==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JUN-03 1OIF . COMPND 2 MOLECULE: BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR T.GLOSTER,D.L.ZECHEL,A.B.BORASTON,C.M.BORASTON, . 886 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32510.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 691 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 111 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 68 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.5 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 8 0 2 2 0 4 0 1 1 0 4 2 4 0 0 2 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 5 6 0 0 0 0 2 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 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 0 0 1 0 1 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 3 A V 0 0 145 0, 0.0 2,-0.3 0, 0.0 442,-0.2 0.000 360.0 360.0 360.0 130.5 -25.6 24.3 19.6 2 4 A K E -A 442 0A 76 440,-2.0 440,-1.9 2,-0.0 2,-0.3 -0.803 360.0-174.7-129.0 91.7 -21.8 23.9 20.4 3 5 A K E -A 441 0A 127 -2,-0.3 438,-0.2 438,-0.2 437,-0.1 -0.695 14.2-139.0 -91.8 136.9 -20.2 27.3 19.8 4 6 A F - 0 0 8 436,-3.2 3,-0.1 -2,-0.3 4,-0.1 -0.506 33.9 -79.4 -92.9 162.4 -16.3 27.6 20.0 5 7 A P > - 0 0 58 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 -0.149 60.2 -84.0 -60.4 154.0 -14.3 30.5 21.6 6 8 A E T 3 S+ 0 0 201 1,-0.3 434,-0.0 2,-0.0 0, 0.0 -0.335 116.2 17.0 -58.9 135.5 -13.9 33.7 19.7 7 9 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.3 -3,-0.1 2,-0.0 0.552 81.9 164.7 75.6 7.1 -10.9 33.4 17.3 8 10 A F < - 0 0 7 -3,-1.8 2,-0.8 1,-0.1 -1,-0.2 -0.334 39.3-121.5 -51.9 133.8 -10.7 29.6 17.4 9 11 A L E -b 392 0B 32 382,-2.4 384,-2.7 62,-0.0 2,-0.6 -0.750 24.8-168.0 -93.0 107.9 -8.6 28.4 14.5 10 12 A W E +b 393 0B 0 -2,-0.8 62,-1.5 382,-0.2 63,-1.4 -0.867 25.4 167.8 -91.9 121.6 -10.3 26.1 12.1 11 13 A G E -bc 394 73B 0 382,-3.1 384,-1.9 -2,-0.6 2,-0.3 -0.713 35.0-141.3-127.6 170.1 -7.7 24.5 9.8 12 14 A V E -bc 395 74B 0 61,-1.7 63,-3.0 382,-0.3 2,-0.3 -0.940 25.5-147.3-127.1 159.6 -6.9 21.9 7.2 13 15 A A E +bc 396 75B 0 382,-2.1 385,-1.3 -2,-0.3 384,-0.6 -0.948 21.0 161.4-133.9 140.8 -3.6 20.0 7.1 14 16 A T - 0 0 0 61,-2.6 2,-0.3 -2,-0.3 387,-0.0 -0.836 25.6-132.1-137.7-178.9 -1.3 18.5 4.5 15 17 A A > - 0 0 0 -2,-0.3 4,-1.0 61,-0.2 3,-0.4 -0.988 22.6-121.5-140.1 142.4 2.4 17.3 4.2 16 18 A S H >> S+ 0 0 1 -2,-0.3 4,-2.4 1,-0.2 3,-0.9 0.873 108.6 42.8 -48.8 -55.4 4.8 18.1 1.4 17 19 A Y H 34 S+ 0 0 12 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.835 111.1 58.3 -68.0 -27.4 5.7 14.6 0.2 18 20 A Q H 34 S+ 0 0 1 -3,-0.4 384,-2.5 1,-0.1 -1,-0.2 0.716 124.5 12.4 -75.9 -18.5 2.0 13.5 0.4 19 21 A I H << S+ 0 0 2 -4,-1.0 36,-2.1 -3,-0.9 34,-1.1 0.677 109.5 72.2-128.0 -29.9 0.6 16.1 -2.0 20 22 A E < - 0 0 7 -4,-2.4 36,-2.3 -5,-0.3 37,-0.3 0.871 59.9-176.3 -66.3 -49.1 3.4 17.9 -4.0 21 23 A G + 0 0 2 -5,-0.3 30,-0.3 -4,-0.3 29,-0.2 -0.265 54.9 86.3 64.9-168.3 4.8 15.5 -6.6 22 24 A S > + 0 0 37 28,-2.4 3,-1.3 1,-0.1 28,-0.1 0.891 52.9 173.1 43.7 53.1 7.7 16.8 -8.7 23 25 A P T 3 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 0.772 76.2 38.4 -63.1 -28.3 10.2 15.6 -5.9 24 26 A L T > S+ 0 0 86 26,-0.1 3,-0.6 3,-0.1 4,-0.1 0.298 88.8 125.7-106.5 9.7 13.3 16.4 -8.1 25 27 A A G X S+ 0 0 30 -3,-1.3 3,-1.5 1,-0.2 -4,-0.0 -0.309 71.6 8.9 -64.7 148.6 12.0 19.6 -9.8 26 28 A D G 3 S- 0 0 73 1,-0.3 -1,-0.2 68,-0.0 68,-0.2 0.829 133.4 -51.2 57.6 41.5 14.0 22.9 -9.7 27 29 A G G < S+ 0 0 44 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.583 88.3 158.5 72.5 13.5 17.2 21.5 -8.1 28 30 A A < - 0 0 13 -3,-1.5 54,-0.3 -4,-0.1 -1,-0.2 -0.403 37.7-126.3 -63.8 142.5 15.6 19.7 -5.1 29 31 A G - 0 0 14 52,-2.7 2,-0.1 1,-0.1 57,-0.1 -0.477 33.6 -90.4 -79.2 162.2 17.7 16.9 -3.6 30 32 A M - 0 0 75 -2,-0.1 94,-2.6 55,-0.1 95,-0.5 -0.464 39.1-147.1 -63.4 142.5 16.3 13.4 -3.1 31 33 A S B > -K 123 0C 6 92,-0.3 4,-1.7 93,-0.1 3,-0.2 -0.652 28.3-107.9 -98.3 169.4 14.5 12.7 0.2 32 34 A I H > S+ 0 0 4 90,-2.4 4,-2.2 -2,-0.2 5,-0.1 0.715 120.7 58.5 -68.4 -22.7 14.4 9.3 2.0 33 35 A W H > S+ 0 0 2 89,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.826 102.5 53.3 -77.5 -31.3 10.8 8.9 0.9 34 36 A H H > S+ 0 0 20 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.963 115.9 38.3 -60.1 -51.9 11.8 9.2 -2.7 35 37 A T H < S+ 0 0 33 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.1 0.884 117.9 50.6 -71.6 -36.7 14.4 6.4 -2.3 36 38 A F H >< S+ 0 0 12 -4,-2.2 3,-1.5 1,-0.2 6,-0.3 0.929 112.1 44.5 -62.2 -50.7 12.1 4.3 -0.0 37 39 A S H 3< S+ 0 0 5 -4,-2.2 6,-0.2 1,-0.3 -1,-0.2 0.806 110.0 57.5 -72.0 -26.3 9.0 4.4 -2.3 38 40 A H T 3< S+ 0 0 86 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.344 86.8 93.9 -81.0 3.3 11.2 3.7 -5.3 39 41 A T S X S- 0 0 69 -3,-1.5 3,-1.7 -5,-0.1 4,-0.4 -0.893 88.9-112.9 -96.8 119.8 12.4 0.5 -3.6 40 42 A P T 3 S+ 0 0 126 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.268 97.1 21.2 -52.2 132.9 10.3 -2.5 -4.7 41 43 A G T 3 S+ 0 0 78 2,-0.3 3,-0.1 -4,-0.1 -4,-0.1 0.242 96.4 94.9 95.5 -10.0 8.1 -3.9 -2.0 42 44 A N S < S+ 0 0 56 -3,-1.7 2,-0.4 -6,-0.3 -5,-0.1 0.830 84.4 39.0 -83.6 -32.9 8.1 -0.9 0.4 43 45 A V S > S- 0 0 8 -4,-0.4 3,-2.3 -6,-0.2 -2,-0.3 -0.969 93.5 -95.8-125.0 133.4 4.8 0.7 -0.7 44 46 A K G > S- 0 0 65 361,-2.8 3,-2.2 -2,-0.4 364,-0.2 -0.127 107.9 -0.9 -41.2 132.4 1.4 -0.8 -1.7 45 47 A N G 3 S- 0 0 132 1,-0.3 -1,-0.3 362,-0.1 361,-0.0 0.590 119.8 -78.2 60.1 15.7 1.1 -1.1 -5.5 46 48 A G G < S+ 0 0 54 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.709 81.0 168.9 66.9 19.8 4.5 0.4 -6.0 47 49 A D < + 0 0 35 -3,-2.2 2,-0.3 -4,-0.1 -1,-0.2 -0.276 8.3 177.3 -65.8 148.8 3.1 3.9 -5.4 48 50 A T - 0 0 25 -10,-0.1 4,-0.5 4,-0.0 3,-0.4 -0.876 42.8-107.7-136.8 176.1 5.4 6.8 -5.0 49 51 A G S S+ 0 0 1 -2,-0.3 -28,-0.3 -16,-0.2 4,-0.1 0.121 80.3 115.2 -91.3 20.9 5.2 10.6 -4.5 50 52 A D S S+ 0 0 60 -29,-0.2 -28,-2.4 -28,-0.1 -1,-0.2 0.897 100.0 0.2 -53.3 -42.0 6.5 11.3 -8.0 51 53 A V S > S+ 0 0 89 -3,-0.4 3,-2.5 -30,-0.3 5,-0.2 0.776 84.2 151.9-115.5 -50.2 3.1 12.9 -8.9 52 54 A A T 3 S- 0 0 3 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.295 84.8 -22.5 55.3-125.5 0.8 12.7 -5.9 53 55 A C T 3 S- 0 0 0 -34,-1.1 -1,-0.3 -4,-0.1 -33,-0.2 0.324 82.2-125.2 -93.6 3.5 -1.7 15.6 -6.0 54 56 A D X> + 0 0 25 -3,-2.5 4,-2.5 1,-0.1 3,-1.6 0.801 58.9 151.3 48.0 36.1 0.6 17.6 -8.3 55 57 A H H 3> + 0 0 3 -36,-2.1 4,-1.4 1,-0.3 -35,-0.2 0.785 57.8 75.4 -64.9 -25.6 0.3 20.4 -5.7 56 58 A Y H 34 S+ 0 0 13 -36,-2.3 -1,-0.3 -37,-0.2 -35,-0.1 0.816 114.9 21.2 -54.7 -31.2 3.7 21.6 -6.8 57 59 A N H <4 S+ 0 0 95 -3,-1.6 3,-0.4 -37,-0.3 -2,-0.2 0.727 128.1 48.7-101.9 -32.1 1.9 23.0 -9.9 58 60 A R H X S+ 0 0 87 -4,-2.5 4,-2.1 1,-0.2 3,-0.2 0.207 72.3 116.4 -99.7 12.9 -1.7 23.2 -8.6 59 61 A W H X S+ 0 0 38 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.807 72.4 54.2 -50.0 -42.3 -0.9 25.0 -5.3 60 62 A K H > S+ 0 0 85 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.943 110.0 45.9 -63.8 -47.8 -2.8 28.3 -6.3 61 63 A E H > S+ 0 0 88 1,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.858 111.2 53.6 -62.9 -36.2 -6.1 26.4 -7.0 62 64 A D H X S+ 0 0 1 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.909 109.8 46.2 -66.8 -40.1 -5.7 24.4 -3.8 63 65 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.934 107.9 57.5 -66.4 -44.0 -5.4 27.5 -1.7 64 66 A E H X S+ 0 0 71 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.894 104.8 53.0 -51.1 -40.0 -8.4 29.0 -3.6 65 67 A I H X S+ 0 0 29 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.897 108.5 48.7 -58.5 -43.8 -10.3 25.9 -2.4 66 68 A I H X>S+ 0 0 1 -4,-1.6 5,-1.4 -3,-0.2 4,-0.5 0.947 114.0 47.1 -59.8 -49.1 -9.3 26.7 1.2 67 69 A E H ><5S+ 0 0 85 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.950 111.9 49.3 -56.6 -57.5 -10.4 30.3 0.7 68 70 A K H 3<5S+ 0 0 189 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.815 110.2 50.5 -50.6 -39.3 -13.7 29.3 -0.9 69 71 A L H 3<5S- 0 0 9 -4,-2.1 -1,-0.3 -5,-0.2 369,-0.2 0.589 109.8-129.6 -76.9 -10.8 -14.4 26.9 2.0 70 72 A G T <<5 + 0 0 40 -3,-1.7 -3,-0.2 -4,-0.5 -2,-0.1 0.571 47.0 161.9 74.7 10.6 -13.6 29.8 4.3 71 73 A V < - 0 0 3 -5,-1.4 -1,-0.2 1,-0.1 -60,-0.2 -0.383 31.1-149.3 -70.1 144.2 -11.2 27.8 6.5 72 74 A K + 0 0 93 -62,-1.5 40,-3.1 1,-0.1 2,-0.3 0.599 68.9 40.0 -92.2 -14.7 -8.9 30.1 8.6 73 75 A A E -cd 11 112B 0 -63,-1.4 -61,-1.7 38,-0.3 2,-0.5 -0.999 55.4-160.1-145.2 138.3 -5.7 28.1 8.9 74 76 A Y E -cd 12 113B 2 38,-2.1 40,-3.0 -2,-0.3 2,-0.7 -0.976 6.5-160.8-123.4 116.0 -3.5 25.9 6.7 75 77 A R E +cd 13 114B 0 -63,-3.0 -61,-2.6 -2,-0.5 2,-0.3 -0.897 28.0 157.1 -91.6 116.1 -1.1 23.5 8.2 76 78 A F E - d 0 115B 5 38,-2.0 40,-2.9 -2,-0.7 2,-0.3 -0.930 30.3-129.0-135.2 160.9 1.5 22.5 5.6 77 79 A S E - d 0 116B 1 -2,-0.3 2,-0.4 38,-0.2 40,-0.2 -0.730 12.4-128.4-112.3 162.3 5.0 21.1 5.7 78 80 A I - 0 0 0 38,-1.7 2,-0.9 -2,-0.3 41,-0.4 -0.904 20.3-127.1-109.7 133.5 8.3 22.1 4.0 79 81 A S >> - 0 0 9 -2,-0.4 3,-1.7 1,-0.2 4,-1.0 -0.726 16.4-154.7 -78.4 103.7 10.4 19.7 2.1 80 82 A W H >> S+ 0 0 0 -2,-0.9 4,-3.1 1,-0.3 3,-1.1 0.916 92.5 53.8 -45.1 -52.1 13.9 20.0 3.6 81 83 A P H 34 S+ 0 0 2 0, 0.0 -52,-2.7 0, 0.0 -1,-0.3 0.638 101.0 59.8 -64.7 -16.2 15.6 18.7 0.4 82 84 A R H <4 S+ 0 0 6 -3,-1.7 13,-0.4 -54,-0.3 14,-0.2 0.755 116.6 34.8 -70.8 -30.1 13.8 21.4 -1.7 83 85 A I H << S+ 0 0 0 -3,-1.1 9,-3.2 -4,-1.0 13,-0.2 0.879 136.9 17.9 -89.9 -49.9 15.5 24.0 0.5 84 86 A L >< - 0 0 0 -4,-3.1 3,-2.0 7,-0.2 -1,-0.3 -0.885 69.4-169.4-126.9 93.9 18.9 22.4 1.2 85 87 A P T 3 S+ 0 0 5 0, 0.0 40,-0.4 0, 0.0 -1,-0.1 0.794 91.7 39.5 -59.2 -31.9 19.4 19.7 -1.4 86 88 A E T 3 S- 0 0 98 4,-0.3 2,-0.7 2,-0.3 5,-0.1 0.244 116.7-114.8 -94.3 8.0 22.4 18.2 0.5 87 89 A G S < S+ 0 0 0 -3,-2.0 2,-0.3 -7,-0.2 57,-0.1 -0.160 93.2 36.1 84.9 -41.6 20.7 18.8 3.8 88 90 A T S S+ 0 0 33 -2,-0.7 2,-0.7 55,-0.1 -2,-0.3 -0.886 107.4 20.2-130.0 171.5 23.2 21.4 4.9 89 91 A G S S+ 0 0 49 -2,-0.3 -2,-0.0 -4,-0.1 0, 0.0 -0.655 97.5 64.7 80.5-110.1 25.3 24.1 3.1 90 92 A R - 0 0 136 -2,-0.7 2,-0.5 1,-0.1 -4,-0.3 -0.188 66.0-150.4 -60.8 132.0 23.8 25.1 -0.2 91 93 A V - 0 0 59 -7,-0.2 2,-0.8 -6,-0.1 -7,-0.2 -0.883 10.0-137.9-104.0 131.0 20.4 26.8 -0.2 92 94 A N >> - 0 0 15 -9,-3.2 4,-1.7 -2,-0.5 3,-0.8 -0.770 9.6-163.0 -91.6 105.9 18.1 26.3 -3.2 93 95 A Q H 3> S+ 0 0 103 -2,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.877 89.0 57.8 -57.9 -36.9 16.4 29.7 -4.0 94 96 A K H 3> S+ 0 0 120 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.811 103.9 52.3 -67.1 -28.2 13.8 28.0 -6.2 95 97 A G H <> S+ 0 0 1 -3,-0.8 4,-1.6 -13,-0.4 -1,-0.2 0.928 110.7 46.7 -68.7 -45.8 12.7 25.9 -3.2 96 98 A L H X S+ 0 0 2 -4,-1.7 4,-2.8 -14,-0.2 -2,-0.2 0.891 109.6 55.8 -59.4 -39.5 12.3 29.0 -1.1 97 99 A D H X S+ 0 0 59 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.916 103.5 54.8 -62.6 -43.5 10.4 30.6 -4.0 98 100 A F H X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.913 114.8 37.9 -51.9 -50.2 7.9 27.7 -4.1 99 101 A Y H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.854 111.5 59.2 -77.5 -34.2 7.0 28.2 -0.3 100 102 A N H X S+ 0 0 30 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.912 105.0 50.7 -53.0 -47.8 7.2 32.0 -0.5 101 103 A R H X S+ 0 0 109 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.918 112.6 46.2 -59.4 -45.3 4.4 32.0 -3.2 102 104 A I H X S+ 0 0 2 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.931 113.4 49.4 -61.3 -48.7 2.2 29.8 -1.0 103 105 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.948 113.2 45.3 -58.1 -51.2 2.9 31.9 2.1 104 106 A D H X S+ 0 0 75 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.861 112.0 52.5 -62.8 -39.1 2.1 35.2 0.4 105 107 A T H X S+ 0 0 15 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.887 109.4 49.0 -62.6 -44.3 -1.0 33.8 -1.2 106 108 A L H <>S+ 0 0 0 -4,-2.3 5,-2.8 2,-0.2 -2,-0.2 0.928 113.6 46.0 -61.7 -48.5 -2.4 32.5 2.1 107 109 A L H ><5S+ 0 0 69 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.941 108.5 55.0 -63.0 -46.3 -1.8 35.8 3.8 108 110 A E H 3<5S+ 0 0 149 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.861 112.8 44.9 -53.3 -35.2 -3.3 37.8 0.9 109 111 A K T 3<5S- 0 0 42 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.237 119.2-110.7 -95.8 12.3 -6.5 35.6 1.4 110 112 A G T < 5S+ 0 0 59 -3,-2.3 2,-0.4 1,-0.2 -3,-0.2 0.654 70.5 139.6 67.3 20.2 -6.5 35.9 5.2 111 113 A I < - 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