==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JUN-11 3SCV . COMPND 2 MOLECULE: BETA-GLUCOSIDASE 7; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYZA SATIVA JAPONICA GROUP; . AUTHOR S.PENGTHAISONG,S.G.WITHERS,B.KUAPRASERT,J.R.KETUDAT CAIRNS . 944 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 683 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 54 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 3.2 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 2 2 6 0 4 2 0 0 2 4 0 4 0 0 2 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 8 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 PARALLEL BRIDGES PER LADDER . 6 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 5 A N > 0 0 149 0, 0.0 3,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.9 9.9 30.9 35.0 2 6 A W T 3 + 0 0 93 1,-0.3 405,-0.1 2,-0.1 463,-0.0 0.773 360.0 50.3 -59.2 -27.3 8.0 27.8 33.8 3 7 A L T > S- 0 0 18 465,-0.0 3,-1.5 3,-0.0 -1,-0.3 0.691 100.4-145.3 -76.4 -20.7 11.4 25.9 33.7 4 8 A G T < - 0 0 40 -3,-1.2 -2,-0.1 1,-0.3 3,-0.1 0.849 67.9 -49.9 57.4 37.4 12.0 27.1 37.2 5 9 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.414 105.1 137.6 85.4 -0.7 15.8 27.5 36.6 6 10 A L < + 0 0 5 -3,-1.5 -1,-0.3 3,-0.1 2,-0.3 -0.579 13.2 126.3 -85.2 142.7 16.1 24.0 35.2 7 11 A S S > S- 0 0 42 -2,-0.3 3,-1.4 -3,-0.1 4,-0.3 -0.921 75.4 -81.1-169.9 175.2 18.2 23.3 32.1 8 12 A R G > S+ 0 0 47 461,-0.8 3,-1.3 463,-0.4 7,-0.2 0.818 127.1 63.6 -59.0 -30.2 21.0 20.9 31.1 9 13 A A G 3 S+ 0 0 96 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.726 94.9 60.9 -64.6 -23.0 23.4 23.4 32.8 10 14 A A G < S+ 0 0 17 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.548 103.4 58.9 -81.2 -9.8 21.6 22.7 36.1 11 15 A F S < S- 0 0 11 -3,-1.3 3,-0.1 -4,-0.3 4,-0.1 -0.770 102.0 -77.3-116.4 162.2 22.6 19.0 36.0 12 16 A P > - 0 0 41 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.136 60.4 -85.9 -55.7 154.0 26.0 17.3 35.8 13 17 A K T 3 S+ 0 0 177 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 -0.340 116.3 13.8 -57.6 140.7 27.9 17.2 32.5 14 18 A R T 3 S+ 0 0 223 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.571 85.4 161.5 65.0 10.6 26.9 14.3 30.3 15 19 A F < - 0 0 10 -3,-1.9 2,-0.5 -7,-0.2 -1,-0.2 -0.434 38.4-125.3 -58.9 134.7 23.8 13.6 32.5 16 20 A V E -a 425 0A 24 408,-1.8 410,-2.9 -3,-0.1 2,-0.5 -0.752 25.2-170.4 -94.5 126.6 21.4 11.5 30.4 17 21 A F E +a 426 0A 1 -2,-0.5 62,-2.9 408,-0.2 63,-1.5 -0.965 22.5 142.9-113.2 130.8 17.8 12.5 29.8 18 22 A G E -ab 427 80A 0 408,-2.6 410,-2.5 -2,-0.5 2,-0.3 -0.853 41.4-115.4-146.7-177.8 15.3 10.1 28.2 19 23 A T E -ab 428 81A 0 61,-1.0 63,-3.0 408,-0.3 2,-0.4 -0.841 28.8-140.4-119.3 165.6 11.8 8.8 28.0 20 24 A V E +ab 429 82A 0 408,-2.0 411,-1.1 -2,-0.3 410,-0.5 -0.970 24.0 159.7-131.4 139.9 10.6 5.2 28.8 21 25 A T - 0 0 2 61,-2.4 2,-0.3 -2,-0.4 3,-0.1 -0.845 26.3-133.6-134.2-179.8 8.2 2.7 27.4 22 26 A S > - 0 0 0 -2,-0.3 4,-1.4 61,-0.2 5,-0.4 -0.959 25.0-113.7-132.5 158.8 7.8 -1.1 27.7 23 27 A A H >> S+ 0 0 1 -2,-0.3 4,-2.7 1,-0.2 3,-0.7 0.927 112.2 40.0 -57.9 -56.0 7.1 -3.6 24.9 24 28 A Y H 34 S+ 0 0 6 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.842 113.9 56.4 -66.5 -29.7 3.6 -4.8 25.8 25 29 A Q H 34 S+ 0 0 0 1,-0.1 410,-2.2 34,-0.1 -1,-0.2 0.732 127.8 8.0 -76.1 -22.6 2.5 -1.3 26.7 26 30 A V H << S+ 0 0 1 -4,-1.4 36,-2.3 -3,-0.7 34,-0.5 0.656 108.6 74.4-127.9 -27.4 3.4 0.3 23.4 27 31 A E < - 0 0 6 -4,-2.7 36,-2.2 -5,-0.4 37,-0.3 0.914 60.7-175.1 -64.5 -48.2 4.4 -2.1 20.6 28 32 A G + 0 0 4 -5,-0.4 30,-0.3 28,-0.3 -1,-0.1 -0.491 51.1 102.0 70.0-156.1 1.1 -3.7 19.5 29 33 A M > + 0 0 8 28,-0.7 3,-1.1 -2,-0.1 6,-0.3 0.882 47.6 161.1 44.7 43.8 1.4 -6.5 16.9 30 34 A A T 3 S+ 0 0 3 27,-1.5 -1,-0.1 1,-0.3 27,-0.1 0.785 74.2 24.3 -67.1 -31.6 1.0 -8.8 20.0 31 35 A A T 3 S+ 0 0 87 26,-0.3 -1,-0.3 6,-0.1 2,-0.3 -0.059 118.0 74.0-121.5 27.5 -0.0 -11.8 17.9 32 36 A S S X S+ 0 0 18 -3,-1.1 3,-1.6 1,-0.1 473,-0.1 -0.804 71.5 46.8-133.7 171.8 1.7 -10.8 14.7 33 37 A G T 3 S- 0 0 4 1,-0.3 72,-0.1 -2,-0.3 -1,-0.1 0.702 129.1 -65.2 66.8 19.8 5.2 -10.6 13.3 34 38 A G T 3 S+ 0 0 37 1,-0.3 -1,-0.3 -3,-0.1 -4,-0.1 0.357 90.9 154.5 84.3 -2.5 5.8 -14.1 14.7 35 39 A R < - 0 0 16 -3,-1.6 54,-0.3 -6,-0.3 -1,-0.3 -0.317 34.7-142.1 -62.8 132.8 5.4 -13.1 18.3 36 40 A G - 0 0 6 52,-2.9 52,-0.1 1,-0.1 -4,-0.1 -0.571 33.4 -87.2 -85.1 160.3 4.3 -15.8 20.8 37 41 A P - 0 0 66 0, 0.0 94,-2.5 0, 0.0 95,-0.5 -0.365 36.8-151.5 -69.4 145.3 1.9 -15.0 23.6 38 42 A S B > -I 130 0B 0 92,-0.3 4,-1.6 93,-0.1 3,-0.5 -0.573 36.6 -99.0 -99.6 173.8 3.1 -13.7 27.0 39 43 A I H > S+ 0 0 15 90,-2.4 4,-2.2 1,-0.2 5,-0.1 0.807 126.1 57.9 -62.0 -28.9 1.4 -14.2 30.4 40 44 A W H > S+ 0 0 4 89,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.809 100.6 55.8 -70.8 -30.5 -0.0 -10.7 29.9 41 45 A D H > S+ 0 0 12 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.962 111.9 41.4 -62.9 -52.7 -1.7 -11.6 26.6 42 46 A A H < S+ 0 0 42 -4,-1.6 4,-0.3 2,-0.2 -2,-0.2 0.928 118.5 47.9 -60.3 -47.5 -3.6 -14.5 28.2 43 47 A F H >< S+ 0 0 11 -4,-2.2 3,-1.5 1,-0.2 6,-0.2 0.938 112.3 46.9 -58.1 -52.3 -4.4 -12.3 31.2 44 48 A A H 3< S+ 0 0 2 -4,-2.9 6,-0.3 1,-0.3 -1,-0.2 0.787 108.3 56.9 -65.7 -28.6 -5.5 -9.2 29.2 45 49 A H T 3< S+ 0 0 98 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.459 85.2 97.4 -81.9 -2.3 -7.7 -11.4 26.9 46 50 A T S X S- 0 0 68 -3,-1.5 3,-1.9 -4,-0.3 4,-0.4 -0.788 87.4-109.8 -89.4 122.3 -9.7 -12.8 29.9 47 51 A P T 3 S+ 0 0 106 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.202 100.0 18.3 -52.0 136.4 -13.0 -10.9 30.4 48 52 A G T 3 S+ 0 0 64 2,-0.3 4,-0.1 -4,-0.1 -4,-0.1 0.155 96.6 98.7 91.6 -18.1 -12.9 -8.8 33.6 49 53 A N S < S+ 0 0 27 -3,-1.9 2,-0.3 -6,-0.2 -5,-0.1 0.892 84.3 34.6 -69.8 -40.5 -9.1 -8.7 34.1 50 54 A V S > S- 0 0 5 -4,-0.4 3,-2.6 -6,-0.3 -2,-0.3 -0.879 100.1 -85.8-119.5 146.4 -8.5 -5.2 32.5 51 55 A A G > S+ 0 0 35 387,-2.5 3,-1.6 -2,-0.3 390,-0.3 -0.247 116.4 0.4 -46.2 127.3 -10.5 -2.0 32.6 52 56 A G G 3 S- 0 0 65 1,-0.3 -1,-0.3 388,-0.1 3,-0.1 0.608 118.4 -82.9 65.4 15.6 -13.0 -2.2 29.6 53 57 A N G < S+ 0 0 88 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.787 85.4 159.1 55.1 32.0 -11.7 -5.7 28.7 54 58 A Q < - 0 0 94 -3,-1.6 2,-0.3 384,-0.1 -1,-0.2 -0.364 17.8-178.2 -83.5 162.1 -8.9 -3.9 26.8 55 59 A N - 0 0 33 -3,-0.1 4,-0.5 -2,-0.1 3,-0.4 -0.882 40.1-100.8-148.7 177.9 -5.6 -5.4 25.9 56 60 A G S S+ 0 0 1 -2,-0.3 -28,-0.3 1,-0.2 -26,-0.2 0.134 75.7 119.5 -95.2 22.1 -2.2 -4.6 24.2 57 61 A D S S+ 0 0 52 1,-0.2 -27,-1.5 -28,-0.1 -28,-0.7 0.877 101.2 1.1 -52.6 -42.7 -3.1 -6.2 20.8 58 62 A V S > S+ 0 0 53 -3,-0.4 3,-2.4 -30,-0.3 4,-0.2 0.712 86.4 159.8-113.0 -41.7 -2.6 -2.9 19.1 59 63 A A T 3 S- 0 0 4 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.281 82.2 -26.2 51.2-128.1 -1.6 -0.5 22.0 60 64 A T T 3 S- 0 0 0 -34,-0.5 -1,-0.3 -35,-0.1 -33,-0.1 0.430 82.2-127.1 -91.3 0.3 0.1 2.6 20.4 61 65 A D X> + 0 0 0 -3,-2.4 4,-1.8 -35,-0.1 3,-1.2 0.833 53.1 155.9 53.4 37.3 1.2 0.5 17.3 62 66 A Q H 3> + 0 0 3 -36,-2.3 4,-1.2 1,-0.3 -35,-0.2 0.819 61.6 75.9 -60.1 -28.0 4.8 1.6 17.9 63 67 A Y H 34 S+ 0 0 22 -36,-2.2 -1,-0.3 -37,-0.3 3,-0.2 0.886 110.1 26.0 -47.7 -42.9 5.8 -1.6 16.0 64 68 A H H <4 S+ 0 0 21 -3,-1.2 3,-0.3 -37,-0.3 -1,-0.2 0.767 128.5 44.0 -91.3 -27.6 4.8 0.2 12.8 65 69 A R H >X S+ 0 0 2 -4,-1.8 4,-2.0 1,-0.2 3,-0.6 0.156 70.5 119.8-108.8 17.9 5.3 3.8 13.8 66 70 A Y H 3X S+ 0 0 30 -4,-1.2 4,-2.6 1,-0.3 5,-0.2 0.805 74.4 55.3 -59.6 -33.4 8.7 3.7 15.6 67 71 A K H 3> S+ 0 0 46 859,-0.4 4,-2.4 -3,-0.3 -1,-0.3 0.898 108.0 49.6 -66.0 -38.1 10.4 6.1 13.2 68 72 A E H <> S+ 0 0 21 -3,-0.6 4,-2.1 859,-0.2 -2,-0.2 0.940 112.9 46.8 -60.6 -47.8 7.7 8.7 13.9 69 73 A D H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.865 112.2 49.7 -65.9 -36.5 8.2 8.2 17.7 70 74 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.910 110.0 51.2 -68.8 -41.3 12.0 8.4 17.4 71 75 A N H X S+ 0 0 45 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.901 111.0 50.3 -58.7 -41.5 11.7 11.6 15.3 72 76 A L H X S+ 0 0 25 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.950 108.8 48.9 -63.3 -50.1 9.5 13.0 18.0 73 77 A M H <>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 3,-0.2 0.884 113.3 48.9 -61.7 -35.6 11.8 12.1 20.9 74 78 A K H ><5S+ 0 0 93 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.895 107.1 53.9 -68.3 -41.0 14.7 13.7 19.0 75 79 A S H 3<5S+ 0 0 61 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.712 105.0 56.3 -67.2 -18.0 12.7 16.9 18.3 76 80 A L T 3<5S- 0 0 2 -4,-1.2 -1,-0.3 -3,-0.2 394,-0.2 0.282 117.2-115.9 -94.4 8.3 12.1 17.1 22.1 77 81 A N T < 5 + 0 0 44 -3,-1.8 -3,-0.2 1,-0.2 -60,-0.1 0.609 58.7 154.8 69.3 19.8 15.9 17.1 22.7 78 82 A F < - 0 0 6 -5,-1.8 -60,-0.2 1,-0.1 -1,-0.2 -0.434 34.4-155.4 -72.1 151.8 16.1 13.8 24.7 79 83 A D S S+ 0 0 30 -62,-2.9 40,-2.9 1,-0.1 2,-0.3 0.609 70.0 25.0 -97.5 -20.1 19.5 11.9 24.6 80 84 A A E -bc 18 119A 0 -63,-1.5 -61,-1.0 38,-0.3 2,-0.4 -0.930 56.8-146.2-147.9 161.8 18.2 8.4 25.3 81 85 A Y E -bc 19 120A 0 38,-2.4 40,-2.5 -2,-0.3 2,-0.6 -0.976 9.8-156.1-137.9 119.3 15.3 6.0 25.0 82 86 A R E +bc 20 121A 0 -63,-3.0 -61,-2.4 -2,-0.4 2,-0.3 -0.884 32.6 148.3 -94.7 120.1 14.5 3.3 27.5 83 87 A F E - c 0 122A 4 38,-1.9 40,-2.7 -2,-0.6 2,-0.3 -0.888 36.1-121.1-140.3 170.1 12.5 0.5 26.0 84 88 A S E - c 0 123A 1 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.853 11.6-128.6-118.8 152.6 12.1 -3.3 26.4 85 89 A I - 0 0 0 38,-2.7 2,-0.7 -2,-0.3 41,-0.2 -0.873 27.5-127.3 -92.2 127.4 12.6 -6.3 24.2 86 90 A S >> - 0 0 0 -2,-0.5 4,-1.2 1,-0.2 3,-1.1 -0.697 13.2-153.0 -75.9 114.9 9.6 -8.7 24.3 87 91 A W H >> S+ 0 0 0 -2,-0.7 4,-3.4 1,-0.3 3,-0.7 0.902 95.1 50.2 -52.4 -48.2 11.1 -12.2 25.1 88 92 A S H 34 S+ 0 0 0 40,-0.5 -52,-2.9 1,-0.3 -1,-0.3 0.601 102.9 60.5 -76.0 -9.6 8.2 -14.0 23.3 89 93 A R H <4 S+ 0 0 1 -3,-1.1 13,-0.3 -54,-0.3 -1,-0.3 0.780 116.3 33.5 -79.8 -29.0 8.8 -11.8 20.2 90 94 A I H << S+ 0 0 0 -4,-1.2 9,-3.2 -3,-0.7 -2,-0.2 0.902 137.4 21.5 -86.2 -52.4 12.3 -13.2 20.0 91 95 A F S >< S- 0 0 20 -4,-3.4 3,-2.5 7,-0.2 -1,-0.3 -0.899 71.0-164.7-117.1 95.9 11.6 -16.7 21.3 92 96 A P T 3 S+ 0 0 6 0, 0.0 40,-0.4 0, 0.0 39,-0.2 0.805 95.7 35.9 -53.8 -30.6 7.9 -17.4 20.8 93 97 A D T 3 S- 0 0 79 2,-0.4 -5,-0.1 4,-0.4 3,-0.1 0.287 116.3-112.2-101.9 7.2 8.1 -20.4 23.2 94 98 A G S < S+ 0 0 4 -3,-2.5 2,-0.3 -7,-0.2 58,-0.1 0.286 96.2 37.7 81.2 -10.8 10.7 -18.6 25.5 95 99 A E S S+ 0 0 52 2,-0.1 2,-0.6 -7,-0.1 -2,-0.4 -0.950 102.6 22.2-159.7 161.8 13.4 -21.2 24.4 96 100 A G S S+ 0 0 65 -2,-0.3 2,-0.0 -4,-0.1 -2,-0.0 -0.636 96.3 55.9 82.8-116.4 14.4 -23.0 21.2 97 101 A R - 0 0 146 -2,-0.6 2,-0.4 1,-0.1 -4,-0.4 -0.256 69.7-139.0 -67.2 132.2 13.3 -21.4 17.9 98 102 A V - 0 0 41 -7,-0.2 2,-1.0 -6,-0.1 -7,-0.2 -0.735 9.5-137.4 -87.9 135.4 14.3 -17.8 17.1 99 103 A N >> - 0 0 12 -9,-3.2 4,-1.9 -2,-0.4 3,-0.7 -0.807 16.2-166.7 -91.8 98.8 11.7 -15.6 15.5 100 104 A Q H 3> S+ 0 0 128 -2,-1.0 4,-2.2 1,-0.3 -1,-0.2 0.809 85.4 56.3 -60.3 -34.0 13.8 -13.7 12.8 101 105 A E H 3> S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.865 106.9 51.1 -64.4 -37.3 11.1 -11.1 12.1 102 106 A G H <> S+ 0 0 0 -3,-0.7 4,-1.6 -13,-0.3 -2,-0.2 0.937 109.9 49.1 -62.5 -47.3 11.1 -10.2 15.8 103 107 A V H X S+ 0 0 6 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.891 107.7 55.2 -59.1 -41.7 14.9 -9.8 15.8 104 108 A A H X S+ 0 0 42 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.875 103.3 55.7 -62.5 -40.3 14.6 -7.6 12.7 105 109 A Y H X S+ 0 0 8 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.951 110.5 43.1 -55.8 -51.9 12.2 -5.3 14.4 106 110 A Y H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.885 113.1 52.9 -68.8 -35.7 14.6 -4.6 17.3 107 111 A N H X S+ 0 0 39 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.964 111.6 46.7 -56.5 -50.8 17.5 -4.3 14.9 108 112 A N H X S+ 0 0 81 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.874 114.6 46.7 -59.6 -42.7 15.6 -1.7 12.9 109 113 A L H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.937 114.8 45.9 -62.1 -51.7 14.6 0.2 16.1 110 114 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.917 114.3 48.4 -59.9 -45.6 18.1 0.2 17.6 111 115 A N H X S+ 0 0 70 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.897 112.6 47.6 -63.8 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4,-1.4 -2,-0.5 3,-0.9 0.888 59.4-177.4 46.6 63.4 10.3 -3.9 39.2 173 177 A P H 3> S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.777 80.1 66.2 -61.2 -23.5 10.5 -7.5 40.4 174 178 A R H 3> S+ 0 0 18 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.887 100.2 48.5 -60.4 -41.4 8.9 -6.3 43.6 175 179 A I H <>>S+ 0 0 29 -3,-0.9 4,-2.9 2,-0.2 5,-0.6 0.869 110.0 52.0 -69.3 -37.3 5.7 -5.5 41.8 176 180 A V H X>S+ 0 0 17 -4,-1.4 4,-2.0 2,-0.2 5,-0.5 0.955 114.2 43.5 -59.1 -49.9 5.8 -8.9 40.1 177 181 A A H X>S+ 0 0 0 -4,-2.5 4,-1.2 3,-0.2 5,-0.7 0.932 119.6 42.7 -61.9 -45.8 6.2 -10.6 43.5 178 182 A L H X>S+ 0 0 20 -4,-2.9 5,-3.2 3,-0.2 4,-0.9 0.946 126.0 27.8 -68.5 -51.0 3.5 -8.4 45.2 179 183 A L H <5S+ 0 0 36 -4,-2.9 7,-2.3 3,-0.2 6,-1.4 0.812 127.1 41.9 -87.0 -32.0 0.8 -8.3 42.5 180 184 A G H < S- 0 0 13 -7,-2.3 3,-2.9 4,-0.1 4,-0.4 -0.841 105.5 -37.6-116.1 161.0 -1.6 -9.5 38.1 187 191 A P T 3 S+ 0 0 11 0, 0.0 -2,-0.1 0, 0.0 -7,-0.1 -0.296 128.2 28.2 -60.3 141.4 -0.4 -12.6 36.1 188 192 A P T 3 S- 0 0 23 0, 0.0 -8,-0.1 0, 0.0 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