==== 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 3SRZ . 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) . 25574.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 74.1 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 . 21 3.9 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 . 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 . 21 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 253 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 1 0 0 2 0 0 0 1 1 3 2 1 3 0 0 0 2 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 . 1 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 0 118 0, 0.0 2,-0.2 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0-178.1 -70.7 -40.8 -28.4 2 3 A L - 0 0 16 27,-0.1 2,-0.1 1,-0.1 71,-0.0 -0.598 360.0 -89.1-105.9 165.8 -72.3 -44.3 -28.8 3 4 A I - 0 0 32 -2,-0.2 30,-0.1 1,-0.1 -1,-0.1 -0.430 52.7-100.6 -66.8 150.5 -75.2 -45.7 -30.8 4 5 A S > - 0 0 35 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.248 25.7-111.4 -67.6 156.4 -78.6 -45.5 -29.1 5 6 A K H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.941 122.3 54.0 -50.2 -47.5 -80.2 -48.5 -27.4 6 7 A E H > S+ 0 0 101 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.928 108.2 49.0 -55.7 -47.6 -82.8 -48.4 -30.2 7 8 A E H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.906 108.9 51.1 -57.8 -46.8 -80.0 -48.6 -32.8 8 9 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.894 105.0 59.7 -59.4 -37.0 -78.3 -51.5 -31.1 9 10 A I H < S+ 0 0 49 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.885 108.1 43.3 -59.4 -42.4 -81.6 -53.2 -31.1 10 11 A K H >< S+ 0 0 163 -4,-1.5 3,-1.2 -3,-0.2 -1,-0.2 0.936 116.0 46.2 -65.9 -50.3 -81.8 -53.1 -34.9 11 12 A L H 3< S+ 0 0 105 -4,-2.2 -2,-0.2 1,-0.3 58,-0.2 0.806 116.3 42.7 -66.8 -36.4 -78.2 -54.1 -35.6 12 13 A A T 3< S+ 0 0 3 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.182 83.9 153.9 -94.4 14.5 -78.1 -57.0 -33.2 13 14 A Y < + 0 0 163 -3,-1.2 2,-0.3 -5,-0.1 -3,-0.1 -0.156 17.3 178.3 -49.5 131.4 -81.5 -58.2 -34.3 14 15 A S - 0 0 25 2,-0.3 -2,-0.1 1,-0.1 4,-0.0 -0.996 38.8-134.1-134.8 145.8 -82.0 -61.9 -33.8 15 16 A I S S+ 0 0 129 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.794 90.6 82.7 -63.8 -25.3 -85.0 -64.2 -34.4 16 17 A R S S- 0 0 170 1,-0.1 -2,-0.3 -3,-0.0 2,-0.1 -0.244 93.4 -90.7 -74.4 164.9 -84.3 -65.6 -30.9 17 18 A P - 0 0 106 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.369 50.0 -84.1 -78.2 157.3 -85.4 -64.0 -27.6 18 19 A R - 0 0 115 -2,-0.1 2,-0.0 1,-0.1 0, 0.0 -0.444 39.9-136.8 -65.8 115.9 -83.4 -61.5 -25.6 19 20 A E > - 0 0 31 -2,-0.4 4,-2.4 1,-0.1 3,-0.4 -0.370 21.3-118.7 -62.0 149.1 -80.8 -63.1 -23.3 20 21 A N H > S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.860 116.6 55.2 -58.1 -34.4 -80.7 -61.5 -19.8 21 22 A E H > S+ 0 0 35 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.792 106.9 49.0 -71.2 -30.6 -77.1 -60.6 -20.5 22 23 A Y H > S+ 0 0 2 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.917 107.8 54.4 -72.7 -43.0 -78.1 -58.8 -23.7 23 24 A K H X S+ 0 0 103 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.876 108.0 50.7 -56.3 -38.9 -80.9 -57.0 -21.8 24 25 A T H X S+ 0 0 72 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.915 109.6 49.7 -66.0 -45.6 -78.2 -55.8 -19.3 25 26 A I H X S+ 0 0 0 -4,-1.7 4,-3.1 1,-0.2 5,-0.3 0.985 108.3 53.1 -54.4 -60.3 -76.0 -54.5 -22.1 26 27 A L H X S+ 0 0 5 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.813 113.2 45.8 -38.6 -39.1 -78.9 -52.7 -23.7 27 28 A T H X S+ 0 0 68 -4,-1.3 4,-2.8 -5,-0.2 -1,-0.2 0.902 111.2 48.8 -82.0 -42.1 -79.4 -51.0 -20.2 28 29 A N H X S+ 0 0 12 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.885 113.0 49.5 -61.2 -38.9 -75.8 -50.1 -19.6 29 30 A L H X S+ 0 0 0 -4,-3.1 4,-2.2 -5,-0.2 -2,-0.2 0.909 113.2 45.3 -69.3 -40.6 -75.5 -48.6 -23.0 30 31 A D H X S+ 0 0 22 -4,-1.5 4,-2.2 -5,-0.3 -2,-0.2 0.927 112.0 52.6 -66.7 -44.2 -78.7 -46.5 -22.6 31 32 A E H < S+ 0 0 101 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.918 110.3 49.4 -56.6 -45.8 -77.6 -45.5 -19.1 32 33 A Y H >< S+ 0 0 9 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.901 109.4 49.4 -59.4 -47.5 -74.3 -44.4 -20.6 33 34 A N H 3< S+ 0 0 56 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.907 113.2 47.3 -61.0 -39.3 -75.8 -42.3 -23.4 34 35 A K T 3< S+ 0 0 144 -4,-2.2 2,-1.1 -5,-0.2 -1,-0.3 0.294 78.7 131.9 -85.5 9.1 -78.1 -40.5 -21.0 35 36 A L < - 0 0 58 -3,-1.4 2,-1.4 -5,-0.1 -3,-0.1 -0.510 42.7-163.4 -70.0 100.6 -75.3 -39.9 -18.6 36 37 A T + 0 0 138 -2,-1.1 2,-0.3 2,-0.0 -1,-0.1 -0.605 45.8 98.1 -90.4 78.2 -75.8 -36.2 -17.9 37 38 A T - 0 0 49 -2,-1.4 -2,-0.0 1,-0.1 0, 0.0 -0.980 60.1-147.2-157.3 160.6 -72.4 -35.2 -16.4 38 39 A N + 0 0 113 -2,-0.3 2,-0.7 50,-0.0 -1,-0.1 0.326 64.4 116.4-113.3 1.4 -69.1 -33.5 -17.2 39 40 A N > - 0 0 68 1,-0.2 4,-1.9 2,-0.1 5,-0.1 -0.652 52.3-159.0 -75.7 112.4 -67.1 -35.6 -14.7 40 41 A N H > S+ 0 0 1 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.890 87.4 53.1 -62.6 -46.2 -64.7 -37.6 -16.9 41 42 A E H > S+ 0 0 92 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 108.8 52.3 -58.3 -43.2 -63.9 -40.4 -14.4 42 43 A N H > S+ 0 0 89 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.927 110.0 46.9 -55.5 -49.0 -67.7 -41.0 -14.0 43 44 A K H X S+ 0 0 45 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.918 111.7 52.8 -61.9 -40.6 -68.2 -41.3 -17.8 44 45 A Y H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.887 106.4 51.0 -62.6 -43.7 -65.2 -43.6 -18.1 45 46 A L H X S+ 0 0 67 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.828 109.1 51.1 -66.0 -32.9 -66.4 -46.1 -15.4 46 47 A Q H X S+ 0 0 33 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.844 108.9 51.2 -73.1 -35.9 -69.8 -46.4 -17.1 47 48 A L H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.950 111.0 50.2 -59.3 -46.8 -68.0 -47.1 -20.3 48 49 A K H X S+ 0 0 19 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.911 109.3 49.0 -60.5 -45.7 -66.1 -49.7 -18.3 49 50 A K H X S+ 0 0 105 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.952 112.9 48.6 -57.9 -49.6 -69.3 -51.2 -16.9 50 51 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.943 111.3 49.3 -55.4 -51.5 -70.8 -51.4 -20.4 51 52 A N H X S+ 0 0 4 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.888 111.4 48.9 -59.3 -42.9 -67.7 -53.0 -21.9 52 53 A E H X S+ 0 0 74 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.924 108.1 53.7 -61.4 -44.2 -67.5 -55.6 -19.2 53 54 A S H X S+ 0 0 15 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.836 109.6 50.0 -62.9 -31.0 -71.2 -56.4 -19.6 54 55 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.892 108.3 51.3 -70.7 -43.7 -70.5 -57.0 -23.3 55 56 A D H X S+ 0 0 43 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.916 108.2 53.7 -62.3 -39.5 -67.6 -59.3 -22.6 56 57 A V H X S+ 0 0 87 -4,-2.6 4,-0.7 2,-0.2 3,-0.2 0.983 111.2 43.3 -57.6 -61.9 -69.7 -61.4 -20.3 57 58 A F H >X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 3,-1.8 0.943 116.2 48.9 -44.7 -58.0 -72.5 -61.9 -22.8 58 59 A M H 3< S+ 0 0 32 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.840 110.4 50.2 -55.0 -38.8 -70.0 -62.6 -25.6 59 60 A N H 3< S+ 0 0 109 -4,-2.6 -1,-0.3 -3,-0.2 -2,-0.2 0.472 117.4 41.0 -83.2 -1.2 -67.9 -65.1 -23.5 60 61 A K H << S+ 0 0 114 -3,-1.8 2,-0.6 -4,-0.7 -2,-0.2 0.759 119.4 39.1-107.2 -47.5 -71.1 -67.0 -22.6 61 62 A Y >< + 0 0 65 -4,-3.0 3,-3.4 -5,-0.2 6,-0.2 -0.421 67.9 162.8-101.1 56.5 -73.0 -67.1 -25.8 62 63 A K T 3 S+ 0 0 150 -2,-0.6 -1,-0.2 1,-0.3 -4,-0.1 0.730 75.4 54.0 -46.3 -25.8 -70.0 -67.7 -28.1 63 64 A T T 3 S+ 0 0 145 -3,-0.2 -1,-0.3 4,-0.0 2,-0.1 0.395 81.1 125.6 -92.0 1.5 -72.4 -68.8 -30.8 64 65 A S X - 0 0 19 -3,-3.4 3,-1.0 -6,-0.2 4,-0.2 -0.380 56.6-147.0 -71.3 138.9 -74.6 -65.7 -30.7 65 66 A S T >> S+ 0 0 78 1,-0.2 3,-1.1 2,-0.1 4,-0.5 0.771 95.0 74.4 -69.6 -27.5 -75.3 -63.8 -33.9 66 67 A R H 3> S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.749 76.7 82.5 -55.6 -24.6 -75.4 -60.6 -31.8 67 68 A N H <> S+ 0 0 27 -3,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.800 81.4 57.7 -57.5 -39.1 -71.6 -60.8 -31.5 68 69 A R H <> S+ 0 0 216 -3,-1.1 4,-1.9 -4,-0.2 3,-0.3 0.983 114.1 39.4 -51.6 -55.9 -70.8 -59.2 -34.9 69 70 A A H X S+ 0 0 13 -4,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.901 116.3 50.7 -65.1 -41.1 -72.7 -56.1 -33.8 70 71 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.749 107.6 53.3 -68.4 -26.8 -71.4 -56.2 -30.2 71 72 A S H X S+ 0 0 46 -4,-2.1 4,-1.7 -3,-0.3 -1,-0.2 0.877 106.9 52.7 -75.3 -37.7 -67.9 -56.5 -31.4 72 73 A N H X S+ 0 0 84 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.901 108.6 51.4 -56.9 -45.1 -68.5 -53.4 -33.5 73 74 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.892 104.3 54.7 -62.3 -41.1 -69.7 -51.7 -30.4 74 75 A K H X S+ 0 0 47 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.872 108.3 52.1 -62.9 -33.1 -66.5 -52.7 -28.4 75 76 A K H X S+ 0 0 120 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.942 108.0 49.7 -62.1 -48.6 -64.6 -51.0 -31.2 76 77 A D H X S+ 0 0 67 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.838 107.3 56.5 -58.5 -35.6 -66.7 -47.8 -30.8 77 78 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.924 100.1 56.2 -66.2 -46.6 -66.1 -47.9 -27.1 78 79 A L H X S+ 0 0 71 -4,-1.8 4,-1.2 1,-0.2 3,-0.3 0.923 110.4 46.6 -48.6 -45.8 -62.3 -47.8 -27.5 79 80 A K H X S+ 0 0 150 -4,-1.5 4,-2.0 1,-0.2 3,-0.3 0.910 106.9 57.7 -66.5 -39.4 -62.7 -44.7 -29.5 80 81 A E H X S+ 0 0 16 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.836 98.9 59.6 -59.1 -35.8 -65.1 -43.2 -26.9 81 82 A V H X S+ 0 0 1 -4,-2.1 4,-2.2 -3,-0.3 -1,-0.2 0.932 107.0 46.9 -58.7 -44.5 -62.4 -43.6 -24.3 82 83 A I H X S+ 0 0 40 -4,-1.2 4,-1.3 -3,-0.3 -2,-0.2 0.884 109.1 54.8 -65.4 -39.2 -60.2 -41.3 -26.4 83 84 A L H < S+ 0 0 98 -4,-2.0 3,-0.2 2,-0.2 -2,-0.2 0.927 109.1 47.8 -57.6 -48.4 -63.1 -38.9 -26.9 84 85 A I H >< S+ 0 0 7 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.944 112.4 46.5 -58.1 -53.0 -63.6 -38.5 -23.1 85 86 A K H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.676 107.8 59.2 -70.2 -15.7 -59.9 -38.0 -22.3 86 87 A N T 3< S+ 0 0 71 -4,-1.3 -1,-0.3 -3,-0.2 2,-0.3 0.141 100.0 69.8 -98.9 21.7 -59.7 -35.4 -25.1 87 88 A S S < S+ 0 0 44 -3,-1.7 3,-0.1 1,-0.1 -47,-0.0 -0.807 86.1 35.6-126.2 172.8 -62.4 -33.2 -23.5 88 89 A N S S+ 0 0 84 -2,-0.3 2,-0.3 1,-0.2 280,-0.3 0.845 84.6 168.8 48.0 34.2 -62.5 -31.0 -20.4 89 90 A T + 0 0 60 -3,-0.2 278,-0.2 278,-0.1 -1,-0.2 -0.615 6.0 157.8 -78.6 130.4 -58.9 -30.4 -21.3 90 91 A S E -A 366 0A 51 276,-2.3 276,-2.5 -2,-0.3 2,-0.1 -0.952 45.8 -71.9-147.4 167.6 -57.1 -27.6 -19.5 91 92 A P E -A 365 0A 57 0, 0.0 274,-0.2 0, 0.0 3,-0.1 -0.356 50.6-111.5 -70.6 137.9 -53.4 -26.7 -18.7 92 93 A V - 0 0 2 272,-2.3 272,-0.2 1,-0.2 296,-0.1 -0.203 46.4 -79.5 -57.2 151.5 -51.4 -28.7 -16.2 93 94 A E - 0 0 52 1,-0.2 2,-1.9 294,-0.1 -1,-0.2 -0.256 52.3-114.9 -44.0 134.4 -50.4 -27.3 -12.8 94 95 A K S S+ 0 0 63 -3,-0.1 30,-3.3 186,-0.1 2,-0.4 -0.391 70.1 129.7 -84.4 63.1 -47.3 -25.2 -13.8 95 96 A N E -b 124 0B 24 -2,-1.9 186,-2.3 28,-0.2 2,-0.7 -0.937 47.1-152.9-114.5 138.6 -44.7 -27.2 -11.8 96 97 A L E -bc 125 281B 0 28,-3.8 30,-3.3 -2,-0.4 2,-0.5 -0.923 19.4-160.1-105.6 106.4 -41.4 -28.6 -13.0 97 98 A H E +bc 126 282B 0 184,-3.2 186,-2.5 -2,-0.7 2,-0.3 -0.756 15.1 171.6 -87.8 129.0 -40.5 -31.7 -10.9 98 99 A F E -b 127 0B 0 28,-3.1 30,-3.8 -2,-0.5 2,-0.5 -0.943 16.9-150.4-127.1 153.6 -37.0 -32.9 -10.8 99 100 A V E +b 128 0B 7 184,-0.4 2,-0.4 -2,-0.3 186,-0.3 -0.974 20.4 165.4-128.1 120.2 -35.6 -35.6 -8.6 100 101 A W + 0 0 60 28,-3.2 2,-0.4 -2,-0.5 30,-0.3 -0.868 17.1 168.2-130.1 108.5 -32.1 -35.9 -7.2 101 102 A I + 0 0 7 -2,-0.4 33,-0.1 28,-0.2 166,-0.1 -0.906 46.4 30.0-119.2 139.4 -31.6 -38.4 -4.4 102 103 A G S S+ 0 0 1 -2,-0.4 35,-2.5 28,-0.3 36,-0.4 0.345 108.0 0.9 107.5 -2.9 -28.6 -39.9 -2.7 103 104 A G S S- 0 0 3 33,-0.1 2,-0.2 34,-0.1 -1,-0.1 -0.970 100.7 -25.6-177.3-165.5 -25.8 -37.4 -2.8 104 105 A E - 0 0 80 -2,-0.3 2,-0.3 30,-0.2 122,-0.1 -0.493 62.9-121.5 -62.9 128.4 -24.7 -33.9 -3.9 105 106 A V - 0 0 0 121,-0.3 2,-0.1 -2,-0.2 -1,-0.1 -0.602 36.8-116.5 -67.3 131.7 -26.7 -32.7 -6.9 106 107 A S > - 0 0 46 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.390 3.7-127.9 -78.9 149.9 -24.2 -32.0 -9.7 107 108 A D H > S+ 0 0 97 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.868 111.6 58.7 -58.4 -38.1 -23.5 -28.6 -11.3 108 109 A I H >> S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 3,-1.1 0.971 105.6 46.7 -55.5 -56.7 -24.2 -30.2 -14.7 109 110 A A H 3> S+ 0 0 5 1,-0.3 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