==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 30-JUN-99 1QUA . COMPND 2 MOLECULE: ACUTOLYSIN-C; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINAGKISTRODON ACUTUS; . AUTHOR L.NIU,M.TENG,X.ZHU . 197 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8904.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.0 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 . 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 . 17 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.0 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 1 0 0 0 0 0 0 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 50 0, 0.0 46,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 20.3 18.5 5.8 25.4 2 3 A A + 0 0 69 1,-0.1 2,-0.3 44,-0.1 45,-0.0 0.626 360.0 90.0-142.3 -42.8 16.6 8.3 27.6 3 4 A P S S- 0 0 57 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.528 81.9-115.5 -68.6 131.1 14.7 11.2 26.0 4 5 A Q + 0 0 149 -2,-0.3 2,-0.2 44,-0.1 44,-0.2 -0.520 52.1 172.9 -64.2 110.7 11.2 10.0 25.2 5 6 A T E -a 48 0A 3 42,-2.2 44,-2.5 -2,-0.6 2,-0.3 -0.681 22.2-150.3-119.1 175.2 11.2 10.2 21.4 6 7 A S E -a 49 0A 21 189,-2.5 2,-0.5 -2,-0.2 44,-0.2 -0.968 5.1-163.2-155.4 134.7 9.0 9.3 18.5 7 8 A I E -a 50 0A 0 42,-2.9 44,-2.7 -2,-0.3 2,-1.0 -0.971 11.3-153.5-116.8 119.3 9.3 8.3 14.8 8 9 A E E -a 51 0A 62 -2,-0.5 84,-1.8 42,-0.2 85,-1.2 -0.866 26.4-161.8 -94.2 102.7 6.4 8.5 12.5 9 10 A L E -ab 52 93A 0 42,-3.1 44,-2.5 -2,-1.0 45,-0.9 -0.751 10.5-159.2 -90.9 132.1 7.5 5.8 10.0 10 11 A F E -ab 54 94A 7 83,-2.7 85,-2.2 -2,-0.4 2,-0.4 -0.920 7.7-152.7-111.5 132.2 6.0 5.6 6.6 11 12 A L E -ab 55 95A 0 43,-2.3 45,-2.8 -2,-0.5 2,-0.5 -0.830 5.3-164.2-107.0 139.8 6.2 2.3 4.6 12 13 A I E -ab 56 96A 0 83,-2.1 85,-3.1 -2,-0.4 2,-0.5 -0.987 4.3-158.9-124.2 124.6 6.2 2.1 0.8 13 14 A V E -ab 57 97A 0 43,-3.2 45,-2.9 -2,-0.5 85,-0.2 -0.897 15.9-141.5-103.8 126.1 5.6 -1.2 -0.8 14 15 A D > - 0 0 0 83,-2.3 4,-1.6 -2,-0.5 5,-0.1 -0.347 26.0-101.8 -83.8 175.9 6.8 -1.5 -4.4 15 16 A H H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.809 118.3 54.9 -64.3 -33.3 5.1 -3.2 -7.3 16 17 A S H > S+ 0 0 39 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.901 111.1 44.9 -70.6 -38.5 7.4 -6.3 -7.2 17 18 A M H > S+ 0 0 1 80,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.814 110.9 55.9 -74.7 -24.6 6.5 -6.9 -3.5 18 19 A Y H ><>S+ 0 0 32 -4,-1.6 5,-1.8 1,-0.2 3,-0.8 0.964 111.1 42.8 -67.7 -49.8 2.9 -6.2 -4.4 19 20 A A H ><5S+ 0 0 52 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.763 105.8 64.0 -65.1 -30.9 2.9 -9.0 -7.1 20 21 A K H 3<5S+ 0 0 103 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.753 102.7 48.1 -65.7 -30.1 4.8 -11.3 -4.8 21 22 A Y T X<5S- 0 0 40 -4,-0.9 3,-0.6 -3,-0.8 -1,-0.3 -0.029 127.7 -98.9 -98.5 27.4 1.9 -11.5 -2.4 22 23 A N T < 5 - 0 0 135 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.840 68.2 -67.3 61.7 36.4 -0.5 -12.1 -5.3 23 24 A S T 3 - 0 0 68 -3,-0.6 4,-1.8 -6,-0.5 3,-0.2 -0.898 36.6-168.3-122.2 109.2 -3.3 -8.6 -2.1 25 26 A S H > S+ 0 0 49 -2,-0.6 4,-2.7 1,-0.2 5,-0.1 0.761 86.1 55.6 -62.0 -34.4 -3.2 -5.5 0.1 26 27 A S H > S+ 0 0 87 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.892 106.4 48.8 -69.9 -43.1 -4.5 -7.3 3.3 27 28 A K H > S+ 0 0 116 -3,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.953 115.6 46.3 -59.9 -46.3 -1.7 -9.9 3.3 28 29 A I H X S+ 0 0 1 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.940 112.6 49.7 -63.4 -43.7 0.8 -7.2 2.8 29 30 A T H X S+ 0 0 41 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.950 114.7 41.9 -63.1 -50.5 -0.7 -5.0 5.5 30 31 A T H X S+ 0 0 78 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.915 113.6 53.6 -64.0 -39.6 -0.8 -7.7 8.1 31 32 A T H X S+ 0 0 35 -4,-2.9 4,-1.6 -5,-0.3 3,-0.4 0.985 113.4 43.5 -56.4 -53.9 2.6 -9.0 7.1 32 33 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.759 110.2 56.0 -61.1 -34.4 4.1 -5.4 7.6 33 34 A K H X S+ 0 0 97 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.881 104.9 51.1 -69.0 -39.4 2.2 -4.8 10.8 34 35 A A H X S+ 0 0 45 -4,-2.1 4,-1.7 -3,-0.4 -2,-0.2 0.942 112.4 47.2 -60.4 -48.5 3.6 -7.9 12.6 35 36 A R H X S+ 0 0 5 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.897 112.2 49.8 -60.5 -44.0 7.2 -6.8 11.6 36 37 A V H X S+ 0 0 9 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.887 106.4 55.8 -64.7 -36.8 6.5 -3.3 12.8 37 38 A N H X S+ 0 0 109 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.885 108.2 48.5 -62.8 -36.3 5.1 -4.6 16.1 38 39 A I H X S+ 0 0 41 -4,-1.7 4,-1.8 1,-0.2 3,-0.2 0.880 105.9 57.5 -68.9 -36.5 8.4 -6.4 16.6 39 40 A M H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.895 101.6 57.1 -58.2 -43.9 10.3 -3.2 15.8 40 41 A N H X S+ 0 0 57 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.864 105.2 49.4 -55.1 -44.8 8.5 -1.4 18.6 41 42 A A H < S+ 0 0 52 -4,-1.1 4,-0.4 -3,-0.2 3,-0.4 0.889 109.1 53.4 -62.6 -40.6 9.7 -3.9 21.2 42 43 A I H >< S+ 0 0 3 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.940 114.4 41.9 -61.3 -42.8 13.3 -3.6 19.9 43 44 A Y H ><>S+ 0 0 1 -4,-2.2 5,-1.8 1,-0.2 3,-1.0 0.566 87.7 85.9 -84.0 -12.4 13.1 0.2 20.4 44 45 A S G ><5S+ 0 0 82 -4,-1.1 3,-0.6 -3,-0.4 -1,-0.2 0.753 84.4 61.2 -65.5 -18.3 11.3 0.7 23.7 45 46 A S G < 5S+ 0 0 78 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.827 102.3 50.7 -75.0 -30.8 14.6 0.4 25.6 46 47 A L G < 5S- 0 0 1 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.482 118.0-119.0 -79.6 -5.7 15.9 3.5 23.8 47 48 A N T < 5 + 0 0 58 -3,-0.6 -42,-2.2 -4,-0.3 2,-0.5 0.795 69.2 141.7 67.9 33.0 12.7 5.1 24.9 48 49 A L E < -a 5 0A 4 -5,-1.8 2,-0.4 -44,-0.2 -1,-0.2 -0.925 41.0-151.7-113.2 120.5 11.8 5.6 21.3 49 50 A V E -a 6 0A 73 -44,-2.5 -42,-2.9 -2,-0.5 2,-0.5 -0.721 4.7-155.1 -91.8 132.0 8.2 5.1 20.0 50 51 A I E -a 7 0A 7 -2,-0.4 2,-0.4 -44,-0.2 -42,-0.2 -0.919 13.7-178.0-107.5 130.7 7.6 4.0 16.4 51 52 A T E -a 8 0A 48 -44,-2.7 -42,-3.1 -2,-0.5 2,-0.6 -0.973 27.2-125.4-127.4 141.4 4.2 4.9 14.8 52 53 A L E -a 9 0A 59 -2,-0.4 -42,-0.2 -44,-0.2 3,-0.1 -0.779 17.3-171.3 -89.0 117.1 3.1 4.0 11.4 53 54 A S E - 0 0 42 -44,-2.5 2,-0.3 -2,-0.6 -43,-0.2 0.712 65.6 -65.3 -77.1 -19.4 2.1 7.2 9.5 54 55 A G E -a 10 0A 22 -45,-0.9 -43,-2.3 -3,-0.1 2,-0.4 -0.937 41.0-103.6 157.9 178.8 0.8 4.8 6.8 55 56 A I E -a 11 0A 43 -2,-0.3 2,-0.4 -45,-0.2 -43,-0.2 -0.973 28.3-167.0-138.4 116.2 1.5 2.2 4.2 56 57 A E E -a 12 0A 36 -45,-2.8 -43,-3.2 -2,-0.4 2,-0.4 -0.912 4.6-159.8-106.5 141.9 1.5 3.1 0.5 57 58 A M E -a 13 0A 36 -2,-0.4 2,-2.0 -45,-0.2 3,-0.2 -0.958 19.8-138.3-123.1 130.6 1.6 0.5 -2.2 58 59 A W + 0 0 8 -45,-2.9 -40,-0.2 -2,-0.4 -46,-0.0 -0.554 39.0 163.6 -89.0 77.8 2.6 1.0 -5.8 59 60 A S S S+ 0 0 69 -2,-2.0 -1,-0.2 1,-0.1 3,-0.1 0.772 70.1 29.3 -62.3 -37.2 -0.3 -1.1 -7.1 60 61 A A S S- 0 0 88 1,-0.4 2,-0.3 -3,-0.2 -1,-0.1 0.868 130.4 -21.5 -95.4 -46.3 -0.2 -0.0 -10.7 61 62 A A S S- 0 0 58 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.976 72.0 -86.6-161.7 159.3 3.4 0.9 -11.4 62 63 A D - 0 0 59 -2,-0.3 -48,-0.1 1,-0.1 -3,-0.0 -0.535 24.5-146.1 -74.1 137.7 6.6 1.9 -9.6 63 64 A L S S+ 0 0 82 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.577 87.3 25.0 -79.6 -10.0 7.0 5.6 -8.9 64 65 A I S S- 0 0 23 16,-0.0 2,-0.8 0, 0.0 9,-0.0 -0.932 98.3 -92.6-143.6 162.2 10.7 5.2 -9.4 65 66 A T - 0 0 92 -2,-0.3 2,-0.9 1,-0.0 11,-0.1 -0.739 40.5-146.2 -80.0 111.5 12.9 2.7 -11.2 66 67 A V - 0 0 26 -2,-0.8 2,-0.3 10,-0.1 4,-0.1 -0.758 21.5-166.9 -84.4 106.7 13.7 0.1 -8.6 67 68 A Q - 0 0 78 -2,-0.9 6,-0.2 2,-0.2 33,-0.0 -0.706 32.2-129.5 -98.7 148.7 17.2 -1.1 -9.4 68 69 A S S S+ 0 0 46 -2,-0.3 35,-3.2 34,-0.1 2,-1.2 0.658 92.6 90.2 -65.8 -18.0 19.1 -4.2 -8.0 69 70 A S S >> S- 0 0 30 33,-0.2 4,-1.9 1,-0.2 3,-0.7 -0.739 70.8-157.9 -82.5 100.9 21.9 -1.8 -7.3 70 71 A S H 3> S+ 0 0 7 -2,-1.2 4,-2.5 1,-0.2 5,-0.2 0.817 85.2 60.3 -46.2 -44.3 21.0 -0.8 -3.8 71 72 A R H 3> S+ 0 0 156 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.878 108.1 42.7 -53.2 -47.7 23.0 2.5 -3.9 72 73 A N H <> S+ 0 0 72 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.937 113.8 51.5 -66.5 -48.9 21.0 3.9 -6.9 73 74 A T H X S+ 0 0 0 -4,-1.9 4,-3.2 -6,-0.2 5,-0.2 0.883 106.5 53.0 -59.0 -42.9 17.7 2.8 -5.5 74 75 A L H X S+ 0 0 5 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.935 114.1 44.0 -60.1 -41.0 18.3 4.4 -2.1 75 76 A K H X S+ 0 0 116 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.809 113.9 48.8 -70.4 -39.6 19.1 7.7 -3.8 76 77 A L H X S+ 0 0 61 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.927 114.0 48.2 -65.3 -44.5 16.2 7.4 -6.2 77 78 A F H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.925 109.5 50.1 -62.3 -49.5 13.9 6.7 -3.3 78 79 A A H X S+ 0 0 3 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.855 111.4 49.8 -58.2 -36.9 15.0 9.5 -1.1 79 80 A S H X S+ 0 0 65 -4,-1.3 4,-2.4 2,-0.2 5,-0.2 0.912 110.4 49.4 -68.5 -43.8 14.6 12.0 -3.9 80 81 A W H X>S+ 0 0 20 -4,-2.1 4,-1.6 1,-0.2 5,-1.4 0.832 109.1 53.3 -65.0 -33.1 11.1 10.8 -4.6 81 82 A R H <>S+ 0 0 3 -4,-2.1 5,-2.7 3,-0.2 -1,-0.2 0.884 111.4 47.0 -68.1 -39.7 10.3 11.0 -0.9 82 83 A E H <5S+ 0 0 70 -4,-1.8 -2,-0.2 37,-0.2 -3,-0.1 0.981 121.6 32.4 -64.5 -55.9 11.4 14.7 -0.9 83 84 A T H <5S+ 0 0 78 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.583 136.6 12.9 -80.4 -16.4 9.6 15.9 -4.0 84 85 A D T >X5S+ 0 0 46 -4,-1.6 3,-1.5 -5,-0.2 4,-0.8 0.606 120.9 44.9-125.1 -70.9 6.5 13.7 -3.8 85 86 A L H >> S- 0 0 96 -35,-3.2 3,-0.8 -2,-0.1 -33,-0.2 -0.265 88.0 -10.4 -59.2 139.3 23.2 -7.0 -6.1 104 105 A G T 3 S- 0 0 61 1,-0.2 -2,-0.0 -3,-0.1 -35,-0.0 -0.250 120.3 -26.7 74.6-151.9 25.7 -8.8 -3.9 105 106 A N T 3 S+ 0 0 164 -2,-0.0 -1,-0.2 2,-0.0 2,-0.1 0.637 97.7 120.1 -75.8 -15.0 25.3 -9.6 -0.2 106 107 A T < + 0 0 46 -3,-0.8 -4,-0.4 1,-0.1 3,-0.1 -0.301 25.6 163.9 -69.4 131.9 23.0 -6.6 0.5 107 108 A V S S+ 0 0 47 1,-0.3 19,-3.0 -2,-0.1 2,-0.3 0.330 72.5 4.3-118.5 2.0 19.4 -6.9 1.9 108 109 A G E -D 125 0A 9 17,-0.2 2,-0.3 33,-0.0 -1,-0.3 -0.965 58.5-167.8-174.8 164.3 18.8 -3.3 3.1 109 110 A L E +D 124 0A 29 15,-2.1 15,-2.9 -2,-0.3 2,-0.3 -0.971 7.5 170.9-165.3 146.4 20.5 0.1 3.1 110 111 A A E -D 123 0A 16 -2,-0.3 2,-0.4 13,-0.3 13,-0.2 -0.902 37.5 -99.5-148.8 172.9 20.0 3.6 4.7 111 112 A Y > - 0 0 48 11,-1.1 3,-0.7 9,-0.3 2,-0.3 -0.860 45.4-111.6 -98.7 141.0 21.9 7.0 5.1 112 113 A L T 3 S- 0 0 78 -2,-0.4 34,-0.3 1,-0.2 33,-0.1 -0.591 86.3 -7.6 -81.7 134.3 23.8 7.4 8.3 113 114 A K T 3 S+ 0 0 47 32,-2.7 -1,-0.2 -2,-0.3 33,-0.2 0.797 92.2 121.3 55.0 44.8 22.6 10.0 10.8 114 115 A T X + 0 0 22 -3,-0.7 3,-2.2 6,-0.2 6,-0.2 0.226 25.6 147.9-118.2 10.4 19.9 11.6 8.7 115 116 A M T 3 S+ 0 0 10 31,-2.3 -22,-0.1 1,-0.3 79,-0.1 -0.234 75.9 13.5 -50.3 131.9 16.7 11.0 10.8 116 117 A a T 3 S+ 0 0 34 -24,-1.3 -1,-0.3 1,-0.2 2,-0.3 0.074 91.4 137.6 86.9 -19.6 14.3 13.9 10.2 117 118 A N <> - 0 0 65 -3,-2.2 4,-2.2 1,-0.1 -1,-0.2 -0.406 53.0-142.1 -65.1 129.1 16.1 15.2 7.1 118 119 A S T 4 S+ 0 0 78 -2,-0.3 -1,-0.1 1,-0.2 -32,-0.1 0.682 100.6 31.9 -59.9 -28.5 13.9 16.2 4.2 119 120 A K T 4 S+ 0 0 107 -5,-0.1 -1,-0.2 -37,-0.1 -37,-0.2 0.753 130.7 28.4 -97.8 -35.9 16.2 14.8 1.7 120 121 A Y T 4 S+ 0 0 107 -6,-0.2 2,-2.0 1,-0.1 -9,-0.3 0.335 73.7 112.0-115.1 7.4 17.9 11.9 3.5 121 122 A S < + 0 0 0 -4,-2.2 -27,-1.5 -43,-0.1 2,-0.3 -0.541 61.3 109.3 -83.3 73.7 15.6 10.3 6.1 122 123 A V E -c 94 0A 0 -2,-2.0 -11,-1.1 -29,-0.2 2,-0.3 -0.984 43.6-169.6-146.7 163.1 15.1 7.0 4.2 123 124 A G E -cD 95 110A 0 -29,-1.6 -27,-2.1 -2,-0.3 2,-0.4 -0.933 15.1-138.1-148.8 164.3 15.9 3.3 4.1 124 125 A L E -cD 96 109A 0 -15,-2.9 -15,-2.1 -2,-0.3 2,-0.4 -0.981 17.4-171.8-129.2 135.3 15.6 0.4 1.7 125 126 A I E -cD 97 108A 0 -29,-2.3 -27,-2.4 -2,-0.4 2,-0.4 -0.996 14.4-148.9-138.2 126.6 14.6 -3.1 2.7 126 127 A Q E -c 98 0A 19 -19,-3.0 2,-2.7 -2,-0.4 -27,-0.2 -0.805 25.3-127.2 -89.1 129.5 14.6 -6.3 0.6 127 128 A D + 0 0 9 -29,-3.3 -30,-0.0 -2,-0.4 -1,-0.0 -0.521 56.9 148.9 -74.1 72.5 11.8 -8.7 1.6 128 129 A H + 0 0 54 -2,-2.7 2,-0.3 -21,-0.2 -1,-0.2 0.437 49.6 47.1 -90.1 -6.9 14.5 -11.4 2.0 129 130 A S - 0 0 20 -3,-0.2 -1,-0.1 1,-0.1 6,-0.0 -0.996 53.5-154.8-142.0 144.8 12.9 -13.5 4.8 130 131 A A S S+ 0 0 96 -2,-0.3 -1,-0.1 5,-0.0 3,-0.0 0.652 78.0 94.2 -87.1 -17.5 9.6 -15.1 5.7 131 132 A I >> - 0 0 99 1,-0.2 4,-1.9 2,-0.1 3,-0.9 -0.635 69.0-151.9 -80.3 110.3 10.6 -15.0 9.4 132 133 A P H 3> S+ 0 0 58 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.777 93.3 57.3 -52.7 -33.1 9.1 -11.7 10.8 133 134 A L H 3> S+ 0 0 51 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.891 107.5 49.3 -67.4 -38.0 11.8 -11.4 13.5 134 135 A L H <> S+ 0 0 12 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.945 114.4 43.9 -65.1 -45.1 14.4 -11.5 10.8 135 136 A M H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 5,-0.2 0.951 112.1 52.7 -64.3 -43.9 12.6 -8.8 8.8 136 137 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.826 110.2 48.8 -59.9 -33.6 11.9 -6.7 11.9 137 138 A V H X S+ 0 0 4 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.887 110.1 51.4 -75.8 -35.1 15.6 -6.8 12.7 138 139 A T H X S+ 0 0 8 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.957 113.6 44.4 -65.7 -44.8 16.4 -5.8 9.1 139 140 A M H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 5,-0.2 0.918 113.9 49.1 -63.6 -44.1 14.0 -2.8 9.4 140 141 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.816 107.7 58.0 -64.9 -33.1 15.3 -1.9 12.8 141 142 A H H X S+ 0 0 23 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.853 108.7 41.5 -64.4 -46.0 18.9 -2.1 11.5 142 143 A E H X S+ 0 0 13 -4,-1.6 4,-1.9 2,-0.2 5,-0.2 0.890 114.5 51.9 -72.3 -39.1 18.5 0.5 8.7 143 144 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.894 105.2 57.6 -62.2 -37.9 16.5 2.7 11.0 144 145 A G H <>S+ 0 0 0 -4,-1.8 5,-2.6 1,-0.2 -1,-0.2 0.876 104.2 52.2 -59.1 -36.3 19.4 2.3 13.4 145 146 A H H ><5S+ 0 0 26 -4,-1.1 -32,-2.7 3,-0.2 3,-1.9 0.932 106.5 50.8 -65.0 -45.0 21.7 3.7 10.7 146 147 A N H 3<5S+ 0 0 0 -4,-1.9 -31,-2.3 1,-0.3 -1,-0.2 0.790 107.6 56.7 -60.9 -31.0 19.5 6.9 10.1 147 148 A L T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.2 39,-0.2 0.074 130.8 -95.3 -86.1 17.4 19.7 7.4 13.9 148 149 A G T < 5S+ 0 0 4 -3,-1.9 2,-0.3 -37,-0.2 -3,-0.2 0.577 72.8 147.6 83.1 14.0 23.5 7.4 13.7 149 150 A M < - 0 0 0 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.2 -0.656 29.0-159.7 -92.6 137.4 24.5 3.8 14.5 150 151 A N - 0 0 91 -2,-0.3 32,-0.1 1,-0.1 2,-0.1 -0.503 37.7 -81.0 -95.2 174.6 27.5 2.1 13.0 151 152 A H - 0 0 88 -2,-0.2 2,-0.5 1,-0.1 13,-0.2 -0.386 49.9 -98.6 -77.1 154.5 28.0 -1.6 12.8 152 153 A D - 0 0 11 11,-1.8 2,-0.2 9,-0.1 -1,-0.1 -0.653 38.5-150.1 -74.3 118.5 29.2 -3.5 15.9 153 154 A G > - 0 0 39 -2,-0.5 3,-1.0 1,-0.1 5,-0.3 -0.650 33.4-101.8 -86.5 154.2 32.9 -4.1 15.5 154 155 A A G > S+ 0 0 110 1,-0.3 3,-1.2 -2,-0.2 2,-1.0 0.851 125.4 65.3 -43.3 -35.9 34.3 -7.3 17.1 155 156 A G G 3 S+ 0 0 80 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 -0.152 82.9 79.6 -81.7 39.2 35.5 -4.9 19.8 156 157 A b G < S- 0 0 20 -3,-1.0 21,-0.5 -2,-1.0 22,-0.3 0.323 98.1-123.2-121.3 -4.5 31.8 -4.1 20.7 157 158 A S S < S+ 0 0 125 -3,-1.2 2,-0.3 -4,-0.2 -2,-0.1 0.766 81.3 83.3 64.0 33.3 31.1 -7.2 22.8 158 159 A c + 0 0 36 -5,-0.3 -2,-0.1 -4,-0.2 -1,-0.1 -0.879 38.2 172.4-165.1 130.1 28.1 -8.4 20.8 159 160 A A S S+ 0 0 82 -2,-0.3 -1,-0.1 5,-0.1 -5,-0.0 0.396 87.3 44.0-116.6 -4.9 27.8 -10.4 17.6 160 161 A T S S+ 0 0 58 11,-0.1 12,-2.9 7,-0.0 14,-0.3 0.196 83.7 118.3-125.5 10.5 24.1 -10.9 17.5 161 162 A c S > S- 0 0 13 10,-0.2 3,-2.0 12,-0.1 14,-0.2 -0.259 83.3 -93.0 -74.4 166.0 22.9 -7.4 18.4 162 163 A I T 3 S+ 0 0 3 12,-3.3 13,-0.1 1,-0.3 -21,-0.1 0.892 123.4 50.2 -47.1 -45.1 20.8 -5.4 16.1 163 164 A M T 3 S+ 0 0 0 11,-0.2 -11,-1.8 -13,-0.1 -1,-0.3 0.224 74.2 137.6 -87.1 18.2 23.8 -3.6 14.5 164 165 A A < - 0 0 12 -3,-2.0 -11,-0.1 -13,-0.2 -5,-0.1 -0.382 63.4-120.8 -60.2 142.1 25.7 -6.7 13.7 165 166 A P S S+ 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.712 92.6 29.1 -58.1 -34.1 27.2 -6.4 10.2 166 167 A V S S- 0 0 118 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.966 98.4 -91.0-131.2 148.3 25.6 -9.5 8.7 167 168 A L - 0 0 72 -2,-0.3 2,-0.4 1,-0.0 -5,-0.1 -0.445 31.7-151.6 -66.9 126.7 22.3 -11.1 9.7 168 169 A S - 0 0 41 -2,-0.2 -1,-0.0 -7,-0.1 -4,-0.0 -0.812 13.6-137.9 -94.6 131.5 22.3 -13.8 12.3 169 170 A S S S+ 0 0 112 -2,-0.4 -1,-0.1 1,-0.3 -35,-0.1 0.711 105.3 38.5 -62.4 -20.5 19.5 -16.5 12.0 170 171 A G S S+ 0 0 59 -36,-0.0 -1,-0.3 2,-0.0 -36,-0.0 -0.552 90.7 177.9-128.2 67.4 19.0 -16.4 15.8 171 172 A P - 0 0 20 0, 0.0 2,-0.2 0, 0.0 -10,-0.2 -0.212 28.2-123.5 -70.2 158.1 19.4 -12.6 16.5 172 173 A A - 0 0 31 -12,-2.9 -4,-0.1 2,-0.2 -2,-0.0 -0.568 16.2-131.9 -90.9 164.1 19.0 -10.8 19.8 173 174 A K S S+ 0 0 117 -2,-0.2 2,-0.3 -12,-0.1 -12,-0.1 -0.013 74.1 111.1-103.9 27.0 16.5 -8.0 19.9 174 175 A S - 0 0 70 -14,-0.3 -12,-3.3 -129,-0.0 2,-0.5 -0.758 64.4-135.6-112.0 153.2 19.2 -5.9 21.6 175 176 A F - 0 0 14 -2,-0.3 5,-0.1 -14,-0.2 -2,-0.1 -0.856 31.8-124.8 -99.9 126.3 21.4 -2.9 20.8 176 177 A S > - 0 0 6 -2,-0.5 4,-1.8 1,-0.1 5,-0.1 -0.078 28.3-102.4 -62.3 173.9 25.0 -3.2 21.8 177 178 A D H > S+ 0 0 124 -21,-0.5 4,-1.4 1,-0.2 -1,-0.1 0.656 125.2 57.9 -73.3 -17.1 26.7 -0.6 24.1 178 179 A b H > S+ 0 0 34 -22,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.879 104.7 49.6 -77.9 -41.3 28.3 0.8 20.9 179 180 A S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.891 108.4 52.9 -65.3 -39.0 24.9 1.3 19.4 180 181 A K H X S+ 0 0 46 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.923 111.6 47.1 -61.5 -43.8 23.7 3.1 22.6 181 182 A H H X S+ 0 0 129 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.854 109.0 51.7 -64.6 -42.3 26.7 5.4 22.4 182 183 A D H X S+ 0 0 40 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.921 112.2 49.6 -61.0 -41.4 26.3 6.2 18.8 183 184 A Y H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.858 109.9 47.7 -66.5 -39.4 22.7 7.1 19.6 184 185 A Q H X S+ 0 0 109 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.929 112.9 51.0 -67.7 -40.0 23.6 9.3 22.5 185 186 A S H X S+ 0 0 61 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.858 109.5 50.3 -61.9 -37.8 26.1 11.0 20.2 186 187 A F H X>S+ 0 0 2 -4,-2.1 4,-1.8 -39,-0.2 5,-0.8 0.883 111.2 48.8 -70.1 -37.8 23.5 11.5 17.5 187 188 A L H X5S+ 0 0 23 -4,-2.0 4,-1.2 3,-0.2 -2,-0.2 0.958 120.3 34.8 -66.0 -49.8 21.1 13.0 19.9 188 189 A T H <5S+ 0 0 88 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.919 127.0 37.2 -74.8 -41.7 23.6 15.5 21.4 189 190 A I H <5S+ 0 0 103 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.829 127.9 30.7 -81.4 -37.1 25.6 16.2 18.3 190 191 A H H <5S- 0 0 92 -4,-1.8 -3,-0.2 -5,-0.4 3,-0.2 0.771 82.9-153.4 -92.6 -27.4 22.8 16.2 15.6 191 192 A K << - 0 0 144 -4,-1.2 2,-0.6 -5,-0.8 -4,-0.1 0.961 10.8-156.2 54.1 59.3 19.9 17.5 17.7 192 193 A P - 0 0 10 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 -0.551 10.4-171.8 -67.2 115.1 17.1 15.8 15.6 193 194 A Q S > S+ 0 0 123 -2,-0.6 3,-1.8 -3,-0.2 -77,-0.1 0.916 72.5 61.1 -77.7 -39.2 14.1 18.0 16.4 194 195 A a T 3 S+ 0 0 30 1,-0.3 3,-0.2 -79,-0.1 -1,-0.2 0.785 98.5 58.8 -59.2 -29.5 11.3 16.0 14.7 195 196 A L T 3 S+ 0 0 0 1,-0.2 -189,-2.5 -80,-0.1 2,-0.9 0.640 90.1 72.5 -76.9 -16.4 11.9 13.0 16.9 196 197 A L < 0 0 73 -3,-1.8 -1,-0.2 -4,-0.3 -191,-0.1 -0.487 360.0 360.0 -95.7 59.1 11.3 15.0 20.1 197 198 A N 0 0 141 -2,-0.9 -191,-0.1 -3,-0.2 -3,-0.0 -0.959 360.0 360.0 166.4 360.0 7.5 15.3 19.5