==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-FEB-06 2CES . COMPND 2 MOLECULE: BETA-GLUCOSIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR T.M.GLOSTER,S.ROBERTS,A.VASELLA,G.J.DAVIES . 880 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 682 77.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 111 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 . 67 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.7 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 2 1 0 3 2 4 0 0 2 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 7 5 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 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 0 136 0, 0.0 2,-0.5 0, 0.0 440,-0.2 0.000 360.0 360.0 360.0 118.6 -25.7 24.5 19.7 2 4 A K E -A 440 0A 82 438,-2.2 438,-2.1 2,-0.0 2,-0.3 -0.877 360.0-174.5-120.8 94.8 -22.1 23.9 20.6 3 5 A K E -A 439 0A 128 -2,-0.5 436,-0.2 436,-0.2 435,-0.1 -0.681 14.2-138.0 -90.9 144.3 -20.3 27.2 19.9 4 6 A F - 0 0 9 434,-2.9 3,-0.1 -2,-0.3 375,-0.0 -0.547 35.5 -77.0 -97.1 164.3 -16.5 27.5 20.2 5 7 A P > - 0 0 57 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 -0.119 59.7 -84.4 -57.3 158.8 -14.6 30.4 21.7 6 8 A E T 3 S+ 0 0 193 1,-0.2 432,-0.0 -3,-0.1 -3,-0.0 -0.407 116.4 16.1 -61.8 137.1 -14.1 33.7 19.8 7 9 A G T 3 S+ 0 0 62 1,-0.2 -1,-0.2 -3,-0.1 2,-0.0 0.496 82.4 161.1 74.5 3.7 -11.1 33.4 17.4 8 10 A F < - 0 0 6 -3,-1.6 2,-0.8 1,-0.1 -1,-0.2 -0.351 42.3-119.8 -53.4 130.9 -10.9 29.6 17.6 9 11 A L E -b 390 0B 30 380,-2.5 382,-2.7 63,-0.1 2,-0.6 -0.712 24.6-166.2 -87.3 109.3 -8.9 28.4 14.6 10 12 A W E +b 391 0B 0 -2,-0.8 63,-1.9 380,-0.2 62,-1.5 -0.838 26.5 163.6 -88.6 120.9 -10.6 26.1 12.2 11 13 A G E -bc 392 73B 0 380,-3.0 382,-2.2 -2,-0.6 2,-0.3 -0.778 36.2-141.1-130.0 171.2 -8.1 24.4 9.9 12 14 A V E -bc 393 74B 0 61,-1.5 63,-2.7 380,-0.3 2,-0.3 -0.942 26.0-144.6-125.2 158.4 -7.3 21.7 7.4 13 15 A A E +bc 394 75B 0 380,-2.6 383,-1.3 -2,-0.3 382,-0.6 -0.945 21.9 161.9-130.7 145.7 -3.9 19.9 7.2 14 16 A T - 0 0 1 61,-2.3 2,-0.3 -2,-0.3 385,-0.0 -0.776 24.5-133.8-138.5-179.0 -1.6 18.4 4.6 15 17 A A > - 0 0 0 -2,-0.2 4,-1.1 61,-0.2 5,-0.3 -0.980 24.0-118.1-143.3 144.2 2.1 17.3 4.3 16 18 A S H >> S+ 0 0 2 -2,-0.3 4,-2.5 1,-0.2 3,-0.7 0.880 109.5 41.7 -46.2 -56.9 4.6 18.0 1.4 17 19 A Y H 34 S+ 0 0 12 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.824 111.9 57.4 -70.6 -29.3 5.4 14.4 0.2 18 20 A Q H 34 S+ 0 0 0 -3,-0.2 382,-2.6 1,-0.1 -1,-0.2 0.767 124.6 13.6 -70.0 -27.0 1.7 13.3 0.4 19 21 A I H << S+ 0 0 2 -4,-1.1 36,-2.3 -3,-0.7 34,-0.7 0.682 111.1 69.2-121.8 -30.4 0.3 16.0 -1.9 20 22 A E < - 0 0 7 -4,-2.5 36,-2.0 -5,-0.3 37,-0.3 0.898 60.3-177.3 -69.1 -50.1 3.0 17.8 -3.9 21 23 A G + 0 0 2 -5,-0.3 30,-0.3 -4,-0.3 29,-0.2 -0.218 54.1 87.5 65.1-171.7 4.5 15.4 -6.4 22 24 A S > + 0 0 35 28,-2.7 3,-1.8 1,-0.1 28,-0.1 0.918 53.4 174.6 49.3 51.7 7.3 16.6 -8.6 23 25 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 0.747 75.9 38.4 -66.2 -21.0 9.8 15.5 -5.9 24 26 A L T > S+ 0 0 88 26,-0.1 3,-0.6 3,-0.1 -2,-0.1 0.206 88.0 127.4-112.2 19.4 12.9 16.4 -8.0 25 27 A A G X S+ 0 0 29 -3,-1.8 3,-1.9 1,-0.2 -4,-0.0 -0.383 71.3 7.0 -73.4 150.5 11.6 19.6 -9.7 26 28 A D G 3 S- 0 0 76 1,-0.3 -1,-0.2 -2,-0.1 68,-0.2 0.822 134.8 -47.8 51.3 47.0 13.5 22.8 -9.7 27 29 A G G < S+ 0 0 46 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.509 88.4 159.1 78.3 2.7 16.7 21.6 -8.1 28 30 A A < - 0 0 13 -3,-1.9 54,-0.3 1,-0.1 2,-0.2 -0.223 36.5-128.9 -52.1 143.2 15.1 19.6 -5.2 29 31 A G - 0 0 14 52,-2.2 2,-0.1 1,-0.1 57,-0.1 -0.607 33.8 -90.6 -86.6 159.7 17.3 16.9 -3.6 30 32 A M - 0 0 75 -2,-0.2 94,-2.6 55,-0.1 95,-0.5 -0.426 40.2-148.7 -60.5 142.9 16.0 13.3 -3.1 31 33 A S B > -K 123 0C 7 92,-0.3 4,-1.7 93,-0.2 3,-0.4 -0.684 28.6-106.2-104.2 168.7 14.2 12.7 0.2 32 34 A I H > S+ 0 0 3 90,-2.4 4,-1.9 -2,-0.2 5,-0.1 0.664 120.7 58.5 -66.9 -18.8 14.2 9.3 2.0 33 35 A W H > S+ 0 0 2 89,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.821 102.6 53.0 -80.7 -30.5 10.5 8.9 1.0 34 36 A H H > S+ 0 0 21 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.974 116.2 38.3 -59.3 -54.5 11.5 9.2 -2.7 35 37 A T H < S+ 0 0 32 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.1 0.862 117.7 50.6 -71.2 -37.8 14.1 6.4 -2.3 36 38 A F H >< S+ 0 0 13 -4,-1.9 3,-1.3 1,-0.2 6,-0.3 0.926 112.8 44.4 -60.8 -49.3 11.9 4.3 0.1 37 39 A S H 3< S+ 0 0 6 -4,-2.3 6,-0.2 1,-0.3 -2,-0.2 0.774 110.0 56.6 -76.6 -20.7 8.8 4.4 -2.1 38 40 A H T 3< S+ 0 0 85 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.422 87.8 93.2 -83.3 2.5 11.0 3.6 -5.2 39 41 A T S X S- 0 0 70 -3,-1.3 3,-1.7 -5,-0.1 4,-0.4 -0.861 89.0-113.0 -94.6 119.3 12.2 0.5 -3.5 40 42 A P T 3 S+ 0 0 125 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.225 96.4 21.4 -53.0 137.6 10.0 -2.5 -4.5 41 43 A G T 3 S+ 0 0 77 2,-0.3 -4,-0.1 -4,-0.1 3,-0.1 0.203 96.9 95.4 93.6 -13.7 7.9 -4.0 -1.8 42 44 A N S < S+ 0 0 55 -3,-1.7 2,-0.4 -6,-0.3 -5,-0.1 0.833 84.2 37.8 -81.4 -31.5 7.9 -1.0 0.5 43 45 A V S > S- 0 0 8 -4,-0.4 3,-2.3 -6,-0.2 -2,-0.3 -0.971 93.7 -93.9-129.6 134.7 4.6 0.6 -0.5 44 46 A K G > S- 0 0 77 359,-2.6 3,-2.3 -2,-0.4 362,-0.2 -0.118 108.5 -1.5 -43.6 132.1 1.2 -0.8 -1.5 45 47 A N G 3 S- 0 0 156 1,-0.3 -1,-0.3 360,-0.1 359,-0.0 0.652 119.9 -79.2 57.5 17.6 0.8 -1.3 -5.3 46 48 A G G < S+ 0 0 53 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.791 80.5 170.7 60.8 26.1 4.3 0.2 -5.7 47 49 A D < - 0 0 33 -3,-2.3 2,-0.3 -4,-0.1 -1,-0.2 -0.369 8.1-178.1 -66.8 147.4 2.7 3.7 -5.3 48 50 A T - 0 0 22 -10,-0.1 4,-0.5 -2,-0.0 3,-0.4 -0.852 40.5-109.5-131.7 177.2 5.1 6.6 -4.9 49 51 A G S S+ 0 0 1 -2,-0.3 -28,-0.2 -16,-0.2 -15,-0.1 0.160 80.1 114.4 -89.3 18.6 4.9 10.4 -4.3 50 52 A D S S+ 0 0 61 -29,-0.2 -28,-2.7 -28,-0.1 -1,-0.2 0.883 99.1 0.0 -58.3 -41.0 6.1 11.2 -7.9 51 53 A V S > S+ 0 0 85 -3,-0.4 3,-2.5 -30,-0.3 5,-0.2 0.761 83.2 153.9-115.0 -47.0 2.8 12.7 -8.8 52 54 A A T 3 S- 0 0 3 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.228 84.4 -23.2 53.8-132.7 0.5 12.6 -5.8 53 55 A C T 3 S- 0 0 0 -34,-0.7 -1,-0.3 -35,-0.2 -33,-0.1 0.290 83.3-124.9 -84.2 5.2 -2.2 15.4 -6.0 54 56 A D X> + 0 0 21 -3,-2.5 4,-2.3 1,-0.1 3,-1.9 0.794 58.1 153.4 45.7 34.7 0.2 17.4 -8.2 55 57 A H H 3> + 0 0 3 -36,-2.3 4,-1.3 1,-0.3 -35,-0.2 0.762 58.5 75.3 -61.4 -23.3 -0.2 20.2 -5.7 56 58 A Y H 34 S+ 0 0 14 -36,-2.0 -1,-0.3 -37,-0.2 -35,-0.1 0.788 114.2 22.0 -59.0 -30.5 3.3 21.4 -6.8 57 59 A N H <4 S+ 0 0 102 -3,-1.9 3,-0.3 -37,-0.3 -2,-0.2 0.678 128.9 47.7-102.2 -27.8 1.4 22.8 -9.9 58 60 A R H X S+ 0 0 73 -4,-2.3 4,-2.3 1,-0.2 3,-0.2 0.228 71.6 117.0-102.4 14.1 -2.1 23.0 -8.6 59 61 A W H X S+ 0 0 37 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.811 73.8 53.7 -52.0 -40.1 -1.4 24.8 -5.3 60 62 A K H > S+ 0 0 119 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.944 109.5 46.8 -65.9 -46.4 -3.4 28.0 -6.2 61 63 A E H > S+ 0 0 85 -3,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.947 112.3 51.2 -59.1 -46.5 -6.6 26.1 -7.0 62 64 A D H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.880 111.6 46.7 -58.5 -40.8 -6.2 24.0 -3.7 63 65 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.922 107.6 55.7 -67.0 -45.0 -5.8 27.2 -1.7 64 66 A E H X S+ 0 0 72 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.865 105.4 55.0 -55.0 -33.8 -8.8 28.8 -3.5 65 67 A I H X S+ 0 0 30 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.901 107.1 48.6 -61.0 -43.6 -10.7 25.7 -2.3 66 68 A I H X>S+ 0 0 0 -4,-1.5 5,-1.6 2,-0.2 4,-0.5 0.960 114.6 45.9 -59.8 -54.5 -9.6 26.5 1.3 67 69 A E H ><5S+ 0 0 85 -4,-2.6 3,-2.7 1,-0.2 -2,-0.2 0.957 111.4 50.7 -47.4 -63.8 -10.8 30.2 0.9 68 70 A K H 3<5S+ 0 0 185 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.806 109.8 51.9 -48.2 -36.1 -14.1 29.2 -0.8 69 71 A L H 3<5S- 0 0 8 -4,-1.8 -1,-0.3 -5,-0.2 367,-0.2 0.618 109.3-127.1 -79.6 -11.5 -14.7 26.8 2.1 70 72 A G T <<5 + 0 0 40 -3,-2.7 -3,-0.2 -4,-0.5 2,-0.2 0.634 49.5 162.3 73.9 12.5 -14.1 29.6 4.6 71 73 A V < - 0 0 3 -5,-1.6 -1,-0.2 1,-0.1 -60,-0.2 -0.466 27.9-155.2 -65.3 136.1 -11.5 27.5 6.5 72 74 A K + 0 0 91 -62,-1.5 40,-2.8 -2,-0.2 2,-0.4 0.707 65.9 37.6 -97.3 -23.3 -9.4 29.9 8.6 73 75 A A E -cd 11 112B 0 -63,-1.9 -61,-1.5 38,-0.3 2,-0.5 -0.985 58.4-158.5-134.5 140.6 -6.1 28.1 9.0 74 76 A Y E -cd 12 113B 1 38,-2.1 40,-3.0 -2,-0.4 2,-0.6 -0.972 4.1-162.0-121.9 120.3 -3.9 25.9 6.8 75 77 A R E +cd 13 114B 0 -63,-2.7 -61,-2.3 -2,-0.5 2,-0.3 -0.884 27.1 155.0 -95.0 119.1 -1.4 23.5 8.2 76 78 A F E - d 0 115B 5 38,-2.1 40,-2.7 -2,-0.6 2,-0.3 -0.923 31.4-125.9-138.4 163.5 1.2 22.4 5.6 77 79 A S E - d 0 116B 1 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.771 12.0-128.6-115.2 163.3 4.7 21.1 5.6 78 80 A I - 0 0 0 38,-1.8 2,-1.0 -2,-0.3 41,-0.4 -0.902 21.1-125.6-110.5 130.9 7.9 22.1 4.0 79 81 A S >> - 0 0 10 -2,-0.5 3,-1.6 1,-0.2 4,-1.1 -0.696 15.8-154.8 -76.3 103.7 10.1 19.7 2.1 80 82 A W H >> S+ 0 0 0 -2,-1.0 4,-2.7 1,-0.3 3,-1.0 0.892 92.5 53.5 -43.4 -52.7 13.6 20.0 3.7 81 83 A P H 34 S+ 0 0 2 0, 0.0 -52,-2.2 0, 0.0 -1,-0.3 0.678 101.4 59.0 -69.4 -13.3 15.3 18.8 0.4 82 84 A R H <4 S+ 0 0 8 -3,-1.6 13,-0.4 -54,-0.3 14,-0.2 0.794 115.1 38.0 -71.4 -27.8 13.6 21.5 -1.7 83 85 A I H << S+ 0 0 0 -4,-1.1 9,-3.1 -3,-1.0 13,-0.2 0.916 135.8 16.9 -88.5 -50.2 15.2 24.0 0.5 84 86 A L S >< S- 0 0 0 -4,-2.7 3,-2.6 7,-0.2 -1,-0.3 -0.884 70.7-164.7-126.1 92.8 18.6 22.5 1.1 85 87 A P T 3 S+ 0 0 6 0, 0.0 40,-0.4 0, 0.0 -1,-0.1 0.788 93.6 37.0 -51.1 -33.7 19.1 19.7 -1.6 86 88 A E T 3 S- 0 0 99 4,-0.3 2,-0.8 2,-0.3 5,-0.1 0.185 117.1-112.0 -99.9 11.2 22.0 18.2 0.4 87 89 A G S < S+ 0 0 0 -3,-2.6 2,-0.3 -7,-0.2 57,-0.1 -0.178 94.0 36.8 89.2 -44.4 20.4 18.8 3.7 88 90 A T S S+ 0 0 32 -2,-0.8 2,-0.8 55,-0.1 -2,-0.3 -0.874 106.6 19.1-131.0 168.7 22.9 21.4 4.9 89 91 A G S S+ 0 0 50 -2,-0.3 -2,-0.0 -4,-0.1 0, 0.0 -0.622 97.9 66.0 79.3-108.8 24.9 24.2 3.1 90 92 A R - 0 0 136 -2,-0.8 2,-0.5 1,-0.1 -4,-0.3 -0.179 65.1-152.3 -63.5 133.1 23.4 25.2 -0.2 91 93 A V - 0 0 58 -7,-0.2 2,-0.7 -6,-0.1 -7,-0.2 -0.928 10.6-139.1-107.7 125.6 19.9 26.8 -0.2 92 94 A N >> - 0 0 17 -9,-3.1 4,-1.7 -2,-0.5 3,-0.8 -0.755 8.1-161.1 -88.5 108.2 17.7 26.4 -3.3 93 95 A Q H 3> S+ 0 0 103 -2,-0.7 4,-2.7 1,-0.3 -1,-0.2 0.867 89.9 57.4 -64.1 -32.6 15.9 29.7 -4.1 94 96 A K H 3> S+ 0 0 117 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.779 104.2 52.0 -66.9 -28.4 13.3 27.9 -6.2 95 97 A G H <> S+ 0 0 2 -3,-0.8 4,-1.5 -13,-0.4 -1,-0.2 0.912 111.3 47.1 -70.2 -44.4 12.3 25.8 -3.3 96 98 A L H X S+ 0 0 1 -4,-1.7 4,-2.9 -14,-0.2 -2,-0.2 0.915 109.1 54.8 -58.9 -46.2 11.9 28.9 -1.2 97 99 A D H X S+ 0 0 60 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.904 102.5 58.1 -57.4 -46.8 9.9 30.6 -4.0 98 100 A F H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.941 114.4 35.1 -43.6 -59.8 7.4 27.6 -4.0 99 101 A Y H X S+ 0 0 1 -4,-1.5 4,-3.2 2,-0.2 -2,-0.2 0.859 112.4 60.5 -71.6 -36.7 6.5 28.1 -0.4 100 102 A N H X S+ 0 0 28 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.927 105.7 48.8 -50.6 -48.6 6.8 31.9 -0.5 101 103 A R H X S+ 0 0 110 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.893 113.1 47.2 -60.7 -42.1 4.0 32.0 -3.2 102 104 A I H X S+ 0 0 2 -4,-1.4 4,-2.3 -5,-0.2 -2,-0.2 0.929 113.3 48.6 -63.5 -46.1 1.8 29.7 -1.0 103 105 A I H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.951 112.6 47.0 -61.1 -49.0 2.5 31.8 2.1 104 106 A D H X S+ 0 0 58 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.868 111.5 50.8 -64.1 -39.5 1.7 35.1 0.4 105 107 A T H X S+ 0 0 19 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.892 109.1 51.3 -64.4 -45.0 -1.5 33.8 -1.2 106 108 A L H <>S+ 0 0 0 -4,-2.3 5,-2.9 2,-0.2 3,-0.2 0.952 112.9 45.2 -52.7 -55.3 -2.8 32.4 2.1 107 109 A L H ><5S+ 0 0 69 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.902 109.8 53.9 -59.3 -46.3 -2.2 35.8 3.8 108 110 A E H 3<5S+ 0 0 163 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.844 113.0 45.5 -55.3 -35.8 -3.8 37.8 1.0 109 111 A K T 3<5S- 0 0 58 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.319 119.0-111.3 -92.3 8.3 -6.8 35.5 1.4 110 112 A G T < 5 + 0 0 60 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.750 69.5 140.8 67.4 25.6 -6.9 35.8 5.2 111 113 A I < - 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