==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-NOV-08 3F5K . COMPND 2 MOLECULE: BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYZA SATIVA JAPONICA GROUP; . AUTHOR W.CHUENCHOR,J.R.KETUDAT CAIRNS,S.PENGTHAISONG,R.C.ROBINSON, . 944 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33633.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 684 72.5 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 . 37 3.9 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 . 55 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 10.7 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 . 27 2.9 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 . 5 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 0 157 0, 0.0 3,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.3 9.3 31.2 34.7 2 6 A W T 3 + 0 0 93 1,-0.3 405,-0.1 2,-0.1 463,-0.0 0.731 360.0 54.9 -65.7 -23.7 7.6 27.9 33.8 3 7 A L T > S- 0 0 17 3,-0.1 3,-1.5 465,-0.0 -1,-0.3 0.691 97.6-144.5 -76.5 -20.2 11.0 26.1 33.8 4 8 A G T < - 0 0 43 -3,-1.6 -2,-0.1 1,-0.3 3,-0.1 0.869 69.4 -48.4 56.5 38.5 11.5 27.4 37.4 5 9 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.407 105.5 136.9 85.5 -0.6 15.2 27.7 36.8 6 10 A L < + 0 0 5 -3,-1.5 -1,-0.3 3,-0.1 2,-0.3 -0.573 13.9 126.1 -86.0 144.4 15.6 24.3 35.3 7 11 A S S > S- 0 0 42 -2,-0.2 3,-1.4 -3,-0.1 4,-0.3 -0.921 75.1 -80.5-172.9 174.1 17.7 23.6 32.2 8 12 A R G > S+ 0 0 47 461,-0.8 3,-1.4 463,-0.4 7,-0.2 0.826 126.9 62.4 -59.3 -30.9 20.6 21.2 31.3 9 13 A A G 3 S+ 0 0 96 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.721 94.4 62.6 -65.6 -22.0 23.0 23.7 33.0 10 14 A A G < S+ 0 0 15 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.520 103.2 58.2 -81.0 -6.9 21.2 23.0 36.3 11 15 A F S < S- 0 0 14 -3,-1.4 3,-0.1 -4,-0.3 4,-0.1 -0.805 101.5 -77.5-119.3 160.5 22.2 19.3 36.1 12 16 A P > - 0 0 39 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.124 59.1 -84.4 -56.8 153.8 25.7 17.7 35.9 13 17 A K T 3 S+ 0 0 175 1,-0.3 -4,-0.0 -4,-0.1 -5,-0.0 -0.312 117.0 12.3 -50.6 135.8 27.7 17.6 32.7 14 18 A R T 3 S+ 0 0 218 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.554 85.4 161.1 68.0 7.4 26.7 14.6 30.6 15 19 A F < - 0 0 10 -3,-2.1 2,-0.5 -7,-0.2 -1,-0.2 -0.435 37.3-127.6 -60.0 135.0 23.5 14.0 32.7 16 20 A V E -a 425 0A 25 408,-1.9 410,-2.8 -2,-0.1 2,-0.4 -0.757 23.5-169.6 -94.8 127.5 21.2 11.8 30.6 17 21 A F E +a 426 0A 1 -2,-0.5 62,-2.7 408,-0.2 63,-1.2 -0.967 21.5 149.0-113.0 134.5 17.5 12.7 30.1 18 22 A G E -ab 427 80A 0 408,-2.5 410,-2.5 -2,-0.4 2,-0.3 -0.853 37.5-123.2-147.6-179.7 15.1 10.3 28.5 19 23 A T E -ab 428 81A 0 61,-1.1 63,-2.7 408,-0.3 2,-0.4 -0.827 28.5-141.9-124.4 168.3 11.5 9.0 28.2 20 24 A V E +ab 429 82A 0 408,-1.9 411,-1.8 -2,-0.3 410,-0.6 -0.961 23.9 161.2-139.2 146.5 10.3 5.4 28.8 21 25 A T - 0 0 1 61,-2.0 2,-0.3 -2,-0.4 3,-0.1 -0.870 26.2-132.9-138.7 179.1 7.9 2.8 27.5 22 26 A S > - 0 0 0 -2,-0.3 4,-1.4 61,-0.2 5,-0.3 -0.959 25.7-112.3-135.7 157.7 7.7 -1.0 27.9 23 27 A A H >> S+ 0 0 1 -2,-0.3 4,-2.9 1,-0.2 3,-0.7 0.920 112.5 39.9 -57.4 -58.7 7.0 -3.6 25.1 24 28 A Y H 34 S+ 0 0 8 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.839 114.4 56.1 -63.0 -29.9 3.6 -4.9 26.0 25 29 A Q H 34 S+ 0 0 1 1,-0.1 410,-2.0 2,-0.1 -1,-0.2 0.769 127.5 9.0 -77.2 -22.5 2.4 -1.4 26.9 26 30 A V H << S+ 0 0 1 -4,-1.4 36,-2.4 -3,-0.7 34,-0.5 0.669 107.8 74.6-127.4 -24.3 3.2 0.2 23.6 27 31 A E < - 0 0 7 -4,-2.9 36,-2.3 -5,-0.3 37,-0.3 0.901 60.4-174.7 -68.7 -46.4 4.3 -2.2 20.8 28 32 A G + 0 0 4 -5,-0.4 30,-0.3 28,-0.3 -1,-0.1 -0.452 52.3 101.1 70.0-155.8 1.0 -3.8 19.7 29 33 A M > + 0 0 9 28,-0.7 3,-1.3 -2,-0.1 6,-0.3 0.889 48.1 161.1 43.7 44.4 1.4 -6.6 17.1 30 34 A A T 3 S+ 0 0 3 27,-1.6 -1,-0.1 1,-0.3 27,-0.1 0.822 74.7 25.2 -67.7 -31.9 0.9 -8.8 20.2 31 35 A A T 3 S+ 0 0 86 26,-0.3 -1,-0.3 6,-0.1 2,-0.3 -0.121 117.4 75.5-121.3 30.2 -0.0 -11.9 18.1 32 36 A S S X S+ 0 0 18 -3,-1.3 3,-1.6 1,-0.1 473,-0.1 -0.862 71.6 44.1-135.1 173.9 1.7 -10.9 14.9 33 37 A G T 3 S- 0 0 5 -2,-0.3 -1,-0.1 1,-0.3 72,-0.1 0.754 128.8 -64.3 59.8 25.9 5.2 -10.7 13.5 34 38 A G T 3 S+ 0 0 39 1,-0.2 -1,-0.3 -3,-0.1 -4,-0.1 0.382 90.8 153.9 83.2 -1.8 5.8 -14.2 15.0 35 39 A R < - 0 0 17 -3,-1.6 54,-0.3 -6,-0.3 -1,-0.2 -0.333 34.7-142.7 -65.4 135.0 5.5 -13.1 18.6 36 40 A G - 0 0 6 52,-2.7 52,-0.1 1,-0.1 57,-0.1 -0.566 32.5 -87.7 -88.8 161.3 4.4 -15.8 21.1 37 41 A P - 0 0 65 0, 0.0 94,-2.4 0, 0.0 95,-0.5 -0.374 35.9-151.7 -71.7 150.0 2.0 -15.0 24.0 38 42 A S B > -I 130 0B 0 92,-0.3 4,-1.7 93,-0.1 3,-0.3 -0.597 37.6 -98.1-101.9 173.7 3.1 -13.7 27.3 39 43 A I H > S+ 0 0 13 90,-2.5 4,-2.2 1,-0.2 5,-0.1 0.803 126.4 58.2 -60.8 -28.0 1.4 -14.2 30.7 40 44 A W H > S+ 0 0 3 89,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.842 100.6 54.4 -70.4 -34.4 -0.0 -10.7 30.1 41 45 A D H > S+ 0 0 13 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.964 113.6 42.0 -61.4 -48.9 -1.7 -11.7 26.8 42 46 A A H < S+ 0 0 42 -4,-1.7 4,-0.4 1,-0.2 -2,-0.2 0.927 117.3 47.3 -62.7 -46.7 -3.5 -14.5 28.5 43 47 A F H >< S+ 0 0 11 -4,-2.2 3,-1.4 1,-0.2 6,-0.2 0.942 113.1 47.3 -61.3 -47.7 -4.4 -12.4 31.5 44 48 A A H 3< S+ 0 0 1 -4,-2.9 6,-0.3 1,-0.3 -1,-0.2 0.774 107.3 57.8 -70.5 -25.9 -5.6 -9.4 29.5 45 49 A H T 3< S+ 0 0 98 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.503 84.6 95.7 -83.0 -3.0 -7.8 -11.6 27.2 46 50 A T S X S- 0 0 70 -3,-1.4 3,-2.0 -4,-0.4 4,-0.4 -0.771 88.7-109.9 -89.4 124.5 -9.7 -13.0 30.2 47 51 A P T 3 S+ 0 0 105 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.218 99.8 19.0 -54.4 136.0 -13.0 -11.0 30.7 48 52 A G T 3 S+ 0 0 62 2,-0.3 4,-0.1 -4,-0.1 -4,-0.1 0.183 95.7 99.2 91.7 -17.8 -12.9 -8.9 33.8 49 53 A N S < S+ 0 0 30 -3,-2.0 2,-0.3 -6,-0.2 -5,-0.1 0.878 85.0 33.4 -71.4 -38.6 -9.2 -8.8 34.3 50 54 A V S > S- 0 0 5 -4,-0.4 3,-2.4 -6,-0.3 -2,-0.3 -0.913 99.6 -86.1-120.3 147.1 -8.5 -5.4 32.8 51 55 A A G > S+ 0 0 34 387,-2.6 3,-1.6 -2,-0.3 390,-0.3 -0.185 116.6 2.6 -44.3 127.7 -10.6 -2.1 32.7 52 56 A G G 3 S- 0 0 66 1,-0.3 -1,-0.3 388,-0.1 3,-0.1 0.633 119.4 -83.6 68.6 14.7 -13.0 -2.3 29.7 53 57 A N G < S+ 0 0 88 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.824 85.7 161.9 48.6 36.5 -11.7 -5.9 28.9 54 58 A Q < - 0 0 94 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.2 -0.353 17.8-178.6 -82.9 163.3 -8.9 -4.0 27.1 55 59 A N - 0 0 33 -3,-0.1 4,-0.5 -2,-0.1 3,-0.4 -0.896 40.0-102.2-150.1 177.5 -5.6 -5.6 26.1 56 60 A G S S+ 0 0 1 -2,-0.3 -28,-0.3 1,-0.2 -26,-0.2 0.151 74.7 120.4 -94.8 20.1 -2.3 -4.7 24.4 57 61 A D S S+ 0 0 55 1,-0.2 -27,-1.6 -28,-0.1 -28,-0.7 0.879 101.0 1.4 -51.1 -45.0 -3.1 -6.4 21.0 58 62 A V S > S+ 0 0 53 -3,-0.4 3,-2.4 -30,-0.3 4,-0.2 0.723 87.1 160.2-110.6 -42.7 -2.7 -3.0 19.3 59 63 A A T 3 S- 0 0 5 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.310 82.0 -26.6 55.6-128.9 -1.7 -0.6 22.1 60 64 A T T 3 S- 0 0 0 -34,-0.5 -1,-0.3 -35,-0.1 -33,-0.1 0.430 82.6-126.6 -92.6 -0.8 -0.0 2.4 20.6 61 65 A D X> + 0 0 0 -3,-2.4 4,-1.7 -35,-0.1 3,-1.3 0.845 52.5 157.2 57.6 37.8 1.1 0.4 17.5 62 66 A Q H 3> + 0 0 3 -36,-2.4 4,-1.1 1,-0.3 -35,-0.2 0.810 61.7 75.8 -63.2 -23.7 4.7 1.5 18.1 63 67 A Y H 34 S+ 0 0 22 -36,-2.3 -1,-0.3 -37,-0.3 -35,-0.1 0.865 109.7 26.1 -51.6 -42.7 5.7 -1.6 16.1 64 68 A H H <4 S+ 0 0 20 -3,-1.3 3,-0.3 -37,-0.3 -1,-0.2 0.750 128.9 44.2 -90.2 -24.8 4.7 0.1 12.9 65 69 A R H >X S+ 0 0 2 -4,-1.7 4,-2.0 1,-0.2 3,-0.8 0.202 70.2 119.5-108.5 15.3 5.2 3.7 14.0 66 70 A Y H 3X S+ 0 0 31 -4,-1.1 4,-2.3 1,-0.3 -1,-0.2 0.778 74.6 54.4 -63.2 -29.0 8.5 3.6 15.8 67 71 A K H 3> S+ 0 0 46 859,-0.4 4,-2.4 -3,-0.3 -1,-0.3 0.875 107.4 51.3 -71.5 -36.7 10.2 6.1 13.4 68 72 A E H <> S+ 0 0 21 -3,-0.8 4,-2.2 859,-0.3 -2,-0.2 0.944 111.9 47.1 -57.1 -50.0 7.5 8.6 14.1 69 73 A D H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.880 112.4 49.0 -65.6 -38.3 8.0 8.2 17.9 70 74 A V H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.914 109.9 51.6 -66.0 -41.9 11.8 8.5 17.6 71 75 A N H X S+ 0 0 41 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.927 111.0 50.1 -58.8 -42.1 11.5 11.6 15.5 72 76 A L H X S+ 0 0 25 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.941 109.2 48.6 -64.1 -49.3 9.2 13.0 18.2 73 77 A M H <>S+ 0 0 0 -4,-2.6 5,-1.7 1,-0.2 3,-0.3 0.902 112.4 49.6 -61.2 -36.9 11.6 12.2 21.1 74 78 A K H ><5S+ 0 0 89 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.918 107.9 53.7 -63.8 -42.3 14.5 13.8 19.2 75 79 A S H 3<5S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.746 104.5 55.9 -64.4 -23.5 12.4 16.9 18.5 76 80 A L T 3<5S- 0 0 1 -4,-1.4 -1,-0.3 -3,-0.3 394,-0.2 0.275 117.5-114.6 -91.6 8.1 11.7 17.2 22.3 77 81 A N T < 5 + 0 0 39 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.644 59.9 154.0 68.6 21.4 15.5 17.2 23.0 78 82 A F < - 0 0 6 -5,-1.7 -1,-0.2 1,-0.1 -60,-0.2 -0.463 35.0-155.3 -73.9 155.0 15.8 13.9 24.8 79 83 A D S S+ 0 0 32 -62,-2.7 40,-2.8 1,-0.1 2,-0.3 0.527 70.3 22.2-101.7 -17.3 19.2 12.1 24.8 80 84 A A E -bc 18 119A 0 -63,-1.2 -61,-1.1 38,-0.3 2,-0.4 -0.973 56.9-145.1-153.9 161.2 18.0 8.6 25.4 81 85 A Y E -bc 19 120A 0 38,-2.5 40,-2.9 -2,-0.3 2,-0.6 -0.988 9.2-155.4-139.8 122.4 15.1 6.1 25.3 82 86 A R E +bc 20 121A 0 -63,-2.7 -61,-2.0 -2,-0.4 2,-0.3 -0.895 32.7 148.3 -96.9 120.8 14.3 3.4 27.7 83 87 A F E - c 0 122A 5 38,-1.9 40,-2.7 -2,-0.6 2,-0.3 -0.896 36.0-121.7-139.4 170.9 12.3 0.6 26.2 84 88 A S E - c 0 123A 1 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.839 11.5-128.1-118.9 154.9 12.1 -3.2 26.7 85 89 A I - 0 0 0 38,-2.5 2,-0.6 -2,-0.3 41,-0.2 -0.891 28.2-125.6 -94.1 131.3 12.5 -6.2 24.4 86 90 A S >> - 0 0 0 -2,-0.5 4,-1.4 1,-0.2 3,-1.3 -0.728 13.3-152.2 -77.7 116.3 9.6 -8.7 24.5 87 91 A W H >> S+ 0 0 0 -2,-0.6 4,-3.2 1,-0.3 3,-0.6 0.914 96.6 50.4 -54.1 -44.9 11.1 -12.1 25.4 88 92 A S H 34 S+ 0 0 0 40,-0.5 -52,-2.7 1,-0.2 -1,-0.3 0.600 102.6 59.7 -77.4 -11.2 8.3 -13.9 23.6 89 93 A R H <4 S+ 0 0 1 -3,-1.3 13,-0.3 -54,-0.3 -1,-0.2 0.793 116.2 34.7 -79.8 -31.9 8.8 -11.7 20.4 90 94 A I H << S+ 0 0 0 -4,-1.4 9,-3.2 -3,-0.6 -2,-0.2 0.911 137.4 20.4 -79.8 -51.9 12.4 -13.1 20.3 91 95 A F S >< S- 0 0 20 -4,-3.2 3,-2.6 7,-0.2 -1,-0.3 -0.885 70.4-165.5-119.4 93.3 11.7 -16.6 21.6 92 96 A P T 3 S+ 0 0 7 0, 0.0 40,-0.4 0, 0.0 39,-0.1 0.809 95.4 36.6 -54.2 -29.7 7.9 -17.3 21.1 93 97 A D T 3 S- 0 0 85 4,-0.4 -5,-0.1 2,-0.4 5,-0.1 0.288 116.2-113.7-101.6 8.0 8.2 -20.3 23.5 94 98 A G S < S+ 0 0 3 -3,-2.6 2,-0.3 -7,-0.2 58,-0.1 0.277 94.9 37.1 83.4 -13.2 10.8 -18.6 25.7 95 99 A E S S+ 0 0 56 2,-0.1 2,-0.6 -7,-0.1 -2,-0.4 -0.936 103.8 22.4-155.7 162.1 13.5 -21.1 24.8 96 100 A G S S+ 0 0 66 -2,-0.3 2,-0.1 -4,-0.1 -2,-0.0 -0.628 96.4 54.5 84.8-118.0 14.5 -22.8 21.5 97 101 A R - 0 0 148 -2,-0.6 -4,-0.4 1,-0.1 2,-0.4 -0.344 70.0-139.2 -70.6 133.2 13.5 -21.3 18.2 98 102 A V - 0 0 33 -7,-0.2 2,-1.0 -2,-0.1 -7,-0.2 -0.736 9.0-136.4 -89.0 133.3 14.3 -17.7 17.4 99 103 A N >> - 0 0 14 -9,-3.2 4,-2.0 -2,-0.4 3,-0.8 -0.788 17.0-167.1 -87.9 98.9 11.7 -15.5 15.7 100 104 A Q H 3> S+ 0 0 132 -2,-1.0 4,-2.2 1,-0.3 -1,-0.2 0.825 85.1 58.1 -62.4 -33.3 13.9 -13.7 13.1 101 105 A E H 3> S+ 0 0 106 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.853 106.6 49.6 -61.9 -36.5 11.1 -11.2 12.3 102 106 A G H <> S+ 0 0 0 -3,-0.8 4,-1.7 -13,-0.3 -2,-0.2 0.927 109.6 51.0 -66.6 -46.8 11.1 -10.2 16.1 103 107 A V H X S+ 0 0 9 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.905 107.4 54.1 -53.7 -45.6 14.9 -9.8 16.0 104 108 A A H X S+ 0 0 43 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.866 103.7 56.2 -59.8 -41.2 14.6 -7.6 12.9 105 109 A Y H X S+ 0 0 8 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.964 111.0 42.2 -56.8 -54.4 12.2 -5.2 14.7 106 110 A Y H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 5,-0.3 0.883 113.3 53.2 -65.9 -36.8 14.6 -4.5 17.6 107 111 A N H X S+ 0 0 37 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.954 111.6 46.6 -56.7 -46.9 17.5 -4.2 15.2 108 112 A N H X S+ 0 0 80 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.879 114.4 46.6 -61.7 -42.1 15.5 -1.6 13.2 109 113 A L H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.940 115.1 45.3 -65.7 -50.6 14.5 0.3 16.3 110 114 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.928 113.9 50.3 -59.1 -45.8 18.0 0.3 17.8 111 115 A N H X S+ 0 0 69 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.2 0.894 111.6 46.9 -62.5 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4,-1.6 -2,-0.5 3,-1.1 0.886 59.1-178.1 47.2 63.5 10.2 -3.8 39.5 173 177 A P H 3> S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.805 81.3 66.7 -59.4 -26.2 10.6 -7.4 40.7 174 178 A R H 3> S+ 0 0 19 2,-0.2 4,-3.0 1,-0.2 5,-0.1 0.898 101.8 45.7 -57.5 -41.0 9.0 -6.1 43.9 175 179 A I H <>>S+ 0 0 25 -3,-1.1 4,-2.7 2,-0.2 5,-0.7 0.862 110.3 53.0 -76.2 -36.8 5.7 -5.5 42.0 176 180 A V H X5S+ 0 0 13 -4,-1.6 4,-2.0 3,-0.2 5,-0.5 0.971 115.0 42.4 -55.1 -50.9 5.9 -8.9 40.3 177 181 A A H X>S+ 0 0 0 -4,-2.6 4,-1.4 3,-0.2 5,-0.6 0.943 120.6 42.2 -60.7 -49.7 6.3 -10.5 43.8 178 182 A L H X>S+ 0 0 15 -4,-3.0 5,-3.1 3,-0.2 4,-1.3 0.959 126.3 28.6 -64.2 -57.6 3.6 -8.3 45.4 179 183 A L H <5S+ 0 0 35 -4,-2.7 7,-2.1 3,-0.2 6,-1.7 0.851 126.3 43.3 -80.4 -34.6 0.9 -8.3 42.7 180 184 A G H < S- 0 0 10 -7,-2.1 3,-2.6 4,-0.1 4,-0.4 -0.929 106.4 -41.3-122.3 159.2 -1.4 -9.5 38.3 187 191 A P T 3 S+ 0 0 12 0, 0.0 -7,-0.1 0, 0.0 -2,-0.1 -0.277 127.4 32.5 -60.5 144.4 -0.5 -12.6 36.5 188 192 A P T 3 S- 0 0 24 0, 0.0 -8,-0.1 0, 0.0 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