==== 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 09-JAN-06 2CBV . COMPND 2 MOLECULE: BETA-GLUCOSIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR T.M.GLOSTER,R.MADSEN,G.J.DAVIES . 885 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33024.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 685 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 109 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 3.7 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 . 70 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 12.4 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 . 23 2.6 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 3 0 4 1 4 0 0 2 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 7 6 0 0 0 0 1 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 3 0 0 0 0 0 1 1 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,-0.5 0, 0.0 442,-0.3 0.000 360.0 360.0 360.0 153.8 -25.9 23.9 19.9 2 4 A K E -A 442 0A 84 440,-3.3 440,-1.7 2,-0.0 2,-0.3 -0.830 360.0-173.2-127.3 93.0 -22.2 23.7 20.7 3 5 A K E -A 441 0A 126 -2,-0.5 438,-0.2 438,-0.2 437,-0.1 -0.699 12.9-142.2 -92.1 136.9 -20.4 27.0 20.1 4 6 A F - 0 0 9 436,-2.7 3,-0.1 -2,-0.3 4,-0.1 -0.448 38.0 -74.5 -89.4 165.9 -16.6 27.2 20.3 5 7 A P > - 0 0 57 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 -0.187 61.2 -86.3 -58.6 153.4 -14.6 30.2 21.8 6 8 A E T 3 S+ 0 0 198 1,-0.2 434,-0.0 -3,-0.1 -3,-0.0 -0.354 116.2 16.9 -57.6 136.3 -14.4 33.4 19.7 7 9 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.2 -3,-0.1 2,-0.0 0.585 83.3 162.9 72.3 10.6 -11.4 33.2 17.3 8 10 A F < - 0 0 13 -3,-1.7 2,-1.0 1,-0.1 384,-0.2 -0.363 41.9-119.4 -57.6 138.0 -11.1 29.4 17.6 9 11 A L E -b 392 0B 28 382,-2.5 384,-2.3 62,-0.0 2,-0.5 -0.747 26.8-168.9 -97.4 102.1 -9.0 28.2 14.6 10 12 A W E +b 393 0B 4 -2,-1.0 63,-1.4 382,-0.2 62,-1.3 -0.746 25.8 164.2 -84.0 125.9 -10.8 25.8 12.3 11 13 A G E -bc 394 73B 0 382,-2.8 384,-2.2 -2,-0.5 2,-0.3 -0.793 36.1-137.9-134.7 175.4 -8.3 24.3 9.9 12 14 A V E -bc 395 74B 0 61,-1.4 63,-2.7 382,-0.3 2,-0.4 -0.945 25.1-146.7-129.2 158.1 -7.4 21.6 7.4 13 15 A A E +bc 396 75B 0 382,-2.5 385,-1.1 -2,-0.3 384,-0.6 -0.949 20.9 162.6-132.9 147.5 -4.1 19.8 7.2 14 16 A T - 0 0 1 61,-2.3 2,-0.3 -2,-0.4 387,-0.0 -0.853 25.2-132.8-141.7 178.2 -1.8 18.2 4.6 15 17 A A > - 0 0 0 -2,-0.3 4,-1.3 61,-0.2 5,-0.3 -0.986 22.6-120.5-140.2 145.3 1.9 17.1 4.2 16 18 A S H > S+ 0 0 1 -2,-0.3 4,-2.7 1,-0.2 3,-0.5 0.872 109.0 42.2 -53.0 -55.4 4.3 17.9 1.4 17 19 A Y H 4 S+ 0 0 11 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.833 112.3 56.9 -66.7 -29.3 5.2 14.4 0.2 18 20 A Q H 4 S+ 0 0 1 -3,-0.1 384,-2.3 1,-0.1 -1,-0.2 0.796 126.0 12.9 -73.6 -28.1 1.6 13.2 0.5 19 21 A I H < S+ 0 0 2 -4,-1.3 36,-2.2 -3,-0.5 34,-0.8 0.700 110.0 72.3-117.3 -29.6 0.1 15.9 -1.9 20 22 A E < - 0 0 6 -4,-2.7 36,-2.4 -5,-0.3 37,-0.3 0.895 60.1-175.4 -66.0 -48.1 2.8 17.7 -3.8 21 23 A G + 0 0 2 -5,-0.4 30,-0.3 -4,-0.3 29,-0.2 -0.225 55.6 83.8 66.8-174.6 4.2 15.3 -6.5 22 24 A S > + 0 0 37 28,-2.6 3,-1.9 1,-0.1 28,-0.1 0.893 53.9 174.6 48.6 50.0 7.1 16.5 -8.6 23 25 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 0.757 76.6 38.5 -61.1 -24.9 9.6 15.5 -5.9 24 26 A L T > S+ 0 0 86 26,-0.1 3,-0.6 3,-0.1 -2,-0.1 0.256 88.9 127.3-109.1 13.8 12.6 16.3 -8.1 25 27 A A G X S+ 0 0 28 -3,-1.9 3,-1.4 1,-0.2 4,-0.0 -0.371 70.7 7.3 -72.9 147.8 11.3 19.5 -9.7 26 28 A D G 3 S- 0 0 73 1,-0.3 -1,-0.2 -2,-0.1 68,-0.2 0.840 134.7 -48.1 56.3 43.9 13.2 22.7 -9.7 27 29 A G G < S+ 0 0 44 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.518 89.0 158.8 81.8 6.2 16.5 21.5 -8.2 28 30 A A < - 0 0 13 -3,-1.4 54,-0.3 -4,-0.1 -1,-0.2 -0.289 37.0-127.9 -60.2 144.7 14.9 19.5 -5.2 29 31 A G - 0 0 14 52,-2.4 57,-0.1 1,-0.1 -1,-0.1 -0.542 34.6 -90.6 -84.1 161.4 17.1 16.8 -3.7 30 32 A M - 0 0 74 -2,-0.2 94,-2.5 55,-0.1 95,-0.5 -0.403 40.2-145.3 -62.3 148.0 15.7 13.3 -3.2 31 33 A S B > -K 123 0C 6 92,-0.3 4,-1.9 93,-0.1 3,-0.3 -0.724 27.4-108.1-105.1 167.2 13.9 12.6 0.1 32 34 A I H > S+ 0 0 4 90,-2.6 4,-2.1 -2,-0.3 5,-0.1 0.734 121.7 56.3 -65.3 -22.9 14.0 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 0.825 103.5 53.8 -79.6 -27.9 10.3 8.8 1.0 34 36 A H H > S+ 0 0 21 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.978 116.3 37.3 -61.1 -52.9 11.3 9.2 -2.6 35 37 A T H < S+ 0 0 33 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.852 117.5 51.5 -71.9 -36.9 13.9 6.4 -2.3 36 38 A F H >< S+ 0 0 10 -4,-2.1 3,-1.2 -5,-0.2 6,-0.3 0.927 112.7 44.0 -64.0 -47.3 11.8 4.2 0.1 37 39 A S H 3< S+ 0 0 6 -4,-2.2 6,-0.2 1,-0.3 -2,-0.2 0.762 109.4 57.9 -73.4 -23.1 8.7 4.3 -2.2 38 40 A H T 3< S+ 0 0 84 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.436 87.8 92.5 -81.6 2.2 10.9 3.6 -5.3 39 41 A T S X S- 0 0 71 -3,-1.2 3,-1.6 -5,-0.1 4,-0.3 -0.873 89.3-113.4 -96.4 116.9 12.1 0.4 -3.5 40 42 A P T 3 S+ 0 0 124 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.148 95.8 21.3 -49.0 139.6 9.9 -2.6 -4.6 41 43 A G T 3 S+ 0 0 79 2,-0.3 -4,-0.1 -4,-0.1 4,-0.1 0.217 96.9 94.6 91.1 -13.8 7.8 -4.1 -1.8 42 44 A N S < S+ 0 0 53 -3,-1.6 2,-0.4 -6,-0.3 -5,-0.1 0.804 83.3 39.3 -84.0 -31.5 7.7 -1.1 0.5 43 45 A V S > S- 0 0 9 -4,-0.3 3,-2.1 -6,-0.2 -2,-0.3 -0.966 94.3 -95.5-125.0 137.5 4.4 0.6 -0.5 44 46 A K G > S+ 0 0 74 361,-2.8 3,-2.1 -2,-0.4 364,-0.2 -0.154 107.0 0.8 -46.6 133.8 1.1 -0.9 -1.4 45 47 A N G 3 S- 0 0 113 1,-0.3 -1,-0.3 362,-0.1 361,-0.1 0.574 119.3 -78.7 61.0 9.9 0.6 -1.3 -5.2 46 48 A G G < S+ 0 0 55 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.696 81.9 168.7 72.2 17.5 4.1 0.2 -5.9 47 49 A D < - 0 0 34 -3,-2.1 2,-0.3 -4,-0.1 -1,-0.2 -0.288 9.5-178.9 -65.2 147.5 2.5 3.6 -5.3 48 50 A T - 0 0 24 -10,-0.1 4,-0.5 4,-0.0 3,-0.5 -0.875 41.1-111.2-135.4 174.2 4.9 6.6 -4.9 49 51 A G S S+ 0 0 1 -2,-0.3 -28,-0.3 -16,-0.2 -15,-0.1 0.116 80.4 114.7 -92.9 23.2 4.7 10.3 -4.3 50 52 A D S S- 0 0 58 -29,-0.2 -28,-2.6 -28,-0.1 -1,-0.2 0.877 99.5 -1.1 -59.0 -40.6 5.9 11.1 -7.9 51 53 A V S > S+ 0 0 86 -3,-0.5 3,-2.6 -30,-0.3 5,-0.2 0.735 83.4 153.5-116.2 -48.7 2.5 12.7 -8.8 52 54 A A T 3 S- 0 0 4 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.229 85.1 -22.5 52.1-129.6 0.2 12.4 -5.8 53 55 A C T 3 S- 0 0 0 -34,-0.8 -1,-0.3 -35,-0.2 -33,-0.1 0.277 83.8-123.0 -89.3 9.3 -2.4 15.3 -6.0 54 56 A D X> + 0 0 22 -3,-2.6 4,-2.4 1,-0.1 3,-1.7 0.793 58.5 153.8 49.9 32.2 -0.1 17.4 -8.2 55 57 A H H 3> + 0 0 4 -36,-2.2 4,-1.4 1,-0.3 -35,-0.2 0.779 60.0 73.9 -59.1 -24.4 -0.3 20.1 -5.6 56 58 A Y H 34 S+ 0 0 15 -36,-2.4 -1,-0.3 -37,-0.3 -35,-0.1 0.854 115.1 22.0 -59.1 -33.6 3.1 21.3 -6.8 57 59 A N H <4 S+ 0 0 102 -3,-1.7 3,-0.3 -37,-0.3 -2,-0.2 0.732 128.5 48.0 -97.2 -28.8 1.2 22.6 -9.9 58 60 A R H X S+ 0 0 70 -4,-2.4 4,-2.1 1,-0.2 3,-0.2 0.236 71.4 116.5-103.1 12.4 -2.3 22.9 -8.5 59 61 A W H X S+ 0 0 38 -4,-1.4 4,-2.3 1,-0.2 5,-0.2 0.803 75.0 52.2 -51.2 -42.6 -1.6 24.7 -5.2 60 62 A K H > S+ 0 0 115 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.946 109.8 48.8 -64.6 -47.7 -3.6 27.9 -6.1 61 63 A E H > S+ 0 0 88 1,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.923 112.2 50.3 -52.6 -48.9 -6.7 25.9 -7.0 62 64 A D H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.900 110.4 47.2 -61.6 -44.5 -6.4 24.0 -3.7 63 65 A I H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.905 107.9 57.3 -63.5 -41.8 -6.0 27.2 -1.6 64 66 A E H X S+ 0 0 52 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.865 105.5 51.8 -56.5 -34.5 -9.0 28.6 -3.5 65 67 A I H X S+ 0 0 27 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.923 108.4 49.6 -64.6 -46.5 -10.9 25.5 -2.2 66 68 A I H X>S+ 0 0 1 -4,-1.8 5,-1.5 2,-0.2 4,-0.5 0.946 114.6 46.0 -55.1 -50.1 -9.8 26.3 1.4 67 69 A E H ><5S+ 0 0 79 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.937 110.9 51.0 -58.2 -50.7 -11.0 29.9 0.9 68 70 A K H 3<5S+ 0 0 167 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.843 109.4 51.8 -60.9 -32.9 -14.3 28.9 -0.6 69 71 A L H 3<5S- 0 0 11 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.590 109.6-127.3 -77.6 -12.0 -14.9 26.6 2.3 70 72 A G T <<5 + 0 0 34 -3,-1.7 -3,-0.2 -4,-0.5 -2,-0.1 0.592 49.1 162.7 75.0 11.9 -14.2 29.5 4.7 71 73 A V < - 0 0 1 -5,-1.5 -1,-0.2 1,-0.1 -60,-0.2 -0.412 28.3-154.4 -62.7 133.6 -11.6 27.4 6.6 72 74 A K + 0 0 113 -62,-1.3 40,-2.7 39,-0.1 2,-0.3 0.595 66.8 38.8-100.2 -6.4 -9.6 29.8 8.6 73 75 A A E -cd 11 112B 0 -63,-1.4 -61,-1.4 38,-0.2 2,-0.4 -0.992 57.8-159.8-140.8 147.4 -6.2 27.9 9.0 74 76 A Y E -cd 12 113B 1 38,-2.5 40,-3.0 -2,-0.3 2,-0.6 -0.976 5.0-161.6-128.7 117.5 -4.1 25.7 6.8 75 77 A R E +cd 13 114B 0 -63,-2.7 -61,-2.3 -2,-0.4 2,-0.3 -0.880 27.5 154.4 -95.2 122.4 -1.5 23.3 8.3 76 78 A F E - d 0 115B 5 38,-2.0 40,-2.8 -2,-0.6 2,-0.3 -0.919 32.3-126.9-142.2 161.9 1.0 22.3 5.6 77 79 A S E - d 0 116B 2 -2,-0.3 2,-0.4 38,-0.2 40,-0.2 -0.802 12.4-128.6-115.0 159.5 4.6 21.1 5.7 78 80 A I - 0 0 0 38,-1.8 2,-0.9 -2,-0.3 41,-0.4 -0.888 22.9-124.3-103.5 132.3 7.7 22.1 3.9 79 81 A S >> - 0 0 10 -2,-0.4 3,-1.3 1,-0.2 4,-1.1 -0.702 16.1-153.4 -74.4 106.2 9.9 19.6 2.0 80 82 A W H >> S+ 0 0 1 -2,-0.9 4,-2.9 1,-0.2 3,-1.1 0.911 92.8 53.6 -45.2 -52.0 13.4 19.9 3.6 81 83 A P H 34 S+ 0 0 1 0, 0.0 -52,-2.4 0, 0.0 -1,-0.2 0.699 102.0 58.2 -67.6 -13.0 15.1 18.7 0.3 82 84 A R H <4 S+ 0 0 8 -3,-1.3 13,-0.4 -54,-0.3 14,-0.2 0.824 115.7 37.1 -72.2 -30.5 13.3 21.3 -1.8 83 85 A I H << S+ 0 0 0 -4,-1.1 9,-3.0 -3,-1.1 13,-0.2 0.905 136.4 16.7 -87.9 -47.7 14.9 23.9 0.5 84 86 A L S >< S- 0 0 0 -4,-2.9 3,-2.2 7,-0.2 -1,-0.3 -0.898 71.2-166.4-129.5 93.0 18.4 22.4 1.1 85 87 A P T 3 S+ 0 0 5 0, 0.0 40,-0.4 0, 0.0 -55,-0.1 0.763 91.6 39.0 -56.8 -27.7 18.8 19.7 -1.6 86 88 A E T 3 S- 0 0 110 4,-0.4 2,-0.6 2,-0.3 5,-0.1 0.220 117.2-111.6-103.9 10.1 21.8 18.2 0.2 87 89 A G S < S+ 0 0 0 -3,-2.2 2,-0.3 3,-0.2 57,-0.1 -0.179 94.5 31.9 90.7 -45.4 20.2 18.7 3.7 88 90 A T S S+ 0 0 44 -2,-0.6 2,-0.8 55,-0.1 -2,-0.3 -0.930 108.1 23.1-133.6 164.1 22.7 21.4 4.8 89 91 A G S S+ 0 0 50 -2,-0.3 -2,-0.0 -4,-0.1 0, 0.0 -0.743 96.1 65.8 90.8-108.2 24.7 24.0 2.9 90 92 A R - 0 0 136 -2,-0.8 2,-0.5 1,-0.1 -4,-0.4 -0.243 64.9-151.2 -62.6 131.6 23.1 25.1 -0.4 91 93 A V - 0 0 59 -7,-0.2 2,-0.8 -6,-0.1 -7,-0.2 -0.909 9.0-141.7-101.6 126.0 19.7 26.8 -0.3 92 94 A N >> - 0 0 15 -9,-3.0 4,-1.9 -2,-0.5 3,-1.0 -0.786 6.4-161.7 -90.9 107.1 17.5 26.3 -3.3 93 95 A Q H 3> S+ 0 0 103 -2,-0.8 4,-2.9 1,-0.3 -1,-0.1 0.812 89.6 59.5 -62.2 -29.2 15.6 29.6 -4.1 94 96 A K H 3> S+ 0 0 113 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.805 103.9 50.8 -71.3 -28.5 13.0 27.8 -6.2 95 97 A G H <> S+ 0 0 2 -3,-1.0 4,-1.5 -13,-0.4 -2,-0.2 0.919 112.7 46.0 -69.3 -46.6 12.0 25.7 -3.2 96 98 A L H X S+ 0 0 2 -4,-1.9 4,-2.7 -14,-0.2 -2,-0.2 0.921 109.6 55.4 -58.5 -44.5 11.7 28.9 -1.2 97 99 A D H X S+ 0 0 60 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.906 103.7 55.5 -56.2 -47.5 9.7 30.5 -4.1 98 100 A F H X S+ 0 0 0 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.908 114.8 37.0 -51.9 -50.7 7.2 27.6 -4.1 99 101 A Y H X S+ 0 0 1 -4,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.826 110.9 61.4 -77.6 -30.1 6.3 28.0 -0.4 100 102 A N H X S+ 0 0 28 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.931 104.9 48.6 -55.9 -48.8 6.5 31.8 -0.6 101 103 A R H X S+ 0 0 108 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.887 112.7 48.1 -58.0 -42.9 3.7 31.8 -3.1 102 104 A I H X S+ 0 0 2 -4,-1.3 4,-2.5 -5,-0.2 -2,-0.2 0.945 114.2 46.3 -60.5 -51.9 1.6 29.5 -0.9 103 105 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.937 113.6 47.6 -57.1 -51.6 2.2 31.7 2.2 104 106 A D H X S+ 0 0 63 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.868 113.0 49.9 -59.7 -39.6 1.5 35.0 0.4 105 107 A T H X S+ 0 0 18 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.882 109.3 49.8 -67.5 -46.0 -1.7 33.6 -1.1 106 108 A L H <>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 -2,-0.2 0.942 113.3 47.3 -55.3 -53.0 -3.0 32.3 2.2 107 109 A L H ><5S+ 0 0 64 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.905 108.4 53.8 -57.1 -47.6 -2.3 35.7 3.9 108 110 A E H 3<5S+ 0 0 158 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.870 113.0 46.0 -52.6 -37.1 -4.0 37.6 1.0 109 111 A K T 3<5S- 0 0 62 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.323 117.9-111.1 -91.8 6.3 -7.0 35.4 1.6 110 112 A G T < 5 + 0 0 42 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.799 69.8 140.2 67.8 30.4 -7.1 35.7 5.4 111 113 A I < - 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0 0 21 54,-1.4 4,-2.1 -2,-0.6 3,-0.8 0.898 65.5-174.6 51.2 59.1 4.7 12.5 15.0 165 167 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.772 80.7 62.8 -61.0 -25.6 8.3 11.8 16.1 166 168 A W H 3>>S+ 0 0 16 2,-0.2 4,-3.4 1,-0.2 5,-0.5 0.943 106.9 43.5 -57.6 -48.6 7.2 8.5 17.7 167 169 A V H <>>S+ 0 0 11 -3,-0.8 5,-1.6 3,-0.2 4,-1.1 0.934 112.0 53.8 -62.1 -47.7 6.2 7.2 14.2 168 170 A V H <5S+ 0 0 10 -4,-2.1 4,-0.2 -5,-0.2 -2,-0.2 0.925 120.4 32.6 -50.1 -51.4 9.4 8.7 12.7 169 171 A A H X5S+ 0 0 0 -4,-2.5 4,-2.0 3,-0.2 5,-0.3 0.973 130.4 29.9 -72.6 -55.1 11.6 6.8 15.2 170 172 A I H X>S+ 0 0 0 -4,-3.4 5,-2.7 -5,-0.3 4,-1.9 0.938 126.3 37.0 -82.8 -47.9 9.6 3.6 15.8 171 173 A V H < S- 0 0 27 -7,-1.6 3,-2.4 4,-0.2 4,-0.3 -0.831 105.0 -38.1-116.6 162.7 8.1 3.7 6.9 179 181 A A T 3 S+ 0 0 7 1,-0.4 -146,-0.1 -2,-0.3 -6,-0.1 -0.313 125.2 29.8 -53.3 142.0 11.3 5.4 5.5 180 182 A P T 3 S- 0 0 33 0, 0.0 -1,-0.4 0, 0.0 -7,-0.1 -0.973 93.3-144.7 -84.7 10.3 14.1 4.8 6.0 181 183 A G < + 0 0 31 -3,-2.4 2,-0.3 -9,-0.5 -8,-0.2 0.875 39.5 152.0 77.3 41.6 12.8 1.2 6.5 182 184 A M - 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