==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 15-NOV-05 2F1S . COMPND 2 MOLECULE: VIRAL CASP8 AND FADD-LIKE APOPTOSIS REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: MOLLUSCUM CONTAGIOSUM VIRUS SUBTYPE 1; . AUTHOR F.-Y.LI,P.D.JEFFREY,J.W.YU,Y.SHI . 177 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 3 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 51.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.8 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 1 0 0 2 1 5 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 7 A V 0 0 112 0, 0.0 49,-0.1 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 -60.1 -8.1 42.0 25.9 2 8 A P - 0 0 30 0, 0.0 47,-0.0 0, 0.0 2,-0.0 -0.361 360.0-104.5 -63.6 143.6 -9.8 38.6 25.6 3 9 A S > - 0 0 64 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.314 18.5-122.3 -69.7 150.8 -8.9 36.2 28.4 4 10 A L H > S+ 0 0 39 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.896 111.5 53.9 -57.6 -45.5 -6.5 33.3 27.8 5 11 A P H > S+ 0 0 84 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.914 111.9 46.3 -57.8 -39.3 -9.1 30.6 28.9 6 12 A F H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.948 114.2 47.2 -65.7 -50.3 -11.5 32.0 26.4 7 13 A L H X S+ 0 0 3 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.883 112.8 48.9 -58.4 -47.6 -8.9 32.2 23.6 8 14 A R H X S+ 0 0 94 -4,-3.2 4,-1.1 2,-0.2 -1,-0.2 0.892 107.4 52.8 -60.1 -44.8 -7.7 28.7 24.3 9 15 A H H >< S+ 0 0 105 -4,-2.1 3,-0.6 -5,-0.3 4,-0.3 0.908 106.9 56.1 -58.8 -36.2 -11.2 27.2 24.3 10 16 A L H >< S+ 0 0 12 -4,-2.0 3,-1.7 1,-0.2 -1,-0.3 0.900 100.6 59.5 -57.8 -43.1 -11.5 28.9 20.9 11 17 A L H >< S+ 0 0 17 -4,-1.4 3,-2.0 1,-0.3 -1,-0.2 0.701 87.1 71.6 -58.0 -33.9 -8.3 26.9 19.8 12 18 A E T << S+ 0 0 152 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.684 89.7 65.8 -58.4 -19.7 -9.9 23.6 20.3 13 19 A E T < S+ 0 0 82 -3,-1.7 -1,-0.3 -4,-0.3 2,-0.2 0.638 86.0 85.5 -79.9 -12.7 -11.9 24.5 17.3 14 20 A L S < S- 0 0 18 -3,-2.0 2,-0.1 -4,-0.1 -3,-0.0 -0.636 70.2-138.3 -89.1 147.9 -8.9 24.4 14.9 15 21 A D > - 0 0 86 -2,-0.2 4,-2.4 1,-0.0 5,-0.2 -0.334 37.8 -89.2 -91.9 179.7 -7.6 21.3 13.2 16 22 A S H > S+ 0 0 84 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.823 126.1 52.8 -62.0 -36.1 -3.9 20.5 12.8 17 23 A H H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.954 111.4 46.5 -64.3 -49.0 -3.6 22.3 9.5 18 24 A E H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.881 108.5 56.3 -60.3 -39.2 -5.1 25.5 11.0 19 25 A D H X S+ 0 0 47 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.921 107.2 49.4 -57.5 -43.7 -2.8 25.2 14.0 20 26 A S H X S+ 0 0 15 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.897 110.2 50.8 -64.1 -41.1 0.2 25.1 11.7 21 27 A L H X S+ 0 0 7 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.910 111.6 47.6 -62.4 -42.0 -1.0 28.2 9.9 22 28 A L H X S+ 0 0 11 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.930 109.3 52.0 -65.2 -43.6 -1.5 30.0 13.1 23 29 A L H < S+ 0 0 43 -4,-2.7 3,-0.2 1,-0.2 -1,-0.2 0.910 110.6 50.2 -59.6 -40.4 2.0 29.1 14.4 24 30 A F H >< S+ 0 0 4 -4,-2.3 3,-2.1 1,-0.2 4,-0.3 0.943 107.5 52.7 -62.0 -42.7 3.4 30.4 11.1 25 31 A L H 3< S+ 0 0 4 -4,-2.4 3,-0.3 1,-0.3 63,-0.3 0.827 112.8 46.4 -62.4 -27.1 1.5 33.7 11.5 26 32 A C T 3X S+ 0 0 4 -4,-1.6 4,-2.4 -3,-0.2 -1,-0.3 0.275 80.5 110.3 -96.7 12.2 3.0 34.0 15.0 27 33 A H T <4 S+ 0 0 67 -3,-2.1 -1,-0.2 1,-0.2 5,-0.2 0.831 81.5 37.3 -60.9 -39.1 6.5 33.1 13.9 28 34 A D T 4 S+ 0 0 85 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.885 123.2 40.8 -79.8 -38.5 8.1 36.6 14.4 29 35 A A T 4 S+ 0 0 8 1,-0.2 -2,-0.2 -4,-0.2 -1,-0.1 0.682 119.8 40.7 -88.1 -18.8 6.2 37.5 17.6 30 36 A A S >< S- 0 0 5 -4,-2.4 3,-1.3 -7,-0.2 -1,-0.2 -0.616 81.6-168.2-129.8 71.3 6.3 34.2 19.4 31 37 A P T 3 + 0 0 93 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.214 66.8 15.0 -58.5 146.2 9.8 32.9 18.8 32 38 A G T 3 S+ 0 0 79 1,-0.2 2,-0.2 -5,-0.2 -5,-0.1 0.309 86.0 141.9 74.0 -7.4 10.5 29.3 19.7 33 39 A C < + 0 0 35 -3,-1.3 -1,-0.2 -7,-0.2 -3,-0.1 -0.473 26.3 176.8 -75.3 139.1 6.9 28.1 20.1 34 40 A T + 0 0 108 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.417 67.5 47.6-115.8 -6.2 5.9 24.7 18.9 35 41 A T S > S- 0 0 61 1,-0.1 4,-2.1 -12,-0.1 3,-0.2 -0.979 78.7-124.4-133.5 151.5 2.2 24.7 20.0 36 42 A V H > S+ 0 0 18 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.863 112.4 61.7 -63.0 -32.3 -0.5 27.3 19.6 37 43 A T H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.954 106.5 45.4 -55.7 -49.5 -1.0 27.3 23.3 38 44 A Q H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.900 111.4 51.5 -61.2 -45.1 2.6 28.5 23.7 39 45 A A H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.913 111.5 46.3 -62.0 -41.3 2.3 31.1 21.0 40 46 A L H X S+ 0 0 8 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.914 111.1 53.0 -67.1 -39.2 -0.9 32.6 22.5 41 47 A C H X S+ 0 0 36 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.925 110.6 48.6 -58.8 -47.0 0.7 32.6 26.0 42 48 A S H X S+ 0 0 22 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.913 111.2 47.8 -62.1 -42.6 3.6 34.4 24.5 43 49 A L H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 6,-0.8 0.887 109.3 54.7 -67.4 -36.0 1.4 37.0 22.7 44 50 A S H ><5S+ 0 0 63 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.919 105.3 53.4 -58.7 -46.4 -0.6 37.5 25.9 45 51 A Q H 3<5S+ 0 0 157 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.759 112.1 45.3 -59.0 -27.7 2.7 38.3 27.8 46 52 A Q T 3<5S- 0 0 66 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.433 110.5-118.0 -98.1 1.5 3.5 40.9 25.2 47 53 A R T < 5S+ 0 0 212 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.840 83.9 118.6 62.6 32.1 0.0 42.6 25.1 48 54 A K < + 0 0 72 -5,-2.8 2,-1.5 -6,-0.1 38,-0.4 0.533 42.5 88.7-103.1 -11.3 -0.1 41.5 21.5 49 55 A L + 0 0 7 -6,-0.8 2,-0.1 -9,-0.1 -1,-0.1 -0.581 60.7 154.7 -91.9 76.6 -3.2 39.3 21.7 50 56 A T > - 0 0 51 -2,-1.5 4,-2.2 -49,-0.1 5,-0.2 -0.440 61.4-101.3 -96.9 169.1 -5.9 41.8 21.1 51 57 A L H > S+ 0 0 73 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.936 124.3 53.5 -54.4 -47.2 -9.4 41.5 19.8 52 58 A A H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.893 107.8 49.7 -56.0 -43.6 -8.1 42.8 16.4 53 59 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 112.1 46.6 -65.1 -41.9 -5.3 40.2 16.3 54 60 A L H X S+ 0 0 7 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.911 112.6 49.9 -64.6 -43.6 -7.6 37.3 17.0 55 61 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.931 111.0 49.6 -61.4 -44.9 -10.2 38.5 14.5 56 62 A E H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.908 109.6 51.9 -60.7 -42.7 -7.5 38.8 11.9 57 63 A M H X S+ 0 0 4 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.943 112.6 44.7 -56.7 -51.6 -6.2 35.2 12.6 58 64 A L H <>S+ 0 0 6 -4,-2.5 5,-2.6 2,-0.2 4,-0.3 0.900 112.4 52.8 -61.9 -36.8 -9.6 33.8 12.2 59 65 A Y H ><5S+ 0 0 45 -4,-2.5 3,-1.7 -5,-0.2 -2,-0.2 0.950 109.1 48.2 -63.4 -46.4 -10.2 35.8 9.1 60 66 A V H 3<5S+ 0 0 13 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.868 111.3 51.1 -63.4 -33.0 -7.0 34.5 7.5 61 67 A L T 3<5S- 0 0 14 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.475 112.0-124.8 -81.3 -1.2 -8.0 31.0 8.5 62 68 A Q T < 5 + 0 0 115 -3,-1.7 2,-1.4 -4,-0.3 3,-0.3 0.806 59.2 149.3 61.9 30.1 -11.4 31.6 6.8 63 69 A R >< + 0 0 37 -5,-2.6 4,-2.0 1,-0.2 3,-0.3 -0.538 3.6 155.0 -95.0 69.7 -13.2 30.7 10.0 64 70 A M H > + 0 0 47 -2,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.786 69.1 63.8 -68.9 -23.0 -16.2 32.9 9.5 65 71 A D H > S+ 0 0 75 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.908 106.0 43.8 -62.9 -44.8 -18.2 30.6 11.8 66 72 A L H >>S+ 0 0 2 -3,-0.3 4,-2.5 2,-0.2 5,-0.6 0.845 108.0 58.2 -72.0 -33.3 -15.9 31.4 14.7 67 73 A L H X5S+ 0 0 0 -4,-2.0 6,-2.2 2,-0.2 4,-1.3 0.920 112.9 41.6 -60.7 -40.8 -15.9 35.1 13.9 68 74 A K H X5S+ 0 0 139 -4,-1.8 4,-1.6 4,-0.3 -2,-0.2 0.965 118.8 42.5 -69.4 -51.4 -19.7 35.0 14.3 69 75 A S H <5S+ 0 0 75 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.826 126.1 29.3 -71.0 -30.9 -19.9 32.8 17.3 70 76 A R H <5S+ 0 0 56 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.741 136.9 18.9 -99.8 -25.7 -17.1 34.3 19.3 71 77 A F H < - 0 0 62 -2,-0.5 4,-2.4 -3,-0.1 5,-0.2 -0.347 45.2 -93.1 -77.6 174.3 -19.6 39.1 9.8 75 81 A K H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.921 129.7 47.8 -55.7 -43.0 -16.9 38.8 7.2 76 82 A E H > S+ 0 0 119 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.885 108.4 53.6 -71.0 -37.3 -17.2 42.6 6.5 77 83 A G H 4 S+ 0 0 23 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.915 111.7 47.0 -59.9 -41.5 -17.1 43.4 10.2 78 84 A A H >X S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 4,-0.6 0.893 103.9 60.6 -67.5 -38.3 -13.9 41.4 10.4 79 85 A E H >< S+ 0 0 69 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.814 93.6 66.6 -62.6 -25.4 -12.4 43.1 7.3 80 86 A Q T 3< S+ 0 0 155 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.704 102.6 47.0 -67.3 -16.6 -12.7 46.4 9.2 81 87 A L T X4 S+ 0 0 44 -3,-2.1 3,-1.4 -4,-0.3 -1,-0.2 0.511 81.7 120.7-103.0 -2.9 -10.0 45.1 11.7 82 88 A L T << S+ 0 0 53 -3,-0.8 -29,-0.1 -4,-0.6 -30,-0.0 -0.293 74.8 20.8 -66.7 140.4 -7.4 43.8 9.2 83 89 A G T 3 S+ 0 0 56 -31,-0.1 -1,-0.2 -30,-0.1 6,-0.1 0.567 95.0 101.9 81.9 12.5 -4.0 45.4 9.4 84 90 A T S < S+ 0 0 87 -3,-1.4 2,-0.2 -32,-0.1 -31,-0.2 0.116 71.8 56.2-115.0 19.7 -4.4 46.7 12.9 85 91 A S S S- 0 0 28 2,-0.3 -36,-0.1 -33,-0.2 -37,-0.0 -0.698 101.6 -79.4-133.8-170.9 -2.4 44.1 14.8 86 92 A F S S+ 0 0 49 -38,-0.4 -37,-0.1 -2,-0.2 -38,-0.0 0.731 92.6 109.7 -65.3 -20.1 1.1 42.5 15.0 87 93 A L - 0 0 10 1,-0.1 -2,-0.3 4,-0.1 2,-0.3 -0.308 63.5-138.4 -61.6 138.8 0.2 40.3 12.0 88 94 A T > - 0 0 57 -63,-0.3 4,-2.4 1,-0.1 5,-0.3 -0.663 18.4-124.3-103.6 156.4 2.1 41.2 8.9 89 95 A R H > S+ 0 0 166 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.900 112.2 56.4 -57.4 -41.8 1.2 41.5 5.3 90 96 A Y H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.953 110.7 39.5 -56.2 -54.0 4.0 39.1 4.5 91 97 A R H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 115.9 50.6 -70.7 -37.6 2.9 36.2 6.7 92 98 A K H X S+ 0 0 33 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.923 110.6 51.2 -63.4 -40.3 -0.8 36.7 5.9 93 99 A L H X S+ 0 0 29 -4,-2.5 4,-3.0 -5,-0.3 5,-0.3 0.913 107.5 52.4 -64.2 -42.0 0.0 36.6 2.2 94 100 A M H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.907 110.2 48.0 -61.2 -41.1 2.0 33.4 2.5 95 101 A V H X S+ 0 0 1 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.953 113.6 47.3 -63.2 -45.1 -0.8 31.7 4.3 96 102 A C H < S+ 0 0 57 -4,-2.4 3,-0.4 1,-0.2 4,-0.3 0.924 112.4 48.1 -64.1 -43.5 -3.3 32.8 1.6 97 103 A V H >< S+ 0 0 0 -4,-3.0 3,-2.0 1,-0.2 -1,-0.2 0.912 107.3 57.4 -62.4 -42.9 -1.1 31.8 -1.3 98 104 A G H >< S+ 0 0 11 -4,-2.3 3,-1.2 -5,-0.3 -1,-0.2 0.839 101.0 56.7 -56.0 -32.9 -0.5 28.4 0.3 99 105 A E T 3< S+ 0 0 105 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.496 99.0 61.6 -79.8 -2.8 -4.2 27.8 0.3 100 106 A E T < S+ 0 0 79 -3,-2.0 2,-0.4 -4,-0.3 -1,-0.3 0.299 91.2 87.3 -97.9 4.3 -4.4 28.3 -3.4 101 107 A L < - 0 0 26 -3,-1.2 2,-0.1 -4,-0.1 29,-0.1 -0.862 65.6-145.7-107.8 138.2 -2.0 25.4 -4.1 102 108 A D > - 0 0 88 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.397 36.7 -96.5 -90.6 176.6 -2.9 21.8 -4.6 103 109 A S H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.864 123.5 51.3 -64.2 -35.9 -0.7 18.8 -3.4 104 110 A S H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 110.7 48.5 -66.4 -39.5 0.9 18.4 -6.8 105 111 A E H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.908 111.0 51.0 -65.8 -41.1 1.8 22.1 -7.0 106 112 A L H X S+ 0 0 27 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.895 109.1 50.8 -64.1 -39.5 3.2 21.9 -3.5 107 113 A R H X S+ 0 0 128 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.943 110.4 50.0 -62.5 -43.8 5.3 18.9 -4.5 108 114 A A H X S+ 0 0 22 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.909 110.3 49.9 -59.6 -43.6 6.6 20.7 -7.5 109 115 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.903 109.0 51.0 -64.0 -43.2 7.6 23.7 -5.5 110 116 A R H X S+ 0 0 21 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.905 111.1 49.3 -60.6 -38.5 9.4 21.6 -2.9 111 117 A L H X S+ 0 0 91 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.903 109.4 51.7 -66.6 -40.8 11.4 20.0 -5.8 112 118 A F H X S+ 0 0 52 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.925 110.8 49.0 -61.9 -43.9 12.2 23.4 -7.2 113 119 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 7,-0.2 0.913 112.3 46.4 -62.2 -42.3 13.5 24.5 -3.8 114 120 A C H < S+ 0 0 21 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.798 111.3 51.9 -72.1 -27.0 15.6 21.5 -3.4 115 121 A N H < S+ 0 0 131 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.884 113.2 46.1 -72.6 -38.5 17.0 21.8 -6.9 116 122 A L H < S+ 0 0 109 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.895 136.4 10.1 -67.4 -39.7 17.8 25.4 -6.1 117 123 A N >< - 0 0 39 -4,-2.5 3,-2.2 -5,-0.2 -1,-0.3 -0.808 65.1-164.9-145.9 98.2 19.4 24.5 -2.8 118 124 A P G > S+ 0 0 92 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.743 85.5 72.7 -54.3 -29.1 19.9 20.7 -2.2 119 125 A S G > S+ 0 0 88 1,-0.3 3,-0.9 2,-0.2 4,-0.2 0.704 83.1 70.5 -60.9 -20.5 20.5 21.4 1.6 120 126 A L G X> S+ 0 0 3 -3,-2.2 3,-1.7 1,-0.2 4,-0.8 0.674 74.7 85.1 -72.1 -13.9 16.7 22.1 1.9 121 127 A S G <4 S+ 0 0 69 -3,-1.8 3,-0.5 1,-0.3 -1,-0.2 0.848 88.2 51.3 -56.7 -36.2 16.0 18.3 1.3 122 128 A T G <4 S+ 0 0 137 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.573 110.3 49.1 -78.9 -6.2 16.5 17.7 5.1 123 129 A A T <4 S+ 0 0 60 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.2 0.483 111.0 52.6-106.6 -7.5 14.1 20.5 6.0 124 130 A L < + 0 0 17 -4,-0.8 2,-0.3 -3,-0.5 5,-0.0 -0.814 57.7 172.2-124.2 165.0 11.3 19.4 3.7 125 131 A S > - 0 0 59 -2,-0.3 3,-1.9 -3,-0.0 -15,-0.0 -0.927 54.3 -83.2-159.3 174.3 9.4 16.1 3.1 126 132 A E T 3 S+ 0 0 170 -2,-0.3 -19,-0.0 1,-0.3 -16,-0.0 0.640 129.2 51.9 -63.7 -12.0 6.4 14.9 1.2 127 133 A S T 3 S+ 0 0 97 2,-0.0 -1,-0.3 -20,-0.0 2,-0.1 0.473 79.1 125.6-103.0 -1.3 4.3 16.1 4.0 128 134 A S < - 0 0 9 -3,-1.9 -18,-0.1 1,-0.1 2,-0.1 -0.358 53.2-138.8 -61.9 128.0 5.7 19.6 4.2 129 135 A R > - 0 0 67 -2,-0.1 4,-2.2 1,-0.1 3,-0.4 -0.318 26.6-102.8 -77.8 165.3 3.0 22.4 4.0 130 136 A F H > S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.933 124.2 52.3 -55.9 -45.2 3.5 25.6 1.9 131 137 A V H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.824 107.3 52.2 -64.0 -26.5 4.2 27.6 5.1 132 138 A E H > S+ 0 0 65 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.891 109.0 49.8 -74.8 -34.4 6.8 25.0 6.1 133 139 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.930 109.6 52.6 -65.7 -43.2 8.5 25.5 2.7 134 140 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.947 110.9 45.7 -57.5 -47.4 8.3 29.3 3.3 135 141 A L H X S+ 0 0 33 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.882 109.6 55.2 -64.1 -38.1 10.1 28.9 6.6 136 142 A A H X S+ 0 0 8 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.914 110.9 45.2 -60.7 -43.3 12.7 26.5 5.1 137 143 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 3,-0.7 0.913 112.9 50.9 -67.2 -38.7 13.5 29.1 2.5 138 144 A E H ><5S+ 0 0 33 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.900 103.6 60.2 -62.7 -38.0 13.6 31.9 5.1 139 145 A N H 3<5S+ 0 0 117 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.721 109.5 40.2 -69.6 -17.7 15.9 29.9 7.4 140 146 A V T <<5S- 0 0 75 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.241 120.5-106.9-109.6 8.3 18.7 29.7 4.7 141 147 A G T < 5S+ 0 0 64 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.645 84.1 122.1 83.4 11.5 18.1 33.4 3.7 142 148 A L S -A 147 0A 44 3,-2.5 3,-0.7 -2,-0.3 -5,-0.0 -0.925 57.5 -81.4-157.9 175.2 12.4 37.3 3.9 145 151 A P T 3 S+ 0 0 49 0, 0.0 3,-0.1 0, 0.0 29,-0.1 0.794 131.5 42.5 -60.0 -23.9 9.6 39.8 4.5 146 152 A S T 3 S+ 0 0 74 1,-0.2 2,-0.4 28,-0.1 29,-0.1 0.635 118.7 44.1 -93.1 -16.3 11.3 42.3 2.2 147 153 A S B < +A 144 0A 44 -3,-0.7 -3,-2.5 1,-0.1 -1,-0.2 -0.916 47.1 145.5-139.6 110.7 12.3 39.8 -0.5 148 154 A V >> + 0 0 0 -2,-0.4 4,-2.3 -5,-0.2 3,-0.7 0.236 40.0 113.3-123.6 12.3 10.1 37.1 -2.0 149 155 A S H 3> S+ 0 0 48 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.800 72.8 59.9 -59.4 -30.2 11.3 37.0 -5.6 150 156 A V H 3> S+ 0 0 29 -8,-0.4 4,-1.9 1,-0.2 -1,-0.3 0.923 110.0 42.3 -62.7 -43.2 12.7 33.5 -5.2 151 157 A L H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.883 112.8 52.9 -68.8 -37.5 9.2 32.2 -4.4 152 158 A A H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.925 109.0 51.3 -61.8 -40.3 7.6 34.4 -7.1 153 159 A D H X S+ 0 0 73 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.902 109.5 49.5 -61.0 -42.8 10.2 32.8 -9.5 154 160 A M H X S+ 0 0 6 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.908 110.9 49.4 -63.2 -43.3 9.2 29.3 -8.4 155 161 A L H <>S+ 0 0 0 -4,-2.5 5,-2.1 2,-0.2 4,-0.4 0.870 109.5 52.4 -64.3 -36.4 5.5 30.1 -8.8 156 162 A R H ><5S+ 0 0 113 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.930 107.4 51.4 -65.4 -41.0 6.2 31.4 -12.3 157 163 A T H 3<5S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.856 106.6 54.7 -61.0 -36.3 8.0 28.1 -13.2 158 164 A L T 3<5S- 0 0 32 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.571 117.2-119.7 -69.5 -13.2 4.9 26.3 -11.9 159 165 A R T < 5S+ 0 0 210 -3,-1.5 2,-1.7 -4,-0.4 3,-0.2 0.517 74.6 133.0 78.5 13.1 2.9 28.5 -14.4 160 166 A R >< + 0 0 49 -5,-2.1 4,-2.6 1,-0.2 3,-0.5 -0.521 20.5 162.3 -90.8 70.0 0.9 29.9 -11.6 161 167 A L H > + 0 0 104 -2,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.764 68.8 62.5 -62.0 -26.1 1.3 33.5 -12.9 162 168 A D H > S+ 0 0 75 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.922 109.0 40.2 -63.3 -45.8 -1.6 34.6 -10.7 163 169 A L H > S+ 0 0 0 -3,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.899 113.1 54.9 -73.3 -39.8 0.3 33.6 -7.5 164 170 A C H X S+ 0 0 8 -4,-2.6 4,-2.5 1,-0.2 3,-0.2 0.930 106.9 51.7 -55.9 -46.8 3.6 35.0 -8.9 165 171 A Q H X S+ 0 0 112 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.858 103.9 56.3 -62.7 -37.2 1.9 38.3 -9.5 166 172 A Q H X S+ 0 0 57 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.908 112.2 43.5 -59.5 -38.7 0.6 38.5 -5.9 167 173 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.2 -2,-0.2 0.879 113.2 49.4 -75.3 -35.8 4.2 38.1 -4.7 168 174 A V H X S+ 0 0 60 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.940 113.2 48.6 -66.9 -43.6 5.7 40.5 -7.2 169 175 A E H X S+ 0 0 89 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.915 110.8 50.5 -62.2 -45.6 3.0 43.1 -6.2 170 176 A Y H X S+ 0 0 9 -4,-2.0 4,-2.9 -5,-0.2 5,-0.2 0.936 110.5 48.7 -56.3 -48.1 3.6 42.5 -2.5 171 177 A E H X S+ 0 0 32 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.898 112.6 48.0 -63.5 -40.9 7.4 43.0 -2.9 172 178 A Q H X S+ 0 0 118 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.907 114.0 47.3 -65.3 -39.0 6.9 46.2 -4.9 173 179 A Q H X S+ 0 0 117 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.912 111.9 50.0 -65.3 -45.9 4.4 47.5 -2.3 174 180 A E H < S+ 0 0 60 -4,-2.9 3,-0.4 1,-0.2 -2,-0.2 0.921 109.4 51.3 -63.2 -40.1 6.7 46.7 0.6 175 181 A Q H < S+ 0 0 132 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.835 107.8 51.9 -66.4 -34.0 9.6 48.4 -0.9 176 182 A A H < 0 0 91 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.733 360.0 360.0 -75.6 -23.2 7.7 51.6 -1.6 177 183 A R < 0 0 116 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.930 360.0 360.0 -71.9 360.0 6.5 51.8 2.0