==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 01-JUN-95 1CIY . COMPND 2 MOLECULE: CRYIA(A); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THURINGIENSIS; . AUTHOR P.GROCHULSKI,M.CYGLER . 577 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 417 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 21.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 41 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 3 0 1 0 0 0 1 0 0 0 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 3 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 . 1 5 3 3 2 1 1 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 2 1 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 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 33 A Y 0 0 202 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.7 38.9 89.9 92.7 2 34 A T > - 0 0 58 1,-0.1 4,-2.0 42,-0.0 3,-0.5 -0.415 360.0 -92.2 -98.1 175.7 35.3 88.8 92.7 3 35 A P H > S+ 0 0 5 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.808 129.5 54.9 -57.6 -27.5 33.1 87.2 95.3 4 36 A I H > S+ 0 0 12 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.855 106.6 47.2 -78.4 -30.6 34.2 83.9 93.6 5 37 A D H > S+ 0 0 26 -3,-0.5 4,-1.0 2,-0.2 -1,-0.2 0.833 115.1 45.9 -77.2 -33.5 38.0 84.7 94.1 6 38 A I H >X S+ 0 0 28 -4,-2.0 4,-2.1 2,-0.2 3,-0.6 0.950 112.5 50.5 -70.1 -55.7 37.5 85.7 97.8 7 39 A S H 3X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.876 108.0 53.0 -52.7 -41.2 35.3 82.7 98.5 8 40 A L H 3X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.847 110.9 45.6 -66.8 -33.9 37.8 80.3 97.0 9 41 A S H X S+ 0 0 26 -4,-1.9 4,-3.4 1,-0.2 3,-0.8 0.957 111.1 50.5 -63.7 -49.7 42.1 78.9 104.6 14 46 A L H 3< S+ 0 0 2 -4,-3.0 -1,-0.2 1,-0.3 215,-0.2 0.663 111.7 49.1 -64.4 -18.9 39.3 76.9 106.2 15 47 A L H 3< S+ 0 0 18 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.662 123.2 28.6 -95.8 -18.3 40.6 73.7 104.9 16 48 A S H << S+ 0 0 36 -4,-1.1 -2,-0.2 -3,-0.8 -3,-0.2 0.704 124.6 40.3-112.6 -25.7 44.2 74.2 106.0 17 49 A E < + 0 0 97 -4,-3.4 2,-1.4 -5,-0.2 -2,-0.1 -0.258 66.3 139.5-118.0 44.4 44.0 76.4 109.1 18 50 A F + 0 0 2 209,-0.4 209,-1.6 -3,-0.1 -4,-0.1 -0.692 35.1 111.1 -93.2 85.7 41.1 75.1 111.0 19 51 A V S S- 0 0 54 -2,-1.4 5,-0.3 207,-0.2 206,-0.1 -0.947 75.3-101.2-150.2 138.7 42.5 75.3 114.6 20 52 A P S S+ 0 0 28 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.343 74.1 92.5 -64.4 141.9 41.3 77.7 117.4 21 53 A G S > S- 0 0 12 1,-0.1 4,-1.7 2,-0.1 -2,-0.1 -0.932 86.3 -73.7 158.5 179.3 43.7 80.6 117.7 22 54 A A H > S+ 0 0 12 -2,-0.3 4,-3.3 2,-0.2 5,-0.5 0.928 121.3 60.1 -71.0 -47.0 44.6 84.2 116.8 23 55 A G H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.883 106.5 46.9 -48.3 -45.1 45.8 83.1 113.3 24 56 A F H > S+ 0 0 6 -5,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.981 114.1 48.9 -61.7 -51.6 42.3 81.8 112.6 25 57 A V H < S+ 0 0 0 -4,-1.7 4,-0.4 1,-0.3 -2,-0.2 0.878 117.1 38.7 -51.9 -51.8 40.8 85.1 114.0 26 58 A L H >X S+ 0 0 34 -4,-3.3 4,-2.2 1,-0.2 3,-0.6 0.756 107.6 68.1 -72.9 -24.9 43.1 87.4 112.0 27 59 A G H 3X S+ 0 0 9 -4,-2.0 4,-1.9 -5,-0.5 5,-0.3 0.948 97.7 50.6 -59.8 -47.2 42.8 85.1 109.0 28 60 A L H 3X>S+ 0 0 0 -4,-1.9 5,-2.3 1,-0.2 4,-1.2 0.700 108.7 54.2 -64.0 -18.8 39.2 86.0 108.7 29 61 A V H <4>S+ 0 0 25 -3,-0.6 5,-2.8 -4,-0.4 -2,-0.2 0.920 108.8 45.6 -81.7 -41.6 40.2 89.7 108.7 30 62 A D H <5S+ 0 0 135 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.821 120.4 38.9 -69.6 -29.8 42.8 89.4 105.9 31 63 A I H <5S- 0 0 36 -4,-1.9 -1,-0.2 -5,-0.2 -3,-0.2 0.926 137.7 -13.4 -86.9 -49.7 40.5 87.4 103.6 32 64 A I T <5S+ 0 0 2 -4,-1.2 3,-0.3 -5,-0.3 -3,-0.2 0.749 125.9 44.8-119.1 -62.0 37.0 88.9 104.1 33 65 A W T > S- 0 0 20 -2,-0.5 3,-0.6 1,-0.1 4,-0.5 0.005 80.5 -95.1 115.5 146.4 33.4 100.1 102.1 38 70 A P H >> S+ 0 0 52 0, 0.0 4,-3.2 0, 0.0 3,-0.7 0.774 98.0 96.4 -58.5 -33.5 30.2 98.7 100.5 39 71 A S H 3> S+ 0 0 89 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.767 86.0 39.0 -25.0 -65.8 32.1 98.0 97.4 40 72 A Q H <> S+ 0 0 32 -3,-0.6 4,-2.0 1,-0.2 -1,-0.3 0.885 118.4 49.3 -61.3 -40.5 32.9 94.3 98.1 41 73 A W H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 3,-0.8 0.892 110.5 52.3 -65.6 -45.4 25.1 90.8 96.1 46 78 A V H 3X S+ 0 0 48 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.904 99.0 65.7 -59.3 -41.3 25.3 91.7 92.3 47 79 A Q H 3< S+ 0 0 53 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.782 115.4 27.9 -53.1 -32.9 26.9 88.3 91.6 48 80 A I H XX S+ 0 0 3 -3,-0.8 4,-2.4 -4,-0.6 3,-1.3 0.769 114.8 61.6 -98.9 -33.9 23.7 86.5 92.6 49 81 A E H 3X>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.3 4,-1.0 0.939 106.5 46.9 -56.6 -46.7 21.2 89.2 91.8 50 82 A Q H 3<5S+ 0 0 126 -4,-2.6 -1,-0.3 3,-0.2 -2,-0.1 0.437 112.6 51.9 -78.3 2.8 22.2 89.1 88.1 51 83 A L H <45S+ 0 0 12 -3,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.802 119.4 29.4-104.2 -47.0 22.0 85.3 88.1 52 84 A I H <5S- 0 0 16 -4,-2.4 -2,-0.2 2,-0.1 -3,-0.1 0.495 110.8-120.7 -88.2 -4.7 18.6 84.7 89.5 53 85 A N T <5S+ 0 0 111 -4,-1.0 2,-0.3 -5,-0.3 -3,-0.2 0.976 70.4 127.0 64.9 55.2 17.5 88.0 88.0 54 86 A Q < - 0 0 46 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.2 -0.780 41.9-164.3-147.1 99.7 16.5 89.6 91.2 55 87 A R - 0 0 114 -2,-0.3 2,-0.2 -3,-0.1 3,-0.1 -0.705 33.2-115.5 -80.1 134.7 17.7 92.9 92.4 56 88 A I - 0 0 0 -2,-0.4 5,-0.1 1,-0.1 -1,-0.1 -0.502 39.8 -92.2 -70.6 137.6 17.0 93.3 96.1 57 89 A E > - 0 0 86 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.247 41.8-114.2 -51.2 138.1 14.6 96.2 96.9 58 90 A E H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.834 109.1 47.2 -42.4 -57.8 16.6 99.4 97.5 59 91 A F H > S+ 0 0 144 2,-0.2 4,-2.8 1,-0.2 3,-0.3 0.977 118.8 40.5 -53.8 -60.2 15.9 100.0 101.2 60 92 A A H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.852 113.6 56.4 -57.6 -38.7 16.6 96.4 102.2 61 93 A R H X S+ 0 0 9 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.899 112.3 40.4 -62.4 -42.1 19.5 96.3 99.9 62 94 A N H X S+ 0 0 92 -4,-2.6 4,-2.5 -3,-0.3 -2,-0.2 0.923 112.6 53.5 -72.7 -45.4 21.2 99.3 101.6 63 95 A Q H X S+ 0 0 62 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.913 109.7 50.9 -54.7 -41.2 20.3 98.3 105.1 64 96 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.904 111.5 45.7 -66.0 -41.6 22.0 94.9 104.3 65 97 A I H X S+ 0 0 9 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.845 111.2 54.2 -70.7 -33.0 25.1 96.5 103.0 66 98 A S H X S+ 0 0 72 -4,-2.5 4,-2.0 2,-0.2 3,-0.3 0.939 106.6 49.4 -65.9 -49.4 25.2 98.9 106.0 67 99 A R H X S+ 0 0 92 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.899 107.7 57.2 -58.5 -35.2 25.0 96.1 108.6 68 100 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.896 106.7 46.9 -64.6 -36.8 27.8 94.4 106.7 69 101 A E H X S+ 0 0 63 -4,-1.5 4,-2.3 -3,-0.3 -1,-0.2 0.831 111.8 52.8 -70.4 -34.0 30.0 97.5 107.2 70 102 A G H X S+ 0 0 39 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.960 110.7 45.1 -64.9 -48.8 29.0 97.5 110.8 71 103 A L H X S+ 0 0 2 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.854 111.8 56.0 -64.7 -31.9 30.0 93.9 111.3 72 104 A S H X S+ 0 0 1 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.961 108.6 42.8 -66.9 -50.2 33.2 94.7 109.5 73 105 A N H X S+ 0 0 92 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.917 116.5 49.1 -60.1 -46.7 34.4 97.6 111.7 74 106 A L H >X S+ 0 0 28 -4,-2.2 4,-2.8 1,-0.2 3,-1.1 0.942 108.0 51.3 -60.3 -50.1 33.5 95.7 114.9 75 107 A Y H 3X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.3 -1,-0.2 0.790 106.4 57.2 -59.8 -27.6 35.2 92.4 114.0 76 108 A Q H 3X S+ 0 0 71 -4,-1.2 4,-1.3 -5,-0.2 -1,-0.3 0.845 108.1 45.9 -71.5 -30.6 38.2 94.5 113.3 77 109 A I H < S+ 0 0 0 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.926 103.7 56.3 -62.0 -50.5 45.1 89.3 124.7 86 118 A E H 3< S+ 0 0 85 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.800 107.6 53.0 -53.3 -28.2 46.6 86.0 123.5 87 119 A A H 3< S+ 0 0 83 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.812 127.9 17.5 -77.0 -33.3 49.9 87.7 123.9 88 120 A D S X< S+ 0 0 70 -4,-1.1 3,-1.4 -3,-0.8 -1,-0.2 -0.492 76.0 167.1-140.1 63.8 49.3 88.7 127.6 89 121 A P T 3 S+ 0 0 39 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.360 73.8 54.8 -61.2 -4.8 46.4 86.4 128.5 90 122 A T T 3 S+ 0 0 109 -5,-0.1 -4,-0.1 60,-0.0 -5,-0.1 0.681 73.8 109.2-103.4 -26.0 46.8 87.1 132.2 91 123 A N <> - 0 0 52 -3,-1.4 4,-2.5 1,-0.2 3,-0.3 -0.356 63.4-149.4 -57.2 105.8 46.5 90.9 132.0 92 124 A P H > S+ 0 0 93 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.685 94.4 58.5 -51.7 -26.9 43.1 91.5 133.6 93 125 A A H >> S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 3,-1.0 0.979 107.5 43.2 -69.4 -56.6 42.6 94.5 131.4 94 126 A L H 3> S+ 0 0 32 1,-0.3 4,-2.4 -3,-0.3 5,-0.2 0.902 113.2 55.0 -56.9 -39.0 43.0 92.6 128.2 95 127 A R H 3X S+ 0 0 76 -4,-2.5 4,-0.9 1,-0.2 -1,-0.3 0.772 109.6 45.1 -68.1 -25.9 40.8 89.9 129.6 96 128 A E H X S+ 0 0 75 -4,-2.5 4,-3.0 1,-0.2 3,-1.5 0.993 104.9 52.1 -59.5 -56.9 38.3 94.0 127.0 98 130 A M H 3X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.3 -1,-0.2 0.808 109.4 49.2 -48.3 -38.4 37.8 90.6 125.2 99 131 A R H 3X S+ 0 0 72 -4,-0.9 4,-1.4 51,-0.3 -1,-0.3 0.789 114.3 47.3 -72.2 -29.7 34.6 90.0 127.3 100 132 A I H X S+ 0 0 26 -4,-2.3 4,-2.8 -3,-0.2 3,-0.5 0.934 110.6 47.1 -67.0 -42.7 25.8 92.7 116.4 109 141 A L H 3X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.870 107.1 55.6 -65.5 -38.6 25.7 89.2 114.7 110 142 A T H 3< S+ 0 0 77 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.777 117.5 36.8 -67.3 -21.8 22.5 88.2 116.3 111 143 A T H < S+ 0 0 2 -4,-2.8 3,-1.8 1,-0.2 4,-0.4 0.967 99.5 69.0 -64.4 -49.7 22.5 91.8 111.5 113 145 A I G >< S+ 0 0 11 -4,-1.7 3,-2.4 1,-0.3 -1,-0.2 0.790 94.5 48.8 -41.0 -57.9 21.6 88.2 110.5 114 146 A P G >4 S+ 0 0 74 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 0.843 105.6 61.5 -58.6 -24.3 17.9 88.4 110.2 115 147 A L G << S+ 0 0 39 -3,-1.8 3,-0.4 -4,-0.6 -2,-0.2 0.572 99.8 55.7 -76.1 -5.6 18.4 91.5 108.0 116 148 A L G < S+ 0 0 0 -3,-2.4 -1,-0.3 -4,-0.4 13,-0.2 0.073 105.0 53.6-106.9 19.2 20.3 89.3 105.6 117 149 A A S < S+ 0 0 25 -3,-1.6 5,-0.2 12,-0.1 -1,-0.2 -0.142 78.6 168.1-144.4 33.8 17.3 87.0 105.3 118 150 A V > - 0 0 34 -3,-0.4 3,-2.0 3,-0.2 4,-0.3 -0.264 47.6 -89.2 -54.3 138.3 14.7 89.6 104.4 119 151 A Q T 3 S+ 0 0 133 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 -0.209 110.1 6.4 -54.7 132.1 11.4 88.2 103.1 120 152 A N T 3 S+ 0 0 102 -3,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.168 122.9 69.6 77.7 -12.6 11.3 87.6 99.4 121 153 A Y <> + 0 0 58 -3,-2.0 4,-1.5 1,-0.1 5,-0.2 0.154 59.1 116.2-119.2 21.6 15.0 88.4 99.0 122 154 A Q H > S+ 0 0 15 -4,-0.3 4,-1.0 -5,-0.2 7,-0.2 0.870 73.2 51.9 -57.8 -42.5 16.4 85.4 100.7 123 155 A V H >4 S+ 0 0 0 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.964 109.9 42.7 -65.8 -55.0 18.1 84.0 97.7 124 156 A P H 34 S+ 0 0 0 0, 0.0 3,-0.4 0, 0.0 -76,-0.2 0.777 114.9 52.0 -63.5 -24.9 20.2 87.0 96.5 125 157 A L H >X S+ 0 0 0 -4,-1.5 3,-2.0 1,-0.2 4,-1.8 0.757 85.3 100.5 -79.2 -19.9 21.3 87.8 100.1 126 158 A L H S+ 0 0 2 -3,-0.4 4,-1.0 -4,-0.2 -1,-0.3 0.793 114.6 49.7 -78.7 -21.3 26.2 84.5 100.0 128 160 A V H <> S+ 0 0 0 -3,-2.0 4,-1.4 -4,-0.2 -2,-0.2 0.882 109.5 51.0 -83.5 -28.7 26.2 87.5 102.4 129 161 A Y H X S+ 0 0 14 -4,-1.8 4,-2.9 1,-0.2 3,-0.3 0.936 108.5 52.5 -70.2 -46.5 24.1 85.5 105.0 130 162 A V H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.805 107.5 52.5 -60.5 -30.4 26.6 82.6 104.7 131 163 A Q H X S+ 0 0 0 -4,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.824 113.4 42.1 -75.9 -32.4 29.5 85.0 105.4 132 164 A A H X S+ 0 0 0 -4,-1.4 4,-2.8 -3,-0.3 -2,-0.2 0.938 113.7 51.4 -76.1 -50.9 27.9 86.4 108.5 133 165 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.879 109.4 52.0 -53.0 -40.4 26.8 83.0 109.8 134 166 A N H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.939 110.4 48.0 -63.4 -44.9 30.4 81.8 109.3 135 167 A L H X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.940 111.0 51.5 -60.1 -46.9 31.6 84.7 111.3 136 168 A H H X S+ 0 0 5 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.912 109.6 47.1 -55.4 -54.0 29.1 84.1 114.1 137 169 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.871 110.8 56.3 -57.6 -37.3 29.9 80.3 114.5 138 170 A S H X S+ 0 0 0 -4,-1.8 4,-0.6 -5,-0.3 -1,-0.2 0.905 110.9 40.8 -63.0 -42.3 33.5 81.4 114.6 139 171 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 3,-0.3 0.892 114.0 51.8 -78.4 -33.9 33.0 83.8 117.5 140 172 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.3 -2,-0.2 0.914 109.9 51.1 -64.4 -36.4 30.7 81.4 119.4 141 173 A R H X S+ 0 0 5 -4,-2.3 4,-0.6 -5,-0.3 -1,-0.3 0.748 105.0 61.0 -68.2 -24.3 33.5 78.9 118.9 142 174 A D H X S+ 0 0 0 -4,-0.6 4,-2.6 -3,-0.3 3,-0.5 0.913 107.0 39.0 -71.1 -47.5 35.8 81.5 120.3 143 175 A V H X S+ 0 0 2 -4,-1.8 4,-3.5 1,-0.2 5,-0.3 0.975 108.9 63.8 -66.3 -49.6 34.2 81.9 123.7 144 176 A S H < S+ 0 0 16 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.703 116.4 29.7 -43.2 -27.5 33.6 78.2 123.9 145 177 A V H < S+ 0 0 50 -4,-0.6 4,-0.3 -3,-0.5 -1,-0.2 0.839 136.2 21.1-101.9 -49.1 37.4 77.7 123.8 146 178 A F H < S+ 0 0 15 -4,-2.6 4,-0.3 1,-0.1 -3,-0.2 0.286 90.4 104.5-107.8 12.5 39.0 80.8 125.5 147 179 A G S >X>S+ 0 0 0 -4,-3.5 5,-2.6 -5,-0.2 3,-1.2 0.889 81.6 49.1 -60.3 -45.4 36.0 82.0 127.5 148 180 A Q G >45S+ 0 0 144 -5,-0.3 3,-2.4 1,-0.3 -1,-0.2 0.981 110.2 51.5 -58.4 -53.0 37.4 80.7 130.8 149 181 A R G 345S+ 0 0 122 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.2 0.475 108.4 53.0 -65.1 -1.3 40.7 82.3 130.1 150 182 A W G <45S- 0 0 0 -3,-1.2 -1,-0.3 -4,-0.3 -51,-0.3 0.468 127.6 -99.1-104.3 -16.5 38.9 85.6 129.4 151 183 A G T <<5S+ 0 0 34 -3,-2.4 2,-0.3 -4,-0.6 -3,-0.2 0.693 70.4 148.0 105.9 25.2 37.1 85.4 132.7 152 184 A F < - 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