 32 33 A R H X S+ 0 0 153 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.928 113.6 45.9 -60.4 -46.9 75.7 13.4 20.8 33 34 A Q H X S+ 0 0 88 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.866 111.2 51.8 -65.8 -38.0 78.2 12.0 18.3 34 35 A L H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.915 110.7 47.7 -68.4 -42.5 77.0 14.3 15.4 35 36 A G H X S+ 0 0 2 -4,-2.2 4,-2.2 49,-0.2 -2,-0.2 0.929 112.7 49.1 -61.4 -44.9 77.3 17.4 17.5 36 37 A A H X S+ 0 0 60 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.892 111.8 49.1 -62.4 -39.9 80.8 16.4 18.7 37 38 A A H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.913 108.3 53.1 -67.3 -44.3 81.9 15.7 15.1 38 39 A Y H X S+ 0 0 4 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.928 111.9 46.4 -53.7 -46.7 80.6 19.0 13.9 39 40 A Q H X S+ 0 0 78 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.946 115.1 44.2 -65.3 -46.4 82.6 20.8 16.6 40 41 A R H X S+ 0 0 118 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.920 115.8 47.2 -64.6 -44.0 85.8 18.9 15.9 41 42 A L H < S+ 0 0 0 -4,-2.9 6,-0.3 1,-0.2 -1,-0.2 0.866 109.6 53.8 -68.8 -35.8 85.6 19.2 12.2 42 43 A D H < S+ 0 0 9 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.920 110.7 47.2 -61.0 -41.4 84.8 22.9 12.4 43 44 A D H < S+ 0 0 89 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.704 90.0 95.2 -73.4 -21.6 88.0 23.4 14.5 44 45 A D >< - 0 0 53 -4,-1.2 3,-1.7 -3,-0.2 -4,-0.0 -0.619 63.6-156.9 -76.6 112.9 90.1 21.3 12.0 45 46 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.756 90.3 62.7 -64.4 -21.7 91.8 23.8 9.7 46 47 A A T 3 S+ 0 0 64 1,-0.1 2,-0.7 2,-0.0 -2,-0.1 0.610 85.7 85.5 -76.8 -15.2 92.3 21.1 7.1 47 48 A V < + 0 0 5 -3,-1.7 -35,-0.2 -6,-0.3 3,-0.1 -0.819 46.6 168.6 -96.1 111.4 88.5 20.6 6.7 48 49 A R + 0 0 35 -37,-2.7 2,-0.3 -2,-0.7 -36,-0.2 0.756 67.6 12.6 -89.0 -31.2 87.0 23.0 4.2 49 50 A V E -b 12 0A 0 -38,-1.4 -36,-2.6 45,-0.1 2,-0.5 -0.991 61.9-145.4-150.0 144.8 83.5 21.5 3.9 50 51 A I E -bc 13 96A 0 45,-2.6 47,-2.6 -2,-0.3 2,-0.5 -0.960 11.5-162.5-112.5 129.5 81.4 18.9 5.7 51 52 A V E -bc 14 97A 0 -38,-3.3 -36,-3.0 -2,-0.5 2,-0.5 -0.969 4.8-159.4-111.0 125.0 79.0 16.6 3.8 52 53 A L E +bc 15 98A 3 45,-2.5 47,-2.9 -2,-0.5 2,-0.3 -0.909 25.4 151.5-103.8 128.9 76.3 14.8 5.8 53 54 A T E -bc 16 99A 4 -38,-2.7 -36,-2.6 -2,-0.5 2,-0.3 -0.893 33.8-119.4-148.1 170.7 74.8 11.7 4.2 54 55 A G E -b 17 0A 3 45,-0.5 -36,-0.2 -2,-0.3 6,-0.1 -0.883 33.0 -99.0-118.0 154.3 73.1 8.4 5.1 55 56 A A S > S- 0 0 12 -38,-2.7 3,-1.3 -2,-0.3 -36,-0.2 -0.538 74.2 -65.8 -63.6 125.6 73.9 4.7 4.4 56 57 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -32,-0.1 -0.197 115.9 29.5 -55.7 149.0 71.6 3.8 1.4 57 58 A P T 3 S+ 0 0 88 0, 0.0 46,-0.5 0, 0.0 2,-0.2 -0.978 120.9 36.1 -92.8 5.3 68.7 3.5 0.8 58 59 A A E < -g 103 0C 0 -3,-1.3 43,-0.2 44,-0.2 46,-0.1 -0.725 50.2-152.5-116.8 162.8 67.9 6.2 3.4 59 60 A F E S- 0 0 2 44,-2.0 2,-0.3 -2,-0.2 -4,-0.3 0.857 84.1 -35.1 -86.8 -67.1 69.2 9.5 4.8 60 61 A C E -g 104 0C 2 43,-2.2 45,-2.1 42,-0.2 -36,-0.2 -0.853 43.6-156.1-161.6 118.2 67.6 9.2 8.3 61 62 A S - 0 0 33 -38,-1.9 -36,-0.2 -2,-0.3 -37,-0.1 0.448 44.3-136.0 -76.8 -0.5 64.2 7.7 9.2 62 63 A G + 0 0 1 -38,-0.4 -36,-1.7 -39,-0.2 -1,-0.2 -0.367 55.2 6.0 80.9-161.0 64.0 9.8 12.4 63 64 A A B S-f 26 0B 54 -38,-0.2 2,-0.9 1,-0.1 -36,-0.1 -0.254 77.1-109.0 -60.4 141.9 62.9 8.7 15.9 64 65 A Q - 0 0 70 -38,-0.6 3,-0.2 1,-0.2 -1,-0.1 -0.663 35.3-169.9 -69.8 102.7 62.2 5.1 16.5 65 66 A I S > S+ 0 0 43 -2,-0.9 3,-2.3 1,-0.2 4,-0.2 0.931 82.2 53.2 -67.5 -47.9 58.4 5.2 16.9 66 67 A S T 3 S+ 0 0 95 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.791 113.7 47.0 -56.7 -27.9 57.9 1.6 18.2 67 68 A A T 3 S+ 0 0 65 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.317 102.7 65.6 -95.2 6.7 60.5 2.5 20.8 68 69 A A X + 0 0 31 -3,-2.3 3,-0.8 1,-0.1 -1,-0.2 0.180 62.6 103.7-119.5 17.4 59.0 5.9 21.8 69 70 A A T 3 S+ 0 0 17 -3,-0.4 687,-0.2 1,-0.2 -1,-0.1 0.819 91.3 33.1 -68.2 -32.8 55.6 5.0 23.4 70 71 A E T 3 S+ 0 0 93 -3,-0.2 2,-1.3 2,-0.1 -1,-0.2 -0.323 71.2 135.7-124.8 48.1 56.7 5.5 27.0 71 72 A T < - 0 0 83 -3,-0.8 -3,-0.0 680,-0.2 2,-0.0 -0.692 40.4-171.4 -96.1 79.2 59.2 8.3 26.7 72 73 A F - 0 0 138 -2,-1.3 2,-2.0 1,-0.1 675,-0.2 -0.300 36.6-106.2 -65.5 154.7 57.9 10.2 29.8 73 74 A A - 0 0 42 673,-0.4 -1,-0.1 670,-0.2 -2,-0.0 -0.560 51.5-174.8 -81.2 75.4 59.0 13.6 30.7 74 75 A A - 0 0 53 -2,-2.0 6,-0.2 1,-0.1 2,-0.2 -0.556 29.7-111.6 -73.9 134.1 61.0 12.3 33.7 75 76 A P + 0 0 129 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.496 59.0 139.6 -67.8 132.1 62.6 14.9 35.9 76 77 A R - 0 0 142 -2,-0.2 4,-0.1 4,-0.0 0, 0.0 -0.977 47.8 -95.4-163.0 164.1 66.4 14.8 35.5 77 78 A N S S+ 0 0 158 -2,-0.3 2,-0.1 1,-0.2 3,-0.0 -0.970 111.9 35.0-137.6 121.3 69.6 16.9 35.2 78 79 A P S S- 0 0 102 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.466 104.2-143.9 -68.2 149.1 70.6 17.6 32.5 79 80 A D - 0 0 83 1,-0.2 -2,-0.1 -2,-0.1 -5,-0.0 -0.210 24.7 -76.0 -79.7 169.1 67.1 17.8 31.3 80 81 A F - 0 0 49 -6,-0.2 2,-0.4 -4,-0.1 -1,-0.2 -0.290 45.0-159.2 -54.5 144.6 65.7 16.7 27.9 81 82 A S - 0 0 43 -3,-0.1 655,-0.1 1,-0.1 654,-0.0 -0.999 23.0-148.4-129.0 143.0 66.3 19.0 24.9 82 83 A A S S+ 0 0 3 -2,-0.4 57,-2.9 653,-0.3 58,-0.1 0.448 96.9 67.5 -81.7 0.2 64.4 19.3 21.6 83 84 A S + 0 0 13 55,-0.2 -1,-0.2 56,-0.2 652,-0.0 -0.764 61.5 167.3-116.1 79.6 67.7 20.2 20.0 84 85 A P + 0 0 39 0, 0.0 2,-0.5 0, 0.0 -49,-0.2 0.465 60.2 68.3 -80.7 0.9 69.7 16.9 20.4 85 86 A V S S- 0 0 3 -51,-0.1 -53,-0.1 -50,-0.1 4,-0.1 -0.964 76.4-155.9-121.8 112.6 72.5 18.0 18.0 86 87 A Q S S+ 0 0 129 -2,-0.5 2,-0.2 -55,-0.3 -47,-0.1 -0.998 73.5 34.8-139.4 130.0 74.7 20.8 19.4 87 88 A P S S- 0 0 22 0, 0.0 2,-0.2 0, 0.0 -49,-0.1 0.593 91.5-136.5 -69.9 160.1 76.3 22.7 17.9 88 89 A A > - 0 0 6 -2,-0.2 3,-2.1 1,-0.1 4,-0.4 -0.515 21.6-112.3 -78.4 153.2 73.9 23.0 14.9 89 90 A A G > S+ 0 0 0 1,-0.3 3,-1.5 22,-0.2 26,-0.1 0.860 116.7 60.4 -56.0 -36.6 75.5 22.9 11.5 90 91 A F G 3 S+ 0 0 0 1,-0.3 -1,-0.3 25,-0.1 122,-0.1 0.515 96.0 62.4 -74.1 -3.5 74.5 26.6 10.9 91 92 A E G < S+ 0 0 85 -3,-2.1 -1,-0.3 121,-0.0 -2,-0.2 0.510 88.8 95.3 -91.5 -9.1 76.6 27.7 13.9 92 93 A L S < S- 0 0 2 -3,-1.5 4,-0.1 -4,-0.4 -53,-0.1 -0.369 72.4-138.6 -83.6 160.0 79.8 26.5 12.3 93 94 A R S S+ 0 0 107 -2,-0.1 115,-0.2 2,-0.1 116,-0.2 0.729 87.0 82.5 -79.4 -22.0 82.4 28.4 10.3 94 95 A T S S- 0 0 12 -56,-0.1 -2,-0.2 1,-0.1 -45,-0.1 -0.684 88.7-113.8 -90.8 129.4 82.6 25.4 7.9 95 96 A P - 0 0 3 0, 0.0 -45,-2.6 0, 0.0 2,-0.4 -0.281 29.6-155.7 -58.4 142.5 80.1 25.0 5.1 96 97 A V E -c 50 0A 0 -47,-0.2 20,-1.8 18,-0.1 21,-1.3 -0.994 8.5-169.3-127.0 124.2 77.8 21.9 5.5 97 98 A I E -cd 51 117A 0 -47,-2.6 -45,-2.5 -2,-0.4 2,-0.7 -0.961 13.4-146.6-112.5 126.7 76.0 20.2 2.6 98 99 A A E -cd 52 118A 0 19,-2.9 21,-2.4 -2,-0.5 2,-1.2 -0.867 4.1-161.0 -94.3 112.4 73.4 17.6 3.3 99 100 A A E -cd 53 119A 0 -47,-2.9 2,-1.6 -2,-0.7 -45,-0.5 -0.801 10.8-165.3 -90.5 87.2 73.4 14.9 0.7 100 101 A V E + d 0 120A 0 19,-2.4 21,-1.9 -2,-1.2 24,-0.1 -0.632 13.4 174.8 -84.1 85.7 69.9 13.6 1.4 101 102 A N - 0 0 11 -2,-1.6 2,-0.3 19,-0.2 -1,-0.2 0.432 59.2 -25.2 -78.4 -3.6 70.2 10.3 -0.5 102 103 A G S S+ 0 0 4 1,-0.1 -44,-0.2 -46,-0.1 -42,-0.2 -0.932 107.0 11.8 179.8-157.8 66.9 8.9 0.5 103 104 A H E +g 58 0C 36 -46,-0.5 -43,-2.2 -2,-0.3 -44,-2.0 0.024 47.8 179.5 -47.1 132.6 64.1 9.0 3.2 104 105 A A E +gh 60 126C 0 21,-2.1 23,-1.4 -45,-0.2 2,-0.4 -0.923 12.2 171.9-136.9 107.5 64.4 11.8 5.7 105 106 A I E > - h 0 127C 18 -45,-2.1 3,-2.3 -2,-0.4 23,-0.2 -0.945 48.8 -31.8-125.6 136.0 61.6 11.8 8.2 106 107 A G T >> S+ 0 0 6 21,-2.3 4,-2.7 -2,-0.4 3,-0.9 -0.359 136.4 4.8 64.1-127.1 60.9 13.7 11.4 107 108 A I H 3> S+ 0 0 10 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.769 127.9 67.4 -64.0 -22.0 64.2 14.6 13.1 108 109 A G H <> S+ 0 0 1 -3,-2.3 4,-0.9 1,-0.2 -1,-0.3 0.912 110.4 35.0 -58.8 -41.7 65.9 13.1 10.1 109 110 A M H <> S+ 0 0 0 -3,-0.9 4,-1.8 18,-0.3 -2,-0.2 0.899 115.3 53.9 -77.8 -43.7 64.5 16.0 8.1 110 111 A T H < S+ 0 0 0 -4,-2.7 4,-0.2 1,-0.2 -2,-0.2 0.892 109.9 48.7 -66.0 -33.3 64.8 18.7 10.8 111 112 A L H >< S+ 0 0 11 -4,-2.5 3,-1.4 1,-0.2 4,-0.3 0.852 107.5 55.6 -67.5 -35.4 68.5 18.0 11.3 112 113 A A H >< S+ 0 0 0 -4,-0.9 3,-1.6 -5,-0.3 -2,-0.2 0.850 96.8 65.9 -63.6 -30.4 69.0 18.1 7.5 113 114 A L T 3< S+ 0 0 2 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.607 88.0 68.8 -67.0 -10.8 67.4 21.6 7.7 114 115 A H T < S+ 0 0 4 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.720 81.7 95.6 -76.7 -22.0 70.5 22.8 9.7 115 116 A A S < S- 0 0 2 -3,-1.6 -18,-0.2 -4,-0.3 3,-0.1 -0.274 78.0-130.8 -69.3 155.0 72.7 22.4 6.6 116 117 A D S S+ 0 0 0 -20,-1.8 2,-0.4 1,-0.2 299,-0.3 0.884 92.6 22.5 -65.7 -38.9 73.6 25.3 4.3 117 118 A I E -d 97 0A 0 -21,-1.3 -19,-2.9 297,-0.1 2,-0.4 -0.974 68.2-161.7-137.6 137.9 72.7 23.4 1.2 118 119 A R E -d 98 0A 1 -2,-0.4 58,-2.6 -21,-0.2 59,-1.1 -0.994 6.5-172.0-126.6 132.7 70.5 20.3 0.6 119 120 A I E -de 99 177A 2 -21,-2.4 -19,-2.4 -2,-0.4 2,-0.4 -0.996 21.6-158.7-118.0 123.7 70.4 17.9 -2.4 120 121 A L E -de 100 178A 0 57,-2.5 59,-2.1 -2,-0.5 2,-0.4 -0.838 17.4-117.9-111.7 144.8 67.5 15.5 -2.2 121 122 A A E > - 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