==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JUL-00 1FHD . COMPND 2 MOLECULE: BETA-1,4-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; . AUTHOR V.NOTENBOOM,S.J.WILLIAMS,R.HOOS,S.G.WITHERS,D.R.ROSE . 312 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11700.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 3.5 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 18 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 3 0 1 0 2 1 1 0 1 1 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 4 2 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 PARALLEL BRIDGES PER LADDER . 4 1 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 . 1 2 0 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 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 1 A A 0 0 90 0, 0.0 3,-0.1 0, 0.0 308,-0.0 0.000 360.0 360.0 360.0 -59.4 -48.0 43.1 63.7 2 2 A T + 0 0 101 1,-0.2 2,-0.3 307,-0.0 307,-0.1 0.620 360.0 27.6-113.9 -29.4 -45.9 40.2 65.3 3 3 A T S > S- 0 0 21 1,-0.1 4,-1.9 306,-0.1 -1,-0.2 -0.850 79.9-113.8-130.3 166.9 -48.5 37.4 64.9 4 4 A L H > S+ 0 0 0 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.875 118.1 56.8 -68.1 -34.8 -51.3 36.6 62.6 5 5 A K H > S+ 0 0 68 30,-0.4 4,-3.6 1,-0.2 5,-0.2 0.937 107.0 48.3 -59.4 -47.4 -53.7 37.1 65.5 6 6 A E H > S+ 0 0 82 29,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.887 111.4 50.8 -59.5 -41.0 -52.4 40.6 66.0 7 7 A A H X S+ 0 0 10 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.958 116.1 40.3 -63.1 -49.2 -52.8 41.3 62.3 8 8 A A H X>S+ 0 0 0 -4,-2.9 5,-2.4 2,-0.2 4,-1.3 0.916 115.6 50.6 -65.7 -46.2 -56.4 40.1 62.3 9 9 A D H ><5S+ 0 0 70 -4,-3.6 3,-1.0 1,-0.2 -2,-0.2 0.955 111.5 48.8 -55.9 -51.7 -57.3 41.7 65.6 10 10 A G H 3<5S+ 0 0 71 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.793 110.4 51.6 -59.6 -29.5 -55.9 45.0 64.4 11 11 A A H 3<5S- 0 0 29 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.687 112.9-119.3 -80.8 -18.5 -57.9 44.7 61.2 12 12 A G T <<5S+ 0 0 64 -4,-1.3 2,-0.3 -3,-1.0 -3,-0.2 0.788 77.2 108.0 83.8 28.8 -61.1 44.0 63.1 13 13 A R < - 0 0 39 -5,-2.4 -1,-0.3 -6,-0.1 2,-0.3 -0.795 69.0-103.4-130.0 173.8 -61.6 40.6 61.5 14 14 A D E -a 269 0A 25 254,-2.4 256,-2.4 -2,-0.3 2,-0.3 -0.741 22.3-175.3-101.3 148.5 -61.3 37.0 62.6 15 15 A F E +a 270 0A 1 -2,-0.3 23,-2.1 254,-0.2 24,-0.8 -0.877 24.2 166.5-141.2 101.7 -58.5 34.5 61.8 16 16 A G E -ab 271 39A 0 254,-1.7 256,-2.7 -2,-0.3 2,-0.3 -0.568 23.4-144.1-114.5 179.7 -59.3 31.1 63.0 17 17 A F E -ab 272 40A 0 22,-1.2 24,-1.9 254,-0.2 2,-0.7 -0.969 27.8-106.0-142.0 155.5 -58.2 27.5 62.7 18 18 A A E - b 0 41A 1 254,-1.4 2,-0.3 -2,-0.3 24,-0.2 -0.754 44.7-150.1 -84.2 118.3 -59.7 24.0 62.6 19 19 A L E - b 0 42A 0 22,-3.4 24,-2.4 -2,-0.7 25,-0.5 -0.740 20.4-162.6 -98.7 138.2 -58.9 22.4 66.0 20 20 A D > - 0 0 40 -2,-0.3 3,-1.8 22,-0.2 4,-0.4 -0.967 16.7-151.8-112.4 106.0 -58.4 18.8 66.9 21 21 A P G > S+ 0 0 14 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.780 91.4 63.2 -51.3 -30.3 -58.8 18.7 70.7 22 22 A N G > S+ 0 0 122 1,-0.3 3,-1.1 2,-0.2 4,-0.1 0.808 94.6 61.2 -66.8 -28.2 -56.5 15.7 71.0 23 23 A R G X S+ 0 0 86 -3,-1.8 3,-2.5 1,-0.2 7,-0.4 0.644 80.7 83.7 -72.9 -14.0 -53.6 17.7 69.6 24 24 A L G < S+ 0 0 11 -3,-1.2 -1,-0.2 -4,-0.4 6,-0.2 0.759 80.6 64.8 -61.2 -21.8 -53.9 20.2 72.5 25 25 A S G < S+ 0 0 116 -3,-1.1 2,-0.8 -4,-0.3 -1,-0.3 0.532 84.4 85.4 -77.8 -4.5 -51.7 17.7 74.5 26 26 A E S <> S- 0 0 49 -3,-2.5 4,-2.2 1,-0.2 3,-0.4 -0.879 77.0-150.6 -98.4 106.0 -49.0 18.5 71.9 27 27 A A H > S+ 0 0 80 -2,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.812 91.0 50.0 -44.2 -49.4 -47.3 21.6 73.4 28 28 A Q H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.910 110.7 50.7 -59.8 -45.2 -46.2 23.1 70.1 29 29 A Y H > S+ 0 0 7 -3,-0.4 4,-2.2 -6,-0.2 -2,-0.2 0.940 112.9 46.2 -58.2 -48.4 -49.6 22.7 68.6 30 30 A K H X S+ 0 0 76 -4,-2.2 4,-3.0 -7,-0.4 -2,-0.2 0.888 108.5 56.1 -62.3 -40.9 -51.2 24.4 71.6 31 31 A A H X S+ 0 0 44 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.918 111.8 41.4 -59.2 -46.6 -48.6 27.2 71.6 32 32 A I H X S+ 0 0 12 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.894 114.7 52.3 -68.8 -40.5 -49.4 28.2 68.0 33 33 A A H X S+ 0 0 0 -4,-2.2 4,-0.8 -5,-0.2 -2,-0.2 0.929 110.4 48.7 -60.5 -46.7 -53.1 27.8 68.5 34 34 A D H < S+ 0 0 56 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.888 123.4 28.9 -61.3 -42.5 -53.1 30.0 71.6 35 35 A S H < S+ 0 0 56 -4,-1.8 -30,-0.4 -5,-0.2 -29,-0.3 0.607 115.9 51.3-100.9 -11.0 -51.1 32.9 70.0 36 36 A E H < S+ 0 0 10 -4,-2.4 2,-0.3 -32,-0.1 -3,-0.1 0.518 103.0 48.4-107.3 -3.2 -51.9 32.9 66.3 37 37 A F < - 0 0 0 -4,-0.8 -21,-0.2 -5,-0.2 -32,-0.1 -0.928 45.1-165.3-135.9 159.0 -55.7 32.9 66.1 38 38 A N S S+ 0 0 17 -23,-2.1 38,-2.3 -2,-0.3 2,-0.3 0.156 80.5 50.0-123.8 12.2 -58.7 34.6 67.6 39 39 A L E -bc 16 76A 0 -24,-0.8 -22,-1.2 36,-0.3 2,-0.4 -0.993 62.7-163.1-150.5 147.0 -61.3 32.1 66.4 40 40 A V E -bc 17 77A 0 36,-2.8 38,-3.0 -2,-0.3 2,-0.3 -0.987 5.9-176.8-136.8 145.6 -61.7 28.4 66.6 41 41 A V E -bc 18 78A 2 -24,-1.9 -22,-3.4 -2,-0.4 2,-0.4 -0.985 35.0-109.9-136.3 144.1 -63.8 25.7 64.9 42 42 A A E -b 19 0A 0 36,-0.7 -22,-0.2 -2,-0.3 4,-0.1 -0.633 18.3-155.6 -76.4 125.5 -63.9 22.0 65.6 43 43 A E S S- 0 0 25 -24,-2.4 -1,-0.2 -2,-0.4 -23,-0.1 0.856 86.9 -20.7 -68.8 -33.0 -62.4 20.1 62.7 44 44 A N S > S+ 0 0 60 -25,-0.5 3,-1.9 3,-0.1 6,-0.3 0.509 114.2 91.3-145.9 -26.9 -64.4 17.0 63.6 45 45 A A T 3 S+ 0 0 7 -26,-0.4 18,-0.4 1,-0.3 19,-0.1 0.655 92.6 44.5 -55.6 -23.1 -65.7 17.1 67.2 46 46 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 16,-0.1 2,-0.1 0.316 87.9 111.3-108.0 12.1 -69.0 18.8 66.5 47 47 A K S X> S- 0 0 11 -3,-1.9 4,-1.4 1,-0.1 3,-0.5 -0.324 83.4-103.7 -77.7 165.2 -70.0 16.7 63.5 48 48 A W H >> S+ 0 0 8 33,-0.4 4,-3.2 1,-0.2 3,-0.7 0.921 120.4 52.9 -56.1 -49.5 -72.9 14.3 63.6 49 49 A D H 34 S+ 0 0 64 38,-1.5 -1,-0.2 1,-0.2 39,-0.1 0.794 113.8 44.9 -59.2 -27.6 -70.7 11.2 63.9 50 50 A A H <4 S+ 0 0 30 -3,-0.5 -1,-0.2 -6,-0.3 12,-0.2 0.671 122.5 34.7 -89.3 -19.1 -68.9 12.8 66.8 51 51 A T H << S+ 0 0 0 -4,-1.4 8,-2.3 -3,-0.7 -2,-0.2 0.750 126.2 27.8-107.9 -31.4 -72.0 14.0 68.6 52 52 A E < + 0 0 0 -4,-3.2 6,-0.2 6,-0.2 -1,-0.2 -0.581 59.5 162.3-135.4 74.5 -74.8 11.5 68.0 53 53 A P S S+ 0 0 70 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.752 76.4 22.7 -61.2 -30.3 -73.2 8.0 67.5 54 54 A S B > S-I 57 0B 69 3,-0.9 3,-2.2 37,-0.1 2,-0.0 -0.938 112.4 -68.2-135.5 156.0 -76.5 6.2 68.2 55 55 A Q T 3 S- 0 0 100 -2,-0.3 3,-0.1 1,-0.3 48,-0.0 -0.226 114.8 -12.7 -55.7 122.8 -80.1 7.6 68.0 56 56 A N T 3 S+ 0 0 96 1,-0.2 2,-0.6 47,-0.1 -1,-0.3 0.680 106.9 117.3 59.8 22.2 -80.8 10.3 70.6 57 57 A S B < -I 54 0B 65 -3,-2.2 -3,-0.9 2,-0.0 2,-0.3 -0.959 52.0-157.5-118.7 110.7 -77.6 9.3 72.4 58 58 A F - 0 0 44 -2,-0.6 2,-0.5 -6,-0.2 -6,-0.2 -0.696 19.8-166.1-101.3 144.6 -75.1 12.2 72.6 59 59 A S + 0 0 65 -8,-2.3 4,-0.3 -2,-0.3 3,-0.2 -0.872 20.9 159.8-123.6 92.1 -71.4 12.3 73.0 60 60 A F > + 0 0 26 -2,-0.5 4,-3.6 1,-0.2 5,-0.3 0.410 42.9 101.8 -96.0 0.8 -70.3 15.9 73.8 61 61 A G H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 87.8 38.7 -49.4 -56.8 -67.0 15.3 75.4 62 62 A A H > S+ 0 0 45 -12,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.896 118.5 48.9 -63.8 -42.3 -64.8 16.2 72.4 63 63 A G H > S+ 0 0 0 -18,-0.4 4,-2.4 -4,-0.3 -2,-0.2 0.909 110.1 51.9 -64.4 -42.0 -67.1 19.1 71.4 64 64 A D H X S+ 0 0 64 -4,-3.6 4,-3.2 1,-0.2 5,-0.2 0.896 105.5 55.8 -60.2 -41.3 -67.1 20.4 75.0 65 65 A R H X S+ 0 0 106 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.886 108.7 46.7 -59.3 -41.7 -63.3 20.3 75.0 66 66 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.930 113.9 48.6 -66.1 -44.0 -63.1 22.5 71.9 67 67 A A H X S+ 0 0 7 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.913 110.8 49.9 -62.5 -44.2 -65.7 24.9 73.4 68 68 A S H X S+ 0 0 56 -4,-3.2 4,-3.0 1,-0.2 -1,-0.2 0.864 107.7 55.5 -62.5 -37.0 -63.8 25.1 76.7 69 69 A Y H X S+ 0 0 4 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.934 108.1 47.4 -61.9 -46.9 -60.6 25.8 74.8 70 70 A A H X>S+ 0 0 2 -4,-2.0 5,-2.8 2,-0.2 4,-0.9 0.926 115.2 45.4 -60.8 -46.2 -62.2 28.8 73.0 71 71 A A H <5S+ 0 0 80 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.919 112.9 51.0 -64.5 -42.8 -63.6 30.1 76.3 72 72 A D H <5S+ 0 0 133 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.807 118.4 37.1 -65.9 -29.6 -60.3 29.6 78.1 73 73 A T H <5S- 0 0 46 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.442 111.3-115.2-102.6 -0.3 -58.3 31.4 75.5 74 74 A G T <5 + 0 0 69 -4,-0.9 2,-0.3 -3,-0.5 -3,-0.2 0.859 64.1 145.9 72.0 36.1 -60.8 34.1 74.7 75 75 A K < - 0 0 17 -5,-2.8 -36,-0.3 -6,-0.2 -1,-0.2 -0.825 55.0-104.8-109.7 148.7 -61.5 33.1 71.1 76 76 A E E -c 39 0A 55 -38,-2.3 -36,-2.8 -2,-0.3 2,-0.5 -0.367 35.9-135.6 -63.4 143.3 -64.6 33.2 69.1 77 77 A L E -c 40 0A 6 41,-0.4 43,-2.4 -38,-0.2 44,-0.9 -0.922 16.3-166.2-109.6 126.5 -66.2 29.8 68.7 78 78 A Y E -cd 41 121A 6 -38,-3.0 -36,-0.7 -2,-0.5 2,-0.4 -0.939 16.7-136.4-111.3 128.0 -67.5 28.7 65.3 79 79 A G E - d 0 122A 0 42,-3.8 44,-2.2 -2,-0.5 2,-0.3 -0.724 15.8-150.9 -87.4 142.0 -69.8 25.6 65.1 80 80 A H E - d 0 123A 3 -2,-0.4 -34,-0.5 1,-0.2 -38,-0.1 -0.970 51.9 -13.2-158.7 118.6 -69.4 22.9 62.4 81 81 A T E + 0 0 1 42,-0.5 -33,-0.4 -2,-0.3 -1,-0.2 0.559 37.4 161.4-151.2 148.4 -71.6 21.2 61.4 82 82 A L E S+ 0 0 0 41,-1.7 2,-0.5 1,-0.3 42,-0.2 0.915 87.6 28.0 -88.9 -35.8 -75.2 20.3 62.2 83 83 A V E S+ d 0 125A 1 41,-1.7 43,-2.6 40,-0.5 2,-0.3 -0.949 73.1 141.4-125.3 114.2 -76.4 18.9 58.8 84 84 A W E - d 0 126A 33 -2,-0.5 43,-0.1 41,-0.2 -36,-0.1 -0.994 48.9-134.8-150.6 141.8 -74.0 17.3 56.4 85 85 A H S S+ 0 0 30 41,-0.5 3,-0.4 -2,-0.3 2,-0.2 0.736 88.1 70.4 -70.0 -21.3 -74.2 14.3 54.0 86 86 A S S S+ 0 0 49 1,-0.2 -38,-0.2 53,-0.1 -37,-0.2 -0.610 96.0 21.9 -98.7 158.3 -70.7 13.1 55.1 87 87 A Q S S+ 0 0 61 1,-0.2 -38,-1.5 -2,-0.2 -1,-0.2 0.899 84.2 149.8 51.8 44.4 -69.6 11.6 58.4 88 88 A L - 0 0 8 -3,-0.4 -1,-0.2 -40,-0.2 5,-0.1 -0.933 49.2-115.9-107.1 121.5 -73.3 10.7 59.0 89 89 A P >> - 0 0 21 0, 0.0 4,-1.6 0, 0.0 3,-0.9 -0.200 19.4-117.4 -60.2 150.2 -73.7 7.5 61.1 90 90 A D H 3> S+ 0 0 115 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.792 110.6 63.8 -57.5 -32.2 -75.4 4.5 59.5 91 91 A W H 34 S+ 0 0 43 -38,-0.3 -1,-0.2 1,-0.2 4,-0.2 0.881 104.9 46.8 -62.3 -36.0 -78.3 4.5 61.9 92 92 A A H X4 S+ 0 0 0 -3,-0.9 3,-1.8 1,-0.2 -1,-0.2 0.927 109.4 53.5 -69.9 -44.2 -79.4 7.9 60.5 93 93 A K H 3< S+ 0 0 91 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.751 102.3 60.3 -62.0 -24.3 -78.9 6.7 56.9 94 94 A N T 3< S+ 0 0 122 -4,-1.5 -1,-0.3 -3,-0.0 2,-0.2 0.508 90.6 86.9 -82.9 -4.6 -81.2 3.7 57.7 95 95 A L < - 0 0 32 -3,-1.8 2,-0.3 -4,-0.2 49,-0.0 -0.581 58.8-172.4 -92.6 158.2 -84.1 6.0 58.6 96 96 A N >> - 0 0 101 -2,-0.2 4,-1.4 49,-0.0 3,-1.3 -0.912 42.5 -7.6-143.8 169.3 -86.6 7.4 56.1 97 97 A G H 3> S- 0 0 41 47,-0.3 4,-2.4 -2,-0.3 3,-0.5 -0.014 127.2 -5.8 44.0-138.3 -89.5 9.8 55.7 98 98 A S H 3> S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.770 134.7 60.0 -56.9 -29.2 -90.7 11.4 59.0 99 99 A A H <> S+ 0 0 51 -3,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.933 109.6 41.9 -66.0 -43.8 -88.4 9.1 60.9 100 100 A F H X S+ 0 0 1 -4,-1.4 4,-2.1 -3,-0.5 -2,-0.2 0.877 113.5 51.9 -69.6 -40.7 -85.4 10.6 59.2 101 101 A E H X S+ 0 0 75 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.899 110.8 48.5 -64.3 -39.8 -86.7 14.2 59.3 102 102 A S H X S+ 0 0 69 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.914 108.9 52.4 -66.8 -41.9 -87.3 13.9 63.1 103 103 A A H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.906 112.1 47.9 -59.1 -41.6 -83.8 12.5 63.6 104 104 A M H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.958 114.4 43.8 -63.9 -52.5 -82.4 15.4 61.7 105 105 A V H X S+ 0 0 41 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.868 113.9 51.0 -63.4 -36.7 -84.4 18.0 63.6 106 106 A N H X S+ 0 0 57 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.904 110.6 50.1 -67.3 -39.1 -83.7 16.3 66.9 107 107 A H H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 5,-0.3 0.948 112.0 46.5 -62.6 -49.2 -80.0 16.3 66.1 108 108 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.937 115.1 47.2 -58.5 -48.0 -80.0 20.0 65.2 109 109 A T H X S+ 0 0 47 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.948 112.6 47.1 -61.5 -51.5 -82.0 20.9 68.3 110 110 A K H X S+ 0 0 90 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.901 116.7 42.6 -58.5 -45.4 -79.9 18.9 70.8 111 111 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.931 116.4 46.6 -70.3 -45.1 -76.5 20.1 69.5 112 112 A A H X S+ 0 0 0 -4,-2.4 4,-0.5 -5,-0.3 -2,-0.2 0.929 115.4 47.3 -61.8 -44.9 -77.5 23.8 69.1 113 113 A D H >< S+ 0 0 72 -4,-2.8 3,-1.2 -5,-0.3 -2,-0.2 0.945 109.1 54.1 -61.1 -48.4 -79.1 23.8 72.6 114 114 A H H 3< S+ 0 0 68 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.856 118.3 34.0 -55.2 -40.3 -76.1 22.1 74.1 115 115 A F H >X S+ 0 0 1 -4,-1.9 4,-2.5 -5,-0.1 3,-2.4 0.308 85.4 140.9-100.5 9.1 -73.7 24.8 72.8 116 116 A E T << S+ 0 0 77 -3,-1.2 4,-0.1 -4,-0.5 -3,-0.1 -0.233 73.8 15.3 -54.8 132.6 -76.1 27.7 73.0 117 117 A G T 34 S+ 0 0 74 2,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.370 125.5 61.4 83.9 -7.6 -74.3 30.8 74.2 118 118 A K T <4 S+ 0 0 132 -3,-2.4 2,-0.5 1,-0.3 -41,-0.4 0.721 91.4 60.9-112.5 -55.2 -70.9 29.3 73.5 119 119 A V < - 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