==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-DEC-01 1ISW . COMPND 2 MOLECULE: ENDO-1,4-BETA-D-XYLANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES OLIVACEOVIRIDIS; . AUTHOR Z.FUJIMOTO,A.KUNO,S.KANEKO,H.KOBAYASHI,I.KUSAKABE,H.MIZUNO . 872 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30422.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 616 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 97 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 64 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 2 0 0 0 6 0 6 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 9 3 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 . 19 4 6 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 6 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 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 0 101 0, 0.0 10,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.4 6.3 25.1 53.4 2 2 A E + 0 0 101 8,-0.1 299,-0.1 9,-0.0 3,-0.1 0.217 360.0 93.1-167.6 28.5 7.8 28.0 55.3 3 3 A S S S+ 0 0 90 1,-0.0 2,-0.3 298,-0.0 294,-0.1 0.530 89.7 47.4-102.0 -11.3 9.2 27.0 58.7 4 4 A T S > S- 0 0 24 1,-0.1 4,-2.6 293,-0.1 5,-0.2 -0.914 85.3-119.0-128.1 155.6 12.7 26.4 57.3 5 5 A L H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.921 112.7 52.1 -59.3 -47.4 14.9 28.5 55.1 6 6 A G H > S+ 0 0 3 31,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.935 113.7 42.9 -55.5 -49.4 15.1 25.9 52.4 7 7 A A H > S+ 0 0 22 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.893 112.9 52.5 -65.4 -41.3 11.3 25.5 52.2 8 8 A A H >< S+ 0 0 0 -4,-2.6 3,-0.6 1,-0.2 4,-0.4 0.914 111.5 46.8 -61.6 -42.8 10.7 29.3 52.4 9 9 A A H ><>S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.2 5,-1.8 0.917 104.4 62.1 -65.0 -41.1 13.1 29.8 49.5 10 10 A A H ><5S+ 0 0 53 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.744 87.7 73.1 -56.5 -26.1 11.5 27.0 47.5 11 11 A Q T <<5S+ 0 0 89 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.827 103.8 39.1 -58.5 -33.2 8.2 29.0 47.5 12 12 A S T < 5S- 0 0 51 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.133 125.4 -98.9-103.8 18.6 9.7 31.3 45.0 13 13 A G T < 5S+ 0 0 72 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.548 90.3 113.5 78.0 7.3 11.6 28.7 43.0 14 14 A R < - 0 0 34 -5,-1.8 2,-0.3 -6,-0.1 -1,-0.3 -0.375 56.3-132.1-102.6-178.2 14.8 29.4 44.8 15 15 A Y E -a 262 0A 13 246,-0.8 248,-2.1 -2,-0.1 2,-0.4 -0.883 1.0-148.1-131.2 162.1 17.1 27.6 47.2 16 16 A F E +a 263 0A 1 -2,-0.3 23,-1.9 246,-0.2 24,-0.6 -0.960 33.3 170.0-132.2 113.9 18.8 28.3 50.4 17 17 A G E -ab 264 40A 0 246,-3.0 248,-2.2 -2,-0.4 2,-0.3 -0.502 19.3-157.1-117.4-173.5 22.1 26.5 50.9 18 18 A T E -ab 265 41A 0 22,-1.4 24,-1.7 246,-0.3 2,-0.6 -0.910 31.3 -96.1-152.2 174.8 25.2 26.2 53.0 19 19 A A E - b 0 42A 0 246,-0.7 2,-0.5 -2,-0.3 249,-0.2 -0.915 39.1-150.6-102.5 124.2 28.8 25.1 52.9 20 20 A I E - b 0 43A 0 22,-2.8 24,-2.2 -2,-0.6 2,-0.7 -0.847 3.9-150.5-101.7 129.4 29.2 21.6 54.3 21 21 A A >> - 0 0 10 -2,-0.5 3,-2.1 22,-0.2 4,-0.5 -0.865 10.5-146.0 -97.7 116.0 32.4 20.4 56.0 22 22 A S G >4 S+ 0 0 40 -2,-0.7 3,-1.2 1,-0.3 4,-0.2 0.833 96.7 60.3 -48.6 -38.5 32.8 16.7 55.5 23 23 A G G 34 S+ 0 0 75 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.711 101.9 52.4 -66.0 -21.3 34.4 16.3 59.0 24 24 A K G X4 S+ 0 0 67 -3,-2.1 3,-2.2 1,-0.2 7,-0.4 0.494 79.4 92.9 -93.8 -3.7 31.3 17.7 60.7 25 25 A L T << S+ 0 0 35 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 0.592 82.2 59.4 -66.2 -7.5 28.9 15.2 59.1 26 26 A G T 3 S+ 0 0 79 -3,-0.4 2,-0.8 -4,-0.2 -1,-0.3 0.363 84.8 89.5 -99.5 3.0 29.4 12.9 62.1 27 27 A D X> - 0 0 62 -3,-2.2 4,-2.6 1,-0.2 3,-1.0 -0.878 63.6-160.5-103.2 102.2 28.2 15.6 64.6 28 28 A S H 3> S+ 0 0 85 -2,-0.8 4,-2.7 1,-0.3 5,-0.2 0.816 91.1 57.9 -53.0 -36.1 24.4 15.2 64.9 29 29 A A H 3> S+ 0 0 51 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.900 112.2 43.2 -61.6 -37.7 24.0 18.7 66.3 30 30 A Y H <> S+ 0 0 2 -3,-1.0 4,-2.5 -6,-0.2 3,-0.3 0.970 118.0 42.5 -69.7 -56.1 25.6 19.9 63.0 31 31 A T H X S+ 0 0 27 -4,-2.6 4,-2.2 -7,-0.4 5,-0.3 0.752 107.0 62.0 -64.7 -26.3 23.7 17.6 60.7 32 32 A T H X S+ 0 0 77 -4,-2.7 4,-0.9 -5,-0.3 -1,-0.2 0.935 112.4 37.3 -66.3 -43.1 20.4 18.1 62.5 33 33 A I H X S+ 0 0 9 -4,-1.2 4,-2.6 -3,-0.3 3,-0.5 0.976 118.5 48.7 -69.6 -55.5 20.5 21.8 61.6 34 34 A A H X S+ 0 0 1 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.868 110.7 48.0 -54.2 -47.0 22.0 21.4 58.1 35 35 A S H < S+ 0 0 41 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.817 117.3 44.1 -66.5 -29.8 19.6 18.7 56.8 36 36 A R H < S+ 0 0 100 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.893 118.4 37.4 -81.7 -44.1 16.6 20.6 58.1 37 37 A E H < S+ 0 0 0 -4,-2.6 -31,-2.0 -5,-0.1 2,-0.4 0.712 107.5 59.4 -85.9 -23.7 17.4 24.2 57.0 38 38 A F < + 0 0 6 -4,-1.6 -21,-0.2 -5,-0.3 3,-0.1 -0.874 37.5 179.1-119.8 145.7 19.1 23.8 53.6 39 39 A N S S+ 0 0 36 -23,-1.9 38,-2.2 -2,-0.4 2,-0.3 0.161 76.5 58.4-120.7 15.7 18.2 22.4 50.2 40 40 A M E -bc 17 77A 1 -24,-0.6 -22,-1.4 36,-0.3 2,-0.4 -0.991 66.1-163.9-143.8 138.7 21.5 23.2 48.4 41 41 A V E -bc 18 78A 0 36,-2.2 38,-2.5 -2,-0.3 2,-0.4 -0.978 11.1-171.9-131.6 141.7 25.0 22.2 49.4 42 42 A T E -bc 19 79A 0 -24,-1.7 -22,-2.8 -2,-0.4 2,-0.5 -0.997 32.7-120.8-126.7 130.7 28.5 23.3 48.5 43 43 A A E -b 20 0A 0 36,-0.6 4,-0.3 -2,-0.4 -22,-0.2 -0.633 19.6-143.6 -72.9 120.0 31.5 21.3 49.7 44 44 A E S S- 0 0 24 -24,-2.2 -1,-0.2 -2,-0.5 -23,-0.1 0.821 83.6 -24.2 -55.4 -31.9 33.5 23.7 51.8 45 45 A N S > S+ 0 0 59 -25,-0.4 3,-1.8 3,-0.1 6,-0.3 0.449 112.6 96.0-153.6 -20.4 36.8 22.3 50.6 46 46 A E T 3 S+ 0 0 18 1,-0.3 18,-0.5 17,-0.2 19,-0.1 0.604 90.4 44.4 -59.8 -16.9 36.4 18.7 49.5 47 47 A M T 3 S+ 0 0 0 34,-0.5 -1,-0.3 -4,-0.3 2,-0.0 0.190 87.7 115.8-113.9 16.1 35.9 19.5 45.8 48 48 A K S <> S- 0 0 12 -3,-1.8 4,-1.9 1,-0.1 5,-0.2 -0.275 80.7 -97.9 -79.6 169.7 38.8 22.0 45.5 49 49 A I H > S+ 0 0 3 33,-0.3 4,-2.0 38,-0.2 3,-0.5 0.943 120.7 44.6 -53.5 -57.9 41.9 21.4 43.3 50 50 A D H 4 S+ 0 0 55 38,-2.0 -1,-0.2 1,-0.2 39,-0.1 0.782 115.9 49.3 -60.8 -27.5 44.3 20.2 46.0 51 51 A A H 4 S+ 0 0 33 -6,-0.3 -1,-0.2 37,-0.2 -2,-0.2 0.763 117.1 38.1 -84.5 -26.5 41.6 17.9 47.4 52 52 A T H < S+ 0 0 0 -4,-1.9 8,-1.7 -3,-0.5 -2,-0.2 0.632 129.4 26.5-100.3 -16.0 40.5 16.3 44.2 53 53 A E < + 0 0 1 -4,-2.0 -1,-0.2 -5,-0.2 6,-0.2 -0.507 61.6 161.7-145.2 69.8 43.9 15.9 42.4 54 54 A P S S+ 0 0 61 0, 0.0 2,-0.4 0, 0.0 38,-0.3 0.783 81.4 29.7 -60.4 -27.2 46.6 15.7 45.1 55 55 A Q B > S-I 58 0B 121 3,-1.0 3,-2.7 -3,-0.1 2,-0.1 -0.995 105.5 -97.0-133.5 136.0 48.9 14.3 42.4 56 56 A R T 3 S+ 0 0 93 -2,-0.4 3,-0.1 1,-0.3 -3,-0.0 -0.327 112.8 7.8 -57.3 125.4 48.5 15.1 38.7 57 57 A G T 3 S+ 0 0 47 1,-0.1 2,-0.8 47,-0.1 -1,-0.3 0.317 108.3 103.6 85.3 -9.4 46.5 12.4 37.0 58 58 A Q B < -I 55 0B 129 -3,-2.7 -3,-1.0 2,-0.0 2,-0.3 -0.809 57.1-167.7-109.5 90.5 45.8 10.9 40.4 59 59 A F - 0 0 69 -2,-0.8 2,-0.5 -6,-0.2 -6,-0.2 -0.627 11.7-170.9 -86.1 134.2 42.2 11.8 41.3 60 60 A N + 0 0 76 -8,-1.7 4,-0.3 -2,-0.3 3,-0.2 -0.884 14.7 164.9-125.0 96.8 40.8 11.4 44.8 61 61 A F > + 0 0 32 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.152 44.6 108.0 -97.5 18.4 37.0 12.0 45.0 62 62 A S H > S+ 0 0 50 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.979 83.3 34.7 -60.1 -64.2 36.5 10.3 48.4 63 63 A A H > S+ 0 0 34 1,-0.2 4,-1.6 -12,-0.2 -1,-0.2 0.877 119.5 54.0 -60.0 -39.2 35.8 13.4 50.6 64 64 A G H > S+ 0 0 0 -18,-0.5 4,-2.5 -4,-0.3 -1,-0.2 0.925 108.9 45.5 -62.4 -47.2 34.0 15.1 47.8 65 65 A D H X S+ 0 0 38 -4,-2.6 4,-3.4 1,-0.2 5,-0.3 0.814 105.3 63.3 -67.2 -30.1 31.6 12.2 47.1 66 66 A R H X S+ 0 0 156 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.944 109.8 39.4 -58.2 -46.2 31.0 11.9 50.9 67 67 A V H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.926 115.6 51.8 -69.1 -45.4 29.6 15.5 50.8 68 68 A Y H X S+ 0 0 35 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.942 111.2 46.8 -56.6 -50.6 27.8 14.9 47.5 69 69 A N H X S+ 0 0 85 -4,-3.4 4,-3.0 1,-0.2 5,-0.2 0.920 111.2 50.4 -58.9 -47.6 26.1 11.7 48.7 70 70 A W H X S+ 0 0 38 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.2 0.908 111.5 50.9 -57.3 -43.2 25.0 13.2 52.0 71 71 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 3,-0.7 0.973 114.5 40.1 -59.2 -58.2 23.5 16.2 50.1 72 72 A V H ><5S+ 0 0 69 -4,-2.5 3,-2.0 1,-0.3 -2,-0.2 0.907 113.0 54.5 -59.7 -45.4 21.5 14.1 47.6 73 73 A Q H 3<5S+ 0 0 163 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.749 111.9 47.2 -61.8 -22.7 20.4 11.6 50.2 74 74 A N T <<5S- 0 0 65 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.133 125.3 -98.7-105.8 19.1 19.1 14.5 52.2 75 75 A G T < 5S+ 0 0 57 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.820 77.9 132.4 72.3 35.0 17.2 16.2 49.4 76 76 A K < - 0 0 15 -5,-2.4 -36,-0.3 -8,-0.1 -1,-0.2 -0.930 48.0-138.7-121.5 143.1 19.8 18.9 48.5 77 77 A Q E -c 40 0A 116 -38,-2.2 -36,-2.2 -2,-0.4 2,-0.4 -0.341 29.1-123.9 -83.8 176.5 21.2 19.9 45.1 78 78 A V E -c 41 0A 3 41,-0.3 43,-1.7 -38,-0.2 44,-1.3 -0.980 14.1-156.0-134.7 139.6 25.0 20.6 44.8 79 79 A R E -cd 42 122A 1 -38,-2.5 -36,-0.6 -2,-0.4 2,-0.4 -0.947 27.0-135.3-107.2 118.7 27.2 23.5 43.7 80 80 A G E - d 0 123A 0 42,-3.4 44,-2.7 -2,-0.6 2,-0.3 -0.618 22.3-141.1 -75.6 131.6 30.6 22.2 42.6 81 81 A H E - d 0 124A 2 -2,-0.4 -34,-0.5 1,-0.2 44,-0.1 -0.944 53.3 -13.5-145.3 116.8 33.4 24.3 44.1 82 82 A T E + 0 0 0 42,-0.6 -33,-0.3 -2,-0.3 -1,-0.2 0.704 40.2 164.5-145.4 156.1 35.8 25.0 42.4 83 83 A L E S+ 0 0 2 41,-2.2 2,-0.4 1,-0.2 43,-0.2 0.843 81.3 25.9 -88.0 -38.4 37.7 24.0 39.2 84 84 A A E S+ d 0 126A 2 41,-2.3 43,-2.2 40,-0.3 2,-0.3 -0.931 74.8 140.9-133.4 111.5 40.3 26.7 38.2 85 85 A W E - d 0 127A 17 -2,-0.4 43,-0.1 41,-0.2 44,-0.1 -0.998 51.4-136.8-152.4 146.5 41.7 28.9 41.0 86 86 A H S S+ 0 0 49 41,-0.5 3,-0.4 -2,-0.3 2,-0.2 0.729 89.8 69.9 -74.3 -23.3 45.0 30.4 42.0 87 87 A S S S+ 0 0 46 1,-0.2 -38,-0.2 40,-0.2 -2,-0.1 -0.624 97.0 16.1 -99.3 157.1 44.4 29.4 45.6 88 88 A Q S S+ 0 0 63 -2,-0.2 -38,-2.0 1,-0.2 -37,-0.2 0.846 80.5 154.2 52.3 43.6 44.4 26.0 47.2 89 89 A Q - 0 0 5 -3,-0.4 -1,-0.2 -40,-0.2 5,-0.1 -0.710 52.8 -94.0 -96.5 151.0 46.2 24.3 44.3 90 90 A P >> - 0 0 7 0, 0.0 4,-1.8 0, 0.0 3,-0.6 -0.216 39.8-107.3 -58.6 155.7 48.2 21.1 45.0 91 91 A G T 34 S+ 0 0 55 1,-0.2 4,-0.4 2,-0.2 -36,-0.1 0.858 119.5 55.2 -54.0 -36.4 51.9 21.7 45.5 92 92 A W T >> S+ 0 0 46 -38,-0.3 3,-0.6 1,-0.2 4,-0.6 0.853 107.7 47.0 -67.2 -36.4 52.7 20.3 42.1 93 93 A M G X4 S+ 0 0 3 -3,-0.6 3,-0.6 1,-0.2 -1,-0.2 0.811 101.3 65.6 -75.5 -30.0 50.4 22.6 40.2 94 94 A Q G 3< S+ 0 0 113 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.642 104.2 48.0 -66.2 -12.9 51.6 25.7 42.1 95 95 A S G <4 S+ 0 0 90 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.634 93.5 93.5-101.1 -18.9 55.0 25.1 40.4 96 96 A L << + 0 0 37 -3,-0.6 2,-0.3 -4,-0.6 3,-0.0 -0.268 50.4 171.8 -72.3 162.2 53.7 24.7 36.9 97 97 A S >> + 0 0 73 49,-0.0 4,-1.7 48,-0.0 3,-0.8 -0.960 39.8 0.7-160.1 171.4 53.4 27.6 34.4 98 98 A G H 3> S- 0 0 29 44,-0.4 4,-2.8 -2,-0.3 5,-0.2 -0.008 123.2 -2.2 44.5-139.3 52.7 28.4 30.8 99 99 A S H 3> S+ 0 0 103 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.841 135.8 50.6 -49.4 -45.8 51.8 25.5 28.5 100 100 A T H <> S+ 0 0 68 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.955 113.4 45.2 -62.0 -49.4 52.2 22.8 31.1 101 101 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.937 110.3 53.7 -59.5 -48.3 50.0 24.6 33.6 102 102 A R H X S+ 0 0 39 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.883 111.0 48.1 -53.5 -40.1 47.3 25.4 31.0 103 103 A Q H X S+ 0 0 95 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.903 108.5 52.1 -68.4 -43.0 47.2 21.7 30.2 104 104 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.905 108.0 54.1 -60.2 -40.5 47.0 20.6 33.8 105 105 A M H X S+ 0 0 4 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.938 109.8 45.6 -57.3 -51.6 44.0 23.0 34.2 106 106 A I H X S+ 0 0 29 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.944 113.9 48.9 -58.1 -51.0 42.2 21.4 31.3 107 107 A D H X S+ 0 0 57 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.934 111.1 50.1 -56.0 -49.1 42.9 17.9 32.5 108 108 A H H X S+ 0 0 1 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.944 109.6 50.4 -55.6 -51.5 41.8 18.8 36.0 109 109 A I H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 5,-0.3 0.888 113.5 46.6 -54.2 -42.3 38.5 20.3 34.8 110 110 A N H X S+ 0 0 68 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.907 112.1 50.9 -68.3 -41.9 37.8 17.2 32.7 111 111 A G H X S+ 0 0 20 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.966 116.0 37.5 -60.4 -56.4 38.7 14.8 35.5 112 112 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.945 120.8 44.0 -63.5 -52.1 36.5 16.4 38.2 113 113 A M H X S+ 0 0 0 -4,-1.9 4,-1.2 -5,-0.3 -1,-0.2 0.824 111.6 56.1 -64.6 -30.4 33.5 17.2 36.0 114 114 A G H >< S+ 0 0 42 -4,-1.8 3,-0.8 -5,-0.3 -1,-0.2 0.975 108.7 46.1 -63.7 -51.9 33.8 13.9 34.3 115 115 A H H 3< S+ 0 0 73 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.867 124.2 34.0 -56.6 -39.9 33.5 12.1 37.7 116 116 A Y H >X S+ 0 0 1 -4,-2.1 3,-2.3 -5,-0.1 4,-0.6 0.414 84.8 150.5 -97.8 0.8 30.5 14.3 38.7 117 117 A K T << S+ 0 0 124 -4,-1.2 -3,-0.1 -3,-0.8 45,-0.1 -0.010 72.8 6.9 -39.9 123.9 29.0 14.7 35.2 118 118 A G T 34 S+ 0 0 56 2,-0.2 -1,-0.3 1,-0.0 -4,-0.1 0.536 115.2 81.3 79.2 8.3 25.2 15.2 35.4 119 119 A K T <4 S+ 0 0 107 -3,-2.3 2,-0.5 1,-0.1 -41,-0.3 0.585 71.4 80.5-117.5 -16.7 25.1 15.5 39.1 120 120 A I < - 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