==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 24-DEC-04 1YDN . COMPND 2 MOLECULE: HYDROXYMETHYLGLUTARYL-COA LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA MELITENSIS; . AUTHOR F.FOROUHAR,M.ABASHIDZE,M.HUSSAIN,S.M.VOROBIEV,R.XIAO,M.CIANO . 1132 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 830 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 172 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 1.9 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 61 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 383 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 3.2 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 4 0 0 8 0 4 4 5 7 0 4 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 16 0 4 8 8 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 PARALLEL BRIDGES PER LADDER . 5 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 A 0 0 118 0, 0.0 2,-0.3 0, 0.0 260,-0.1 0.000 360.0 360.0 360.0 155.6 8.8 49.2 15.8 2 3 A E - 0 0 96 258,-0.3 260,-2.2 1,-0.1 2,-0.3 -0.569 360.0-132.3 -77.4 134.6 10.1 46.6 18.2 3 4 A H B -a 262 0A 134 -2,-0.3 2,-0.4 258,-0.2 260,-0.2 -0.706 20.6-173.1 -92.5 137.1 11.2 47.9 21.6 4 5 A V - 0 0 0 258,-2.6 2,-0.3 -2,-0.3 222,-0.2 -0.993 9.6-154.7-129.8 126.8 14.4 47.1 23.4 5 6 A E E -b 226 0B 62 220,-2.5 222,-1.9 -2,-0.4 2,-0.4 -0.699 2.4-158.4-102.8 152.0 15.3 48.1 26.9 6 7 A I E -b 227 0B 4 -2,-0.3 2,-0.6 257,-0.2 35,-0.5 -0.990 9.3-146.6-129.0 138.2 18.6 48.6 28.5 7 8 A V E -b 228 0B 2 220,-1.9 222,-1.6 -2,-0.4 2,-0.2 -0.917 27.1-126.2-103.1 122.2 19.4 48.6 32.2 8 9 A E E +bc 229 42B 1 33,-1.3 35,-1.4 -2,-0.6 222,-0.2 -0.508 29.2 177.4 -73.0 134.3 22.2 51.0 33.1 9 10 A X >>> + 0 0 0 220,-2.4 5,-2.6 -2,-0.2 3,-0.7 0.569 53.6 95.6-110.8 -17.6 25.2 49.5 34.9 10 11 A A T 34>S+ 0 0 0 219,-0.5 5,-1.7 1,-0.2 6,-0.1 0.837 82.7 53.7 -44.8 -46.4 27.6 52.5 35.3 11 12 A A T 345S+ 0 0 3 3,-0.2 -1,-0.2 4,-0.1 33,-0.1 0.863 130.9 5.7 -63.1 -40.0 26.5 53.5 38.7 12 13 A R T <>5S+ 0 0 14 -3,-0.7 4,-2.3 31,-0.4 5,-0.2 0.813 136.9 35.9-108.0 -67.3 26.9 50.1 40.4 13 14 A D H X5S+ 0 0 13 -4,-0.5 4,-1.0 2,-0.2 -3,-0.2 0.837 123.7 46.5 -58.1 -35.7 28.5 47.5 38.1 14 15 A G H >44> - 0 0 64 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.185 27.3-121.3 -50.6 139.5 33.2 61.0 45.6 24 25 A T H 3> S+ 0 0 41 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.882 114.2 53.7 -50.9 -45.2 29.6 60.5 46.8 25 26 A A H 3> S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.858 108.7 50.5 -58.7 -37.1 28.6 63.9 45.3 26 27 A D H <> S+ 0 0 57 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.869 107.9 51.2 -70.8 -37.1 30.0 62.7 42.0 27 28 A K H X S+ 0 0 5 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.929 112.1 48.4 -63.9 -44.7 28.1 59.4 42.1 28 29 A I H X S+ 0 0 31 -4,-2.5 4,-2.0 1,-0.2 39,-0.2 0.881 111.1 49.1 -62.3 -40.7 24.9 61.4 42.8 29 30 A A H X S+ 0 0 29 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.898 111.0 51.7 -66.8 -37.6 25.6 63.8 39.9 30 31 A L H X S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.874 110.7 46.5 -66.8 -39.2 26.2 60.8 37.6 31 32 A I H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.866 107.4 57.3 -71.7 -36.3 23.0 59.1 38.6 32 33 A N H < S+ 0 0 49 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.837 108.2 47.5 -63.3 -35.7 21.0 62.3 38.1 33 34 A R H >< S+ 0 0 112 -4,-1.5 3,-1.6 2,-0.2 -1,-0.2 0.939 109.9 51.5 -72.1 -45.2 22.2 62.6 34.5 34 35 A L H ><>S+ 0 0 0 -4,-1.8 3,-2.1 1,-0.3 5,-0.6 0.876 102.4 61.9 -57.3 -37.8 21.4 59.0 33.8 35 36 A S T 3<5S+ 0 0 8 -4,-2.1 3,-0.3 1,-0.3 -1,-0.3 0.706 102.0 51.6 -61.7 -21.9 17.9 59.6 35.1 36 37 A D T < 5S+ 0 0 80 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.242 91.5 80.1 -97.7 10.1 17.3 62.2 32.4 37 38 A C T < 5S- 0 0 1 -3,-2.1 229,-2.5 232,-0.1 233,-0.2 0.751 109.3-104.4 -89.1 -23.1 18.4 59.8 29.7 38 39 A G T 5 + 0 0 38 -4,-0.5 -3,-0.1 -3,-0.3 -2,-0.1 0.528 63.6 152.8 113.3 8.5 15.1 57.8 29.5 39 40 A Y < - 0 0 5 -5,-0.6 -1,-0.2 1,-0.1 3,-0.1 -0.317 36.4-155.7 -66.4 151.4 16.0 54.6 31.3 40 41 A A S S+ 0 0 16 -34,-0.4 33,-3.0 1,-0.3 2,-0.4 0.748 83.6 30.9 -95.6 -32.5 13.1 52.6 32.9 41 42 A R E + d 0 73B 18 -35,-0.5 -33,-1.3 31,-0.2 2,-0.4 -0.977 62.0 177.2-129.8 139.2 15.6 51.0 35.3 42 43 A I E -cd 8 74B 0 31,-2.4 33,-2.4 -2,-0.4 2,-1.2 -0.994 26.8-137.8-139.8 130.6 18.9 52.1 36.9 43 44 A E E - d 0 75B 0 -35,-1.4 -31,-0.4 -2,-0.4 33,-0.2 -0.772 23.9-174.3 -92.2 96.5 20.9 50.1 39.4 44 45 A A E - 0 0 3 31,-1.3 2,-0.3 -2,-1.2 32,-0.2 0.779 51.4 -42.6 -61.5 -38.4 21.9 52.9 41.8 45 46 A T E - d 0 76B 0 30,-0.8 32,-1.9 17,-0.0 2,-0.4 -0.948 52.7-101.3-171.4-169.7 24.2 51.0 44.1 46 47 A S E - d 0 77B 0 -2,-0.3 2,-0.4 10,-0.3 13,-0.2 -0.997 8.4-149.2-137.9 140.2 24.9 47.9 46.1 47 48 A F + 0 0 16 30,-2.1 2,-0.3 -2,-0.4 33,-0.2 -0.426 55.2 131.6-103.7 54.3 24.6 47.2 49.9 48 49 A V S S- 0 0 25 -2,-0.4 5,-0.1 1,-0.1 11,-0.1 -0.747 71.7 -61.1-106.7 154.5 27.4 44.7 50.0 49 50 A S >> - 0 0 51 -2,-0.3 4,-1.3 1,-0.2 3,-0.9 0.011 40.8-141.4 -34.5 122.2 30.3 44.6 52.5 50 51 A P T 34 S+ 0 0 66 0, 0.0 7,-0.2 0, 0.0 -1,-0.2 0.673 102.0 57.3 -63.9 -18.0 32.3 47.8 52.3 51 52 A K T 34 S+ 0 0 180 2,-0.2 -2,-0.1 1,-0.2 6,-0.0 0.749 108.0 44.4 -84.9 -25.8 35.4 45.8 52.8 52 53 A W T <4 S+ 0 0 147 -3,-0.9 -1,-0.2 1,-0.2 -3,-0.1 0.658 136.7 12.7 -89.8 -17.5 34.8 43.6 49.8 53 54 A V >< + 0 0 6 -4,-1.3 3,-1.2 -5,-0.1 -1,-0.2 -0.538 64.2 170.4-159.4 79.4 33.8 46.6 47.6 54 55 A P G > + 0 0 71 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.723 69.5 82.3 -65.9 -21.2 34.8 49.9 49.2 55 56 A Q G 3 S+ 0 0 28 1,-0.3 -33,-0.3 -39,-0.2 3,-0.2 0.820 101.9 33.2 -54.3 -32.0 33.9 51.6 45.9 56 57 A L G X S+ 0 0 3 -3,-1.2 3,-1.7 1,-0.2 -1,-0.3 0.112 77.4 119.9-113.8 22.7 30.2 51.6 47.0 57 58 A A T < S+ 0 0 47 -3,-1.8 3,-0.4 1,-0.3 -1,-0.2 0.725 73.0 62.2 -58.7 -20.3 30.5 52.0 50.7 58 59 A D T 3> + 0 0 9 -4,-0.3 4,-2.6 -3,-0.2 -1,-0.3 0.066 64.8 123.8 -93.7 26.1 28.5 55.2 50.4 59 60 A S H <> S+ 0 0 6 -3,-1.7 4,-1.9 -13,-0.2 -1,-0.2 0.812 71.9 53.3 -54.6 -33.4 25.5 53.3 49.0 60 61 A R H > S+ 0 0 133 -3,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.914 110.2 44.0 -70.9 -46.0 23.3 54.7 51.8 61 62 A E H > S+ 0 0 96 2,-0.2 4,-2.5 -3,-0.2 3,-0.4 0.925 111.4 56.3 -65.4 -44.3 24.1 58.4 51.1 62 63 A V H >X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 3,-0.6 0.962 105.8 48.2 -51.3 -60.2 23.7 57.9 47.4 63 64 A X H 3< S+ 0 0 4 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.776 115.9 47.7 -52.7 -27.8 20.2 56.5 47.6 64 65 A A H 3< S+ 0 0 83 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.810 114.3 43.2 -85.0 -32.6 19.4 59.5 49.9 65 66 A G H << S+ 0 0 41 -4,-2.5 -2,-0.2 -3,-0.6 -3,-0.2 0.726 92.8 96.3 -85.6 -23.3 21.0 62.2 47.7 66 67 A I S < S- 0 0 10 -4,-2.4 2,-0.4 -5,-0.2 -37,-0.1 -0.255 74.8-124.3 -64.7 151.7 19.7 61.0 44.3 67 68 A R - 0 0 137 -39,-0.2 2,-0.9 2,-0.0 -1,-0.1 -0.859 17.9-130.9-100.8 138.0 16.5 62.5 42.9 68 69 A R - 0 0 85 -2,-0.4 5,-0.0 1,-0.2 -36,-0.0 -0.783 10.7-163.2 -91.6 102.9 13.6 60.2 42.1 69 70 A A - 0 0 35 -2,-0.9 -1,-0.2 1,-0.2 4,-0.1 0.623 28.4-142.6 -58.0 -10.2 12.4 61.0 38.6 70 71 A D S S+ 0 0 152 2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.196 93.3 68.4 67.3 -18.4 9.3 58.9 39.7 71 72 A G S S+ 0 0 62 -2,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.284 93.1 74.0-106.1 5.3 9.0 57.4 36.3 72 73 A V S S- 0 0 15 -31,-0.0 2,-0.6 2,-0.0 -2,-0.3 -0.958 75.3-136.9-123.1 136.1 12.2 55.5 36.8 73 74 A R E -d 41 0B 100 -33,-3.0 -31,-2.4 -2,-0.4 2,-0.6 -0.817 13.8-156.5 -95.6 124.3 12.9 52.5 39.0 74 75 A Y E -d 42 0B 0 -2,-0.6 19,-2.6 -33,-0.2 20,-1.1 -0.890 16.6-175.2-102.7 114.6 16.0 52.6 41.1 75 76 A S E -de 43 94B 4 -33,-2.4 -31,-1.3 -2,-0.6 -30,-0.8 -0.678 9.8-155.8-107.4 163.0 17.3 49.1 42.1 76 77 A V E -de 45 95B 0 18,-1.4 20,-1.3 -2,-0.2 2,-0.3 -0.983 22.9-112.0-139.1 148.1 20.1 48.0 44.3 77 78 A L E -de 46 96B 8 -32,-1.9 -30,-2.1 -2,-0.3 20,-0.2 -0.615 30.7-159.9 -79.3 139.5 22.2 44.8 44.5 78 79 A V - 0 0 0 18,-3.0 20,-0.4 -2,-0.3 -30,-0.1 -0.976 18.1-177.4-129.8 118.0 21.6 42.7 47.6 79 80 A P S S- 0 0 13 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.732 70.3 -17.7 -82.2 -26.5 24.1 40.0 48.9 80 81 A N S > S- 0 0 33 -33,-0.2 4,-2.1 44,-0.1 3,-0.1 -0.911 82.6 -71.6-162.3-172.8 22.1 38.8 51.8 81 82 A X H > S+ 0 0 74 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.893 125.7 57.0 -63.3 -40.4 19.2 39.5 54.2 82 83 A K H > S+ 0 0 145 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.899 109.0 48.5 -57.9 -38.0 21.2 42.2 56.0 83 84 A G H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 105.4 56.9 -68.5 -40.6 21.5 43.9 52.6 84 85 A Y H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.908 104.7 52.6 -58.0 -42.7 17.8 43.6 51.9 85 86 A E H X S+ 0 0 123 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.919 110.1 47.3 -58.8 -45.9 17.0 45.5 55.0 86 87 A A H X S+ 0 0 16 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.899 111.5 51.8 -62.5 -40.5 19.3 48.4 54.1 87 88 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 -2,-0.2 0.881 110.4 47.9 -64.3 -38.4 17.8 48.4 50.6 88 89 A A H ><5S+ 0 0 38 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.835 112.1 49.9 -70.9 -32.7 14.3 48.6 52.0 89 90 A A H 3<5S+ 0 0 71 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.845 106.7 55.1 -72.5 -35.1 15.4 51.4 54.3 90 91 A A T 3<5S- 0 0 13 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.337 116.1-117.2 -79.4 5.6 16.9 53.2 51.3 91 92 A H T < 5 - 0 0 141 -3,-0.8 -3,-0.2 1,-0.2 2,-0.2 0.926 43.5-172.8 58.4 47.3 13.5 53.0 49.6 92 93 A A < - 0 0 9 -5,-2.3 -17,-0.2 1,-0.1 -1,-0.2 -0.515 20.8-150.5 -72.3 140.4 14.8 50.9 46.8 93 94 A D S S+ 0 0 65 -19,-2.6 41,-0.7 1,-0.2 2,-0.3 0.845 77.5 8.0 -78.0 -37.1 12.2 50.4 44.0 94 95 A E E -ef 75 134B 20 -20,-1.1 -18,-1.4 39,-0.2 2,-0.3 -0.934 69.1-133.6-143.3 164.4 13.6 47.0 43.0 95 96 A I E -ef 76 135B 7 39,-3.3 41,-1.8 -2,-0.3 2,-0.3 -0.776 9.4-162.1-119.4 159.6 16.1 44.4 44.1 96 97 A A E -ef 77 136B 0 -20,-1.3 -18,-3.0 -2,-0.3 2,-0.3 -0.964 6.0-170.5-147.0 126.6 18.8 42.4 42.4 97 98 A V E - f 0 137B 0 39,-2.5 41,-2.4 -2,-0.3 2,-0.4 -0.736 11.0-145.2-112.8 163.4 20.6 39.2 43.6 98 99 A F E + f 0 138B 40 -20,-0.4 2,-0.3 -2,-0.3 41,-0.2 -0.983 22.6 156.5-139.0 145.9 23.6 37.4 42.2 99 100 A I E - f 0 139B 2 39,-2.4 41,-2.1 -2,-0.4 2,-0.3 -0.920 31.8-116.6-149.9 171.3 24.9 33.9 41.7 100 101 A S E - f 0 140B 0 -2,-0.3 41,-0.2 39,-0.3 17,-0.1 -0.887 5.0-148.9-119.7 150.1 27.4 32.2 39.4 101 102 A A S S+ 0 0 6 39,-2.5 2,-0.5 -2,-0.3 40,-0.1 0.551 87.2 75.3 -86.6 -10.5 26.9 29.4 36.9 102 103 A S > - 0 0 2 38,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.916 68.9-153.8-108.3 125.1 30.5 28.3 37.7 103 104 A E H > S+ 0 0 86 -2,-0.5 4,-2.0 1,-0.2 9,-0.2 0.864 97.3 52.1 -59.2 -41.0 31.4 26.5 41.0 104 105 A G H 4 S+ 0 0 14 1,-0.2 -1,-0.2 2,-0.2 5,-0.0 0.876 111.4 45.4 -66.1 -38.5 34.9 27.8 41.0 105 106 A F H >> S+ 0 0 22 2,-0.2 4,-1.6 1,-0.2 3,-1.0 0.853 110.4 55.7 -72.8 -33.8 33.9 31.4 40.6 106 107 A S H >X>S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.3 5,-1.5 0.959 108.0 44.5 -64.4 -53.4 31.2 31.1 43.2 107 108 A K H 3<5S+ 0 0 119 -4,-2.0 -1,-0.3 4,-0.3 -2,-0.2 0.309 119.0 47.7 -75.7 13.1 33.4 29.9 46.0 108 109 A A H <45S+ 0 0 45 -3,-1.0 -1,-0.2 4,-0.2 -2,-0.2 0.525 124.0 26.5-122.8 -21.4 35.9 32.6 45.0 109 110 A N H <<5S+ 0 0 69 -4,-1.6 -3,-0.2 -3,-0.6 -2,-0.2 0.756 140.9 19.9-109.2 -44.3 33.5 35.5 44.7 110 111 A I T <5S- 0 0 13 -4,-2.7 -3,-0.2 -5,-0.4 -4,-0.1 0.515 100.8-127.5-102.2 -12.7 30.7 34.7 47.1 111 112 A N S - 0 0 35 -2,-0.3 4,-2.1 -7,-0.1 5,-0.2 -0.290 41.2-110.9 -75.6 164.0 29.0 26.7 46.4 114 115 A I H > S+ 0 0 14 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.935 119.4 49.3 -58.9 -49.2 26.3 27.5 43.8 115 116 A A H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.867 112.2 49.3 -59.4 -38.2 23.7 25.4 45.6 116 117 A E H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.836 107.5 53.4 -70.7 -34.4 24.6 27.2 48.9 117 118 A S H X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.793 109.9 50.0 -70.8 -26.4 24.3 30.6 47.3 118 119 A I H X S+ 0 0 12 -4,-1.5 4,-0.7 -5,-0.2 -2,-0.2 0.891 109.3 50.4 -77.1 -40.3 20.9 29.7 46.1 119 120 A E H >< S+ 0 0 133 -4,-1.9 3,-0.8 1,-0.2 -2,-0.2 0.918 111.4 46.6 -62.6 -47.5 19.7 28.4 49.5 120 121 A R H 3X S+ 0 0 84 -4,-2.0 4,-0.7 1,-0.3 -1,-0.2 0.815 111.4 53.4 -64.7 -32.3 20.8 31.5 51.4 121 122 A L H 3X S+ 0 0 1 -4,-0.9 4,-2.2 1,-0.2 5,-0.3 0.628 88.8 81.8 -78.3 -15.4 19.2 33.6 48.7 122 123 A S H S+ 0 0 63 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.866 112.1 52.6 -73.0 -36.8 14.8 33.9 52.1 124 125 A V H X S+ 0 0 5 -4,-0.7 4,-2.1 1,-0.2 -2,-0.2 0.912 111.0 47.5 -65.6 -40.4 16.0 37.3 50.8 125 126 A I H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.843 111.8 52.9 -67.2 -32.5 14.0 36.8 47.6 126 127 A G H X S+ 0 0 37 -4,-1.2 4,-2.1 -5,-0.3 -2,-0.2 0.924 107.3 49.5 -67.9 -44.5 11.1 35.7 49.8 127 128 A A H X S+ 0 0 24 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.905 111.8 50.3 -60.8 -41.5 11.3 38.9 51.9 128 129 A A H <>S+ 0 0 1 -4,-2.1 5,-2.4 2,-0.2 4,-0.2 0.928 108.7 49.3 -63.1 -49.0 11.3 41.0 48.7 129 130 A I H ><5S+ 0 0 87 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.883 109.0 55.2 -59.7 -36.7 8.3 39.3 47.2 130 131 A N H 3<5S+ 0 0 135 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.917 107.8 47.8 -62.4 -43.4 6.5 39.8 50.4 131 132 A D T 3<5S- 0 0 83 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.356 118.6-112.4 -79.7 6.4 7.2 43.6 50.3 132 133 A G T < 5 + 0 0 68 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.688 67.4 146.9 72.6 16.6 6.1 43.7 46.7 133 134 A L < - 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