==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-MAY-09 3HMC . COMPND 2 MOLECULE: PUTATIVE PROPHAGE LAMBDABA04, GLYCOSYL HYDROLASE, . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR L.Y.LOW,R.LIDDINGTON . 189 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 18.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 13 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 2 1 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 2 1 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 . 1 0 1 0 0 0 1 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 . 0 0 0 0 0 0 0 0 1 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 2 A S 0 0 160 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.6 25.1 51.8 -4.1 2 3 A H - 0 0 120 1,-0.1 2,-0.2 2,-0.0 22,-0.1 -0.355 360.0-177.2 -64.1 136.6 22.9 50.9 -1.1 3 4 A M - 0 0 132 20,-0.4 -1,-0.1 -2,-0.1 23,-0.1 -0.658 16.8-176.9-135.6 74.9 23.7 47.6 0.5 4 5 A G - 0 0 23 -2,-0.2 2,-0.3 21,-0.1 21,-0.2 -0.294 8.8-154.2 -76.9 160.4 21.0 47.2 3.2 5 6 A H E -a 25 0A 47 19,-1.1 21,-3.1 -2,-0.1 22,-1.5 -0.963 17.0-138.3-135.3 150.6 20.7 44.4 5.8 6 7 A I E -aB 27 176A 10 170,-0.8 170,-2.1 -2,-0.3 2,-0.4 -0.948 37.3-176.4-106.4 113.0 18.0 42.8 7.9 7 8 A I E -aB 28 175A 0 20,-2.4 22,-2.1 -2,-0.7 2,-0.4 -0.920 22.1-154.0-119.1 136.2 19.5 42.3 11.3 8 9 A D E -aB 29 174A 5 166,-1.1 166,-0.8 -2,-0.4 2,-0.3 -0.900 25.3-179.9-104.8 139.0 18.2 40.7 14.5 9 10 A I E +a 30 0A 1 20,-2.1 22,-2.1 -2,-0.4 2,-0.3 -0.886 15.7 174.1-134.9 165.8 19.8 42.0 17.7 10 11 A S > - 0 0 11 -2,-0.3 3,-2.4 20,-0.2 4,-0.2 -0.862 59.8 -70.7-154.5-178.5 19.6 41.4 21.5 11 12 A K G > S+ 0 0 56 1,-0.3 3,-2.0 -2,-0.3 19,-0.0 0.756 121.5 75.6 -57.2 -22.0 21.6 42.7 24.5 12 13 A W G 3 S+ 0 0 189 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.743 84.4 64.5 -62.9 -20.6 24.5 40.6 23.3 13 14 A N G < S- 0 0 32 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.598 92.8-161.3 -78.0 -9.7 25.2 43.2 20.6 14 15 A G < - 0 0 26 -3,-2.0 -1,-0.2 -4,-0.2 2,-0.1 -0.134 47.5 -6.0 62.4-159.8 26.0 45.8 23.3 15 16 A D S S- 0 0 148 1,-0.0 2,-0.4 2,-0.0 27,-0.0 -0.443 72.2-150.7 -70.2 140.2 25.9 49.5 22.5 16 17 A I - 0 0 19 -2,-0.1 2,-1.4 155,-0.0 154,-0.2 -0.915 17.8-134.8-119.0 139.7 25.4 50.4 18.9 17 18 A N > + 0 0 83 152,-2.3 4,-2.3 -2,-0.4 3,-0.4 -0.722 30.3 179.1 -88.8 86.7 26.5 53.4 16.8 18 19 A W H > S+ 0 0 18 -2,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.823 72.4 60.4 -62.0 -34.9 23.2 54.0 15.2 19 20 A S H 4 S+ 0 0 80 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.894 114.0 37.1 -61.2 -38.9 24.3 57.0 13.2 20 21 A I H 4 S+ 0 0 76 -3,-0.4 3,-0.3 1,-0.1 4,-0.2 0.854 117.1 50.4 -80.5 -37.6 26.9 54.9 11.4 21 22 A A H >X S+ 0 0 0 -4,-2.3 3,-2.5 1,-0.2 4,-0.6 0.812 89.2 86.2 -70.8 -30.2 24.8 51.7 11.1 22 23 A K G >< S+ 0 0 78 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.825 85.1 50.6 -36.3 -58.9 21.8 53.5 9.6 23 24 A Q G 34 S+ 0 0 123 -4,-0.4 -20,-0.4 -3,-0.3 -1,-0.3 0.666 112.3 49.6 -61.3 -16.3 22.9 53.4 6.0 24 25 A H G <4 S+ 0 0 40 -3,-2.5 -19,-1.1 -4,-0.2 2,-0.5 0.434 96.2 88.7-101.4 -1.4 23.5 49.6 6.3 25 26 A I E << +a 5 0A 12 -3,-1.9 -19,-0.2 -4,-0.6 3,-0.1 -0.868 32.4 161.4-107.7 125.8 20.1 48.9 7.9 26 27 A D E S- 0 0 41 -21,-3.1 2,-0.3 -2,-0.5 -20,-0.2 0.752 78.4 -7.3-101.4 -37.9 16.9 48.0 6.1 27 28 A F E -a 6 0A 1 -22,-1.5 -20,-2.4 28,-0.1 -1,-0.4 -0.980 58.8-153.7-160.0 146.6 15.1 46.4 9.1 28 29 A I E -ac 7 57A 0 28,-1.5 30,-2.4 -2,-0.3 2,-0.5 -0.961 2.0-165.8-125.3 140.2 15.9 45.4 12.7 29 30 A I E -ac 8 58A 0 -22,-2.1 -20,-2.1 -2,-0.4 2,-0.3 -0.975 21.4-165.7-125.0 113.4 14.2 42.7 14.8 30 31 A A E -ac 9 59A 0 28,-2.5 30,-2.1 -2,-0.5 2,-0.3 -0.799 21.8-110.7-107.4 145.8 15.2 43.1 18.5 31 32 A R E + c 0 60A 22 -22,-2.1 30,-0.2 -2,-0.3 12,-0.2 -0.536 28.1 177.9 -75.6 127.4 14.8 40.8 21.4 32 33 A V E - 0 0 1 28,-2.8 8,-2.1 -2,-0.3 2,-0.3 0.823 65.3 -9.5 -94.0 -40.5 12.2 41.8 24.1 33 34 A Q E -Dc 39 61A 0 27,-0.7 29,-2.2 6,-0.2 2,-0.6 -0.979 47.3-132.4-155.8 164.1 12.5 38.9 26.4 34 35 A D E S- c 0 62A 38 4,-2.5 4,-0.3 1,-0.4 3,-0.2 -0.872 87.2 -44.3-119.9 87.9 14.0 35.4 27.0 35 36 A G S > S- 0 0 2 27,-2.3 3,-0.7 -2,-0.6 -1,-0.4 -0.146 92.0 -61.2 73.6-178.5 10.9 33.7 28.2 36 37 A S T 3 S+ 0 0 13 1,-0.2 -1,-0.2 -3,-0.1 27,-0.0 0.770 132.1 59.8 -71.5 -23.6 8.7 35.4 30.8 37 38 A N T 3 S+ 0 0 163 -3,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.424 97.3 56.8 -90.5 1.5 11.5 35.5 33.4 38 39 A Y < - 0 0 83 -3,-0.7 -4,-2.5 -4,-0.3 2,-0.5 -0.941 60.9-160.8-138.5 116.9 14.1 37.6 31.6 39 40 A V B -D 33 0A 72 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.815 31.7-116.7 -93.1 125.7 13.6 41.1 30.3 40 41 A D - 0 0 5 -8,-2.1 4,-0.5 -2,-0.5 3,-0.4 -0.491 23.6-150.5 -63.7 121.9 16.2 42.1 27.7 41 42 A P S S+ 0 0 82 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.568 88.6 42.5 -72.3 -12.7 18.1 45.0 29.3 42 43 A L S > S+ 0 0 49 -11,-0.1 4,-2.4 2,-0.1 5,-0.2 0.559 87.8 91.0-109.8 -10.8 19.1 46.9 26.1 43 44 A Y H > S+ 0 0 6 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.905 86.2 48.8 -49.7 -54.7 15.8 46.5 24.2 44 45 A K H > S+ 0 0 167 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.893 112.9 48.1 -57.6 -41.1 14.2 49.8 25.4 45 46 A G H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 110.4 52.3 -66.9 -37.6 17.3 51.8 24.7 46 47 A Y H X S+ 0 0 8 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.932 109.9 48.5 -63.1 -45.8 17.6 50.2 21.2 47 48 A V H X S+ 0 0 5 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.919 109.2 52.1 -61.1 -45.3 14.0 51.2 20.4 48 49 A Q H X S+ 0 0 141 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.930 114.0 44.7 -56.9 -45.5 14.4 54.7 21.6 49 50 A A H X S+ 0 0 19 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.909 111.6 51.3 -66.5 -44.2 17.5 55.1 19.3 50 51 A M H <>S+ 0 0 0 -4,-2.9 5,-3.2 1,-0.2 4,-0.3 0.904 110.7 48.8 -62.6 -39.0 15.9 53.4 16.3 51 52 A K H ><5S+ 0 0 92 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.927 110.9 50.7 -65.3 -42.7 12.8 55.7 16.5 52 53 A Q H 3<5S+ 0 0 159 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.855 115.2 43.2 -61.3 -36.2 15.1 58.7 16.8 53 54 A H T 3<5S- 0 0 65 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.323 113.8-115.5 -93.5 6.4 17.1 57.6 13.7 54 55 A G T < 5 + 0 0 52 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.855 60.7 154.0 63.6 36.5 14.0 56.6 11.7 55 56 A I < - 0 0 6 -5,-3.2 -1,-0.2 -6,-0.2 2,-0.1 -0.872 39.7-133.4-101.7 122.5 14.9 52.9 11.6 56 57 A P + 0 0 40 0, 0.0 -28,-1.5 0, 0.0 2,-0.3 -0.463 33.7 174.9 -73.3 144.3 12.0 50.4 11.3 57 58 A F E -c 28 0A 6 28,-0.3 30,-2.3 -30,-0.2 31,-0.3 -0.961 24.1-153.9-149.2 166.1 11.9 47.5 13.6 58 59 A G E -c 29 0A 0 -30,-2.4 -28,-2.5 -2,-0.3 2,-0.3 -0.784 23.2-118.5-130.8 173.4 10.1 44.4 14.8 59 60 A N E -ce 30 89A 0 29,-2.9 31,-2.3 -2,-0.3 2,-0.3 -0.881 21.6-173.9-118.7 147.4 10.2 42.4 18.1 60 61 A Y E -ce 31 90A 22 -30,-2.1 -28,-2.8 -2,-0.3 -27,-0.7 -0.979 5.5-162.3-138.6 152.0 11.1 38.8 18.9 61 62 A A E -ce 33 91A 0 29,-2.2 31,-2.8 -2,-0.3 2,-0.4 -0.996 22.8-126.4-135.7 130.1 10.9 36.8 22.1 62 63 A F E -ce 34 92A 23 -29,-2.2 -27,-2.3 -2,-0.4 2,-0.4 -0.625 36.3-128.6 -73.6 129.5 12.7 33.6 22.9 63 64 A C + 0 0 1 29,-3.0 31,-0.4 -2,-0.4 32,-0.3 -0.678 42.9 155.9 -89.0 133.2 10.0 31.1 23.9 64 65 A R + 0 0 101 -2,-0.4 -1,-0.1 6,-0.1 2,-0.1 0.037 22.3 148.8-140.2 26.0 10.1 29.1 27.1 65 66 A F - 0 0 0 1,-0.1 32,-0.2 6,-0.1 6,-0.1 -0.347 30.4-164.6 -67.8 144.3 6.5 28.2 27.8 66 67 A V + 0 0 91 1,-0.1 2,-0.3 38,-0.1 33,-0.2 0.400 68.9 8.5-109.8 -0.6 5.8 25.0 29.6 67 68 A S S > S- 0 0 46 1,-0.1 4,-2.0 31,-0.1 5,-0.1 -0.961 83.3 -92.4-165.7 171.6 2.0 24.6 28.9 68 69 A I H > S+ 0 0 71 -2,-0.3 4,-1.8 2,-0.2 5,-0.2 0.934 126.0 46.4 -60.5 -47.7 -0.8 26.2 26.9 69 70 A A H > S+ 0 0 71 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.906 112.6 50.3 -61.9 -42.1 -1.7 28.5 29.8 70 71 A D H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.816 105.9 56.9 -67.0 -30.3 1.9 29.4 30.3 71 72 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.894 105.5 50.1 -67.0 -40.7 2.3 30.2 26.6 72 73 A K H X S+ 0 0 95 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.888 110.7 51.0 -64.9 -36.9 -0.5 32.7 26.8 73 74 A K H X S+ 0 0 92 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.924 108.3 50.3 -66.5 -44.1 1.2 34.3 29.8 74 75 A E H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.899 110.6 50.8 -60.9 -38.9 4.5 34.5 27.9 75 76 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.903 109.2 50.6 -64.7 -41.0 2.7 36.2 25.0 76 77 A Q H X S+ 0 0 62 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.915 111.7 47.3 -63.0 -42.8 1.1 38.7 27.4 77 78 A D H X S+ 0 0 20 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.917 112.2 51.1 -63.9 -41.8 4.5 39.5 28.9 78 79 A F H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.943 112.3 45.8 -59.1 -50.6 6.0 39.9 25.4 79 80 A W H < S+ 0 0 43 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.923 114.5 47.1 -60.7 -46.7 3.2 42.2 24.3 80 81 A N H < S+ 0 0 114 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.841 117.3 42.4 -67.3 -32.5 3.4 44.3 27.5 81 82 A R H < S+ 0 0 72 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.722 100.0 87.1 -85.7 -23.8 7.2 44.6 27.4 82 83 A G S < S- 0 0 4 -4,-2.0 2,-0.3 -5,-0.2 -23,-0.0 -0.478 85.4-108.7 -81.3 148.8 7.5 45.2 23.7 83 84 A D > - 0 0 43 -2,-0.2 3,-1.5 1,-0.1 -1,-0.1 -0.583 21.0-138.5 -75.3 133.4 7.3 48.6 22.0 84 85 A K T 3 S+ 0 0 105 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.489 95.0 75.6 -72.6 -2.7 4.0 49.0 20.1 85 86 A S T 3 + 0 0 72 -27,-0.0 -28,-0.3 2,-0.0 -1,-0.3 0.515 69.7 116.2 -84.4 -5.4 5.8 50.7 17.2 86 87 A A < - 0 0 11 -3,-1.5 -28,-0.3 1,-0.1 3,-0.1 -0.342 59.3-151.3 -62.0 143.3 7.1 47.3 16.1 87 88 A T S S+ 0 0 17 -30,-2.3 2,-0.3 1,-0.2 -29,-0.2 0.716 77.4 21.7 -89.3 -24.4 5.8 46.2 12.7 88 89 A V - 0 0 0 -31,-0.3 -29,-2.9 30,-0.1 2,-0.4 -0.970 62.7-148.7-142.2 156.8 6.1 42.5 13.5 89 90 A W E -ef 59 120A 8 30,-1.8 32,-2.7 -2,-0.3 2,-0.4 -0.998 20.1-157.7-127.9 128.4 6.2 40.2 16.6 90 91 A V E -ef 60 121A 0 -31,-2.3 -29,-2.2 -2,-0.4 2,-0.7 -0.914 16.8-146.3-119.6 134.4 8.1 36.9 16.5 91 92 A A E -ef 61 122A 0 30,-2.4 32,-3.0 -2,-0.4 2,-0.8 -0.846 22.2-154.7 -90.3 117.0 7.9 33.7 18.5 92 93 A D E -ef 62 123A 8 -31,-2.8 -29,-3.0 -2,-0.7 2,-0.6 -0.848 13.8-175.1-101.4 102.0 11.5 32.5 18.7 93 94 A V E + f 0 124A 0 30,-2.9 32,-2.7 -2,-0.8 35,-0.1 -0.877 28.9 131.8-104.8 112.8 11.4 28.7 19.2 94 95 A E + 0 0 75 -2,-0.6 2,-0.3 -31,-0.4 -1,-0.1 0.525 62.2 45.9-133.1 -17.2 14.8 26.9 19.7 95 96 A V S S- 0 0 53 -32,-0.3 2,-0.6 33,-0.0 -1,-0.3 -0.976 79.7-110.9-134.5 147.9 14.4 24.6 22.7 96 97 A K + 0 0 128 -2,-0.3 3,-0.1 1,-0.2 -30,-0.0 -0.655 42.6 157.6 -77.8 115.8 11.8 22.1 23.8 97 98 A T S S+ 0 0 36 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.442 70.4 19.4-115.6 -7.1 10.1 23.4 26.9 98 99 A M S S- 0 0 26 1,-0.1 3,-0.3 -31,-0.0 -1,-0.3 -0.967 81.2-111.8-156.5 154.3 6.9 21.4 26.6 99 100 A N S S+ 0 0 132 -2,-0.3 2,-1.0 1,-0.3 3,-0.2 0.891 111.7 47.4 -58.3 -43.5 6.0 18.2 24.8 100 101 A D > + 0 0 74 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 -0.680 64.1 164.2-102.8 79.2 3.7 19.8 22.3 101 102 A M H > S+ 0 0 0 -2,-1.0 4,-2.7 -3,-0.3 5,-0.2 0.825 74.5 58.0 -64.3 -31.5 5.7 22.8 21.1 102 103 A R H > S+ 0 0 74 30,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.939 108.6 45.3 -65.6 -43.5 3.4 23.4 18.1 103 104 A A H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.911 115.0 47.3 -65.8 -42.3 0.4 23.7 20.4 104 105 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.919 112.1 50.3 -65.1 -42.0 2.2 26.0 22.8 105 106 A T H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.909 110.3 49.3 -63.6 -41.5 3.5 28.1 19.9 106 107 A Q H X S+ 0 0 22 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.897 110.3 51.0 -66.2 -37.2 0.1 28.5 18.4 107 108 A A H X S+ 0 0 12 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.921 111.8 48.1 -63.3 -42.7 -1.4 29.5 21.8 108 109 A F H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.944 115.3 44.1 -60.3 -51.4 1.4 32.1 22.1 109 110 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.918 112.3 51.4 -63.0 -45.8 0.8 33.4 18.6 110 111 A D H X S+ 0 0 81 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.855 107.4 54.0 -62.0 -34.9 -3.0 33.5 18.9 111 112 A E H X S+ 0 0 15 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.885 105.9 52.8 -67.9 -37.0 -2.7 35.4 22.2 112 113 A L H X>S+ 0 0 0 -4,-1.6 5,-2.4 2,-0.2 4,-1.2 0.938 110.3 47.7 -62.7 -44.2 -0.6 38.1 20.4 113 114 A Y H ><5S+ 0 0 74 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.925 110.6 52.1 -61.2 -42.7 -3.3 38.4 17.7 114 115 A R H 3<5S+ 0 0 165 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.875 108.3 51.3 -61.2 -37.6 -6.0 38.6 20.4 115 116 A L H 3<5S- 0 0 51 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.715 131.9 -86.8 -73.3 -22.3 -4.0 41.4 22.1 116 117 A G T <<5S+ 0 0 27 -4,-1.2 -3,-0.2 -3,-0.6 -2,-0.1 0.368 74.7 144.7 134.1 -6.7 -3.7 43.4 18.9 117 118 A A < - 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