==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-JUL-11 3SS1 . COMPND 2 MOLECULE: TOXIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR R.N.PRUITT,N.M.CHUMBLER,M.A.FARROW,S.A.SEEBACK,D.B.FRIEDMAN, . 537 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 389 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 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 . 22 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 46.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 4 0 0 2 0 0 1 1 1 3 2 1 2 0 0 2 0 1 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 0 119 0, 0.0 2,-0.2 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 156.4 0.6 81.4 -18.2 2 3 A L - 0 0 15 1,-0.1 3,-0.1 27,-0.1 71,-0.0 -0.647 360.0 -86.4-107.3 159.7 -1.8 84.3 -18.8 3 4 A I - 0 0 36 -2,-0.2 -1,-0.1 1,-0.1 30,-0.1 -0.287 53.1-103.8 -58.9 146.6 -1.5 87.4 -20.9 4 5 A S > - 0 0 42 1,-0.1 4,-2.0 29,-0.1 5,-0.2 -0.275 27.8-108.8 -64.7 160.7 0.2 90.3 -19.1 5 6 A K H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.882 121.8 57.8 -54.7 -42.8 -1.9 93.2 -17.8 6 7 A E H > S+ 0 0 130 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 104.9 49.4 -57.0 -44.6 -0.4 95.3 -20.6 7 8 A E H > S+ 0 0 99 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.912 110.1 50.6 -62.3 -43.9 -1.7 92.8 -23.3 8 9 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.918 107.0 54.7 -60.2 -44.4 -5.2 92.9 -21.8 9 10 A I H < S+ 0 0 22 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.961 112.8 42.6 -53.7 -50.6 -5.1 96.7 -21.8 10 11 A K H >< S+ 0 0 170 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.935 116.7 47.5 -60.4 -47.9 -4.3 96.7 -25.5 11 12 A L H 3< S+ 0 0 106 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.881 119.8 36.8 -62.7 -44.2 -6.8 93.9 -26.3 12 13 A A T 3< S+ 0 0 4 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.278 86.5 142.6 -93.6 9.0 -9.8 95.3 -24.4 13 14 A Y < + 0 0 176 -3,-0.9 2,-0.3 -4,-0.4 -3,-0.1 -0.150 22.8 165.4 -52.0 141.9 -9.0 98.9 -25.3 14 15 A S - 0 0 16 2,-0.3 4,-0.1 1,-0.0 -2,-0.0 -0.985 53.5-102.4-154.2 170.3 -11.9 101.2 -25.9 15 16 A I S S+ 0 0 168 -2,-0.3 -2,-0.1 2,-0.1 -1,-0.0 0.639 97.9 85.4 -64.5 -14.3 -13.2 104.8 -26.3 16 17 A R S S- 0 0 161 1,-0.1 -2,-0.3 3,-0.0 2,-0.1 -0.535 87.8-102.5 -91.8 153.8 -14.5 104.5 -22.7 17 18 A P - 0 0 106 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.409 49.8 -89.1 -67.0 149.9 -12.7 105.1 -19.4 18 19 A R - 0 0 115 -2,-0.1 5,-0.1 1,-0.1 -5,-0.0 -0.480 44.6-131.2 -65.3 113.7 -11.6 102.0 -17.4 19 20 A E >> - 0 0 30 -2,-0.5 4,-2.3 1,-0.1 3,-0.8 -0.271 20.1-113.3 -59.7 151.4 -14.5 101.0 -15.1 20 21 A N H 3> S+ 0 0 111 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.886 120.4 52.9 -52.3 -42.9 -13.6 100.4 -11.5 21 22 A E H 3> S+ 0 0 37 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.757 107.4 52.9 -68.8 -24.0 -14.4 96.8 -11.9 22 23 A Y H <> S+ 0 0 1 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.920 105.0 53.0 -75.9 -43.5 -12.1 96.7 -14.9 23 24 A K H X S+ 0 0 108 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.881 107.1 54.2 -55.8 -37.9 -9.2 98.2 -12.9 24 25 A T H X S+ 0 0 71 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.931 107.0 49.8 -64.7 -44.5 -9.7 95.4 -10.4 25 26 A I H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.930 109.4 51.7 -55.2 -49.3 -9.5 92.7 -13.1 26 27 A L H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.932 112.1 46.6 -55.4 -47.9 -6.2 94.3 -14.3 27 28 A T H X S+ 0 0 64 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.918 112.7 48.5 -60.4 -46.9 -4.8 94.2 -10.8 28 29 A N H X S+ 0 0 9 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.858 113.0 48.8 -63.9 -36.2 -5.9 90.6 -10.1 29 30 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.937 111.8 48.0 -67.3 -48.9 -4.4 89.6 -13.5 30 31 A D H X S+ 0 0 38 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.929 112.2 49.5 -58.5 -46.3 -1.1 91.3 -12.8 31 32 A E H < S+ 0 0 97 -4,-2.7 -1,-0.2 1,-0.2 4,-0.2 0.882 110.4 50.5 -65.2 -37.0 -0.9 89.8 -9.3 32 33 A Y H >< S+ 0 0 12 -4,-1.9 3,-1.6 -5,-0.2 -1,-0.2 0.954 111.7 48.9 -59.0 -48.2 -1.6 86.4 -10.7 33 34 A N H 3< S+ 0 0 52 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.857 108.5 53.4 -61.0 -35.4 1.2 87.0 -13.3 34 35 A K T 3< S+ 0 0 138 -4,-2.4 2,-0.5 -5,-0.2 -1,-0.3 0.361 74.6 136.8 -85.3 7.5 3.7 88.2 -10.7 35 36 A L < + 0 0 49 -3,-1.6 -3,-0.1 -4,-0.2 8,-0.0 -0.395 25.1 175.5 -59.6 110.2 3.2 85.0 -8.5 36 37 A T + 0 0 141 -2,-0.5 -1,-0.2 2,-0.0 -3,-0.0 0.864 54.1 92.3 -78.4 -42.3 6.7 84.0 -7.4 37 38 A T - 0 0 44 1,-0.1 0, 0.0 5,-0.0 0, 0.0 -0.083 61.4-157.6 -49.2 150.7 5.4 81.2 -5.2 38 39 A N + 0 0 100 5,-0.0 2,-0.5 4,-0.0 -1,-0.1 -0.037 49.8 123.7-123.7 28.9 5.2 77.8 -6.8 39 40 A N > - 0 0 64 1,-0.1 4,-1.4 329,-0.0 3,-0.2 -0.824 57.7-143.0 -88.1 127.5 2.6 76.3 -4.4 40 41 A N H > S+ 0 0 6 -2,-0.5 4,-2.7 1,-0.2 3,-0.2 0.891 93.1 57.2 -60.9 -45.1 -0.3 75.1 -6.6 41 42 A E H > S+ 0 0 79 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.890 105.6 48.7 -52.5 -50.1 -3.0 76.0 -4.2 42 43 A N H > S+ 0 0 86 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.823 111.5 49.7 -66.8 -34.4 -2.1 79.7 -3.9 43 44 A K H X S+ 0 0 35 -4,-1.4 4,-2.8 2,-0.2 5,-0.2 0.947 111.3 50.9 -61.6 -49.8 -1.9 80.1 -7.7 44 45 A Y H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.938 108.6 50.1 -53.3 -52.3 -5.3 78.4 -7.9 45 46 A L H X S+ 0 0 70 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.855 112.2 47.2 -57.9 -39.1 -6.9 80.7 -5.4 46 47 A Q H X S+ 0 0 27 -4,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.902 110.7 51.4 -70.6 -41.2 -5.6 83.8 -7.2 47 48 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.930 111.5 49.7 -55.2 -43.4 -6.8 82.5 -10.5 48 49 A K H X S+ 0 0 24 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.910 109.8 50.0 -63.2 -44.6 -10.2 82.0 -8.8 49 50 A K H X S+ 0 0 98 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.911 111.6 48.2 -62.4 -45.8 -10.1 85.5 -7.5 50 51 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 -22,-0.2 -2,-0.2 0.939 111.4 50.9 -56.4 -47.3 -9.3 86.9 -10.9 51 52 A N H X S+ 0 0 4 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.922 109.1 49.9 -61.9 -45.2 -12.1 84.8 -12.5 52 53 A E H X S+ 0 0 85 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.925 108.6 52.8 -57.2 -45.2 -14.7 86.0 -10.0 53 54 A S H X S+ 0 0 13 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.841 107.1 53.2 -62.5 -32.9 -13.7 89.6 -10.6 54 55 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.955 107.3 50.0 -66.4 -48.9 -14.2 89.1 -14.4 55 56 A D H X S+ 0 0 40 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.910 106.7 57.2 -53.3 -42.1 -17.7 87.7 -13.8 56 57 A V H X S+ 0 0 84 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.923 110.3 43.3 -56.0 -46.0 -18.4 90.8 -11.7 57 58 A F H X S+ 0 0 0 -4,-1.7 4,-2.9 -36,-0.2 3,-0.4 0.946 115.0 48.2 -63.6 -47.2 -17.5 93.1 -14.6 58 59 A M H < S+ 0 0 34 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.794 110.1 50.6 -71.9 -28.9 -19.3 91.1 -17.3 59 60 A N H < S+ 0 0 106 -4,-2.5 3,-0.3 -5,-0.2 -1,-0.2 0.777 116.4 42.4 -76.2 -26.6 -22.6 90.8 -15.3 60 61 A K H < S+ 0 0 123 -4,-1.2 2,-0.7 -3,-0.4 -2,-0.2 0.890 121.5 36.7 -85.6 -45.0 -22.6 94.5 -14.6 61 62 A Y >< + 0 0 64 -4,-2.9 3,-1.5 -5,-0.2 -1,-0.2 -0.652 69.0 167.4-111.4 75.1 -21.6 95.8 -18.1 62 63 A K T 3 S+ 0 0 149 -2,-0.7 -1,-0.2 -3,-0.3 -4,-0.1 0.628 77.0 41.8 -67.1 -15.3 -23.4 93.3 -20.3 63 64 A T T 3 S+ 0 0 141 -3,-0.1 -1,-0.3 4,-0.0 -5,-0.1 0.291 82.4 138.2-113.2 8.0 -22.8 95.3 -23.5 64 65 A S X - 0 0 20 -3,-1.5 3,-1.7 1,-0.2 4,-0.3 -0.231 58.0-135.1 -61.0 140.2 -19.2 96.4 -22.9 65 66 A S T > S+ 0 0 81 1,-0.3 3,-0.5 2,-0.1 4,-0.4 0.700 104.6 67.7 -65.3 -17.0 -16.9 96.3 -25.8 66 67 A R T 3> S+ 0 0 4 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.587 75.4 86.7 -77.7 -11.9 -14.4 94.7 -23.3 67 68 A N H <> S+ 0 0 24 -3,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.829 81.8 56.3 -65.1 -33.5 -16.5 91.5 -23.0 68 69 A R H <> S+ 0 0 203 -3,-0.5 4,-2.0 -4,-0.3 -1,-0.2 0.944 111.4 42.5 -61.9 -50.1 -14.9 89.8 -26.0 69 70 A A H > S+ 0 0 16 -4,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.886 116.6 48.8 -64.3 -38.1 -11.4 90.1 -24.6 70 71 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.843 108.6 53.1 -72.0 -32.7 -12.6 89.2 -21.1 71 72 A S H X S+ 0 0 37 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.893 110.1 48.9 -66.0 -38.6 -14.5 86.2 -22.5 72 73 A N H X S+ 0 0 83 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.902 108.7 53.4 -65.5 -40.4 -11.2 85.1 -24.1 73 74 A L H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.919 105.8 53.3 -55.8 -46.5 -9.4 85.6 -20.8 74 75 A K H X S+ 0 0 65 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.860 107.5 51.7 -61.5 -34.6 -11.9 83.4 -19.0 75 76 A K H X S+ 0 0 110 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.884 110.0 48.3 -66.6 -40.2 -11.2 80.7 -21.6 76 77 A D H X S+ 0 0 61 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.869 107.8 56.4 -67.0 -37.7 -7.5 81.0 -20.9 77 78 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.926 102.0 55.0 -60.3 -45.6 -8.1 80.8 -17.2 78 79 A L H X S+ 0 0 67 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.897 111.8 44.8 -51.6 -41.8 -9.9 77.5 -17.7 79 80 A K H X S+ 0 0 134 -4,-1.3 4,-1.9 1,-0.2 3,-0.3 0.862 104.9 61.3 -74.0 -36.4 -6.7 76.2 -19.4 80 81 A E H X S+ 0 0 16 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.833 97.9 59.1 -56.7 -35.8 -4.4 77.7 -16.8 81 82 A V H X S+ 0 0 1 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.919 107.7 45.3 -59.2 -44.9 -6.1 75.5 -14.1 82 83 A I H X S+ 0 0 39 -4,-0.9 4,-1.0 -3,-0.3 -1,-0.2 0.854 111.3 53.2 -67.7 -35.5 -5.1 72.4 -16.1 83 84 A L H < S+ 0 0 93 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.918 110.6 47.6 -66.9 -43.5 -1.6 73.8 -16.6 84 85 A I H >< S+ 0 0 4 -4,-2.8 3,-2.3 1,-0.2 4,-0.5 0.962 110.4 49.3 -60.3 -53.1 -1.2 74.3 -12.8 85 86 A K H 3< S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 282,-0.2 0.727 115.0 47.5 -66.0 -14.5 -2.4 70.9 -11.8 86 87 A N T 3< S+ 0 0 66 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.343 99.1 77.0-101.9 7.1 -0.0 69.4 -14.3 87 88 A S S < S+ 0 0 74 -3,-2.3 2,-0.3 1,-0.2 -2,-0.1 0.967 95.1 28.6 -82.9 -87.9 3.0 71.5 -13.2 88 89 A N S S+ 0 0 69 -4,-0.5 2,-0.3 -50,-0.1 -1,-0.2 -0.677 81.1 164.4 -72.4 136.8 4.6 70.2 -10.0 89 90 A T + 0 0 61 -2,-0.3 278,-0.2 278,-0.1 276,-0.1 -0.936 6.4 154.6-164.2 124.2 3.8 66.5 -10.1 90 91 A S E -A 366 0A 51 276,-2.0 276,-2.6 -2,-0.3 2,-0.0 -0.926 49.0 -62.6-151.1 171.8 5.4 63.7 -8.1 91 92 A P E -A 365 0A 53 0, 0.0 274,-0.2 0, 0.0 3,-0.1 -0.345 50.2-118.1 -66.8 138.7 4.4 60.2 -6.8 92 93 A V - 0 0 2 272,-2.0 272,-0.2 1,-0.2 296,-0.1 -0.287 49.4 -76.1 -61.2 158.3 1.5 59.8 -4.4 93 94 A E - 0 0 48 294,-0.1 2,-1.7 1,-0.1 -1,-0.2 -0.248 51.4-112.1 -51.4 144.4 2.2 58.3 -1.0 94 95 A K S S+ 0 0 59 186,-0.1 30,-2.7 -3,-0.1 2,-0.4 -0.403 72.6 126.4 -88.7 64.0 2.7 54.6 -1.5 95 96 A N E -b 124 0B 18 -2,-1.7 186,-2.7 28,-0.2 2,-0.6 -0.955 45.8-156.9-119.1 134.6 -0.4 53.4 0.4 96 97 A L E -bc 125 281B 0 28,-3.1 30,-3.2 -2,-0.4 2,-0.5 -0.965 18.6-160.8-108.9 115.7 -3.1 51.1 -0.9 97 98 A H E +bc 126 282B 0 184,-3.4 186,-2.3 -2,-0.6 2,-0.3 -0.864 16.1 168.4-101.3 125.2 -6.3 51.7 1.0 98 99 A F E -b 127 0B 1 28,-3.2 30,-2.8 -2,-0.5 2,-0.4 -0.831 18.7-147.2-121.4 167.7 -9.1 49.1 1.1 99 100 A V E +b 128 0B 14 184,-0.3 2,-0.3 -2,-0.3 186,-0.3 -0.983 22.1 166.5-142.6 123.4 -12.2 49.1 3.4 100 101 A W + 0 0 69 28,-2.8 2,-0.3 -2,-0.4 30,-0.3 -0.778 21.9 164.1-136.0 96.7 -14.1 46.2 4.9 101 102 A I + 0 0 13 -2,-0.3 166,-0.1 28,-0.2 33,-0.1 -0.816 47.1 32.2-112.7 147.2 -16.5 47.4 7.6 102 103 A G S S+ 0 0 2 -2,-0.3 35,-2.5 28,-0.3 36,-0.4 0.524 112.8 5.1 95.6 8.9 -19.4 45.8 9.4 103 104 A G S S- 0 0 2 -3,-0.2 2,-0.3 33,-0.1 32,-0.1 -0.985 99.0 -33.0 170.2-173.0 -18.5 42.1 9.3 104 105 A E - 0 0 57 -2,-0.3 2,-0.1 30,-0.2 122,-0.1 -0.525 59.5-118.6 -72.7 126.1 -16.0 39.4 8.5 105 106 A V - 0 0 0 -2,-0.3 2,-0.1 121,-0.3 -1,-0.1 -0.441 34.1-118.7 -63.3 131.8 -13.8 40.2 5.5 106 107 A S > - 0 0 32 -2,-0.1 4,-1.5 1,-0.1 3,-0.3 -0.406 7.6-129.2 -72.0 149.6 -14.4 37.5 2.9 107 108 A D H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.898 110.0 63.5 -61.6 -41.3 -11.6 35.2 1.7 108 109 A I H > S+ 0 0 71 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.863 103.6 47.0 -49.5 -42.1 -12.5 36.1 -1.8 109 110 A A H > S+ 0 0 4 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.855 107.3 56.4 -72.3 -36.1 -11.6 39.8 -1.1 110 111 A L H X S+ 0 0 27 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.888 105.3 52.9 -61.6 -38.5 -8.4 38.8 0.6 111 112 A E H X S+ 0 0 39 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 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170.5 -65.2 131.6 -36.9 73.5 -4.0 438 439 A T > - 0 0 71 -2,-0.1 4,-1.5 1,-0.1 3,-0.1 -0.845 51.1-103.0-123.7 170.2 -35.2 75.9 -6.3 439 440 A A T 4 S+ 0 0 97 -2,-0.3 4,-0.3 1,-0.2 3,-0.2 0.902 123.0 54.3 -54.5 -39.0 -34.4 75.6 -10.0 440 441 A E T 4 S+ 0 0 105 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.883 119.4 24.6 -64.2 -44.4 -30.9 75.0 -8.9 441 442 A N T > S+ 0 0 13 -5,-0.1 4,-2.5 1,-0.1 5,-0.2 0.399 86.4 106.2-108.1 1.3 -31.4 72.1 -6.4 442 443 A S H X S+ 0 0 48 -4,-1.5 4,-2.1 1,-0.2 5,-0.1 0.846 83.2 46.5 -53.9 -45.1 -34.6 70.4 -7.5 443 444 A M H > S+ 0 0 102 -4,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.927 110.9 52.2 -64.5 -49.2 -33.0 67.4 -9.1 444 445 A F H > S+ 0 0 12 2,-0.2 4,-2.2 -4,-0.2 5,-0.2 0.935 109.9 50.5 -50.7 -47.6 -30.8 66.8 -6.1 445 446 A L H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.906 109.9 49.6 -58.7 -45.7 -33.9 67.0 -3.8 446 447 A T H < S+ 0 0 78 -4,-2.1 3,-0.3 -5,-0.2 -1,-0.2 0.905 110.7 51.7 -60.9 -40.9 -35.7 64.4 -6.0 447 448 A K H < S+ 0 0 99 -4,-2.8 14,-0.2 1,-0.2 -2,-0.2 0.875 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