==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-DEC-10 3PTK . COMPND 2 MOLECULE: BETA-GLUCOSIDASE OS4BGLU12; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYZA SATIVA; . AUTHOR S.SANSENYA,R.OPASSIRI,B.KUAPRASERT,C.J.CHEN,J.R.KETUDAT CAIR . 956 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 695 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 4.4 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 57 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 311 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.3 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 10 0 0 6 2 6 0 0 0 0 2 5 1 2 0 2 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 9 6 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 . 5 4 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 . 4 4 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 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 9 A P 0 0 172 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-110.3 -26.3 16.5 -40.0 2 10 A V + 0 0 15 5,-0.0 2,-0.3 3,-0.0 414,-0.1 -0.873 360.0 150.8-165.7 137.8 -29.3 14.6 -38.6 3 11 A S > - 0 0 16 -2,-0.3 3,-1.4 412,-0.1 4,-0.4 -0.883 63.2 -81.7-150.5-179.3 -32.2 15.5 -36.3 4 12 A R G > S+ 0 0 42 471,-2.5 3,-1.9 -2,-0.3 7,-0.1 0.842 122.8 70.4 -61.0 -30.1 -35.8 14.6 -35.7 5 13 A R G 3 S+ 0 0 129 470,-0.3 -1,-0.3 1,-0.3 471,-0.1 0.787 89.7 60.9 -54.4 -30.1 -36.6 16.9 -38.6 6 14 A S G < S+ 0 0 36 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.707 96.5 76.8 -69.0 -20.8 -35.0 14.3 -40.9 7 15 A F S < S- 0 0 10 -3,-1.9 3,-0.1 -4,-0.4 4,-0.1 -0.542 98.3 -79.3 -95.8 156.2 -37.6 11.7 -39.9 8 16 A P > - 0 0 66 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 -0.068 57.1 -91.3 -51.5 150.0 -41.2 11.4 -41.0 9 17 A K T 3 S+ 0 0 207 1,-0.2 3,-0.1 -3,-0.1 -4,-0.0 -0.392 114.5 24.3 -61.1 138.3 -43.8 13.7 -39.4 10 18 A G T 3 S+ 0 0 51 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.453 84.1 151.7 85.6 1.0 -45.3 12.0 -36.3 11 19 A F < - 0 0 12 -3,-1.7 2,-0.4 -7,-0.1 -1,-0.3 -0.453 41.2-128.8 -70.0 135.2 -42.3 9.7 -35.7 12 20 A I E -a 430 0A 23 417,-2.0 419,-2.3 -2,-0.2 2,-0.4 -0.714 22.5-171.3 -96.7 131.7 -42.0 8.8 -32.1 13 21 A F E +a 431 0A 5 -2,-0.4 63,-2.2 417,-0.2 64,-1.6 -0.958 23.1 132.1-117.9 140.3 -38.7 9.1 -30.0 14 22 A G E -ab 432 77A 1 417,-2.0 419,-2.9 -2,-0.4 2,-0.3 -0.924 44.3-104.4-162.0-176.1 -38.2 7.8 -26.5 15 23 A T E -ab 433 78A 0 62,-1.1 64,-2.8 417,-0.3 2,-0.3 -0.874 27.3-138.7-121.4 160.4 -36.2 5.8 -24.0 16 24 A A E +ab 434 79A 0 417,-2.3 420,-1.2 -2,-0.3 419,-0.6 -0.880 23.1 163.4-120.9 152.5 -36.7 2.4 -22.5 17 25 A S - 0 0 5 62,-1.9 2,-0.3 -2,-0.3 422,-0.0 -0.873 22.7-137.0-147.8 174.8 -36.4 0.9 -19.0 18 26 A S > - 0 0 1 -2,-0.3 4,-1.3 62,-0.2 5,-0.3 -0.988 21.5-117.8-143.3 154.9 -37.6 -2.3 -17.2 19 27 A S H >> S+ 0 0 2 -2,-0.3 4,-3.0 1,-0.2 3,-0.8 0.930 108.2 40.6 -58.6 -57.8 -39.0 -2.8 -13.8 20 28 A Y H 34 S+ 0 0 8 105,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.824 116.6 49.8 -64.4 -32.2 -36.4 -5.1 -12.1 21 29 A Q H 34 S+ 0 0 2 1,-0.1 419,-2.1 35,-0.1 -1,-0.2 0.715 126.8 22.4 -77.6 -20.5 -33.4 -3.2 -13.6 22 30 A Y H << S+ 0 0 4 -4,-1.3 37,-2.3 -3,-0.8 35,-0.8 0.787 109.1 64.0-113.0 -42.4 -34.7 0.2 -12.5 23 31 A E < + 0 0 10 -4,-3.0 37,-2.5 -5,-0.3 38,-0.4 0.880 55.4 178.3 -66.7 -51.9 -37.2 0.1 -9.6 24 32 A G + 0 0 4 29,-0.4 31,-0.3 -5,-0.3 -1,-0.1 -0.456 47.1 108.0 62.5-151.5 -35.7 -1.2 -6.4 25 33 A G > + 0 0 3 29,-0.7 3,-1.8 -2,-0.1 6,-0.2 0.900 47.4 169.0 46.2 41.2 -38.1 -1.3 -3.6 26 34 A A T 3 S+ 0 0 12 28,-1.7 -1,-0.1 1,-0.3 29,-0.1 0.795 75.1 25.8 -55.1 -33.9 -37.9 -5.0 -4.2 27 35 A A T 3 S+ 0 0 90 27,-0.2 3,-0.3 3,-0.1 -1,-0.3 0.028 105.3 101.4-119.6 25.4 -39.7 -5.8 -1.0 28 36 A E S X S+ 0 0 75 -3,-1.8 3,-2.1 1,-0.2 -4,-0.0 -0.636 73.5 22.8-101.5 165.7 -41.7 -2.6 -0.6 29 37 A G T 3 S- 0 0 11 1,-0.3 -1,-0.2 -2,-0.2 72,-0.1 0.742 130.5 -60.3 54.5 31.0 -45.4 -1.8 -1.3 30 38 A G T 3 S+ 0 0 45 -3,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.585 84.9 164.6 76.1 13.5 -46.4 -5.4 -1.1 31 39 A R < - 0 0 19 -3,-2.1 55,-0.2 -6,-0.2 -1,-0.2 -0.440 26.5-144.8 -65.9 131.2 -44.2 -6.7 -3.9 32 40 A G - 0 0 7 53,-2.5 53,-0.1 -2,-0.2 58,-0.1 -0.519 31.9 -85.4 -88.3 162.5 -43.7 -10.5 -4.0 33 41 A P - 0 0 73 0, 0.0 97,-2.1 0, 0.0 98,-0.5 -0.409 38.3-153.4 -71.7 143.5 -40.4 -12.1 -5.1 34 42 A S B >> -I 129 0B 0 95,-0.3 4,-1.8 96,-0.1 3,-0.8 -0.630 36.6 -99.2-102.4 169.6 -39.6 -12.7 -8.8 35 43 A I H 3> S+ 0 0 3 93,-3.5 4,-2.3 1,-0.2 92,-0.1 0.713 125.2 57.9 -61.3 -19.4 -37.3 -15.4 -10.1 36 44 A W H 3> S+ 0 0 0 92,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.751 101.2 53.1 -83.7 -25.6 -34.7 -12.6 -10.4 37 45 A D H <> S+ 0 0 17 -3,-0.8 4,-1.9 2,-0.2 5,-0.2 0.950 114.8 43.1 -65.4 -50.0 -34.9 -11.8 -6.7 38 46 A T H X S+ 0 0 32 -4,-1.8 4,-3.1 1,-0.2 5,-0.3 0.955 114.5 49.9 -57.1 -53.8 -34.3 -15.5 -6.0 39 47 A F H X S+ 0 0 7 -4,-2.3 4,-1.8 1,-0.2 7,-0.2 0.890 112.5 45.0 -56.2 -47.2 -31.5 -15.8 -8.6 40 48 A T H < S+ 0 0 3 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.844 120.2 40.1 -70.4 -33.1 -29.5 -12.8 -7.5 41 49 A H H < S+ 0 0 97 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.807 122.3 39.0 -85.2 -32.5 -29.7 -13.7 -3.8 42 50 A Q H < S+ 0 0 132 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.612 127.2 32.3 -93.2 -15.8 -29.2 -17.5 -4.1 43 51 A H >< + 0 0 71 -4,-1.8 3,-2.1 -5,-0.3 -1,-0.2 -0.314 62.5 152.9-137.6 55.3 -26.6 -17.4 -6.8 44 52 A P G > S+ 0 0 23 0, 0.0 3,-1.6 0, 0.0 6,-0.5 0.739 70.6 69.1 -56.4 -25.8 -24.5 -14.3 -6.4 45 53 A E G 3 S+ 0 0 120 1,-0.3 5,-0.1 5,-0.1 -5,-0.1 0.759 92.3 61.5 -61.0 -26.6 -21.5 -16.0 -8.1 46 54 A K G < S+ 0 0 46 -3,-2.1 2,-0.5 -7,-0.2 -1,-0.3 0.403 92.7 75.8 -84.0 1.9 -23.6 -15.8 -11.3 47 55 A I S X S- 0 0 3 -3,-1.6 3,-2.7 -4,-0.1 397,-0.2 -0.973 85.7-128.5-115.8 125.3 -23.6 -12.0 -11.2 48 56 A A T 3 S+ 0 0 63 395,-3.4 396,-0.1 -2,-0.5 -1,-0.1 0.795 107.8 23.4 -37.8 -49.8 -20.4 -10.2 -12.2 49 57 A D T 3 S- 0 0 59 394,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.048 109.2-111.7-112.0 22.9 -20.2 -8.0 -9.0 50 58 A R S < S+ 0 0 159 -3,-2.7 2,-0.1 -6,-0.5 -2,-0.1 0.788 73.9 136.3 54.6 34.3 -22.3 -10.3 -6.8 51 59 A S - 0 0 21 -7,-0.1 2,-0.3 392,-0.1 -1,-0.2 -0.406 37.8-154.9-108.4-178.8 -25.1 -7.7 -6.7 52 60 A N - 0 0 44 -2,-0.1 4,-0.5 -3,-0.1 3,-0.4 -0.872 32.1-103.8-145.9 176.4 -28.9 -7.6 -6.9 53 61 A G S S+ 0 0 1 -2,-0.3 -29,-0.4 -17,-0.2 -27,-0.2 0.238 75.7 117.3 -91.9 15.7 -31.9 -5.4 -7.9 54 62 A D S S+ 0 0 59 1,-0.2 -28,-1.7 -30,-0.1 -29,-0.7 0.841 101.3 2.6 -49.3 -44.0 -33.0 -4.6 -4.3 55 63 A V S > S+ 0 0 45 -3,-0.4 3,-2.6 -31,-0.3 5,-0.2 0.686 88.3 160.1-112.4 -40.0 -32.4 -0.9 -4.8 56 64 A A T 3 S- 0 0 3 -4,-0.5 -34,-0.2 1,-0.3 -33,-0.1 -0.251 80.7 -24.4 51.6-124.9 -31.3 -0.8 -8.4 57 65 A S T 3 S- 0 0 0 -35,-0.8 -1,-0.3 -36,-0.2 -34,-0.2 0.329 85.7-122.9 -98.4 7.0 -31.7 2.8 -9.7 58 66 A D X> + 0 0 1 -3,-2.6 4,-2.9 1,-0.1 3,-1.2 0.761 58.9 150.2 55.8 34.5 -34.4 3.5 -7.0 59 67 A S H 3> + 0 0 5 -37,-2.3 4,-1.5 1,-0.3 -36,-0.2 0.729 61.0 75.0 -67.2 -21.9 -37.0 4.5 -9.6 60 68 A Y H 34 S+ 0 0 29 -37,-2.5 -1,-0.3 -38,-0.3 -36,-0.1 0.874 117.1 18.1 -55.6 -36.2 -39.7 3.2 -7.2 61 69 A H H <4 S+ 0 0 31 -3,-1.2 3,-0.4 -38,-0.4 447,-0.3 0.781 130.5 49.4 -96.7 -32.9 -39.0 6.4 -5.3 62 70 A L H >X + 0 0 9 -4,-2.9 4,-1.7 -39,-0.2 3,-1.1 0.305 68.4 113.7 -97.7 8.0 -37.3 8.5 -7.9 63 71 A Y H 3X S+ 0 0 24 -4,-1.5 4,-2.3 1,-0.3 -1,-0.2 0.723 73.6 60.5 -55.9 -25.3 -39.6 8.2 -10.9 64 72 A K H 3> S+ 0 0 112 -3,-0.4 4,-2.2 2,-0.2 -1,-0.3 0.900 105.2 48.1 -68.8 -40.3 -40.6 11.9 -10.8 65 73 A E H <> S+ 0 0 59 -3,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.903 110.3 53.1 -60.8 -43.3 -36.9 12.8 -11.4 66 74 A D H X S+ 0 0 4 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.931 109.0 47.9 -58.3 -50.5 -36.8 10.3 -14.3 67 75 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.937 110.5 52.5 -57.4 -46.5 -39.9 11.8 -16.0 68 76 A R H X S+ 0 0 113 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.915 108.0 51.9 -55.9 -44.7 -38.3 15.3 -15.5 69 77 A L H X S+ 0 0 16 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.869 111.1 45.6 -60.2 -40.7 -35.1 14.1 -17.2 70 78 A M H X>S+ 0 0 0 -4,-1.9 5,-2.8 2,-0.2 4,-1.0 0.811 110.8 52.6 -78.2 -30.6 -36.9 12.7 -20.3 71 79 A K H <5S+ 0 0 97 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.883 106.7 54.4 -66.5 -39.8 -39.1 15.8 -20.7 72 80 A D H <5S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.835 108.1 48.2 -65.4 -34.6 -35.9 18.0 -20.6 73 81 A M H <5S- 0 0 8 -4,-1.3 403,-0.3 -5,-0.2 -1,-0.2 0.771 118.2-119.0 -68.6 -27.2 -34.5 15.9 -23.5 74 82 A G T <5 + 0 0 26 -4,-1.0 -3,-0.2 1,-0.2 -61,-0.1 0.755 47.1 175.8 89.2 31.0 -37.8 16.3 -25.2 75 83 A M < - 0 0 5 -5,-2.8 -61,-0.2 1,-0.1 -1,-0.2 -0.397 24.9-155.9 -65.8 141.5 -38.7 12.7 -25.5 76 84 A D S S+ 0 0 39 -63,-2.2 42,-3.1 1,-0.2 2,-0.3 0.753 72.3 20.0 -83.0 -29.3 -42.2 11.8 -26.9 77 85 A A E -bc 14 118A 0 -64,-1.6 -62,-1.1 40,-0.3 2,-0.4 -0.943 56.8-149.0-146.6 156.2 -42.5 8.4 -25.2 78 86 A Y E -bc 15 119A 7 40,-3.0 42,-3.0 -2,-0.3 2,-0.6 -0.989 9.7-156.5-132.7 123.7 -41.3 6.2 -22.4 79 87 A R E +bc 16 120A 0 -64,-2.8 -62,-1.9 -2,-0.4 2,-0.3 -0.896 29.6 152.9 -96.4 119.9 -41.2 2.4 -22.6 80 88 A F E - c 0 121A 5 40,-2.0 42,-2.9 -2,-0.6 2,-0.3 -0.884 33.5-125.5-136.9 170.5 -41.3 0.8 -19.2 81 89 A S E - c 0 122A 1 -2,-0.3 2,-0.4 40,-0.2 42,-0.2 -0.890 14.5-127.3-120.2 151.8 -42.4 -2.6 -17.8 82 90 A I - 0 0 0 40,-2.2 2,-0.8 -2,-0.3 43,-0.3 -0.814 25.7-122.3 -93.4 134.3 -44.8 -3.5 -15.1 83 91 A S >> - 0 0 0 -2,-0.4 3,-2.0 1,-0.2 4,-1.1 -0.705 15.6-151.4 -75.3 109.3 -43.5 -5.9 -12.4 84 92 A W H >> S+ 0 0 0 -2,-0.8 4,-3.0 1,-0.3 3,-0.9 0.899 96.0 50.2 -44.6 -49.5 -45.9 -8.9 -12.4 85 93 A T H 34 S+ 0 0 0 42,-0.5 -53,-2.5 1,-0.3 -1,-0.3 0.483 101.5 62.7 -77.2 -2.5 -45.3 -9.5 -8.7 86 94 A R H <4 S+ 0 0 0 -3,-2.0 15,-0.3 -55,-0.2 -1,-0.3 0.720 115.2 32.1 -87.0 -27.1 -46.0 -5.9 -7.8 87 95 A I H << S+ 0 0 1 -4,-1.1 11,-3.3 -3,-0.9 -2,-0.2 0.842 138.7 21.1 -89.5 -49.2 -49.5 -6.3 -9.1 88 96 A L S >< S- 0 0 0 -4,-3.0 3,-3.1 9,-0.2 -1,-0.2 -0.844 74.1-160.0-124.0 91.3 -50.0 -10.0 -8.2 89 97 A P T 3 S+ 0 0 34 0, 0.0 42,-0.3 0, 0.0 -1,-0.1 0.721 92.5 30.9 -53.6 -27.3 -47.5 -10.9 -5.4 90 98 A N T 3 S- 0 0 66 6,-0.3 2,-1.1 2,-0.3 -5,-0.1 0.005 113.1-109.4-122.5 38.1 -47.8 -14.6 -6.1 91 99 A G S < S+ 0 0 0 -3,-3.1 2,-0.2 -7,-0.2 60,-0.1 -0.079 85.9 86.6 85.4 -37.3 -48.5 -14.5 -9.8 92 100 A S S S- 0 0 2 -2,-1.1 -2,-0.3 1,-0.1 4,-0.3 -0.637 75.9-125.3-101.7 158.0 -52.1 -15.7 -9.8 93 101 A L S > S+ 0 0 80 -2,-0.2 3,-2.3 1,-0.2 -1,-0.1 0.927 112.0 55.8 -59.7 -47.8 -55.4 -13.8 -9.5 94 102 A R T 3 S+ 0 0 192 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.795 96.2 68.6 -62.3 -24.0 -56.6 -16.0 -6.6 95 103 A G T 3 S- 0 0 35 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.648 116.5 -98.3 -65.1 -17.3 -53.3 -15.0 -4.8 96 104 A G < - 0 0 30 -3,-2.3 2,-0.4 -4,-0.3 -6,-0.3 0.058 25.2 -96.7 109.7 142.1 -54.7 -11.4 -4.5 97 105 A V - 0 0 67 -9,-0.1 2,-0.8 -3,-0.1 -9,-0.2 -0.794 32.1-135.4 -93.9 132.6 -54.4 -8.1 -6.2 98 106 A N > - 0 0 21 -11,-3.3 4,-1.8 -2,-0.4 3,-0.4 -0.781 16.8-171.8 -94.2 104.9 -51.9 -5.6 -4.7 99 107 A K H > S+ 0 0 170 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.814 84.5 57.2 -67.8 -32.3 -53.5 -2.1 -4.5 100 108 A E H > S+ 0 0 59 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.849 106.8 51.5 -67.6 -32.3 -50.3 -0.4 -3.5 101 109 A G H > S+ 0 0 0 -3,-0.4 4,-1.8 -15,-0.3 -2,-0.2 0.924 108.7 49.1 -67.5 -47.4 -48.7 -1.7 -6.7 102 110 A I H X S+ 0 0 15 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.909 108.8 55.0 -54.6 -44.9 -51.5 -0.4 -8.9 103 111 A K H X S+ 0 0 102 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.918 104.6 53.6 -58.6 -45.1 -51.2 2.9 -7.2 104 112 A Y H X S+ 0 0 13 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.926 110.4 45.1 -54.2 -49.1 -47.5 3.1 -8.1 105 113 A Y H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.825 111.9 52.4 -73.6 -28.6 -48.1 2.5 -11.8 106 114 A N H X S+ 0 0 33 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.910 108.4 51.9 -64.0 -42.6 -50.9 5.0 -11.8 107 115 A N H X S+ 0 0 69 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.939 113.7 42.9 -59.2 -45.9 -48.6 7.5 -10.3 108 116 A L H X S+ 0 0 8 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.953 115.1 48.9 -67.8 -49.8 -46.0 6.9 -12.9 109 117 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.937 114.3 45.7 -52.3 -50.8 -48.5 6.9 -15.8 110 118 A N H X S+ 0 0 75 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.896 111.3 52.7 -64.6 -38.7 -50.1 10.1 -14.6 111 119 A E H X S+ 0 0 37 -4,-2.5 4,-0.5 -5,-0.3 -1,-0.2 0.900 110.9 48.2 -60.4 -41.8 -46.8 11.8 -14.0 112 120 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 3,-1.2 0.950 113.7 44.8 -63.9 -50.8 -45.8 10.9 -17.6 113 121 A L H ><5S+ 0 0 71 -4,-2.6 3,-2.4 1,-0.3 -2,-0.2 0.898 103.8 63.3 -64.7 -40.5 -49.0 12.1 -19.2 114 122 A S H 3<5S+ 0 0 78 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.690 110.1 42.3 -55.8 -19.5 -49.0 15.4 -17.1 115 123 A K T <<5S- 0 0 75 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.269 121.8-106.4-111.6 11.1 -45.7 16.2 -19.0 116 124 A G T < 5S+ 0 0 57 -3,-2.4 2,-0.5 1,-0.2 -3,-0.2 0.773 72.3 138.8 73.9 29.0 -46.9 15.0 -22.4 117 125 A V < - 0 0 0 -5,-2.3 -40,-0.3 -6,-0.1 -1,-0.2 -0.926 49.8-130.9-108.4 126.2 -44.9 11.8 -22.6 118 126 A Q E -c 77 0A 80 -42,-3.1 -40,-3.0 -2,-0.5 2,-0.5 -0.628 17.3-135.2 -77.2 127.6 -46.6 8.7 -24.0 119 127 A P E -c 78 0A 5 0, 0.0 46,-0.5 0, 0.0 45,-0.5 -0.728 18.2-172.7 -83.4 125.5 -46.4 5.5 -21.9 120 128 A F E -cd 79 165A 1 -42,-3.0 -40,-2.0 -2,-0.5 2,-0.5 -0.989 19.0-153.8-112.3 119.3 -45.6 2.3 -23.8 121 129 A I E -cd 80 166A 0 44,-2.7 46,-3.2 -2,-0.5 2,-0.5 -0.842 14.5-157.0-110.3 128.4 -45.9 -0.6 -21.4 122 130 A T E -cd 81 167A 0 -42,-2.9 -40,-2.2 -2,-0.5 46,-0.2 -0.849 4.7-162.2 -91.1 126.1 -44.2 -4.0 -21.4 123 131 A L E S+ 0 0 0 44,-3.4 2,-0.5 -2,-0.5 -39,-0.2 0.897 77.9 31.3 -75.5 -41.8 -46.1 -6.7 -19.5 124 132 A F E + d 0 169A 0 44,-2.3 46,-2.1 43,-0.3 -1,-0.2 -0.919 52.3 160.0-127.6 110.3 -43.3 -9.2 -19.1 125 133 A H S S- 0 0 2 -2,-0.5 -105,-0.3 -43,-0.3 44,-0.1 -0.411 76.1 -79.2-122.9 54.7 -39.7 -8.2 -18.8 126 134 A W S S+ 0 0 7 1,-0.1 2,-2.6 44,-0.1 -91,-0.2 0.105 95.4 121.1 81.9 -18.3 -38.3 -11.4 -17.2 127 135 A D + 0 0 0 -92,-0.1 -42,-0.5 -93,-0.1 -43,-0.3 -0.367 44.2 178.2 -77.6 64.9 -39.4 -10.7 -13.6 128 136 A S - 0 0 0 -2,-2.6 -93,-3.5 1,-0.1 -92,-0.3 -0.435 36.9 -94.6 -69.7 138.1 -41.4 -13.9 -13.5 129 137 A P B > -I 34 0B 0 0, 0.0 4,-1.3 0, 0.0 3,-0.3 -0.316 20.4-148.5 -57.9 127.7 -43.2 -14.7 -10.1 130 138 A Q H > S+ 0 0 27 -97,-2.1 4,-3.0 1,-0.2 5,-0.3 0.876 97.7 63.7 -58.9 -39.9 -41.2 -17.0 -7.8 131 139 A A H > S+ 0 0 33 -98,-0.5 4,-1.7 -42,-0.3 -1,-0.2 0.855 105.8 43.4 -56.7 -36.8 -44.6 -18.4 -6.5 132 140 A L H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 6,-1.8 0.771 110.7 55.5 -79.4 -28.1 -45.4 -19.7 -10.0 133 141 A E H X S+ 0 0 17 -4,-1.3 4,-1.9 4,-0.3 -2,-0.2 0.939 113.3 41.6 -63.4 -49.0 -41.9 -21.1 -10.3 134 142 A D H < S+ 0 0 122 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.852 117.1 50.3 -62.7 -39.2 -42.3 -23.0 -7.1 135 143 A K H < S- 0 0 98 -4,-1.7 -2,-0.2 -5,-0.3 -3,-0.2 0.929 139.0 -15.1 -72.8 -47.8 -45.8 -24.0 -8.0 136 144 A Y H < S- 0 0 27 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.152 96.6 -89.3-148.7 26.7 -45.4 -25.4 -11.5 137 145 A N >< - 0 0 76 -4,-1.9 3,-2.3 -5,-0.2 -4,-0.3 0.833 59.4-115.0 64.9 34.5 -42.0 -24.4 -12.9 138 146 A G G > S+ 0 0 0 -6,-1.8 3,-1.6 1,-0.3 6,-0.4 -0.106 93.7 12.5 51.5-118.5 -43.3 -21.1 -14.4 139 147 A F G 3 S+ 0 0 0 1,-0.3 -1,-0.3 5,-0.1 74,-0.3 0.580 115.9 74.7 -74.5 -7.4 -43.1 -21.0 -18.2 140 148 A L G < S+ 0 0 29 -3,-2.3 -1,-0.3 73,-0.1 -2,-0.2 0.682 92.0 65.0 -73.7 -18.1 -42.4 -24.7 -18.4 141 149 A S S X S- 0 0 17 -3,-1.6 3,-1.8 -4,-0.1 4,-0.2 -0.877 81.7-132.6-108.2 141.8 -46.0 -25.4 -17.6 142 150 A P T >> S+ 0 0 76 0, 0.0 3,-1.3 0, 0.0 4,-0.5 0.642 99.9 79.8 -62.2 -14.4 -49.1 -24.5 -19.8 143 151 A N H 3> S+ 0 0 91 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.746 75.5 74.7 -63.8 -22.1 -50.7 -23.1 -16.6 144 152 A I H <> S+ 0 0 0 -3,-1.8 4,-3.0 -6,-0.4 -1,-0.2 0.840 85.0 67.2 -55.8 -33.1 -48.5 -20.0 -17.1 145 153 A I H <> S+ 0 0 21 -3,-1.3 4,-2.8 -4,-0.2 -1,-0.2 0.948 103.6 38.4 -58.2 -56.9 -50.9 -19.0 -20.0 146 154 A N H X S+ 0 0 86 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.863 116.1 52.0 -67.7 -35.7 -54.0 -18.3 -17.9 147 155 A D H X S+ 0 0 12 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.928 112.8 45.7 -62.1 -45.0 -52.1 -16.7 -15.1 148 156 A F H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.922 111.8 52.5 -62.1 -44.1 -50.4 -14.4 -17.6 149 157 A K H X S+ 0 0 41 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.924 109.7 48.2 -57.1 -47.7 -53.7 -13.7 -19.2 150 158 A D H X S+ 0 0 39 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.861 111.9 50.3 -60.5 -39.1 -55.3 -12.7 -15.9 151 159 A Y H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.934 110.5 48.4 -65.9 -45.7 -52.3 -10.5 -15.1 152 160 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.910 109.6 55.0 -59.4 -40.7 -52.5 -8.7 -18.5 153 161 A E H X S+ 0 0 25 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.905 104.1 51.3 -63.4 -45.8 -56.3 -8.2 -17.9 154 162 A I H X S+ 0 0 17 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.932 110.7 51.7 -55.4 -42.1 -55.8 -6.5 -14.6 155 163 A C H X>S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 5,-0.7 0.906 109.9 47.4 -61.6 -42.4 -53.4 -4.2 -16.4 156 164 A F H X5S+ 0 0 0 -4,-2.3 4,-1.2 3,-0.2 -1,-0.2 0.890 115.3 46.5 -65.2 -40.7 -55.9 -3.4 -19.2 157 165 A K H <5S+ 0 0 122 -4,-2.6 4,-0.2 -5,-0.2 -2,-0.2 0.920 120.4 37.1 -64.7 -47.2 -58.6 -2.7 -16.7 158 166 A E H <5S+ 0 0 81 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.801 136.1 14.2 -78.9 -31.1 -56.5 -0.5 -14.4 159 167 A F H >X5S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.3 3,-2.3 0.633 95.4 93.1-123.0 -21.0 -54.4 1.3 -16.9 160 168 A G T 3<> - 0 0 15 69,-0.7 4,-2.0 -2,-0.5 3,-0.6 0.856 62.1-176.2 33.2 66.4 -37.0 -10.4 -25.9 172 180 A P H 3> S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.808 80.4 65.2 -54.8 -26.6 -38.4 -14.0 -25.4 173 181 A W H 3> S+ 0 0 53 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.935 104.7 41.5 -59.1 -48.3 -35.2 -15.1 -27.2 174 182 A T H <>>S+ 0 0 11 -3,-0.6 4,-2.2 2,-0.2 5,-0.5 0.926 114.8 51.8 -68.2 -45.6 -32.9 -13.9 -24.4 175 183 A F H X5S+ 0 0 4 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.919 117.0 38.3 -56.5 -46.0 -35.3 -15.1 -21.7 176 184 A a H X5S+ 0 0 0 -4,-2.7 4,-1.4 3,-0.2 5,-0.4 0.894 119.7 43.6 -77.8 -39.8 -35.5 -18.6 -23.2 177 185 A S H X>S+ 0 0 5 -4,-2.7 5,-2.6 -5,-0.3 4,-1.7 0.948 124.1 34.4 -72.1 -47.4 -31.9 -19.1 -24.3 178 186 A N H <5S+ 0 0 33 -4,-2.2 7,-2.3 -5,-0.3 6,-0.4 0.788 122.7 46.1 -77.6 -27.1 -30.3 -17.6 -21.2 179 187 A G H < S- 0 0 20 -7,-2.3 3,-2.7 4,-0.2 4,-0.4 -0.873 103.3 -46.1-118.8 154.4 -30.0 -15.9 -16.4 186 194 A A T 3 S+ 0 0 1 1,-0.4 -150,-0.1 -2,-0.3 -6,-0.1 -0.279 124.3 36.0 -47.3 140.7 -32.9 -16.5 -14.0 187 195 A P T 3 S- 0 0 26 0, 0.0 -1,-0.4 0, 0.0 -8,-0.1 -0.967 94.8-147.0 -82.8 13.6 -34.4 -19.0 -13.5 188 196 A G < + 0 0 12 -3,-2.7 2,-0.4 1,-0.2 12,-0.3 0.944 37.5 153.1 65.7 54.2 -30.9 -20.5 -14.1 189 197 A R + 0 0 32 -10,-2.0 -6,-0.5 -4,-0.4 2,-0.3 -0.923 5.9 133.1-116.2 143.6 -31.8 -23.8 -15.7 190 198 A b - 0 0 0 10,-1.9 -9,-0.1 -2,-0.4 -8,-0.1 -0.971 59.2 -73.5-170.8 164.6 -29.6 -25.8 -18.1 191 199 A S > - 0 0 3 -10,-0.5 3,-2.2 -2,-0.3 7,-0.4 -0.498 56.0-109.0 -64.2 144.1 -28.2 -29.2 -18.9 192 200 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 10,-0.0 0.747 116.9 49.6 -54.8 -27.6 -25.5 -30.1 -16.3 193 201 A W T 3 S+ 0 0 136 4,-0.1 136,-0.0 3,-0.1 -2,-0.0 0.547 91.0 102.9 -87.2 -8.0 -22.6 -29.8 -18.9 194 202 A E S X S- 0 0 26 -3,-2.2 3,-2.0 4,-0.1 -12,-0.1 -0.212 92.1 -90.2 -75.0 168.9 -23.8 -26.3 -20.2 195 203 A K T 3 S+ 0 0 130 1,-0.3 -12,-0.1 2,-0.1 -13,-0.1 0.792 123.0 54.0 -48.7 -42.2 -22.1 -23.0 -19.2 196 204 A G T 3 S- 0 0 8 -14,-1.7 -1,-0.3 -15,-0.2 -13,-0.1 0.639 90.9-145.6 -73.3 -16.7 -24.3 -22.4 -16.2 197 205 A N < - 0 0 130 -3,-2.0 -2,-0.1 -6,-0.3 -4,-0.1 0.922 32.6-171.0 53.5 52.1 -23.6 -25.7 -14.6 198 206 A b - 0 0 10 -7,-0.4 -1,-0.1 1,-0.1 -9,-0.1 -0.343 34.9-131.9 -85.6 156.0 -27.1 -25.8 -13.2 199 207 A S S S+ 0 0 119 -11,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.783 91.7 20.1 -77.1 -27.7 -28.6 -28.3 -10.7 200 208 A V S S+ 0 0 82 -12,-0.3 -10,-1.9 -9,-0.1 2,-0.2 -0.949 84.2 76.5-136.1 160.8 -31.7 -28.9 -12.9 201 209 A G - 0 0 25 -2,-0.3 2,-0.2 -12,-0.2 -20,-0.1 -0.721 52.0-117.9 136.7 178.0 -32.7 -28.4 -16.6 202 210 A D >> - 0 0 54 -22,-0.4 4,-2.4 -2,-0.2 3,-1.8 -0.669 12.8-164.5-158.8 95.4 -32.5 -29.6 -20.2 203 211 A S T 34 S+ 0 0 0 1,-0.3 129,-2.5 -22,-0.2 130,-0.2 0.568 88.8 55.5 -58.9 -12.5 -30.9 -27.3 -22.7 204 212 A G T 34 S+ 0 0 1 127,-0.3 -1,-0.3 126,-0.1 127,-0.1 0.515 123.7 15.6-101.5 -7.8 -32.4 -29.3 -25.6 205 213 A R T X> S+ 0 0 108 -3,-1.8 4,-2.1 -25,-0.2 3,-0.6 0.636 112.7 64.4-129.2 -45.1 -36.1 -29.1 -24.7 206 214 A E H 3X S+ 0 0 33 -4,-2.4 4,-2.7 1,-0.3 5,-0.3 0.851 97.5 55.9 -63.8 -40.4 -36.8 -26.5 -22.0 207 215 A P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.870 112.9 45.1 -58.8 -33.2 -35.9 -23.5 -24.1 208 216 A Y H <> S+ 0 0 0 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.877 113.0 48.5 -76.8 -40.2 -38.4 -24.6 -26.7 209 217 A T H X S+ 0 0 40 -4,-2.1 4,-1.9 2,-0.2 -3,-0.2 0.916 112.7 48.7 -62.7 -45.7 -41.1 -25.5 -24.2 210 218 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.921 114.7 43.7 -62.4 -47.4 -40.7 -22.1 -22.4 211 219 A a H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.3 -1,-0.2 0.811 109.2 56.5 -73.2 -30.8 -40.9 -20.1 -25.6 212 220 A H H X S+ 0 0 15 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.905 109.6 47.5 -61.3 -42.9 -43.8 -22.0 -27.0 213 221 A H H X S+ 0 0 21 -4,-1.9 4,-2.2 -74,-0.3 -2,-0.2 0.868 109.1 53.8 -67.7 -35.8 -45.7 -21.1 -23.9 214 222 A Q H X S+ 0 0 2 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 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