==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JUN-11 3SCR . 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) . 33888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 681 72.1 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 . 35 3.7 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 . 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 7 2 2 6 0 5 1 0 0 0 6 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 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 . 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,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.9 9.5 31.2 34.9 2 6 A W T 3 + 0 0 97 1,-0.3 405,-0.1 2,-0.1 463,-0.0 0.801 360.0 51.6 -62.5 -27.9 7.7 28.1 33.7 3 7 A L T > S- 0 0 28 465,-0.0 3,-1.6 3,-0.0 -1,-0.3 0.671 101.1-142.1 -74.9 -19.0 11.0 26.1 33.7 4 8 A G T < - 0 0 39 -3,-1.7 -2,-0.1 1,-0.3 3,-0.1 0.859 68.1 -51.5 58.3 36.0 11.5 27.4 37.3 5 9 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 406,-0.0 2,-0.3 0.449 105.1 137.1 82.7 2.4 15.2 27.8 36.6 6 10 A L < + 0 0 5 -3,-1.6 -1,-0.3 3,-0.1 2,-0.3 -0.607 14.2 128.7 -84.8 143.6 15.7 24.3 35.3 7 11 A S S > S- 0 0 44 -2,-0.3 3,-1.6 -3,-0.1 4,-0.3 -0.934 73.9 -80.9-170.1 177.1 17.8 23.5 32.2 8 12 A R G > S+ 0 0 49 461,-0.8 3,-1.3 463,-0.3 7,-0.2 0.830 127.0 62.6 -62.0 -28.9 20.6 21.2 31.2 9 13 A A G 3 S+ 0 0 95 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.702 94.2 62.6 -66.7 -20.3 23.0 23.6 32.9 10 14 A A G < S+ 0 0 15 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.540 103.0 57.9 -82.8 -9.2 21.2 23.0 36.2 11 15 A F S < S- 0 0 11 -3,-1.3 3,-0.1 -4,-0.3 4,-0.1 -0.751 102.2 -75.0-115.4 166.2 22.3 19.3 36.1 12 16 A P > - 0 0 38 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.136 59.6 -85.3 -59.9 154.1 25.7 17.6 35.9 13 17 A K T 3 S+ 0 0 176 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 -0.334 116.5 11.5 -54.6 136.8 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 0.548 85.8 161.6 67.3 7.9 26.7 14.7 30.5 15 19 A F < - 0 0 10 -3,-2.1 2,-0.4 -7,-0.2 -1,-0.2 -0.420 37.8-126.2 -57.5 135.3 23.6 14.0 32.7 16 20 A V E -a 425 0A 26 408,-2.0 410,-2.7 -3,-0.1 2,-0.4 -0.749 24.3-169.9 -93.8 127.4 21.2 11.8 30.6 17 21 A F E +a 426 0A 1 -2,-0.4 62,-2.7 408,-0.2 63,-1.3 -0.974 22.0 148.2-113.4 132.5 17.6 12.8 30.0 18 22 A G E -ab 427 80A 0 408,-2.5 410,-2.4 -2,-0.4 2,-0.3 -0.858 38.7-119.7-145.4-179.4 15.2 10.3 28.4 19 23 A T E -ab 428 81A 0 61,-1.0 63,-2.8 408,-0.3 2,-0.3 -0.823 28.0-140.7-121.0 168.7 11.6 8.9 28.1 20 24 A V E +ab 429 82A 0 408,-1.8 411,-1.7 -2,-0.3 410,-0.6 -0.955 24.8 157.8-135.5 142.6 10.4 5.4 28.8 21 25 A T - 0 0 1 61,-2.1 2,-0.3 -2,-0.3 3,-0.1 -0.884 26.6-134.9-140.5 179.1 8.0 2.8 27.5 22 26 A S > - 0 0 0 -2,-0.3 4,-1.6 61,-0.2 5,-0.3 -0.964 26.1-110.4-134.4 160.3 7.7 -1.0 27.8 23 27 A A H >> S+ 0 0 2 -2,-0.3 4,-2.8 1,-0.2 3,-0.6 0.899 112.8 39.6 -56.8 -56.8 7.1 -3.6 25.1 24 28 A Y H 34 S+ 0 0 7 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.821 113.5 56.8 -67.2 -28.6 3.6 -4.8 26.0 25 29 A Q H 34 S+ 0 0 1 -3,-0.2 410,-1.9 1,-0.1 -1,-0.2 0.796 127.6 8.1 -75.8 -24.9 2.4 -1.3 26.9 26 30 A V H << S+ 0 0 1 -4,-1.6 36,-2.4 -3,-0.6 34,-0.4 0.674 108.4 74.0-126.4 -24.6 3.2 0.3 23.5 27 31 A E < - 0 0 7 -4,-2.8 36,-2.1 -5,-0.3 37,-0.3 0.897 61.2-174.5 -67.5 -44.5 4.3 -2.1 20.7 28 32 A G + 0 0 4 -5,-0.4 30,-0.3 28,-0.3 -1,-0.1 -0.432 51.3 102.2 69.3-155.3 1.1 -3.8 19.7 29 33 A M > + 0 0 7 28,-0.7 3,-1.2 -2,-0.1 6,-0.3 0.880 47.0 161.1 43.8 43.3 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 0.794 75.3 24.8 -65.1 -31.5 1.0 -8.8 20.2 31 35 A A T 3 S+ 0 0 85 26,-0.3 -1,-0.3 6,-0.1 2,-0.3 -0.054 118.0 74.6-122.4 27.2 -0.0 -11.9 18.1 32 36 A S S X S+ 0 0 19 -3,-1.2 3,-1.8 1,-0.1 473,-0.1 -0.812 72.5 44.3-132.0 173.4 1.7 -10.8 14.9 33 37 A G T 3 S- 0 0 5 1,-0.3 -1,-0.1 -2,-0.3 72,-0.1 0.760 129.5 -64.3 63.2 22.7 5.2 -10.6 13.5 34 38 A G T 3 S+ 0 0 38 1,-0.2 -1,-0.3 -3,-0.2 2,-0.1 0.412 90.6 154.6 82.5 -1.2 5.8 -14.1 15.0 35 39 A R < - 0 0 16 -3,-1.8 54,-0.3 -6,-0.3 -1,-0.2 -0.368 34.2-143.6 -63.6 132.9 5.4 -13.0 18.6 36 40 A G - 0 0 7 52,-2.7 52,-0.1 1,-0.1 57,-0.1 -0.570 33.6 -87.9 -86.9 161.4 4.3 -15.7 21.1 37 41 A P - 0 0 65 0, 0.0 94,-2.8 0, 0.0 95,-0.5 -0.387 35.5-149.7 -72.6 147.5 2.0 -14.8 24.0 38 42 A S B >> -I 130 0B 0 92,-0.3 4,-1.7 93,-0.2 3,-0.5 -0.594 36.6 -99.2 -98.1 172.7 3.1 -13.6 27.3 39 43 A I H 3> S+ 0 0 14 90,-2.6 4,-2.3 1,-0.2 5,-0.1 0.815 126.1 58.0 -61.4 -27.1 1.4 -14.1 30.6 40 44 A W H 3> S+ 0 0 5 89,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.820 100.3 55.1 -71.9 -31.8 -0.0 -10.6 30.1 41 45 A D H <> S+ 0 0 12 -3,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.961 112.8 42.7 -62.4 -50.4 -1.7 -11.6 26.8 42 46 A A H < S+ 0 0 41 -4,-1.7 4,-0.4 1,-0.2 -2,-0.2 0.929 116.9 47.5 -59.5 -47.1 -3.5 -14.4 28.5 43 47 A F H >< S+ 0 0 10 -4,-2.3 3,-1.4 1,-0.2 6,-0.3 0.937 113.1 46.8 -61.3 -49.2 -4.4 -12.3 31.6 44 48 A A H 3< S+ 0 0 2 -4,-2.8 6,-0.3 1,-0.3 -1,-0.2 0.752 107.1 58.0 -71.0 -23.7 -5.7 -9.3 29.6 45 49 A H T 3< S+ 0 0 99 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.518 84.9 94.9 -82.9 -6.2 -7.7 -11.5 27.2 46 50 A T S X S- 0 0 69 -3,-1.4 3,-2.0 -4,-0.4 4,-0.4 -0.778 88.8-111.2 -87.0 122.1 -9.7 -12.9 30.2 47 51 A P T 3 S+ 0 0 101 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.257 99.6 21.5 -54.6 135.5 -12.9 -10.9 30.7 48 52 A G T 3 S+ 0 0 62 2,-0.3 4,-0.1 -4,-0.1 -4,-0.1 0.145 96.1 96.8 95.9 -17.5 -12.9 -8.8 33.9 49 53 A N S < S+ 0 0 28 -3,-2.0 2,-0.3 -6,-0.3 -5,-0.1 0.864 85.4 34.3 -75.7 -35.7 -9.1 -8.7 34.4 50 54 A V S > S- 0 0 5 -4,-0.4 3,-2.3 -6,-0.3 -2,-0.3 -0.893 100.0 -85.5-121.5 147.8 -8.5 -5.3 32.8 51 55 A A G > S+ 0 0 35 387,-2.6 3,-1.6 -2,-0.3 390,-0.3 -0.229 115.9 1.3 -47.0 129.5 -10.6 -2.1 32.7 52 56 A G G 3 S- 0 0 65 1,-0.3 -1,-0.3 388,-0.1 3,-0.1 0.639 119.6 -82.3 63.5 17.3 -13.1 -2.3 29.8 53 57 A N G < S+ 0 0 86 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.824 86.0 160.9 53.3 34.4 -11.7 -5.8 28.9 54 58 A Q < - 0 0 97 -3,-1.6 2,-0.3 384,-0.1 -1,-0.2 -0.365 17.9-177.9 -85.5 165.8 -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 -0.891 39.7-102.4-150.0 179.2 -5.6 -5.5 26.1 56 60 A G S S+ 0 0 1 -2,-0.3 -28,-0.3 1,-0.2 -26,-0.2 0.133 74.4 119.9 -97.2 21.4 -2.3 -4.7 24.4 57 61 A D S S+ 0 0 56 1,-0.2 -27,-1.6 -28,-0.1 -28,-0.7 0.878 101.3 0.5 -53.7 -41.5 -3.1 -6.3 21.0 58 62 A V S > S+ 0 0 51 -3,-0.4 3,-2.3 -30,-0.3 4,-0.2 0.705 86.5 160.7-116.5 -40.2 -2.6 -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 -0.266 81.7 -26.2 52.3-130.1 -1.7 -0.6 22.1 60 64 A T T 3 S- 0 0 0 -34,-0.4 -1,-0.3 -35,-0.2 -33,-0.1 0.455 82.2-127.7 -90.0 -2.4 -0.0 2.5 20.5 61 65 A D X> + 0 0 0 -3,-2.3 4,-1.6 -35,-0.2 3,-1.3 0.839 51.7 157.4 57.3 37.4 1.1 0.4 17.5 62 66 A Q H 3> + 0 0 4 -36,-2.4 4,-1.0 1,-0.3 -35,-0.2 0.815 61.6 76.4 -61.4 -24.3 4.7 1.6 18.0 63 67 A Y H 34 S+ 0 0 23 -36,-2.1 -1,-0.3 -37,-0.3 3,-0.2 0.884 108.3 27.0 -50.9 -42.2 5.7 -1.5 16.1 64 68 A H H <4 S+ 0 0 21 -3,-1.3 3,-0.2 -37,-0.3 -1,-0.2 0.753 128.6 43.8 -91.0 -22.7 4.6 0.2 12.8 65 69 A R H >X + 0 0 2 -4,-1.6 4,-1.9 1,-0.2 3,-0.7 0.130 69.7 121.5-112.4 16.7 5.2 3.8 13.9 66 70 A Y H 3X S+ 0 0 30 -4,-1.0 4,-2.5 1,-0.3 5,-0.2 0.805 73.9 54.6 -62.4 -30.9 8.6 3.6 15.7 67 71 A K H 3> S+ 0 0 46 859,-0.4 4,-2.5 -3,-0.2 -1,-0.3 0.883 107.0 51.9 -70.0 -35.7 10.3 6.1 13.4 68 72 A E H <> S+ 0 0 21 -3,-0.7 4,-2.1 859,-0.3 -2,-0.2 0.952 112.4 46.0 -57.4 -48.9 7.5 8.7 14.0 69 73 A D H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.882 113.2 48.1 -66.3 -39.2 8.0 8.2 17.8 70 74 A V H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.922 110.7 52.5 -66.9 -41.8 11.9 8.4 17.6 71 75 A N H X S+ 0 0 44 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.912 110.4 49.3 -56.4 -41.6 11.6 11.5 15.5 72 76 A L H X S+ 0 0 26 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.938 109.0 49.1 -66.5 -47.3 9.3 13.0 18.1 73 77 A M H <>S+ 0 0 0 -4,-2.4 5,-1.8 1,-0.2 -1,-0.2 0.873 112.1 50.1 -64.4 -34.2 11.6 12.2 21.1 74 78 A K H ><5S+ 0 0 90 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.912 107.7 53.8 -66.5 -40.2 14.6 13.8 19.1 75 79 A S H 3<5S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.763 104.7 55.7 -64.0 -24.6 12.4 16.9 18.4 76 80 A L T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 -3,-0.1 394,-0.2 0.303 117.6-114.3 -92.5 7.3 11.8 17.2 22.2 77 81 A N T < 5 + 0 0 43 -3,-1.8 -3,-0.2 1,-0.2 2,-0.1 0.637 59.9 153.8 71.8 20.0 15.6 17.2 22.9 78 82 A F < - 0 0 5 -5,-1.8 -1,-0.2 1,-0.1 -60,-0.2 -0.479 35.1-154.9 -73.9 153.1 15.9 13.9 24.8 79 83 A D S S+ 0 0 30 -62,-2.7 40,-2.8 -2,-0.1 2,-0.3 0.561 70.2 22.4 -97.3 -19.8 19.3 12.1 24.8 80 84 A A E -bc 18 119A 0 -63,-1.3 -61,-1.0 38,-0.3 2,-0.4 -0.950 57.2-144.4-152.9 162.7 18.1 8.6 25.4 81 85 A Y E -bc 19 120A 0 38,-2.6 40,-2.7 -2,-0.3 2,-0.6 -0.979 9.0-155.9-141.5 121.0 15.2 6.2 25.2 82 86 A R E +bc 20 121A 0 -63,-2.8 -61,-2.1 -2,-0.4 2,-0.3 -0.885 32.2 148.1 -95.9 121.2 14.4 3.4 27.7 83 87 A F E - c 0 122A 4 38,-1.9 40,-2.7 -2,-0.6 2,-0.3 -0.889 36.1-121.2-141.0 170.1 12.3 0.6 26.1 84 88 A S E - c 0 123A 1 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.832 11.8-128.6-116.2 156.9 12.1 -3.2 26.6 85 89 A I - 0 0 0 38,-2.4 2,-0.7 -2,-0.3 41,-0.2 -0.897 28.4-125.4 -97.2 130.1 12.5 -6.2 24.4 86 90 A S >> - 0 0 0 -2,-0.5 4,-1.4 1,-0.2 3,-1.1 -0.700 13.5-152.2 -79.0 117.1 9.6 -8.6 24.5 87 91 A W H >> S+ 0 0 0 -2,-0.7 4,-3.1 1,-0.3 3,-0.6 0.915 96.3 49.7 -56.2 -45.9 11.1 -12.0 25.4 88 92 A S H 34 S+ 0 0 0 40,-0.5 -52,-2.7 1,-0.2 -1,-0.3 0.620 103.4 59.7 -77.5 -9.5 8.3 -13.8 23.6 89 93 A R H <4 S+ 0 0 0 -3,-1.1 13,-0.3 -54,-0.3 -1,-0.2 0.806 115.8 35.0 -79.0 -31.3 8.8 -11.7 20.4 90 94 A I H << S+ 0 0 0 -4,-1.4 9,-3.1 -3,-0.6 -2,-0.2 0.910 137.5 19.9 -80.6 -50.8 12.4 -13.0 20.3 91 95 A F S >< S- 0 0 20 -4,-3.1 3,-2.4 7,-0.2 -1,-0.3 -0.895 70.8-164.1-122.2 96.2 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,-0.2 0.796 95.3 36.3 -56.7 -29.7 7.9 -17.3 21.1 93 97 A D T 3 S- 0 0 81 2,-0.4 -5,-0.1 4,-0.4 3,-0.1 0.273 116.5-112.2-101.5 6.9 8.2 -20.3 23.5 94 98 A G S < S+ 0 0 3 -3,-2.4 2,-0.3 -7,-0.2 58,-0.1 0.300 95.9 36.8 83.5 -12.2 10.7 -18.6 25.8 95 99 A E S S+ 0 0 53 2,-0.1 2,-0.5 -7,-0.1 -2,-0.4 -0.937 103.2 22.8-157.0 164.3 13.5 -21.0 24.7 96 100 A G S S+ 0 0 66 -2,-0.3 2,-0.0 -4,-0.1 -2,-0.0 -0.611 96.1 54.5 81.7-117.9 14.5 -22.8 21.5 97 101 A R S S- 0 0 148 -2,-0.5 2,-0.4 1,-0.1 -4,-0.4 -0.299 70.4-139.4 -68.0 131.9 13.4 -21.3 18.2 98 102 A V - 0 0 34 -7,-0.2 2,-1.0 -6,-0.1 -7,-0.2 -0.750 9.2-136.9 -86.6 134.9 14.3 -17.7 17.4 99 103 A N >> - 0 0 15 -9,-3.1 4,-1.9 -2,-0.4 3,-0.6 -0.825 17.1-167.4 -89.6 100.7 11.7 -15.5 15.7 100 104 A Q H 3> S+ 0 0 128 -2,-1.0 4,-2.4 1,-0.3 -1,-0.2 0.826 84.3 59.7 -63.2 -33.2 13.9 -13.7 13.2 101 105 A E H 3> S+ 0 0 106 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.887 106.3 48.4 -61.4 -37.7 11.1 -11.2 12.3 102 106 A G H <> S+ 0 0 0 -3,-0.6 4,-1.8 -13,-0.3 -2,-0.2 0.922 109.7 51.7 -66.6 -45.1 11.1 -10.1 16.0 103 107 A V H X S+ 0 0 8 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.905 107.2 54.3 -54.6 -44.9 14.9 -9.8 16.0 104 108 A A H X S+ 0 0 42 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.862 103.4 56.1 -60.5 -39.7 14.6 -7.6 12.9 105 109 A Y H X S+ 0 0 8 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.960 110.5 42.9 -58.6 -51.2 12.2 -5.2 14.6 106 110 A Y H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.3 0.887 112.6 53.9 -68.7 -33.3 14.6 -4.5 17.5 107 111 A N H X S+ 0 0 38 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.958 111.1 46.5 -57.9 -46.7 17.5 -4.2 15.1 108 112 A N H X S+ 0 0 79 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.873 114.4 46.8 -63.6 -42.4 15.5 -1.6 13.2 109 113 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.943 114.7 45.8 -62.7 -51.2 14.5 0.3 16.3 110 114 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.916 113.5 49.7 -60.2 -45.2 18.0 0.3 17.8 111 115 A N H X S+ 0 0 69 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.899 111.4 48.2 -64.1 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4,-1.5 -2,-0.5 3,-1.0 0.908 59.7-179.0 48.3 62.4 10.3 -3.7 39.5 173 177 A P H 3> S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.801 80.2 67.0 -59.6 -24.0 10.6 -7.3 40.6 174 178 A R H 3> S+ 0 0 18 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.906 100.5 47.8 -59.4 -39.8 8.9 -6.1 43.9 175 179 A I H <>>S+ 0 0 28 -3,-1.0 4,-2.6 2,-0.2 5,-0.7 0.871 109.6 52.3 -72.6 -37.2 5.7 -5.4 42.0 176 180 A V H X5S+ 0 0 18 -4,-1.5 4,-1.9 2,-0.2 5,-0.4 0.962 115.2 42.1 -57.9 -50.5 5.8 -8.8 40.3 177 181 A A H X>S+ 0 0 0 -4,-2.7 4,-1.4 3,-0.2 5,-0.5 0.931 120.1 43.2 -61.5 -47.4 6.2 -10.4 43.8 178 182 A L H X>S+ 0 0 18 -4,-3.2 5,-3.0 3,-0.2 4,-1.3 0.960 126.0 27.6 -65.4 -55.3 3.6 -8.1 45.4 179 183 A L H <5S+ 0 0 35 -4,-2.6 7,-2.3 3,-0.2 6,-1.4 0.806 126.7 44.3 -84.6 -29.7 0.8 -8.1 42.8 180 184 A G H < S- 0 0 15 -7,-2.3 3,-2.7 4,-0.1 4,-0.4 -0.828 105.5 -36.1-116.3 162.4 -1.6 -9.3 38.4 187 191 A P T 3 S+ 0 0 12 0, 0.0 -2,-0.1 0, 0.0 -6,-0.1 -0.282 127.8 28.6 -62.7 145.0 -0.5 -12.5 36.5 188 192 A P T 3 S- 0 0 25 0, 0.0 -8,-0.1 0, 0.0 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