==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 02-NOV-06 2NRJ . COMPND 2 MOLECULE: HBL B PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR M.MADEGOWDA,S.ESWARAMOORTHY,S.K.BURLEY,S.SWAMINATHAN,NEW . 338 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 82.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.1 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 . 1 0.3 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 . 10 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 1 1 0 0 3 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 L 0 0 24 0, 0.0 5,-0.0 0, 0.0 290,-0.0 0.000 360.0 360.0 360.0 105.0 7.6 30.7 79.8 2 3 A S > - 0 0 55 1,-0.1 4,-0.9 3,-0.0 293,-0.0 -0.106 360.0-110.9 -67.4 164.2 6.6 34.3 78.7 3 4 A E T 4 S+ 0 0 141 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.878 120.3 51.6 -61.9 -39.0 3.1 35.5 77.6 4 5 A I T >4 S+ 0 0 131 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.888 105.8 53.4 -66.5 -40.1 4.5 35.9 74.1 5 6 A E T 34 S+ 0 0 70 1,-0.2 -1,-0.2 3,-0.1 -2,-0.2 0.725 103.0 61.6 -67.8 -17.9 5.9 32.4 74.0 6 7 A Q T 3< S+ 0 0 59 -4,-0.9 2,-0.4 -3,-0.4 -1,-0.2 0.503 77.9 101.8 -86.7 -5.3 2.4 31.2 75.0 7 8 A T S < S- 0 0 67 -3,-1.4 2,-2.7 -4,-0.3 299,-0.0 -0.690 86.3-117.2 -81.0 128.6 0.7 32.5 71.8 8 9 A N + 0 0 72 -2,-0.4 2,-0.1 298,-0.1 -1,-0.1 -0.434 56.3 175.8 -64.8 79.9 0.1 29.7 69.3 9 10 A N > - 0 0 79 -2,-2.7 3,-1.5 -4,-0.2 4,-0.2 -0.457 43.2-108.3 -92.4 163.8 2.4 31.5 66.8 10 11 A G G > S+ 0 0 50 1,-0.3 3,-0.6 2,-0.2 274,-0.1 0.729 111.0 61.3 -62.1 -27.6 3.7 30.4 63.4 11 12 A D G 3 S+ 0 0 104 1,-0.2 276,-0.3 276,-0.0 -1,-0.3 0.488 115.1 33.4 -81.6 -0.2 7.3 29.7 64.4 12 13 A T G < S+ 0 0 10 -3,-1.5 -1,-0.2 275,-0.1 -2,-0.2 0.168 85.9 138.4-134.5 13.8 6.2 27.0 66.8 13 14 A A < - 0 0 17 -3,-0.6 275,-0.1 -4,-0.2 274,-0.1 -0.360 47.3-151.5 -64.7 137.4 3.2 25.7 65.0 14 15 A L S S+ 0 0 0 296,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.569 76.6 86.2 -83.5 -9.7 2.8 21.9 64.9 15 16 A S S S- 0 0 20 1,-0.1 2,-0.1 269,-0.0 299,-0.1 -0.557 76.4-131.7 -90.9 154.7 1.0 22.3 61.6 16 17 A A - 0 0 9 -2,-0.2 2,-1.5 298,-0.1 3,-0.1 -0.354 49.3 -80.3 -89.0 177.7 2.6 22.6 58.2 17 18 A N > - 0 0 76 1,-0.2 4,-2.7 -2,-0.1 5,-0.2 -0.709 52.2-168.2 -85.1 92.8 1.5 25.4 55.9 18 19 A E H > S+ 0 0 82 -2,-1.5 4,-2.6 1,-0.2 5,-0.3 0.882 79.0 49.6 -47.2 -56.9 -1.7 23.7 54.7 19 20 A A H > S+ 0 0 71 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.920 115.8 43.7 -52.5 -49.3 -2.6 26.0 51.9 20 21 A R H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.883 113.2 50.8 -66.5 -41.0 0.9 25.8 50.4 21 22 A X H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.890 109.7 50.1 -65.5 -38.9 1.3 22.1 50.8 22 23 A K H X S+ 0 0 81 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.845 108.5 52.6 -68.5 -32.6 -2.1 21.4 49.1 23 24 A E H X S+ 0 0 82 -4,-1.5 4,-2.4 -5,-0.3 -1,-0.2 0.921 109.8 51.4 -64.4 -42.6 -1.0 23.6 46.2 24 25 A T H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.891 109.4 47.3 -60.7 -46.1 2.1 21.5 46.0 25 26 A L H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.967 111.1 51.6 -62.1 -51.5 0.2 18.2 46.0 26 27 A Q H X S+ 0 0 37 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.905 112.5 46.6 -50.5 -46.5 -2.1 19.5 43.3 27 28 A K H X S+ 0 0 74 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.909 106.6 57.1 -63.4 -43.5 0.9 20.5 41.2 28 29 A A H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.842 109.9 47.7 -56.4 -33.5 2.6 17.2 41.8 29 30 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.888 110.3 47.7 -76.2 -41.8 -0.5 15.6 40.3 30 31 A L H X S+ 0 0 15 -4,-2.0 4,-1.9 2,-0.2 164,-0.4 0.932 113.7 51.8 -62.5 -44.4 -0.8 17.8 37.2 31 32 A F H X S+ 0 0 4 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.944 110.0 46.3 -54.5 -56.8 2.9 17.2 36.7 32 33 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.899 108.9 54.6 -57.0 -45.6 2.6 13.4 36.9 33 34 A K H X S+ 0 0 7 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.900 112.9 44.9 -56.5 -40.8 -0.4 13.3 34.5 34 35 A S H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 3,-0.4 0.946 111.8 50.4 -66.9 -51.2 1.8 15.2 32.0 35 36 A X H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.3 -2,-0.2 0.881 108.7 52.9 -56.5 -40.5 4.9 13.1 32.5 36 37 A N H X S+ 0 0 30 -4,-2.8 4,-2.4 2,-0.2 -1,-0.3 0.838 108.4 51.2 -65.0 -33.4 2.9 9.9 32.0 37 38 A A H X S+ 0 0 2 -4,-1.2 4,-2.2 -3,-0.4 -2,-0.2 0.929 112.0 45.1 -70.6 -43.8 1.5 11.3 28.7 38 39 A Y H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.885 115.0 49.3 -66.0 -37.9 4.9 12.2 27.4 39 40 A S H X S+ 0 0 1 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.907 109.1 51.9 -66.9 -44.9 6.3 8.8 28.5 40 41 A Y H X S+ 0 0 33 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.942 113.1 44.6 -56.0 -51.4 3.4 6.9 26.9 41 42 A X H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.903 110.7 52.9 -62.1 -45.7 3.9 8.6 23.6 42 43 A L H < S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.904 116.5 38.4 -59.4 -43.2 7.7 8.2 23.5 43 44 A I H < S+ 0 0 104 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.736 120.9 46.5 -80.8 -21.8 7.6 4.5 24.2 44 45 A K H < S+ 0 0 100 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.795 90.5 93.2 -90.8 -31.9 4.5 4.0 21.9 45 46 A N S < S- 0 0 3 -4,-2.9 172,-0.1 -5,-0.2 3,-0.1 -0.269 86.3 -84.9 -67.2 151.5 5.5 5.9 18.8 46 47 A P - 0 0 41 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.091 42.5-104.8 -53.7 145.1 7.3 4.3 15.8 47 48 A D - 0 0 117 1,-0.1 19,-0.1 23,-0.0 202,-0.0 -0.616 47.6-105.7 -72.1 126.5 11.0 3.9 15.7 48 49 A V - 0 0 16 -2,-0.4 2,-0.4 17,-0.1 -1,-0.1 -0.291 41.1-163.1 -55.8 136.7 12.3 6.6 13.3 49 50 A N + 0 0 79 1,-0.1 3,-0.2 -3,-0.0 -1,-0.1 -0.965 22.7 179.1-132.2 118.9 13.2 5.0 9.9 50 51 A F + 0 0 28 -2,-0.4 3,-0.4 1,-0.2 5,-0.1 -0.075 41.3 125.2-106.1 33.7 15.4 6.6 7.2 51 52 A E S S+ 0 0 169 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.959 87.4 14.0 -57.2 -60.1 15.4 3.7 4.7 52 53 A G S S+ 0 0 58 -3,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.138 99.1 119.5-105.9 22.2 14.2 5.5 1.6 53 54 A I - 0 0 29 -3,-0.4 2,-0.5 189,-0.0 -3,-0.0 -0.687 59.7-133.5 -90.9 138.3 14.6 9.0 2.7 54 55 A T - 0 0 74 -2,-0.3 119,-0.1 1,-0.1 -2,-0.1 -0.789 20.7-178.1 -89.7 125.8 16.9 11.5 0.9 55 56 A I > - 0 0 17 -2,-0.5 3,-2.1 -5,-0.1 6,-0.1 0.212 35.9-127.3-110.0 14.8 19.1 13.4 3.3 56 57 A N T 3 S- 0 0 74 1,-0.3 -2,-0.1 2,-0.1 3,-0.0 0.835 74.7 -44.3 42.1 48.1 20.9 15.6 0.7 57 58 A G T 3 S+ 0 0 68 1,-0.1 2,-1.2 2,-0.0 -1,-0.3 0.366 107.3 115.9 87.2 -7.5 24.4 14.7 1.9 58 59 A Y X + 0 0 106 -3,-2.1 3,-2.1 1,-0.2 -1,-0.1 -0.393 34.9 163.9 -92.0 57.1 23.9 14.9 5.7 59 60 A V T 3 + 0 0 125 -2,-1.2 4,-0.4 1,-0.3 -1,-0.2 0.593 66.6 58.2 -52.2 -16.6 24.6 11.2 6.0 60 61 A D T 3> S+ 0 0 89 -3,-0.2 4,-1.9 1,-0.1 -1,-0.3 0.729 85.8 79.9 -87.9 -22.3 25.2 11.5 9.7 61 62 A L H <> S+ 0 0 1 -3,-2.1 4,-2.9 1,-0.2 5,-0.3 0.864 86.1 55.5 -53.7 -46.4 21.8 12.9 10.5 62 63 A P H > S+ 0 0 29 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.942 109.1 48.5 -54.8 -46.7 19.8 9.6 10.4 63 64 A G H > S+ 0 0 50 -4,-0.4 4,-2.0 -3,-0.3 -2,-0.2 0.916 112.6 49.1 -58.6 -44.0 22.2 8.1 13.0 64 65 A R H X S+ 0 0 123 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.950 111.5 46.5 -61.4 -52.7 21.8 11.2 15.2 65 66 A I H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.919 111.1 52.6 -57.9 -45.6 18.0 11.3 15.1 66 67 A V H X S+ 0 0 42 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.915 112.3 45.8 -57.7 -41.4 17.7 7.6 15.8 67 68 A Q H X S+ 0 0 94 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.877 107.7 58.1 -69.0 -36.3 20.0 8.1 18.8 68 69 A D H X S+ 0 0 10 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.942 108.0 46.5 -57.5 -47.1 17.9 11.2 19.8 69 70 A Q H X S+ 0 0 7 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.908 111.8 50.4 -62.1 -42.6 14.8 9.0 20.0 70 71 A K H X S+ 0 0 119 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.869 110.4 50.3 -64.3 -35.9 16.6 6.3 22.0 71 72 A N H X S+ 0 0 43 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.927 111.0 49.4 -66.4 -44.5 17.9 8.9 24.4 72 73 A A H X S+ 0 0 2 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.927 111.0 48.8 -60.3 -47.7 14.3 10.3 24.8 73 74 A R H X S+ 0 0 45 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.892 107.7 54.0 -60.6 -43.1 12.8 6.8 25.5 74 75 A A H X S+ 0 0 54 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.879 108.5 51.4 -59.8 -36.8 15.5 5.9 28.0 75 76 A H H X S+ 0 0 11 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.893 106.3 52.7 -67.8 -39.2 14.5 9.2 29.9 76 77 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.863 108.7 51.3 -64.0 -35.2 10.8 8.3 29.9 77 78 A V H X S+ 0 0 68 -4,-1.9 4,-3.2 2,-0.2 5,-0.4 0.903 104.0 56.8 -68.5 -39.7 11.7 4.9 31.4 78 79 A T H X>S+ 0 0 49 -4,-1.8 5,-2.2 1,-0.2 4,-1.8 0.862 111.2 44.6 -58.2 -37.7 13.7 6.6 34.1 79 80 A W H <>S+ 0 0 2 -4,-1.5 5,-2.9 3,-0.2 6,-0.3 0.959 114.3 48.4 -69.4 -52.9 10.6 8.6 35.0 80 81 A D H <5S+ 0 0 38 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.861 126.9 24.3 -56.5 -41.4 8.3 5.5 34.8 81 82 A T H <5S+ 0 0 71 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.629 135.8 17.2-104.2 -15.7 10.5 3.3 37.0 82 83 A K T X5S+ 0 0 121 -4,-1.8 4,-1.8 -5,-0.4 -3,-0.2 0.693 123.1 38.5-119.9 -65.5 12.6 5.6 39.1 83 84 A V H > S+ 0 0 116 -6,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.898 108.5 51.2 -57.0 -45.8 8.4 5.9 42.5 86 87 A Q H X S+ 0 0 34 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.911 108.7 51.7 -59.7 -43.6 10.4 8.5 44.4 87 88 A L H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.938 111.7 47.8 -58.7 -45.7 7.5 11.0 44.1 88 89 A L H X S+ 0 0 26 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.870 109.6 51.4 -63.3 -39.6 5.2 8.3 45.4 89 90 A D H X S+ 0 0 93 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.905 109.5 50.7 -64.9 -41.2 7.5 7.4 48.4 90 91 A T H >X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 3,-0.6 0.906 110.0 49.1 -62.8 -43.0 7.7 11.1 49.4 91 92 A L H 3X S+ 0 0 1 -4,-2.0 4,-1.5 1,-0.3 3,-0.4 0.894 107.8 55.5 -64.2 -37.0 3.9 11.4 49.3 92 93 A N H 3X S+ 0 0 57 -4,-2.0 4,-2.5 1,-0.2 -1,-0.3 0.721 99.0 62.5 -67.3 -21.5 3.7 8.3 51.4 93 94 A G H S+ 0 0 85 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.858 110.2 52.2 -63.5 -35.7 -1.6 10.7 74.6 108 109 A X H X S+ 0 0 7 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.884 108.3 49.5 -69.3 -39.8 -0.4 14.2 73.9 109 110 A V H X S+ 0 0 28 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.920 111.8 49.2 -63.9 -45.0 -3.8 15.7 74.9 110 111 A E H X S+ 0 0 113 -4,-2.1 4,-2.0 1,-0.2 6,-0.2 0.896 109.7 51.8 -60.9 -41.9 -3.7 13.7 78.1 111 112 A A H X>S+ 0 0 1 -4,-2.1 5,-2.2 2,-0.2 4,-1.1 0.905 110.6 48.0 -63.6 -40.7 -0.1 14.8 78.8 112 113 A I H ><5S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.2 192,-0.4 0.951 113.6 48.2 -63.2 -47.7 -1.1 18.4 78.4 113 114 A N H 3<5S+ 0 0 69 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.768 117.3 40.7 -63.7 -28.4 -4.1 17.9 80.7 114 115 A T H 3<5S- 0 0 86 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.485 109.3-113.6-101.7 -2.1 -2.1 16.2 83.4 115 116 A G T <<5 + 0 0 19 -4,-1.1 2,-1.4 -3,-0.7 -3,-0.2 0.812 57.4 159.8 74.4 31.1 1.0 18.3 83.3 116 117 A D >< + 0 0 59 -5,-2.2 4,-1.7 -6,-0.2 3,-0.2 -0.638 9.8 172.1 -89.3 81.2 3.1 15.4 82.0 117 118 A G H > S+ 0 0 15 -2,-1.4 4,-2.6 1,-0.2 5,-0.2 0.875 71.5 57.8 -57.6 -43.4 6.1 17.3 80.6 118 119 A E H > S+ 0 0 139 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 106.3 48.4 -56.8 -45.0 8.3 14.2 79.9 119 120 A T H > S+ 0 0 37 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.924 110.8 52.3 -62.3 -43.5 5.6 12.6 77.6 120 121 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.929 110.8 46.4 -59.1 -47.3 5.2 15.9 75.8 121 122 A K H X S+ 0 0 76 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.891 113.0 49.7 -62.7 -41.0 9.0 16.1 75.1 122 123 A E H X S+ 0 0 120 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.942 111.5 48.4 -63.5 -48.4 9.2 12.5 74.0 123 124 A G H X S+ 0 0 6 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.959 114.7 44.1 -56.6 -54.3 6.3 12.8 71.6 124 125 A I H X S+ 0 0 1 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.909 113.0 51.9 -58.6 -44.4 7.6 16.0 70.0 125 126 A T H X S+ 0 0 50 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.900 110.4 48.9 -59.1 -42.5 11.1 14.6 69.8 126 127 A D H X S+ 0 0 65 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.910 113.2 46.8 -62.8 -44.4 9.8 11.5 68.1 127 128 A L H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 3,-0.3 0.892 107.6 55.5 -65.7 -39.9 7.8 13.6 65.6 128 129 A R H X S+ 0 0 63 -4,-3.0 4,-2.4 1,-0.3 -1,-0.2 0.871 106.3 54.2 -60.2 -34.1 10.8 15.8 65.0 129 130 A G H X S+ 0 0 36 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.3 0.829 108.0 47.7 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