==== 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 04-OCT-07 2RGM . 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, . 942 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 685 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 3.8 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 . 53 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 305 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 3.1 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 8 2 2 6 0 5 1 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 4 10 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 . 4 4 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 . 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 6 A W 0 0 145 0, 0.0 405,-0.1 0, 0.0 463,-0.0 0.000 360.0 360.0 360.0 -95.9 7.3 27.4 33.6 2 7 A L > - 0 0 42 1,-0.1 3,-1.5 2,-0.0 462,-0.0 0.755 360.0-149.8 -79.7 -23.5 10.9 26.1 34.0 3 8 A G T 3 S- 0 0 59 1,-0.3 3,-0.1 2,-0.0 -1,-0.1 0.866 72.4 -51.3 58.8 37.5 11.5 27.3 37.5 4 9 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.491 104.5 137.3 80.2 3.6 15.2 27.7 36.9 5 10 A L < + 0 0 5 -3,-1.5 -1,-0.3 3,-0.1 2,-0.3 -0.631 15.0 126.5 -87.2 146.3 15.6 24.2 35.5 6 11 A S S > S- 0 0 42 -2,-0.3 3,-1.4 -3,-0.1 4,-0.3 -0.921 75.7 -77.7-175.4 173.8 17.7 23.5 32.4 7 12 A R G > S+ 0 0 51 461,-0.8 3,-1.8 463,-0.4 7,-0.2 0.873 128.1 61.7 -54.0 -38.8 20.6 21.3 31.3 8 13 A A G 3 S+ 0 0 95 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.730 94.8 62.5 -61.5 -23.2 22.9 23.7 33.2 9 14 A A G < S+ 0 0 14 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.519 102.8 56.8 -81.4 -9.6 21.1 22.9 36.4 10 15 A F S < S- 0 0 12 -3,-1.8 3,-0.1 -4,-0.3 4,-0.1 -0.801 100.7 -77.5-118.8 162.3 22.1 19.2 36.3 11 16 A P > - 0 0 36 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.132 58.2 -85.5 -58.6 154.3 25.6 17.6 36.1 12 17 A K T 3 S+ 0 0 173 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 -0.339 117.1 14.3 -53.6 133.8 27.6 17.5 32.9 13 18 A R T 3 S+ 0 0 227 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.532 85.1 160.5 73.6 5.6 26.6 14.5 30.8 14 19 A F < - 0 0 11 -3,-2.1 2,-0.5 -7,-0.2 -1,-0.2 -0.385 37.6-128.6 -57.8 134.2 23.4 13.9 32.9 15 20 A V E -a 424 0A 27 408,-2.2 410,-2.5 -3,-0.1 2,-0.5 -0.774 23.3-170.2 -97.8 126.3 21.1 11.8 30.8 16 21 A F E +a 425 0A 1 -2,-0.5 62,-3.0 408,-0.2 63,-1.2 -0.967 22.8 144.5-111.3 130.4 17.4 12.7 30.2 17 22 A G E -ab 426 79A 0 408,-2.6 410,-2.4 -2,-0.5 2,-0.3 -0.842 40.5-118.0-145.0-175.6 15.0 10.3 28.5 18 23 A T E -ab 427 80A 0 61,-1.1 63,-2.9 408,-0.3 2,-0.4 -0.848 27.7-143.5-124.3 164.5 11.5 8.9 28.3 19 24 A V E +ab 428 81A 0 408,-2.0 411,-1.1 -2,-0.3 410,-0.6 -0.975 22.9 160.4-135.2 142.3 10.4 5.3 29.0 20 25 A T - 0 0 2 61,-2.1 2,-0.3 -2,-0.4 3,-0.1 -0.813 27.2-130.8-136.3 179.4 7.9 2.8 27.6 21 26 A S > - 0 0 0 -2,-0.3 4,-1.6 61,-0.2 5,-0.4 -0.968 24.7-112.7-133.6 158.8 7.6 -1.0 27.9 22 27 A A H >> S+ 0 0 1 -2,-0.3 4,-2.9 1,-0.2 3,-0.6 0.914 112.2 40.4 -57.8 -56.1 7.0 -3.6 25.1 23 28 A Y H 34 S+ 0 0 7 102,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.821 113.9 55.8 -66.7 -28.4 3.5 -4.8 25.9 24 29 A Q H 34 S+ 0 0 1 -3,-0.1 410,-1.9 1,-0.1 -1,-0.2 0.773 127.0 10.8 -77.4 -23.7 2.3 -1.3 26.9 25 30 A V H << S+ 0 0 1 -4,-1.6 36,-2.3 -3,-0.6 34,-0.5 0.660 108.9 73.0-124.2 -25.1 3.2 0.3 23.5 26 31 A E < - 0 0 6 -4,-2.9 36,-2.1 -5,-0.4 37,-0.3 0.893 60.8-174.2 -66.9 -43.7 4.2 -2.1 20.8 27 32 A G + 0 0 4 -5,-0.4 30,-0.3 28,-0.3 -1,-0.1 -0.442 51.8 102.3 67.2-155.9 1.0 -3.7 19.7 28 33 A M > + 0 0 8 28,-0.6 3,-1.1 -2,-0.1 6,-0.3 0.897 47.2 161.0 44.2 44.3 1.4 -6.6 17.1 29 34 A A T 3 S+ 0 0 3 27,-1.8 -1,-0.1 1,-0.3 27,-0.1 0.837 75.0 23.4 -64.9 -35.1 0.9 -8.8 20.2 30 35 A A T 3 S+ 0 0 88 26,-0.3 -1,-0.3 6,-0.1 2,-0.3 -0.079 118.3 76.6-121.5 31.8 -0.1 -11.9 18.1 31 36 A S S X S+ 0 0 18 -3,-1.1 3,-1.8 1,-0.1 472,-0.1 -0.827 71.5 42.8-136.1 170.6 1.6 -10.8 14.9 32 37 A G T 3 S- 0 0 5 1,-0.3 -1,-0.1 -2,-0.3 72,-0.1 0.747 129.3 -63.4 61.4 22.5 5.1 -10.6 13.5 33 38 A G T 3 S+ 0 0 37 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.396 91.5 152.8 86.5 -3.8 5.8 -14.0 15.0 34 39 A R < - 0 0 16 -3,-1.8 54,-0.3 -6,-0.3 -1,-0.3 -0.361 33.9-144.9 -65.3 135.1 5.4 -13.0 18.6 35 40 A G - 0 0 7 52,-2.6 52,-0.1 1,-0.1 -4,-0.1 -0.577 33.1 -83.8 -89.7 161.6 4.2 -15.7 21.0 36 41 A P - 0 0 67 0, 0.0 94,-2.7 0, 0.0 95,-0.5 -0.358 36.3-151.9 -68.9 145.1 1.9 -15.0 24.0 37 42 A S B > -I 129 0B 0 92,-0.3 4,-1.8 93,-0.1 3,-0.5 -0.625 37.8 -98.7 -98.2 170.6 3.1 -13.7 27.3 38 43 A I H > S+ 0 0 15 90,-2.5 4,-2.1 1,-0.2 5,-0.1 0.804 126.2 56.6 -57.5 -27.0 1.4 -14.2 30.7 39 44 A W H > S+ 0 0 3 89,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.824 99.6 56.1 -78.0 -30.9 -0.1 -10.7 30.1 40 45 A D H > S+ 0 0 13 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.969 112.5 43.5 -59.6 -48.7 -1.7 -11.6 26.8 41 46 A A H < S+ 0 0 42 -4,-1.8 4,-0.5 1,-0.2 -2,-0.2 0.929 116.5 46.9 -62.6 -46.7 -3.5 -14.5 28.5 42 47 A F H >< S+ 0 0 14 -4,-2.1 3,-1.4 1,-0.2 6,-0.2 0.941 112.5 48.2 -60.9 -47.5 -4.5 -12.4 31.5 43 48 A A H 3< S+ 0 0 1 -4,-3.0 6,-0.3 1,-0.3 -1,-0.2 0.774 106.1 58.3 -70.7 -23.9 -5.7 -9.4 29.5 44 49 A H T 3< S+ 0 0 98 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.539 83.9 96.8 -83.2 -7.1 -7.9 -11.6 27.2 45 50 A T S X S- 0 0 67 -3,-1.4 3,-2.0 -4,-0.5 4,-0.4 -0.742 87.6-110.4 -83.0 120.7 -9.8 -12.9 30.2 46 51 A P T 3 S+ 0 0 103 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.206 99.9 18.9 -51.6 135.4 -13.1 -11.0 30.6 47 52 A G T 3 S+ 0 0 64 2,-0.3 4,-0.1 -4,-0.1 -4,-0.1 0.189 96.4 100.0 91.5 -16.4 -13.2 -8.8 33.7 48 53 A N S < S+ 0 0 30 -3,-2.0 2,-0.3 -6,-0.2 -5,-0.1 0.872 84.6 32.0 -72.9 -35.4 -9.4 -8.8 34.2 49 54 A V S > S- 0 0 5 -4,-0.4 3,-2.5 -6,-0.3 -2,-0.3 -0.914 100.6 -85.1-122.7 146.5 -8.7 -5.3 32.7 50 55 A A G > S+ 0 0 36 387,-2.5 3,-1.7 -2,-0.3 390,-0.3 -0.226 116.3 1.8 -45.9 129.1 -10.8 -2.2 32.6 51 56 A G G 3 S- 0 0 67 1,-0.3 -1,-0.3 388,-0.1 3,-0.1 0.637 119.1 -82.8 64.6 14.9 -13.2 -2.3 29.6 52 57 A N G < S+ 0 0 86 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.811 85.8 161.3 53.4 33.8 -11.9 -5.8 28.8 53 58 A Q < + 0 0 92 -3,-1.7 2,-0.3 384,-0.1 -1,-0.2 -0.306 16.6 179.7 -81.5 165.5 -9.0 -4.0 27.0 54 59 A N - 0 0 32 -3,-0.1 4,-0.5 -10,-0.1 3,-0.4 -0.910 41.0 -99.9-154.1 178.9 -5.7 -5.5 26.1 55 60 A G S S+ 0 0 1 -2,-0.3 -28,-0.3 1,-0.2 -26,-0.2 0.114 75.5 119.4 -96.5 22.0 -2.4 -4.7 24.4 56 61 A D S S+ 0 0 57 1,-0.2 -27,-1.8 -28,-0.1 -28,-0.6 0.890 101.0 1.0 -55.1 -43.0 -3.2 -6.3 21.0 57 62 A V S > S+ 0 0 52 -3,-0.4 3,-2.3 -30,-0.3 4,-0.2 0.693 86.5 160.3-112.4 -40.6 -2.7 -2.9 19.3 58 63 A A T 3 S- 0 0 4 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.272 81.3 -26.7 50.4-126.4 -1.7 -0.6 22.1 59 64 A T T 3 S- 0 0 0 -34,-0.5 -1,-0.3 -35,-0.1 -33,-0.1 0.440 81.4-126.8 -96.1 -0.4 -0.0 2.5 20.5 60 65 A D X> + 0 0 0 -3,-2.3 4,-1.9 -35,-0.1 3,-1.3 0.835 53.0 156.1 57.1 35.2 1.1 0.4 17.5 61 66 A Q H 3> + 0 0 4 -36,-2.3 4,-1.2 1,-0.3 -35,-0.2 0.840 62.5 74.7 -59.0 -26.5 4.7 1.6 18.1 62 67 A Y H 34 S+ 0 0 22 -36,-2.1 -1,-0.3 -37,-0.3 3,-0.1 0.872 110.1 26.9 -52.6 -39.7 5.7 -1.5 16.2 63 68 A H H <4 S+ 0 0 21 -3,-1.3 3,-0.3 -37,-0.3 -1,-0.2 0.794 128.9 43.3 -90.2 -28.3 4.6 0.2 12.9 64 69 A R H >X S+ 0 0 2 -4,-1.9 4,-2.0 1,-0.2 3,-0.8 0.145 70.6 120.1-106.5 15.0 5.2 3.9 14.0 65 70 A Y H 3X S+ 0 0 30 -4,-1.2 4,-2.7 1,-0.3 5,-0.2 0.833 74.2 54.8 -62.1 -31.0 8.5 3.7 15.8 66 71 A K H 3> S+ 0 0 42 858,-0.4 4,-2.4 -3,-0.3 -1,-0.3 0.879 107.7 51.0 -68.2 -35.4 10.2 6.1 13.4 67 72 A E H <> S+ 0 0 21 -3,-0.8 4,-2.3 858,-0.3 -2,-0.2 0.945 112.4 46.3 -58.7 -48.0 7.5 8.7 14.2 68 73 A D H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.893 112.4 49.1 -69.1 -36.5 8.0 8.2 17.9 69 74 A V H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.928 110.3 52.0 -67.4 -42.3 11.8 8.4 17.7 70 75 A N H X S+ 0 0 39 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.911 110.3 50.3 -55.8 -42.5 11.5 11.6 15.6 71 76 A L H X S+ 0 0 25 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.933 108.6 49.1 -63.9 -47.1 9.2 13.0 18.3 72 77 A M H <>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 -1,-0.2 0.896 112.1 49.5 -64.9 -33.7 11.6 12.2 21.2 73 78 A K H ><5S+ 0 0 90 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.920 107.7 53.8 -67.1 -43.0 14.5 13.8 19.3 74 79 A S H 3<5S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.753 105.2 55.5 -62.0 -24.2 12.4 16.9 18.6 75 80 A L T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -3,-0.2 394,-0.2 0.312 117.6-114.4 -93.1 7.2 11.7 17.2 22.3 76 81 A N T < 5 + 0 0 40 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.623 59.4 155.3 74.1 19.0 15.5 17.2 23.1 77 82 A F < - 0 0 7 -5,-1.9 -1,-0.2 1,-0.1 -60,-0.2 -0.413 34.6-154.8 -74.0 156.2 15.8 13.9 24.9 78 83 A D + 0 0 34 -62,-3.0 40,-2.9 1,-0.2 2,-0.3 0.601 69.9 19.9-100.0 -21.8 19.1 12.1 25.0 79 84 A A E -bc 17 118A 0 -63,-1.2 -61,-1.1 38,-0.3 2,-0.4 -0.960 56.8-143.0-152.5 159.3 17.9 8.6 25.5 80 85 A Y E -bc 18 119A 1 38,-2.5 40,-2.8 -2,-0.3 2,-0.6 -0.989 10.6-154.9-134.6 122.9 15.0 6.1 25.3 81 86 A R E +bc 19 120A 0 -63,-2.9 -61,-2.1 -2,-0.4 2,-0.3 -0.881 32.7 150.1 -96.5 120.1 14.3 3.4 27.8 82 87 A F E - c 0 121A 5 38,-2.1 40,-2.7 -2,-0.6 2,-0.3 -0.898 34.8-122.2-139.0 171.2 12.3 0.5 26.2 83 88 A S E - c 0 122A 1 -2,-0.3 2,-0.5 38,-0.2 40,-0.2 -0.858 11.3-129.8-120.5 153.8 12.0 -3.2 26.7 84 89 A I - 0 0 0 38,-2.4 2,-0.7 -2,-0.3 41,-0.2 -0.881 27.4-127.0 -92.6 129.1 12.5 -6.2 24.5 85 90 A S >> - 0 0 0 -2,-0.5 3,-1.3 1,-0.2 4,-1.3 -0.688 12.6-152.3 -78.9 114.5 9.6 -8.7 24.5 86 91 A W H >> S+ 0 0 0 -2,-0.7 4,-3.2 1,-0.3 3,-0.6 0.896 96.2 50.0 -52.2 -45.8 11.0 -12.1 25.4 87 92 A S H 34 S+ 0 0 0 40,-0.5 -52,-2.6 1,-0.2 -1,-0.3 0.604 102.7 60.7 -76.6 -11.9 8.2 -13.8 23.5 88 93 A R H <4 S+ 0 0 1 -3,-1.3 13,-0.4 -54,-0.3 -1,-0.2 0.799 116.2 33.3 -74.9 -32.3 8.7 -11.7 20.5 89 94 A I H << S+ 0 0 0 -4,-1.3 9,-3.1 -3,-0.6 -2,-0.2 0.893 137.0 22.1 -84.9 -49.7 12.3 -13.0 20.2 90 95 A F S >< S- 0 0 19 -4,-3.2 3,-2.2 7,-0.2 -1,-0.3 -0.892 70.1-165.2-120.4 94.6 11.6 -16.6 21.5 91 96 A P T 3 S+ 0 0 9 0, 0.0 40,-0.4 0, 0.0 39,-0.2 0.814 95.0 36.0 -52.0 -33.6 7.9 -17.4 21.0 92 97 A D T 3 S- 0 0 76 2,-0.4 -5,-0.1 4,-0.4 3,-0.1 0.295 115.9-112.7 -98.2 5.3 8.2 -20.4 23.4 93 98 A G S < S+ 0 0 3 -3,-2.2 2,-0.3 -7,-0.2 58,-0.1 0.293 96.3 38.2 83.2 -13.4 10.7 -18.6 25.7 94 99 A E S S+ 0 0 55 2,-0.1 2,-0.6 56,-0.1 -2,-0.4 -0.941 103.9 21.0-155.4 161.2 13.5 -21.1 24.7 95 100 A G S S+ 0 0 64 -2,-0.3 2,-0.1 -4,-0.1 -2,-0.0 -0.626 95.8 55.8 85.1-119.0 14.5 -22.8 21.4 96 101 A R - 0 0 143 -2,-0.6 2,-0.4 1,-0.1 -4,-0.4 -0.289 69.4-139.8 -67.8 132.2 13.4 -21.3 18.1 97 102 A V - 0 0 37 -7,-0.2 2,-1.0 -6,-0.1 -7,-0.2 -0.754 9.0-137.0 -89.2 132.2 14.3 -17.6 17.4 98 103 A N >> - 0 0 14 -9,-3.1 4,-1.9 -2,-0.4 3,-0.7 -0.802 16.6-166.6 -89.0 100.5 11.6 -15.5 15.6 99 104 A Q H 3> S+ 0 0 126 -2,-1.0 4,-2.3 1,-0.3 -1,-0.2 0.811 84.5 59.5 -64.0 -29.9 13.8 -13.6 13.1 100 105 A E H 3> S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.893 105.9 49.2 -63.2 -38.8 11.0 -11.1 12.4 101 106 A G H <> S+ 0 0 0 -3,-0.7 4,-1.9 -13,-0.4 -2,-0.2 0.916 109.5 51.4 -65.1 -44.3 11.1 -10.1 16.1 102 107 A V H X S+ 0 0 7 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.910 107.5 53.8 -56.6 -43.7 14.9 -9.7 16.0 103 108 A A H X S+ 0 0 42 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.869 104.0 56.0 -62.4 -38.4 14.6 -7.5 12.9 104 109 A Y H X S+ 0 0 8 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.964 110.4 43.1 -59.2 -51.3 12.1 -5.2 14.7 105 110 A Y H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.880 112.9 53.2 -68.1 -32.9 14.5 -4.5 17.6 106 111 A N H X S+ 0 0 38 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.942 110.9 47.2 -60.2 -45.4 17.4 -4.1 15.2 107 112 A N H X S+ 0 0 79 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.902 114.3 46.3 -61.8 -44.3 15.4 -1.6 13.2 108 113 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.942 115.1 46.0 -63.0 -50.6 14.4 0.3 16.4 109 114 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.925 113.9 48.8 -58.5 -47.1 18.0 0.3 17.8 110 115 A N H X S+ 0 0 70 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.900 112.0 48.2 -63.1 -39.5 19.5 1.4 14.5 111 116 A Y H X S+ 0 0 24 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.911 109.4 53.1 -70.1 -41.1 17.0 4.2 14.0 112 117 A L H <>S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 3,-0.3 0.956 112.3 44.6 -52.7 -51.2 17.6 5.5 17.6 113 118 A L H ><5S+ 0 0 72 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.881 109.2 56.4 -64.7 -37.3 21.3 5.6 17.1 114 119 A Q H 3<5S+ 0 0 142 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.868 110.9 45.5 -58.9 -37.2 20.8 7.2 13.6 115 120 A K T 3<5S- 0 0 51 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.319 120.4-108.2 -92.3 6.0 18.9 10.0 15.4 116 121 A G T < 5S+ 0 0 52 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.737 73.7 136.3 75.5 26.2 21.3 10.4 18.2 117 122 A I < - 0 0 3 -5,-2.9 -38,-0.3 -6,-0.2 -1,-0.2 -0.916 51.8-131.5-108.2 125.0 19.1 8.8 20.9 118 123 A T E -c 79 0A 53 -40,-2.9 -38,-2.5 -2,-0.5 2,-0.4 -0.613 18.6-132.7 -78.4 124.9 20.9 6.4 23.3 119 124 A P E -c 80 0A 3 0, 0.0 2,-0.6 0, 0.0 46,-0.5 -0.644 18.4-171.7 -77.3 129.0 19.0 3.1 23.8 120 125 A Y E -cd 81 165A 18 -40,-2.8 -38,-2.1 -2,-0.4 2,-0.6 -0.982 20.9-159.7-115.0 112.8 18.6 1.9 27.4 121 126 A V E -cd 82 166A 0 44,-2.5 46,-2.3 -2,-0.6 2,-0.4 -0.874 14.7-160.7-115.9 121.1 17.2 -1.6 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