==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOSIDE HYDROLASE FAMILY 10 10-APR-00 1E0W . COMPND 2 MOLECULE: XYLANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES LIVIDANS; . AUTHOR V.DUCROS,S.J.CHARNOCK,U.DEREWENDA,Z.S.DEREWENDA,Z.DAUTER, . 302 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.6 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 11 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 1 1 1 3 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 5 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 0 116 0, 0.0 2,-0.3 0, 0.0 297,-0.1 0.000 360.0 360.0 360.0 150.0 0.4 51.3 10.6 2 2 A E - 0 0 89 295,-0.2 299,-0.1 2,-0.1 298,-0.0 -0.737 360.0-142.4-112.7 159.5 3.6 51.6 12.7 3 3 A S S S+ 0 0 86 -2,-0.3 2,-0.3 5,-0.0 294,-0.1 0.415 78.0 57.4-105.8 -0.0 7.0 52.9 11.7 4 4 A T S > S- 0 0 27 1,-0.1 4,-2.2 293,-0.1 5,-0.2 -0.922 80.8-119.7-128.7 156.0 9.4 50.5 13.5 5 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.918 110.0 46.5 -61.3 -49.9 9.7 46.7 13.4 6 6 A G H > S+ 0 0 2 31,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.921 114.1 47.0 -61.7 -45.2 9.0 46.0 17.0 7 7 A A H > S+ 0 0 34 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.882 112.1 51.1 -64.0 -39.7 5.9 48.3 17.2 8 8 A A H < S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.2 4,-0.3 0.908 111.5 47.4 -65.2 -41.8 4.5 46.8 14.0 9 9 A A H ><>S+ 0 0 2 -4,-2.5 5,-2.0 1,-0.2 3,-1.9 0.894 104.4 61.3 -64.0 -38.3 5.0 43.2 15.3 10 10 A A H ><5S+ 0 0 53 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.799 89.8 69.5 -63.0 -25.4 3.3 44.2 18.6 11 11 A Q T 3<5S+ 0 0 92 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.696 104.3 42.9 -63.8 -21.9 0.1 45.1 16.8 12 12 A S T < 5S- 0 0 50 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.122 125.3-102.6-105.2 17.1 -0.3 41.3 16.1 13 13 A G T < 5S+ 0 0 73 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.690 89.0 110.4 70.4 19.6 0.7 40.4 19.7 14 14 A R < - 0 0 47 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.557 59.1-125.6-119.0 175.4 4.2 39.3 18.5 15 15 A Y E -a 262 0A 19 246,-1.0 248,-1.7 -2,-0.2 2,-0.4 -0.863 1.9-151.9-121.0 162.8 7.8 40.6 18.8 16 16 A F E +a 263 0A 1 -2,-0.3 23,-2.1 246,-0.2 24,-0.6 -0.966 32.4 173.8-133.4 115.2 10.6 41.5 16.5 17 17 A G E -ab 264 40A 0 246,-2.8 248,-2.4 -2,-0.4 2,-0.3 -0.592 19.4-156.5-119.7 176.5 14.1 40.9 18.1 18 18 A T E -ab 265 41A 1 22,-1.8 24,-1.9 246,-0.3 2,-0.4 -0.924 28.3-103.4-142.7 168.3 17.8 41.0 17.4 19 19 A A E - b 0 42A 0 246,-0.8 2,-0.4 -2,-0.3 24,-0.2 -0.830 35.8-158.0 -89.4 135.2 21.1 39.5 18.7 20 20 A I E - b 0 43A 0 22,-2.5 24,-2.5 -2,-0.4 2,-0.4 -0.960 4.2-158.0-117.8 136.3 23.2 42.0 20.8 21 21 A A > - 0 0 9 -2,-0.4 3,-1.8 22,-0.2 4,-0.3 -0.955 15.8-140.7-114.3 131.1 26.9 41.8 21.4 22 22 A S G > S+ 0 0 33 -2,-0.4 3,-1.3 1,-0.3 4,-0.2 0.818 99.5 62.1 -60.4 -33.6 28.5 43.6 24.4 23 23 A G G 3 S+ 0 0 69 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.587 101.4 54.0 -68.4 -12.5 31.6 44.6 22.5 24 24 A R G X S+ 0 0 85 -3,-1.8 3,-1.9 1,-0.1 -1,-0.2 0.444 78.8 95.3 -99.2 -3.0 29.4 46.7 20.1 25 25 A L T < S+ 0 0 38 -3,-1.3 -1,-0.1 -4,-0.3 -2,-0.1 0.615 75.2 62.9 -71.8 -8.8 27.7 48.8 22.8 26 26 A S T 3 S+ 0 0 114 -3,-0.3 2,-0.7 -4,-0.2 -1,-0.3 0.517 81.7 95.1 -87.4 -5.3 30.1 51.7 22.5 27 27 A D <> - 0 0 54 -3,-1.9 4,-2.5 1,-0.1 5,-0.2 -0.789 62.7-160.6 -89.1 111.2 29.0 52.3 18.9 28 28 A S H > S+ 0 0 91 -2,-0.7 4,-1.7 1,-0.2 5,-0.2 0.752 88.9 54.4 -67.8 -26.5 26.3 55.0 19.0 29 29 A T H > S+ 0 0 65 2,-0.2 4,-2.2 3,-0.2 5,-0.3 0.933 111.5 46.2 -67.8 -48.0 24.8 54.1 15.6 30 30 A Y H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.932 115.2 44.7 -58.1 -51.6 24.4 50.5 16.7 31 31 A T H X S+ 0 0 32 -4,-2.5 4,-1.9 -7,-0.2 -1,-0.2 0.844 114.3 47.9 -68.0 -34.6 22.8 51.3 20.1 32 32 A S H X S+ 0 0 73 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.905 115.6 43.5 -75.1 -39.0 20.4 53.9 18.8 33 33 A I H X S+ 0 0 10 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.942 116.8 46.5 -68.2 -46.4 19.1 51.8 15.8 34 34 A A H X S+ 0 0 1 -4,-2.4 4,-1.5 -5,-0.3 -2,-0.2 0.895 112.3 52.2 -61.3 -41.8 18.8 48.7 18.0 35 35 A G H < S+ 0 0 19 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.913 114.7 41.7 -60.0 -43.2 17.1 50.7 20.7 36 36 A R H < S+ 0 0 125 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.867 119.7 38.3 -70.6 -42.4 14.5 52.1 18.2 37 37 A E H < S+ 0 0 1 -4,-2.3 -31,-2.4 -5,-0.1 2,-0.3 0.701 102.6 59.7 -92.6 -26.0 13.7 49.1 16.2 38 38 A F < - 0 0 5 -4,-1.5 -21,-0.2 -5,-0.2 3,-0.1 -0.856 40.4-173.3-117.1 149.1 13.5 45.9 18.3 39 39 A N S S+ 0 0 41 -23,-2.1 38,-1.8 -2,-0.3 2,-0.3 0.278 76.4 52.7-117.7 9.8 11.4 44.8 21.4 40 40 A M E -bc 17 77A 2 -24,-0.6 -22,-1.8 36,-0.2 2,-0.4 -0.994 64.7-162.4-146.1 140.7 13.3 41.5 22.1 41 41 A V E -bc 18 78A 1 36,-2.1 38,-2.5 -2,-0.3 2,-0.4 -0.987 9.1-169.9-128.3 141.3 17.0 40.8 22.7 42 42 A T E -bc 19 79A 1 -24,-1.9 -22,-2.5 -2,-0.4 2,-0.4 -0.991 30.7-123.1-118.2 134.2 19.2 37.6 22.6 43 43 A A E -b 20 0A 0 36,-0.6 4,-0.2 -2,-0.4 -22,-0.2 -0.630 18.1-146.2 -73.8 128.7 22.8 37.9 23.9 44 44 A E S S- 0 0 26 -24,-2.5 -1,-0.2 -2,-0.4 -23,-0.1 0.893 81.6 -17.4 -65.4 -41.6 25.0 36.7 21.0 45 45 A N S > S+ 0 0 64 -25,-0.3 3,-1.4 3,-0.1 6,-0.3 0.536 111.5 90.2-135.4 -18.0 27.7 35.0 23.2 46 46 A E T 3 S+ 0 0 14 1,-0.3 18,-0.4 17,-0.1 17,-0.1 0.576 89.5 47.7 -75.8 -14.0 27.5 36.2 26.8 47 47 A M T 3 S+ 0 0 1 34,-0.5 -1,-0.3 -4,-0.2 -3,-0.0 0.250 85.3 114.9-109.1 12.3 25.1 33.6 28.2 48 48 A K S <> S- 0 0 15 -3,-1.4 4,-1.8 1,-0.1 5,-0.2 -0.174 82.3-100.9 -71.5 170.2 26.9 30.6 26.7 49 49 A I H > S+ 0 0 5 38,-0.3 4,-2.2 1,-0.2 40,-0.1 0.916 119.3 49.8 -65.7 -45.1 28.5 28.0 29.0 50 50 A D H 4 S+ 0 0 58 38,-1.2 -1,-0.2 1,-0.2 39,-0.1 0.874 113.1 46.9 -61.4 -37.9 32.1 29.2 28.6 51 51 A A H 4 S+ 0 0 31 -6,-0.3 -1,-0.2 1,-0.2 12,-0.2 0.833 118.8 38.7 -74.9 -33.2 31.2 32.8 29.4 52 52 A T H < S+ 0 0 0 -4,-1.8 8,-2.2 1,-0.2 -2,-0.2 0.711 127.6 26.6 -95.2 -24.2 29.1 32.1 32.5 53 53 A E < + 0 0 4 -4,-2.2 -1,-0.2 6,-0.2 6,-0.2 -0.582 63.1 163.7-138.8 73.4 31.0 29.2 34.2 54 54 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 38,-0.3 0.764 76.3 25.6 -67.1 -25.7 34.7 29.6 33.2 55 55 A Q B > S-I 58 0B 111 3,-0.9 3,-2.4 36,-0.1 2,-0.0 -0.972 108.9 -82.8-131.4 148.5 35.9 27.3 36.1 56 56 A R T 3 S+ 0 0 119 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.277 114.9 1.1 -58.8 124.6 33.7 24.6 37.7 57 57 A G T 3 S+ 0 0 54 1,-0.1 2,-0.6 47,-0.1 -1,-0.3 0.465 105.9 107.8 79.6 1.4 31.5 26.2 40.3 58 58 A Q B < -I 55 0B 128 -3,-2.4 -3,-0.9 2,-0.0 2,-0.2 -0.908 54.3-163.8-115.0 99.1 32.8 29.7 39.6 59 59 A F - 0 0 72 -2,-0.6 2,-0.4 -6,-0.2 -6,-0.2 -0.593 8.9-167.0 -88.3 144.9 30.1 31.7 37.8 60 60 A N + 0 0 73 -8,-2.2 4,-0.2 -2,-0.2 3,-0.1 -0.945 16.4 165.0-132.9 108.4 30.7 35.0 36.0 61 61 A F > + 0 0 31 -2,-0.4 4,-3.0 1,-0.1 5,-0.3 0.228 43.7 109.1-106.2 11.2 27.7 37.1 35.0 62 62 A S H > S+ 0 0 60 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.942 86.9 33.1 -57.8 -54.8 29.5 40.4 34.2 63 63 A S H > S+ 0 0 29 -12,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.894 118.8 53.8 -71.2 -35.8 29.1 40.4 30.4 64 64 A A H > S+ 0 0 0 -18,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.920 109.1 48.7 -60.8 -45.3 25.7 38.7 30.5 65 65 A D H X S+ 0 0 41 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.809 103.8 60.9 -68.4 -28.2 24.4 41.3 32.9 66 66 A R H X S+ 0 0 139 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.2 0.927 111.3 39.8 -60.8 -46.1 25.7 44.1 30.7 67 67 A V H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.925 116.3 50.1 -68.7 -47.0 23.5 42.8 27.8 68 68 A Y H X S+ 0 0 34 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.940 112.5 46.9 -55.1 -50.0 20.5 42.1 30.2 69 69 A N H X S+ 0 0 72 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.880 109.8 53.0 -63.3 -42.2 20.6 45.5 31.8 70 70 A W H X S+ 0 0 32 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.2 0.931 110.5 49.7 -57.0 -44.7 20.9 47.3 28.4 71 71 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 3,-0.5 0.956 113.0 43.2 -60.3 -51.3 17.8 45.4 27.2 72 72 A V H ><5S+ 0 0 61 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.904 111.4 54.6 -66.3 -36.0 15.6 46.2 30.2 73 73 A Q H 3<5S+ 0 0 150 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.783 111.3 47.2 -65.6 -26.3 16.7 49.9 30.3 74 74 A N T <<5S- 0 0 69 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.191 122.5-103.3-102.3 16.1 15.6 50.1 26.6 75 75 A G T < 5S+ 0 0 65 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.697 75.0 132.8 75.0 23.8 12.2 48.4 27.1 76 76 A K < - 0 0 18 -5,-2.6 -36,-0.2 -6,-0.2 -1,-0.2 -0.768 50.4-132.8-106.3 150.6 13.0 45.0 25.7 77 77 A Q E -c 40 0A 115 -38,-1.8 -36,-2.1 -2,-0.3 2,-0.4 -0.460 28.7-128.3 -86.1 167.6 12.3 41.5 26.9 78 78 A V E -c 41 0A 3 41,-0.3 43,-1.4 -38,-0.2 44,-0.8 -0.978 11.3-155.1-129.6 134.4 15.2 38.9 26.8 79 79 A R E -cd 42 122A 2 -38,-2.5 -36,-0.6 -2,-0.4 2,-0.4 -0.928 26.8-130.8 -99.1 133.0 15.6 35.3 25.4 80 80 A G E - d 0 123A 0 42,-3.1 44,-2.8 -2,-0.5 2,-0.4 -0.672 19.4-144.4 -88.2 133.5 18.3 33.2 27.2 81 81 A H E - d 0 124A 4 -2,-0.4 -34,-0.5 1,-0.2 44,-0.1 -0.949 53.6 -13.3-143.9 113.3 20.8 31.4 25.0 82 82 A T E + 0 0 0 42,-0.6 -1,-0.2 -2,-0.4 43,-0.2 0.734 36.2 167.3-153.0 150.7 21.9 28.7 25.8 83 83 A L E S+ 0 0 2 41,-1.8 2,-0.3 1,-0.2 43,-0.2 0.782 83.3 22.7 -90.7 -27.1 22.2 26.2 28.7 84 84 A A E S+ d 0 126A 2 41,-0.9 43,-1.9 40,-0.3 2,-0.3 -0.970 72.6 140.1-148.5 121.6 23.4 22.9 27.2 85 85 A W - 0 0 21 -2,-0.3 43,-0.1 41,-0.2 44,-0.1 -0.987 52.1-127.6-161.1 148.9 25.3 22.5 23.9 86 86 A H S S+ 0 0 60 41,-0.5 3,-0.4 -2,-0.3 2,-0.2 0.704 90.0 72.2 -74.5 -22.4 28.2 20.6 22.4 87 87 A S S S+ 0 0 45 1,-0.2 -38,-0.3 -3,-0.0 -2,-0.1 -0.624 94.3 17.8-100.4 153.3 30.0 23.8 21.2 88 88 A Q S S+ 0 0 68 -2,-0.2 -38,-1.2 1,-0.2 -1,-0.2 0.838 76.7 160.8 58.5 37.1 31.8 26.5 23.2 89 89 A Q - 0 0 13 -3,-0.4 -1,-0.2 -40,-0.1 -3,-0.0 -0.720 44.4-112.0 -81.5 141.9 32.2 24.3 26.3 90 90 A P >> - 0 0 14 0, 0.0 4,-1.8 0, 0.0 3,-1.2 -0.328 33.3-105.3 -65.3 154.5 35.0 25.5 28.7 91 91 A G H 3> S+ 0 0 47 1,-0.3 4,-1.2 2,-0.2 -36,-0.1 0.852 117.6 59.4 -52.7 -38.8 38.0 23.1 28.9 92 92 A W H 34 S+ 0 0 39 -38,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.847 108.2 45.4 -63.0 -33.1 37.0 21.7 32.3 93 93 A M H X4 S+ 0 0 6 -3,-1.2 3,-1.5 1,-0.2 -1,-0.2 0.835 104.0 61.6 -79.6 -32.5 33.7 20.5 31.0 94 94 A Q H 3< S+ 0 0 130 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.823 101.0 57.0 -60.1 -29.3 35.2 19.0 27.8 95 95 A S T 3< S+ 0 0 104 -4,-1.2 -1,-0.3 -3,-0.1 2,-0.2 0.549 92.7 89.0 -78.0 -12.3 37.2 16.7 30.1 96 96 A L < + 0 0 38 -3,-1.5 2,-0.3 -4,-0.1 -3,-0.0 -0.634 49.3 172.8 -92.7 152.1 34.2 15.2 31.9 97 97 A S >> - 0 0 91 -2,-0.2 4,-1.4 48,-0.0 3,-0.9 -0.919 44.4 -2.3-143.9 167.4 32.1 12.2 30.9 98 98 A G H 3> S- 0 0 33 44,-0.3 4,-2.2 -2,-0.3 5,-0.1 -0.097 122.2 -5.7 56.6-139.7 29.2 10.0 32.3 99 99 A S H 3> S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.816 133.8 56.2 -62.6 -34.0 27.7 10.7 35.7 100 100 A A H <> S+ 0 0 43 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.919 109.8 46.2 -63.7 -42.3 30.3 13.4 36.5 101 101 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.903 109.5 55.1 -64.5 -43.2 29.3 15.3 33.4 102 102 A R H X S+ 0 0 45 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.933 108.9 46.7 -57.7 -46.3 25.6 14.9 34.1 103 103 A Q H X S+ 0 0 96 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.902 112.2 50.6 -64.2 -39.3 25.9 16.4 37.6 104 104 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.874 109.5 51.4 -65.4 -37.5 28.0 19.3 36.1 105 105 A M H X S+ 0 0 7 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.935 112.5 46.0 -60.5 -47.9 25.3 19.9 33.5 106 106 A I H X S+ 0 0 35 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.932 112.7 49.4 -60.7 -48.2 22.6 20.0 36.1 107 107 A D H X S+ 0 0 70 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.875 110.3 52.0 -60.2 -41.0 24.6 22.4 38.4 108 108 A H H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 5,-0.3 0.941 110.4 47.0 -61.9 -48.2 25.3 24.7 35.4 109 109 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.934 114.3 47.8 -56.4 -50.3 21.5 24.9 34.5 110 110 A N H X S+ 0 0 65 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.903 112.3 49.0 -61.7 -40.8 20.6 25.6 38.2 111 111 A G H X S+ 0 0 22 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.916 115.2 41.5 -67.4 -44.5 23.3 28.2 38.7 112 112 A V H X S+ 0 0 1 -4,-2.3 4,-1.1 -5,-0.2 3,-0.3 0.935 115.8 48.8 -69.5 -46.8 22.5 30.3 35.6 113 113 A M H < S+ 0 0 0 -4,-2.4 3,-0.4 -5,-0.3 4,-0.2 0.872 106.0 58.0 -65.1 -32.8 18.7 30.1 35.9 114 114 A A H >< S+ 0 0 68 -4,-1.8 3,-1.0 -5,-0.3 -1,-0.2 0.898 103.0 53.7 -61.7 -39.2 18.8 31.1 39.6 115 115 A H H 3< S+ 0 0 69 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.822 119.7 33.2 -65.1 -30.9 20.6 34.4 38.7 116 116 A Y T >X S+ 0 0 3 -4,-1.1 3,-2.5 -3,-0.4 4,-0.7 0.114 81.6 155.8-111.4 18.8 17.8 35.2 36.2 117 117 A K T <4 S- 0 0 126 -3,-1.0 45,-0.1 1,-0.3 -3,-0.1 -0.248 77.3 -0.1 -58.2 125.7 14.7 33.7 37.9 118 118 A G T 34 S+ 0 0 55 2,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.434 117.9 85.9 76.6 4.6 11.6 35.4 36.8 119 119 A K T <4 S+ 0 0 115 -3,-2.5 2,-0.5 1,-0.1 -41,-0.3 0.577 73.5 64.8-111.6 -15.6 13.5 37.8 34.5 120 120 A I < - 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