==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-OCT-06 2J78 . COMPND 2 MOLECULE: BETA-GLUCOSIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR T.M.GLOSTER,D.ZECHEL,A.VASELLA,G.J.DAVIES . 886 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 690 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 4.0 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 . 288 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.8 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 0 2 0 6 0 4 0 0 2 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 8 4 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 . 6 1 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 . 1 2 0 0 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 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 0 142 0, 0.0 2,-0.4 0, 0.0 442,-0.2 0.000 360.0 360.0 360.0 146.9 -24.7 24.4 19.1 2 4 A K E -A 442 0A 80 440,-2.6 440,-1.7 2,-0.0 2,-0.4 -0.835 360.0-170.9-131.7 94.5 -21.1 24.3 20.0 3 5 A K E -A 441 0A 120 -2,-0.4 438,-0.2 438,-0.2 437,-0.1 -0.697 12.8-140.9 -89.1 134.4 -19.4 27.6 19.4 4 6 A F - 0 0 10 436,-3.2 -1,-0.1 -2,-0.4 4,-0.0 -0.342 39.2 -72.0 -82.9 168.6 -15.6 27.8 19.6 5 7 A P > - 0 0 57 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.309 49.2-113.0 -58.5 150.2 -13.7 30.7 21.1 6 8 A E T 3 S+ 0 0 193 1,-0.3 -2,-0.1 -3,-0.1 434,-0.0 0.867 115.7 46.9 -57.3 -38.7 -13.7 33.9 18.8 7 9 A G T 3 S+ 0 0 78 2,-0.1 -1,-0.3 385,-0.0 2,-0.1 0.202 83.1 139.8 -87.9 18.6 -10.0 33.7 18.0 8 10 A F < - 0 0 16 -3,-2.1 2,-0.7 1,-0.1 384,-0.2 -0.356 48.1-133.7 -69.5 139.5 -10.1 29.9 17.2 9 11 A L E -b 392 0B 30 382,-2.3 384,-2.5 -2,-0.1 2,-0.6 -0.830 16.9-168.6-102.1 117.7 -8.0 28.8 14.3 10 12 A W E +b 393 0B 9 -2,-0.7 62,-0.9 382,-0.2 63,-0.7 -0.892 24.6 160.8-100.2 123.3 -9.6 26.4 11.8 11 13 A G E -bc 394 73B 0 382,-3.0 384,-2.3 -2,-0.6 2,-0.3 -0.744 35.9-135.5-132.9 179.4 -7.1 24.9 9.3 12 14 A V E -bc 395 74B 0 61,-1.4 63,-2.6 382,-0.3 2,-0.3 -0.942 26.0-147.4-130.4 155.2 -6.2 22.2 6.8 13 15 A A E +bc 396 75B 0 382,-2.4 385,-1.3 -2,-0.3 384,-0.6 -0.944 21.0 162.0-128.9 149.9 -2.9 20.4 6.7 14 16 A T - 0 0 1 61,-2.4 2,-0.3 -2,-0.3 387,-0.0 -0.850 24.4-134.1-143.0 179.1 -0.5 18.8 4.1 15 17 A A > - 0 0 1 -2,-0.2 4,-1.2 61,-0.2 3,-0.3 -0.989 23.2-118.2-140.1 152.9 3.1 17.7 3.9 16 18 A S H >> S+ 0 0 1 -2,-0.3 4,-2.7 1,-0.3 3,-0.8 0.901 108.6 42.7 -60.3 -55.6 5.6 18.3 1.1 17 19 A Y H 34 S+ 0 0 11 102,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.829 111.6 57.5 -64.0 -28.2 6.4 14.8 -0.1 18 20 A Q H 34 S+ 0 0 1 -3,-0.3 384,-2.1 1,-0.1 -1,-0.2 0.784 124.6 14.3 -73.6 -24.9 2.8 13.7 0.1 19 21 A I H << S+ 0 0 2 -4,-1.2 36,-2.2 -3,-0.8 34,-0.7 0.681 109.1 70.0-121.5 -26.9 1.5 16.3 -2.3 20 22 A E < - 0 0 8 -4,-2.7 36,-2.6 -5,-0.3 37,-0.4 0.882 60.7-173.6 -73.4 -42.1 4.2 18.1 -4.3 21 23 A G + 0 0 3 -4,-0.4 30,-0.3 -5,-0.3 29,-0.2 -0.208 56.4 84.8 62.9-171.8 5.6 15.6 -6.8 22 24 A S > + 0 0 34 28,-2.4 3,-1.6 1,-0.1 6,-0.1 0.895 51.9 171.8 50.0 48.8 8.7 16.7 -8.9 23 25 A P T 3 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 0.740 76.2 40.1 -64.6 -19.2 11.0 15.6 -6.1 24 26 A L T > S+ 0 0 90 26,-0.2 3,-0.6 6,-0.1 -2,-0.1 0.264 89.2 125.4-111.6 10.7 14.1 16.3 -8.3 25 27 A A G X S+ 0 0 26 -3,-1.6 3,-2.2 1,-0.2 -4,-0.0 -0.296 70.9 7.4 -66.4 150.7 12.9 19.5 -10.0 26 28 A D G 3 S- 0 0 69 1,-0.3 -1,-0.2 68,-0.0 68,-0.2 0.797 134.0 -48.6 53.5 41.0 14.9 22.7 -10.0 27 29 A G G < S+ 0 0 43 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.449 89.4 158.1 85.0 3.3 18.1 21.4 -8.4 28 30 A A < - 0 0 14 -3,-2.2 54,-0.2 -6,-0.1 -1,-0.2 -0.216 37.3-126.7 -61.3 143.2 16.5 19.6 -5.5 29 31 A G - 0 0 11 52,-2.5 57,-0.1 1,-0.1 -1,-0.1 -0.580 33.5 -92.9 -80.2 157.7 18.4 16.8 -3.7 30 32 A M - 0 0 77 -2,-0.2 94,-2.9 55,-0.1 95,-0.5 -0.381 39.4-145.3 -61.9 148.2 16.9 13.3 -3.2 31 33 A S B > -K 123 0C 6 92,-0.3 4,-2.1 93,-0.1 3,-0.3 -0.705 26.7-107.3-105.4 170.5 15.2 12.7 0.0 32 34 A I H > S+ 0 0 4 90,-2.7 4,-2.1 -2,-0.3 5,-0.1 0.738 121.0 56.9 -68.2 -20.8 15.0 9.4 2.0 33 35 A W H > S+ 0 0 2 89,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.841 103.7 53.0 -77.5 -31.6 11.4 9.0 0.9 34 36 A H H > S+ 0 0 20 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.973 116.4 38.6 -61.6 -51.9 12.4 9.2 -2.7 35 37 A T H < S+ 0 0 34 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.885 117.4 49.7 -70.5 -39.1 15.0 6.4 -2.2 36 38 A F H >< S+ 0 0 11 -4,-2.1 3,-1.1 -5,-0.2 6,-0.3 0.924 114.0 44.5 -63.1 -44.6 12.8 4.4 0.2 37 39 A S H 3< S+ 0 0 5 -4,-2.4 6,-0.3 1,-0.3 -2,-0.2 0.809 109.1 57.0 -74.7 -26.6 9.8 4.5 -2.1 38 40 A H T 3< S+ 0 0 85 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.430 87.6 94.4 -80.4 1.9 11.9 3.6 -5.2 39 41 A T S X S- 0 0 68 -3,-1.1 3,-1.8 -4,-0.2 4,-0.4 -0.853 89.1-113.9 -94.6 117.5 13.1 0.5 -3.3 40 42 A P T 3 S+ 0 0 120 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.242 96.4 21.9 -51.4 133.7 10.9 -2.4 -4.4 41 43 A G T 3 S+ 0 0 78 2,-0.3 -4,-0.1 -4,-0.1 3,-0.1 0.223 97.2 92.9 99.5 -14.0 8.7 -3.8 -1.6 42 44 A N S < S+ 0 0 55 -3,-1.8 2,-0.4 -6,-0.3 -5,-0.1 0.817 85.0 39.4 -85.6 -29.9 8.7 -0.8 0.7 43 45 A V S > S- 0 0 11 -4,-0.4 3,-2.2 -6,-0.3 -2,-0.3 -0.964 93.3 -96.8-125.6 137.8 5.5 0.9 -0.5 44 46 A K G > S+ 0 0 75 361,-2.6 3,-2.3 -2,-0.4 364,-0.2 -0.210 107.9 0.4 -47.8 131.7 2.1 -0.5 -1.6 45 47 A N G 3 S- 0 0 107 1,-0.3 -1,-0.3 362,-0.1 3,-0.1 0.573 119.1 -81.1 64.8 10.0 1.8 -0.9 -5.3 46 48 A G G < S+ 0 0 50 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.687 80.1 170.6 66.0 21.1 5.3 0.5 -5.7 47 49 A D < - 0 0 37 -3,-2.3 2,-0.3 358,-0.1 -1,-0.2 -0.229 8.6-178.3 -62.1 151.5 3.8 3.9 -5.4 48 50 A T - 0 0 24 -3,-0.1 4,-0.5 -10,-0.1 3,-0.5 -0.896 41.5-109.5-139.0 171.9 6.2 6.9 -5.0 49 51 A G S S+ 0 0 1 -2,-0.3 -28,-0.2 1,-0.2 -15,-0.1 0.129 80.3 115.7 -85.3 19.5 6.0 10.7 -4.5 50 52 A D S S- 0 0 60 -29,-0.2 -28,-2.4 -28,-0.1 -1,-0.2 0.873 99.7 -2.9 -59.1 -35.5 7.3 11.3 -8.1 51 53 A V S > S+ 0 0 85 -3,-0.5 3,-2.6 -30,-0.3 5,-0.2 0.698 83.6 153.4-121.8 -48.5 4.0 12.9 -9.1 52 54 A A T 3 S- 0 0 4 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.263 84.7 -21.9 51.5-128.6 1.6 12.8 -6.1 53 55 A C T 3 S- 0 0 0 -34,-0.7 -1,-0.3 -35,-0.2 -33,-0.1 0.307 83.3-124.3 -90.6 6.8 -0.9 15.7 -6.4 54 56 A D X> + 0 0 24 -3,-2.6 4,-2.2 1,-0.1 3,-1.2 0.834 58.3 152.4 50.6 36.1 1.5 17.7 -8.7 55 57 A H H 3> + 0 0 3 -36,-2.2 4,-1.3 1,-0.3 -35,-0.2 0.767 59.2 75.2 -68.3 -21.0 1.2 20.5 -6.1 56 58 A Y H 34 S+ 0 0 14 -36,-2.6 -1,-0.3 -37,-0.3 -35,-0.1 0.898 115.3 21.1 -57.5 -35.6 4.7 21.6 -7.2 57 59 A N H <4 S+ 0 0 98 -3,-1.2 3,-0.3 -37,-0.4 -2,-0.2 0.725 129.2 48.0 -96.5 -27.5 2.9 22.9 -10.4 58 60 A R H X S+ 0 0 92 -4,-2.2 4,-2.2 -38,-0.2 3,-0.4 0.230 71.6 115.5-101.2 11.4 -0.6 23.3 -9.1 59 61 A W H X S+ 0 0 35 -4,-1.3 4,-2.2 1,-0.2 5,-0.2 0.829 74.4 53.8 -55.9 -36.3 0.1 25.1 -5.8 60 62 A K H > S+ 0 0 73 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.929 109.5 46.7 -69.9 -41.5 -1.8 28.3 -6.9 61 63 A E H > S+ 0 0 116 -3,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.880 111.0 53.2 -66.7 -36.4 -5.0 26.5 -7.7 62 64 A D H X S+ 0 0 1 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.905 107.8 50.2 -65.3 -37.4 -4.8 24.5 -4.5 63 65 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.897 105.2 57.4 -67.5 -36.4 -4.5 27.7 -2.5 64 66 A E H X S+ 0 0 71 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.859 104.0 53.6 -60.7 -32.7 -7.5 29.1 -4.4 65 67 A I H X S+ 0 0 26 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.924 105.2 52.8 -67.3 -39.5 -9.4 26.0 -3.0 66 68 A I H <>S+ 0 0 0 -4,-1.7 5,-1.8 1,-0.2 4,-0.5 0.937 112.7 45.3 -57.0 -43.9 -8.4 26.9 0.5 67 69 A E H ><5S+ 0 0 86 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.916 110.0 54.2 -64.4 -44.6 -9.8 30.4 -0.2 68 70 A K H 3<5S+ 0 0 148 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.874 108.5 49.5 -57.7 -40.8 -13.0 28.9 -1.8 69 71 A L T 3<5S- 0 0 3 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.575 111.4-123.5 -75.0 -10.8 -13.6 26.8 1.4 70 72 A G T < 5 + 0 0 32 -3,-1.3 2,-0.3 -4,-0.5 -3,-0.2 0.664 55.4 156.2 76.2 17.1 -13.1 29.9 3.6 71 73 A V < - 0 0 1 -5,-1.8 -1,-0.2 -6,-0.2 -60,-0.1 -0.583 28.1-165.5 -81.5 137.0 -10.3 28.3 5.6 72 74 A K + 0 0 127 -62,-0.9 40,-3.2 -2,-0.3 2,-0.3 0.361 64.5 53.0-110.7 5.5 -8.0 30.7 7.3 73 75 A A E -cd 11 112B 0 -63,-0.7 -61,-1.4 38,-0.3 2,-0.4 -0.999 55.8-170.0-141.3 141.5 -5.0 28.6 8.2 74 76 A Y E -cd 12 113B 1 38,-2.4 40,-2.6 -2,-0.3 2,-0.6 -0.981 6.6-160.9-134.1 118.9 -2.8 26.2 6.2 75 77 A R E +cd 13 114B 0 -63,-2.6 -61,-2.4 -2,-0.4 2,-0.3 -0.884 28.6 154.8 -97.9 118.7 -0.3 23.9 7.8 76 78 A F E - d 0 115B 5 38,-2.0 40,-2.8 -2,-0.6 2,-0.3 -0.920 32.0-125.6-138.5 165.1 2.2 22.7 5.2 77 79 A S E - d 0 116B 2 -2,-0.3 2,-0.4 38,-0.2 40,-0.2 -0.802 11.9-129.6-117.0 161.0 5.8 21.5 5.3 78 80 A I - 0 0 0 38,-1.8 2,-0.8 -2,-0.3 41,-0.4 -0.902 22.6-124.9-108.7 134.5 9.0 22.5 3.6 79 81 A S >> - 0 0 10 -2,-0.4 3,-1.3 1,-0.2 4,-1.1 -0.679 15.9-154.4 -79.7 108.0 11.2 19.9 1.8 80 82 A W H >> S+ 0 0 0 -2,-0.8 4,-3.0 1,-0.3 3,-1.0 0.897 92.3 52.6 -47.9 -50.7 14.7 20.1 3.3 81 83 A P H 34 S+ 0 0 2 0, 0.0 -52,-2.5 0, 0.0 -1,-0.3 0.659 102.2 59.4 -73.3 -8.8 16.4 18.8 0.2 82 84 A R H <4 S+ 0 0 6 -3,-1.3 13,-0.4 -54,-0.2 14,-0.2 0.813 115.6 35.8 -72.2 -33.0 14.7 21.4 -2.0 83 85 A I H << S+ 0 0 0 -4,-1.1 9,-3.1 -3,-1.0 13,-0.2 0.881 137.0 17.7 -84.1 -49.1 16.3 24.1 0.2 84 86 A L S >< S- 0 0 0 -4,-3.0 3,-2.6 7,-0.2 -1,-0.3 -0.865 70.1-167.3-125.9 93.1 19.7 22.4 0.9 85 87 A P T 3 S+ 0 0 3 0, 0.0 40,-0.4 0, 0.0 39,-0.1 0.798 92.8 38.8 -54.6 -34.5 20.1 19.6 -1.7 86 88 A E T 3 S- 0 0 95 4,-0.4 2,-0.8 2,-0.3 5,-0.1 0.227 115.6-114.5 -95.1 8.5 23.1 18.1 0.2 87 89 A G S < S+ 0 0 0 -3,-2.6 2,-0.3 -7,-0.2 57,-0.1 -0.186 95.8 32.3 86.3 -44.2 21.4 18.8 3.6 88 90 A T S S+ 0 0 30 -2,-0.8 2,-0.7 55,-0.1 -2,-0.3 -0.854 109.1 25.8-130.0 168.6 24.1 21.4 4.6 89 91 A G S S+ 0 0 54 -2,-0.3 2,-0.1 -4,-0.1 -2,-0.0 -0.735 96.5 59.5 91.4-113.8 26.2 23.8 2.5 90 92 A R - 0 0 139 -2,-0.7 2,-0.4 1,-0.1 -4,-0.4 -0.340 66.2-149.4 -64.4 120.1 24.7 24.9 -0.8 91 93 A V - 0 0 64 -7,-0.2 2,-0.8 -2,-0.1 -7,-0.2 -0.842 12.9-137.4 -90.9 133.1 21.3 26.7 -0.6 92 94 A N >> - 0 0 20 -9,-3.1 4,-1.7 -2,-0.4 3,-1.1 -0.798 9.6-161.2 -95.2 106.0 19.1 26.2 -3.7 93 95 A Q H 3> S+ 0 0 111 -2,-0.8 4,-2.6 1,-0.3 -1,-0.2 0.841 89.9 58.0 -57.4 -35.9 17.5 29.5 -4.6 94 96 A K H 3> S+ 0 0 113 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.829 104.0 52.8 -68.6 -26.8 14.8 27.8 -6.7 95 97 A G H <> S+ 0 0 1 -3,-1.1 4,-1.7 -13,-0.4 -1,-0.2 0.928 110.6 46.9 -68.9 -45.3 13.7 25.8 -3.6 96 98 A L H X S+ 0 0 4 -4,-1.7 4,-2.5 -14,-0.2 -2,-0.2 0.914 110.3 54.4 -56.7 -42.7 13.4 29.1 -1.7 97 99 A D H X S+ 0 0 59 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.870 103.2 55.9 -61.2 -41.5 11.5 30.6 -4.6 98 100 A F H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.945 114.3 37.9 -60.2 -50.3 8.9 27.8 -4.6 99 101 A Y H X S+ 0 0 1 -4,-1.7 4,-3.1 1,-0.2 -1,-0.2 0.830 110.2 60.9 -73.8 -30.7 8.0 28.4 -1.0 100 102 A N H X S+ 0 0 29 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.911 104.6 50.1 -58.4 -41.7 8.2 32.2 -1.2 101 103 A R H X S+ 0 0 104 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.934 112.9 46.4 -64.4 -43.9 5.5 32.2 -3.9 102 104 A I H X S+ 0 0 2 -4,-1.5 4,-2.6 -5,-0.2 -2,-0.2 0.959 114.8 46.7 -60.8 -50.3 3.3 30.0 -1.6 103 105 A I H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.938 113.1 47.8 -59.4 -48.4 3.9 32.2 1.5 104 106 A D H X S+ 0 0 78 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.891 112.8 49.7 -60.1 -41.3 3.3 35.5 -0.3 105 107 A T H X S+ 0 0 13 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.901 109.9 50.6 -65.9 -41.8 0.1 34.1 -1.9 106 108 A L H <>S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.2 4,-0.3 0.925 112.0 46.9 -61.4 -44.0 -1.2 32.9 1.5 107 109 A L H ><5S+ 0 0 68 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.896 108.5 54.8 -67.1 -40.0 -0.6 36.2 3.1 108 110 A E H 3<5S+ 0 0 162 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.891 112.6 45.0 -58.1 -39.2 -2.2 38.1 0.2 109 111 A K T 3<5S- 0 0 45 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.430 115.8-115.3 -87.5 3.8 -5.3 36.0 0.8 110 112 A G T < 5 + 0 0 46 -3,-1.3 2,-0.5 -4,-0.3 -3,-0.2 0.783 66.5 143.7 67.7 27.6 -5.2 36.4 4.6 111 113 A I < - 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