==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 17-OCT-05 2BBR . COMPND 2 MOLECULE: VIRAL CASP8 AND FADD-LIKE APOPTOSIS REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: MOLLUSCUM CONTAGIOSUM VIRUS SUBTYPE 1; . AUTHOR J.K.YANG,L.WANG,L.ZHENG,F.WAN,M.AHMED,M.J.LENARDO,H.WU . 189 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10024.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 72.0 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 0.5 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 . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 50.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 0 0 0 0 0 1 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 2 A S 0 0 144 0, 0.0 2,-0.8 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 158.3 -4.2 13.3 9.1 2 3 A D > - 0 0 84 1,-0.2 3,-1.5 2,-0.0 4,-0.1 -0.728 360.0-163.3 -85.7 108.1 -7.7 14.2 10.1 3 4 A S G > S+ 0 0 97 -2,-0.8 3,-2.1 1,-0.3 -1,-0.2 0.719 81.4 78.6 -62.1 -21.4 -8.4 17.8 9.0 4 5 A K G 3 S+ 0 0 179 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.0 0.810 89.0 54.8 -57.8 -31.8 -11.4 17.8 11.3 5 6 A E G < S+ 0 0 80 -3,-1.5 51,-1.8 1,-0.1 -1,-0.3 0.388 98.5 75.2 -84.1 4.4 -9.1 18.3 14.3 6 7 A V S < S- 0 0 46 -3,-2.1 49,-0.2 49,-0.2 -1,-0.1 -0.893 72.1-151.0-123.3 102.7 -7.6 21.4 12.7 7 8 A P - 0 0 20 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.425 33.1-101.2 -68.3 143.7 -9.6 24.6 12.7 8 9 A S > - 0 0 66 1,-0.1 4,-1.3 -2,-0.1 3,-0.2 -0.321 23.6-123.7 -65.7 148.2 -8.9 26.9 9.7 9 10 A L H >> S+ 0 0 53 1,-0.2 4,-3.1 2,-0.2 3,-0.5 0.909 109.7 57.9 -59.0 -45.8 -6.7 29.9 10.4 10 11 A P H 3> S+ 0 0 79 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.916 105.2 51.7 -51.4 -43.7 -9.2 32.5 9.1 11 12 A F H 3> S+ 0 0 69 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.861 113.5 46.8 -59.3 -35.5 -11.6 31.1 11.8 12 13 A L H < S+ 0 0 92 -4,-1.8 3,-0.9 -5,-0.3 -1,-0.2 0.895 106.6 53.1 -69.5 -39.7 -11.4 36.2 13.7 15 16 A L H >< S+ 0 0 8 -4,-1.2 3,-1.9 1,-0.2 -2,-0.2 0.885 101.1 62.2 -61.7 -37.7 -11.4 34.6 17.1 16 17 A L H >< S+ 0 0 24 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.732 85.6 72.6 -61.8 -25.1 -8.4 36.7 18.1 17 18 A E T << S+ 0 0 141 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.627 91.7 61.8 -65.8 -10.4 -10.3 39.9 17.6 18 19 A E T < S+ 0 0 88 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.3 0.534 89.9 82.6 -92.7 -7.6 -12.0 39.0 20.8 19 20 A L < - 0 0 18 -3,-1.8 2,-0.1 -4,-0.2 -3,-0.0 -0.735 68.0-141.9-100.6 147.4 -8.9 39.0 23.0 20 21 A D > - 0 0 89 -2,-0.3 4,-2.3 1,-0.0 5,-0.2 -0.347 38.6 -87.1 -95.2-179.0 -7.3 42.1 24.6 21 22 A S H > S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.828 126.2 51.9 -59.8 -35.6 -3.6 42.9 25.0 22 23 A H H > S+ 0 0 64 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.954 111.0 47.1 -66.8 -47.8 -3.3 41.0 28.3 23 24 A E H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.878 108.9 55.7 -60.5 -37.7 -4.9 37.9 26.9 24 25 A D H X S+ 0 0 46 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.917 106.8 50.3 -60.3 -43.9 -2.6 38.1 23.8 25 26 A S H X S+ 0 0 17 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.887 109.0 51.5 -62.0 -40.6 0.4 38.2 26.1 26 27 A L H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.912 111.3 46.9 -64.3 -42.2 -0.9 35.1 28.0 27 28 A L H X S+ 0 0 10 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.911 109.8 53.0 -67.0 -41.0 -1.3 33.2 24.7 28 29 A L H < S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.904 110.0 49.6 -59.9 -39.0 2.1 34.2 23.5 29 30 A F H >< S+ 0 0 4 -4,-2.1 3,-1.9 1,-0.2 4,-0.3 0.926 107.4 53.3 -64.8 -44.3 3.5 32.9 26.7 30 31 A L H 3< S+ 0 0 4 -4,-2.3 3,-0.3 1,-0.3 63,-0.3 0.823 112.7 45.7 -59.6 -30.3 1.6 29.6 26.4 31 32 A C T 3X S+ 0 0 3 -4,-1.7 4,-3.2 1,-0.2 -1,-0.3 0.271 80.6 112.1 -95.5 10.1 3.2 29.3 22.9 32 33 A H T <4 S+ 0 0 66 -3,-1.9 -1,-0.2 1,-0.2 5,-0.1 0.849 81.0 38.4 -53.1 -44.3 6.7 30.2 24.1 33 34 A D T 4 S+ 0 0 91 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.891 123.7 38.9 -76.4 -41.2 8.3 26.8 23.5 34 35 A A T 4 S+ 0 0 9 -4,-0.2 -2,-0.2 1,-0.2 -1,-0.1 0.844 121.1 41.7 -79.2 -35.7 6.5 25.9 20.3 35 36 A A S >< S- 0 0 7 -4,-3.2 3,-0.9 -7,-0.2 -1,-0.2 -0.658 79.2-173.5-116.2 75.9 6.5 29.3 18.6 36 37 A P T 3 + 0 0 95 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.392 66.6 14.8 -70.6 141.7 10.0 30.8 19.3 37 38 A G T 3 S+ 0 0 80 1,-0.3 -5,-0.1 -5,-0.1 7,-0.0 0.238 88.2 139.7 82.7 -14.5 10.7 34.4 18.3 38 39 A C < + 0 0 36 -3,-0.9 -1,-0.3 -7,-0.1 3,-0.1 -0.305 27.4 176.9 -65.7 146.3 7.1 35.3 17.8 39 40 A T + 0 0 104 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.514 65.1 52.8-122.8 -18.2 5.9 38.7 19.0 40 41 A T S > S- 0 0 64 1,-0.1 4,-1.9 -12,-0.1 -1,-0.1 -0.898 78.8-125.1-121.8 152.0 2.2 38.7 17.8 41 42 A V H > S+ 0 0 13 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.863 111.7 59.7 -61.6 -35.7 -0.5 36.1 18.4 42 43 A T H > S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.928 105.6 47.8 -58.2 -46.1 -1.0 35.8 14.7 43 44 A Q H > S+ 0 0 88 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 110.7 51.6 -60.8 -45.9 2.6 34.7 14.2 44 45 A A H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.925 110.9 47.2 -58.0 -47.0 2.3 32.2 17.1 45 46 A L H X S+ 0 0 6 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.900 111.4 51.0 -62.8 -41.7 -0.9 30.6 15.6 46 47 A C H X S+ 0 0 38 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.913 110.3 50.2 -62.1 -41.7 0.7 30.5 12.1 47 48 A S H X S+ 0 0 19 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.914 111.4 47.6 -62.9 -43.2 3.7 28.7 13.6 48 49 A L H <>S+ 0 0 0 -4,-2.4 5,-3.0 1,-0.2 6,-0.8 0.888 109.9 53.5 -65.3 -37.6 1.5 26.2 15.4 49 50 A S H ><5S+ 0 0 31 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.913 104.4 55.2 -62.1 -42.6 -0.4 25.6 12.2 50 51 A Q H 3<5S+ 0 0 159 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.813 113.6 41.6 -58.9 -32.4 2.9 24.9 10.4 51 52 A Q T 3<5S- 0 0 80 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.408 111.1-121.4 -95.7 -0.5 3.6 22.2 13.0 52 53 A R T < 5S+ 0 0 81 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.890 80.9 120.8 58.1 41.0 0.0 20.9 13.0 53 54 A K < + 0 0 71 -5,-3.0 2,-1.7 -6,-0.1 38,-0.4 0.474 42.9 92.6-106.8 -9.0 -0.1 21.7 16.7 54 55 A L + 0 0 2 -6,-0.8 -1,-0.1 -9,-0.1 2,-0.1 -0.534 61.4 154.5 -88.0 71.3 -3.0 24.1 16.4 55 56 A T > - 0 0 21 -2,-1.7 4,-2.2 -49,-0.2 -49,-0.2 -0.372 61.8-101.8 -93.8 172.5 -5.7 21.6 17.0 56 57 A L H > S+ 0 0 50 -51,-1.8 4,-2.6 1,-0.2 5,-0.2 0.937 124.8 51.9 -58.0 -46.4 -9.3 21.9 18.3 57 58 A A H > S+ 0 0 14 -52,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.902 107.2 51.7 -57.8 -45.2 -8.0 20.7 21.7 58 59 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.933 112.3 45.0 -59.5 -47.5 -5.2 23.3 21.8 59 60 A L H X S+ 0 0 8 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.900 112.4 51.7 -63.9 -41.7 -7.6 26.1 21.1 60 61 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.923 110.9 48.3 -62.0 -42.8 -10.1 24.9 23.6 61 62 A E H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.915 109.9 52.5 -64.0 -42.8 -7.4 24.6 26.3 62 63 A M H X S+ 0 0 4 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.945 111.8 45.2 -57.6 -48.9 -6.1 28.1 25.5 63 64 A L H <>S+ 0 0 4 -4,-2.5 5,-2.7 1,-0.2 4,-0.3 0.881 112.5 52.0 -63.9 -37.8 -9.6 29.6 25.9 64 65 A Y H ><5S+ 0 0 39 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.944 108.7 49.5 -63.2 -47.4 -10.2 27.6 29.1 65 66 A V H 3<5S+ 0 0 9 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.854 111.2 50.1 -60.1 -34.3 -7.0 28.9 30.6 66 67 A L T 3<5S- 0 0 18 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.477 112.0-126.1 -81.4 -3.5 -8.0 32.4 29.6 67 68 A Q T < 5 + 0 0 116 -3,-1.6 2,-1.2 -4,-0.3 3,-0.2 0.815 58.9 149.2 61.9 32.5 -11.4 31.7 31.3 68 69 A R >< + 0 0 38 -5,-2.7 4,-1.7 1,-0.2 3,-0.4 -0.568 4.6 156.7 -96.4 70.0 -13.2 32.7 28.1 69 70 A M H > + 0 0 41 -2,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.739 69.9 65.1 -66.2 -21.8 -16.2 30.4 28.5 70 71 A D H > S+ 0 0 73 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.931 105.4 42.4 -65.4 -43.9 -18.1 32.8 26.3 71 72 A L H >>S+ 0 0 3 -3,-0.4 4,-2.5 2,-0.2 5,-0.6 0.827 108.7 58.4 -72.8 -32.3 -15.8 31.9 23.4 72 73 A L H X5S+ 0 0 0 -4,-1.7 6,-2.1 3,-0.2 4,-1.3 0.918 113.2 41.3 -62.4 -40.9 -15.8 28.2 24.2 73 74 A K H X5S+ 0 0 135 -4,-1.8 4,-1.5 4,-0.3 -2,-0.2 0.967 119.6 40.9 -70.4 -53.5 -19.6 28.3 23.8 74 75 A S H <5S+ 0 0 77 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.834 127.0 31.0 -67.6 -33.7 -19.9 30.6 20.7 75 76 A R H <5S+ 0 0 55 -4,-2.5 -3,-0.2 -5,-0.2 -1,-0.2 0.767 138.1 16.3 -97.0 -28.8 -17.0 29.1 18.8 76 77 A F H < - 0 0 59 -2,-0.4 4,-2.2 -3,-0.1 5,-0.2 -0.353 43.4 -92.8 -83.6 173.7 -19.6 24.2 28.2 80 81 A K H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.913 129.8 48.1 -54.5 -45.1 -16.9 24.6 30.9 81 82 A E H > S+ 0 0 115 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.866 108.1 54.2 -65.5 -38.2 -17.1 20.8 31.6 82 83 A G H 4 S+ 0 0 23 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.893 110.7 46.7 -63.3 -38.3 -16.9 20.0 27.9 83 84 A A H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 4,-0.5 0.875 104.3 60.5 -70.9 -37.8 -13.7 22.0 27.7 84 85 A E H >< S+ 0 0 62 -4,-2.1 3,-0.8 1,-0.3 -1,-0.2 0.776 93.3 66.8 -62.4 -23.4 -12.3 20.4 30.8 85 86 A Q T 3< S+ 0 0 158 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.713 102.5 47.6 -69.8 -17.4 -12.5 17.0 29.0 86 87 A L T X S+ 0 0 43 -3,-1.9 3,-1.5 -4,-0.3 -1,-0.2 0.499 80.4 121.6-101.1 -5.7 -9.8 18.2 26.6 87 88 A L T < S+ 0 0 61 -3,-0.8 103,-0.1 -4,-0.5 -29,-0.1 -0.344 78.3 19.1 -61.1 134.7 -7.4 19.6 29.1 88 89 A G T 3 S+ 0 0 28 -31,-0.1 -1,-0.3 101,-0.1 102,-0.2 0.614 96.7 102.5 82.4 13.9 -4.0 18.0 28.8 89 90 A T S < S+ 0 0 82 -3,-1.5 2,-0.2 -32,-0.1 -31,-0.2 0.130 70.5 55.9-116.2 21.2 -4.5 16.6 25.3 90 91 A S S S- 0 0 13 2,-0.3 -36,-0.1 -33,-0.2 -37,-0.0 -0.698 102.0 -80.0-134.6-171.4 -2.5 19.1 23.2 91 92 A F S S+ 0 0 42 -38,-0.4 -37,-0.1 -2,-0.2 -38,-0.0 0.750 92.0 111.7 -66.7 -23.3 1.0 20.5 23.0 92 93 A L - 0 0 1 1,-0.1 -2,-0.3 2,-0.0 2,-0.3 -0.214 62.7-138.0 -55.1 137.9 0.3 22.9 25.9 93 94 A T > - 0 0 35 -63,-0.3 4,-2.4 97,-0.2 97,-0.3 -0.689 16.0-126.1-101.9 153.1 2.3 22.0 29.0 94 95 A R H > S+ 0 0 77 95,-2.9 4,-2.9 -2,-0.3 5,-0.3 0.878 111.0 60.7 -60.0 -36.3 1.1 22.0 32.6 95 96 A Y H > S+ 0 0 0 94,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.955 109.5 38.6 -55.9 -54.3 4.1 24.2 33.4 96 97 A R H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 117.6 49.0 -66.4 -43.3 2.9 27.0 31.1 97 98 A K H X S+ 0 0 14 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.917 111.3 50.6 -63.6 -41.6 -0.8 26.7 31.9 98 99 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.912 107.8 52.6 -62.5 -43.6 -0.0 26.7 35.6 99 100 A M H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.901 109.3 49.5 -61.1 -40.6 2.1 29.8 35.4 100 101 A V H X S+ 0 0 1 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.951 112.9 47.2 -62.8 -46.8 -0.7 31.7 33.6 101 102 A C H < S+ 0 0 45 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.893 111.1 50.0 -63.2 -41.1 -3.2 30.6 36.2 102 103 A V H >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.2 4,-0.3 0.915 107.0 56.4 -63.7 -40.7 -1.0 31.6 39.1 103 104 A G H >< S+ 0 0 12 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.842 103.7 53.6 -59.5 -33.5 -0.4 35.0 37.5 104 105 A E T 3< S+ 0 0 96 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.572 102.5 58.7 -78.3 -8.3 -4.2 35.6 37.4 105 106 A E T < S+ 0 0 115 -3,-1.6 2,-0.4 -4,-0.5 -1,-0.2 0.354 93.4 84.3 -98.8 2.4 -4.4 34.9 41.2 106 107 A L < - 0 0 23 -3,-1.0 2,-0.2 -4,-0.3 29,-0.1 -0.844 68.7-143.7-107.5 142.9 -2.0 37.7 42.0 107 108 A D > - 0 0 85 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.472 36.0 -96.0 -94.8 173.5 -2.9 41.3 42.4 108 109 A S H > S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.833 123.3 51.9 -60.0 -35.7 -0.7 44.2 41.3 109 110 A S H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 111.5 46.7 -68.0 -41.9 0.9 44.7 44.8 110 111 A E H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.918 112.5 50.3 -64.9 -43.4 1.8 41.0 45.0 111 112 A L H X S+ 0 0 26 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.907 109.4 51.2 -62.2 -41.6 3.2 41.1 41.5 112 113 A R H X S+ 0 0 98 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.926 109.5 50.3 -61.1 -44.3 5.3 44.1 42.4 113 114 A A H X S+ 0 0 12 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.912 110.1 50.6 -60.5 -42.1 6.6 42.4 45.5 114 115 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.900 108.1 51.5 -63.8 -41.7 7.6 39.3 43.4 115 116 A R H X S+ 0 0 23 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.895 111.4 48.7 -62.5 -38.5 9.4 41.4 40.8 116 117 A L H X S+ 0 0 90 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.896 109.1 52.0 -67.9 -40.4 11.3 43.1 43.7 117 118 A F H X S+ 0 0 56 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.920 110.3 50.1 -60.8 -43.2 12.2 39.7 45.2 118 119 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 7,-0.2 0.919 110.0 48.5 -61.4 -46.3 13.5 38.5 41.8 119 120 A C H < S+ 0 0 29 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.768 110.4 52.3 -67.7 -25.3 15.7 41.6 41.4 120 121 A N H < S+ 0 0 136 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.858 111.1 47.0 -76.9 -35.9 17.1 41.2 44.9 121 122 A L H < S+ 0 0 110 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.900 136.5 9.9 -69.1 -41.6 18.0 37.5 44.1 122 123 A N >< - 0 0 40 -4,-2.5 3,-2.3 -5,-0.2 -1,-0.3 -0.805 65.0-166.1-143.1 96.3 19.5 38.5 40.8 123 124 A P G > S+ 0 0 90 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.694 84.0 76.0 -55.3 -20.6 20.0 42.3 40.2 124 125 A S G > S+ 0 0 81 1,-0.3 3,-0.9 2,-0.1 4,-0.2 0.752 82.6 68.7 -63.9 -22.7 20.6 41.5 36.5 125 126 A L G X> S+ 0 0 2 -3,-2.3 3,-1.8 1,-0.2 4,-0.7 0.640 74.6 85.6 -71.6 -15.0 16.9 41.0 36.1 126 127 A S G X4 S+ 0 0 68 -3,-1.6 3,-0.6 1,-0.3 -1,-0.2 0.840 87.0 53.2 -56.4 -34.4 16.2 44.7 36.7 127 128 A T G <4 S+ 0 0 132 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.594 110.2 47.8 -78.0 -10.2 16.8 45.4 33.0 128 129 A A G <4 S+ 0 0 58 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.2 0.435 110.7 58.2-106.8 -3.4 14.2 42.7 32.0 129 130 A L << + 0 0 18 -4,-0.7 2,-0.3 -3,-0.6 -1,-0.0 -0.960 54.0 163.5-132.0 147.7 11.5 43.9 34.4 130 131 A S > - 0 0 61 -2,-0.3 3,-1.9 -3,-0.0 -15,-0.0 -0.871 57.3 -83.4-146.9 177.7 9.6 47.1 35.1 131 132 A E T 3 S+ 0 0 181 1,-0.3 -19,-0.1 -2,-0.3 -16,-0.0 0.590 128.1 54.1 -64.9 -9.1 6.4 48.3 36.9 132 133 A S T 3 S+ 0 0 97 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.468 79.1 122.1-103.0 -3.1 4.5 47.2 33.8 133 134 A S < - 0 0 9 -3,-1.9 -18,-0.1 4,-0.1 2,-0.1 -0.418 54.6-140.7 -66.4 128.0 5.8 43.6 33.7 134 135 A R > - 0 0 69 -2,-0.2 4,-2.0 1,-0.1 3,-0.3 -0.336 27.2-104.0 -79.9 166.1 3.2 40.9 33.9 135 136 A F H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.911 123.3 53.7 -58.8 -42.2 3.6 37.7 35.9 136 137 A V H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.847 107.9 51.0 -63.1 -30.3 4.2 35.7 32.7 137 138 A E H > S+ 0 0 68 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.867 108.2 51.6 -73.8 -33.8 6.9 38.2 31.8 138 139 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.924 109.4 51.0 -65.3 -43.4 8.5 37.7 35.2 139 140 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.941 110.6 47.6 -60.0 -46.9 8.5 34.0 34.6 140 141 A L H X S+ 0 0 33 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.897 109.8 53.4 -62.4 -38.9 10.2 34.3 31.3 141 142 A A H X S+ 0 0 7 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.915 111.0 46.1 -61.5 -42.7 12.8 36.7 32.8 142 143 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 6,-0.8 0.896 113.1 50.4 -66.1 -39.7 13.5 34.1 35.5 143 144 A E H ><5S+ 0 0 32 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.903 103.6 59.9 -63.0 -42.4 13.7 31.3 32.8 144 145 A N H 3<5S+ 0 0 121 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.694 109.9 40.4 -63.8 -20.2 16.1 33.4 30.7 145 146 A V T <<5S- 0 0 69 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.295 119.5-107.1-108.0 6.4 18.7 33.5 33.4 146 147 A G T < 5S+ 0 0 64 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.617 83.9 122.3 82.3 13.9 18.2 29.9 34.5 147 148 A L S -A 152 0A 43 3,-2.4 3,-0.7 -2,-0.3 -5,-0.0 -0.931 57.2 -82.2-159.5 173.8 12.5 26.0 34.0 150 151 A P T 3 S+ 0 0 51 0, 0.0 3,-0.1 0, 0.0 29,-0.1 0.742 132.1 42.4 -60.2 -19.1 9.7 23.5 33.3 151 152 A S T 3 S+ 0 0 75 1,-0.2 2,-0.4 28,-0.0 29,-0.1 0.613 118.5 43.5-100.2 -16.1 11.4 21.0 35.6 152 153 A S B < +A 149 0A 43 -3,-0.7 -3,-2.4 1,-0.1 -1,-0.2 -0.931 47.2 145.3-138.2 113.1 12.4 23.5 38.4 153 154 A V >> + 0 0 0 -2,-0.4 4,-2.3 -5,-0.2 3,-0.5 0.215 39.7 113.5-126.8 12.8 10.1 26.1 39.9 154 155 A S H 3> S+ 0 0 50 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.807 73.7 59.3 -57.4 -32.5 11.3 26.1 43.5 155 156 A V H 3> S+ 0 0 28 -8,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.935 110.1 42.7 -62.5 -43.9 12.7 29.6 43.2 156 157 A L H <> S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.878 112.3 53.3 -68.3 -38.5 9.3 30.9 42.3 157 158 A A H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.919 108.9 50.6 -61.1 -42.1 7.7 28.7 45.0 158 159 A D H X S+ 0 0 72 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.885 108.8 51.3 -61.7 -41.2 10.1 30.3 47.5 159 160 A M H X S+ 0 0 6 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.910 110.7 48.2 -63.4 -42.1 9.1 33.8 46.3 160 161 A L H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-0.3 0.861 109.6 53.0 -67.0 -35.1 5.4 33.0 46.7 161 162 A R H ><5S+ 0 0 114 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.921 106.9 51.8 -65.6 -42.3 6.1 31.6 50.2 162 163 A T H 3<5S+ 0 0 94 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.862 106.5 54.1 -60.5 -35.9 7.9 34.8 51.2 163 164 A L T 3<5S- 0 0 25 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.570 117.9-119.8 -73.1 -10.0 4.8 36.7 50.0 164 165 A R T < 5S+ 0 0 196 -3,-1.5 2,-1.5 -4,-0.3 3,-0.2 0.578 74.4 133.1 77.0 14.2 2.9 34.4 52.3 165 166 A R >< + 0 0 50 -5,-2.3 4,-2.4 1,-0.2 3,-0.4 -0.563 20.7 162.6 -92.0 69.5 0.8 33.0 49.5 166 167 A L H > + 0 0 105 -2,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.736 68.3 63.0 -61.7 -23.1 1.3 29.5 50.7 167 168 A D H > S+ 0 0 79 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.928 108.5 39.1 -68.3 -44.9 -1.6 28.4 48.5 168 169 A L H > S+ 0 0 0 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.878 113.8 55.8 -72.3 -38.4 0.2 29.4 45.3 169 170 A C H X S+ 0 0 8 -4,-2.4 4,-2.6 1,-0.2 3,-0.2 0.943 106.4 51.7 -56.8 -47.9 3.5 28.1 46.7 170 171 A Q H X S+ 0 0 111 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.871 104.4 55.8 -59.0 -39.9 1.9 24.7 47.2 171 172 A Q H X S+ 0 0 65 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.909 112.1 43.6 -59.9 -41.0 0.6 24.5 43.7 172 173 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 -3,-0.2 -2,-0.2 0.882 113.1 49.9 -72.0 -39.5 4.1 25.0 42.4 173 174 A V H X S+ 0 0 61 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.934 113.0 47.7 -63.7 -44.7 5.7 22.6 44.9 174 175 A E H X S+ 0 0 91 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.888 110.8 51.9 -63.4 -39.1 3.1 20.0 43.9 175 176 A Y H X S+ 0 0 3 -4,-1.8 4,-2.8 -5,-0.3 5,-0.2 0.936 109.3 49.1 -62.5 -47.2 3.7 20.6 40.2 176 177 A E H X S+ 0 0 40 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.907 112.7 47.9 -60.8 -40.7 7.5 20.2 40.6 177 178 A Q H X S+ 0 0 105 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.893 112.2 49.5 -66.5 -39.6 7.0 16.9 42.5 178 179 A Q H X S+ 0 0 77 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.912 112.1 47.7 -65.3 -43.0 4.5 15.6 39.9 179 180 A E H X S+ 0 0 33 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.905 111.7 50.7 -64.5 -41.4 6.8 16.5 37.0 180 181 A Q H X S+ 0 0 70 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.909 111.3 48.0 -62.4 -43.0 9.7 14.8 38.8 181 182 A A H X S+ 0 0 48 -4,-2.3 4,-2.7 2,-0.2 6,-0.2 0.892 111.5 50.5 -65.4 -40.7 7.7 11.7 39.4 182 183 A R H X S+ 0 0 98 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.923 114.3 43.8 -63.5 -45.1 6.6 11.6 35.8 183 184 A Y H X S+ 0 0 158 -4,-2.5 4,-0.8 3,-0.2 -2,-0.2 0.936 120.0 41.0 -65.6 -47.0 10.1 11.9 34.5 184 185 A R H < S+ 0 0 148 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.828 130.0 24.3 -73.6 -33.4 11.6 9.4 36.9 185 186 A Y H < S+ 0 0 189 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.306 133.1 34.1-118.0 11.0 8.9 6.8 36.8 186 187 A C H < 0 0 98 -4,-1.3 -3,-0.2 -5,-0.2 -2,-0.1 0.275 360.0 360.0-139.1 -2.2 7.2 7.3 33.5 187 188 A L < 0 0 178 -4,-0.8 -4,-0.1 -6,-0.2 -5,-0.1 0.154 360.0 360.0 53.7 360.0 10.3 8.4 31.5 188 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 189 194 A H 0 0 45 0, 0.0 -95,-2.9 0, 0.0 -94,-0.6 0.000 360.0 360.0 360.0 173.6 3.7 16.9 31.2 190 195 A H 0 0 106 -97,-0.3 -97,-0.2 -102,-0.2 -99,-0.1 -0.598 360.0 360.0 -99.1 360.0 0.4 18.2 29.9