==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-NOV-08 3FDD . COMPND 2 MOLECULE: L-ASPARTATE-BETA-DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS DACUNHAE ATCC 21192; . AUTHOR S.LIMA,B.SUNDARARAJU,C.HUANG,R.KHRISTOFOROV,C.MOMANY,R.S.PHI . 502 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 5.0 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 . 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 . 28 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 3 0 0 2 1 1 1 1 1 2 1 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 2 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 27 A D > 0 0 164 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -34.1 -19.7 8.5 -41.6 2 28 A G H > + 0 0 37 2,-0.2 4,-0.9 1,-0.2 11,-0.1 0.890 360.0 40.9 -69.2 -42.6 -21.6 5.2 -40.9 3 29 A N H > S+ 0 0 54 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.823 114.6 53.1 -72.0 -35.0 -24.3 6.2 -43.4 4 30 A R H > S+ 0 0 171 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.736 102.9 58.2 -73.8 -26.2 -21.8 7.5 -45.9 5 31 A L H X>S+ 0 0 52 -4,-1.2 4,-2.4 2,-0.2 6,-1.1 0.839 103.8 50.6 -73.8 -36.1 -19.7 4.3 -45.9 6 32 A M H X5S+ 0 0 11 -4,-0.9 4,-0.7 4,-0.3 -2,-0.2 0.888 113.5 45.4 -68.3 -40.6 -22.6 2.1 -47.0 7 33 A L H <5S+ 0 0 115 -4,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.875 124.7 31.8 -68.3 -40.5 -23.5 4.4 -49.9 8 34 A N H <5S+ 0 0 129 -4,-1.6 -2,-0.2 3,-0.1 -3,-0.2 0.905 137.6 13.2 -87.3 -46.9 -19.9 4.8 -51.0 9 35 A A H <5S- 0 0 22 -4,-2.4 -3,-0.2 2,-0.2 -2,-0.1 0.429 93.8-116.0-117.3 -2.6 -18.1 1.6 -50.2 10 36 A G << + 0 0 7 -4,-0.7 2,-0.3 -5,-0.7 -4,-0.3 0.825 62.7 166.9 69.3 34.0 -20.9 -0.9 -49.4 11 37 A R - 0 0 54 -6,-1.1 -1,-0.3 -9,-0.1 -2,-0.2 -0.965 49.5-159.9-134.2 148.4 -19.8 -1.4 -45.8 12 38 A G - 0 0 0 -2,-0.3 -10,-0.1 -7,-0.1 463,-0.0 -0.862 12.5-171.5 125.9 -27.4 -20.4 -2.3 -43.1 13 39 A N - 0 0 64 -11,-0.1 276,-0.1 1,-0.1 -7,-0.1 -0.141 26.5-133.5 -52.8 114.4 -18.4 -0.8 -40.2 14 40 A P - 0 0 9 0, 0.0 462,-0.3 0, 0.0 280,-0.1 -0.279 9.4-150.7 -69.5 152.5 -19.1 -2.7 -36.9 15 41 A N S S+ 0 0 63 460,-2.4 2,-0.3 462,-0.2 461,-0.1 0.168 80.7 74.3-104.3 11.4 -19.8 -0.9 -33.6 16 42 A F - 0 0 20 459,-0.3 2,-0.3 2,-0.0 459,-0.0 -0.836 62.1-175.7-112.9 159.1 -18.2 -3.8 -31.7 17 43 A L - 0 0 90 -2,-0.3 2,-0.6 276,-0.1 275,-0.3 -0.986 34.2-104.5-154.7 148.5 -14.5 -4.6 -31.4 18 44 A A + 0 0 1 273,-2.5 4,-0.3 -2,-0.3 273,-0.1 -0.660 37.5 177.6 -74.2 114.9 -12.3 -7.3 -29.9 19 45 A T > + 0 0 75 -2,-0.6 4,-2.8 2,-0.1 5,-0.2 0.846 65.3 63.3 -89.6 -40.2 -10.8 -5.7 -26.8 20 46 A T H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.922 105.5 43.9 -59.2 -51.1 -8.7 -8.5 -25.3 21 47 A P H > S+ 0 0 0 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.760 114.5 53.4 -66.0 -22.1 -6.1 -8.8 -28.1 22 48 A R H > S+ 0 0 34 -4,-0.3 4,-2.2 -3,-0.2 -2,-0.2 0.894 109.4 46.2 -73.7 -44.0 -6.0 -5.0 -28.3 23 49 A R H X S+ 0 0 123 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.859 110.8 54.3 -63.1 -37.2 -5.2 -4.8 -24.6 24 50 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.890 107.5 51.4 -63.3 -39.1 -2.6 -7.5 -25.1 25 51 A F H X S+ 0 0 19 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.947 111.7 44.5 -61.6 -53.0 -1.0 -5.5 -27.9 26 52 A F H X S+ 0 0 127 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.863 114.9 49.4 -63.9 -36.7 -0.7 -2.3 -25.7 27 53 A R H X S+ 0 0 67 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.881 109.5 51.3 -68.0 -40.4 0.6 -4.3 -22.8 28 54 A L H X S+ 0 0 4 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.856 106.4 57.4 -61.2 -36.6 3.2 -6.0 -25.0 29 55 A G H X S+ 0 0 21 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.893 104.0 49.7 -61.6 -44.4 4.2 -2.6 -26.1 30 56 A L H X S+ 0 0 104 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.888 112.4 48.6 -62.7 -39.6 5.0 -1.5 -22.6 31 57 A F H X S+ 0 0 10 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.938 112.8 47.6 -62.2 -48.1 7.1 -4.7 -22.2 32 58 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.873 107.3 56.6 -61.4 -40.3 8.9 -4.0 -25.5 33 59 A A H X S+ 0 0 35 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.919 108.9 46.5 -55.9 -45.7 9.5 -0.3 -24.5 34 60 A A H X S+ 0 0 47 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.833 109.2 55.4 -64.5 -35.1 11.3 -1.6 -21.4 35 61 A E H < S+ 0 0 5 -4,-1.8 4,-0.4 2,-0.2 18,-0.3 0.890 107.5 49.6 -63.5 -41.7 13.2 -4.1 -23.6 36 62 A S H >< S+ 0 0 21 -4,-2.3 14,-2.7 1,-0.2 3,-1.2 0.887 108.0 53.2 -62.0 -42.9 14.4 -1.2 -25.7 37 63 A E H >< S+ 0 0 129 -4,-1.8 3,-1.3 1,-0.3 -1,-0.2 0.758 97.4 65.9 -67.5 -26.0 15.5 0.8 -22.7 38 64 A L T 3< S+ 0 0 117 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.683 102.1 50.0 -65.6 -21.3 17.6 -2.2 -21.5 39 65 A S T < S+ 0 0 25 -3,-1.2 2,-0.6 -4,-0.4 12,-0.3 0.249 84.1 106.9-101.8 6.4 19.8 -1.7 -24.5 40 66 A Y < - 0 0 66 -3,-1.3 10,-0.0 10,-0.2 9,-0.0 -0.812 46.4-174.8 -93.0 125.4 20.3 2.1 -24.0 41 67 A S + 0 0 102 -2,-0.6 2,-0.2 8,-0.1 -1,-0.1 0.583 45.4 87.3 -97.3 -12.9 23.9 2.7 -22.8 42 68 A Y - 0 0 168 1,-0.1 3,-0.4 2,-0.0 2,-0.1 -0.638 59.5-133.4-109.8 151.3 24.1 6.5 -22.0 43 69 A M S S+ 0 0 152 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.400 77.5 23.9 -87.2 164.4 23.4 8.8 -19.1 44 70 A N S S+ 0 0 166 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.695 92.5 109.4 56.4 27.2 21.5 12.1 -18.8 45 71 A T - 0 0 65 -3,-0.4 2,-0.3 3,-0.1 -1,-0.2 -0.837 48.9-156.4-121.2 167.1 19.3 11.6 -21.9 46 72 A V + 0 0 139 -2,-0.3 3,-0.1 -3,-0.1 -3,-0.0 -0.994 65.6 23.1-141.0 144.3 15.6 11.0 -22.3 47 73 A G S S+ 0 0 91 -2,-0.3 2,-0.5 1,-0.2 -1,-0.0 0.494 88.4 108.9 86.3 4.3 13.4 9.5 -25.0 48 74 A V + 0 0 85 -11,-0.0 2,-0.2 -8,-0.0 -1,-0.2 -0.965 38.4 169.6-118.0 126.4 16.1 7.3 -26.7 49 75 A G - 0 0 33 -2,-0.5 -12,-0.2 -3,-0.1 2,-0.1 -0.703 21.6-130.4-120.4 178.4 16.2 3.5 -26.5 50 76 A G - 0 0 23 -14,-2.7 2,-0.3 -2,-0.2 -10,-0.2 -0.357 42.4 -63.6-112.5-165.4 18.1 0.7 -28.2 51 77 A L - 0 0 90 -12,-0.3 -1,-0.1 -2,-0.1 2,-0.1 -0.690 53.9-107.4 -87.4 138.0 17.2 -2.6 -29.9 52 78 A A - 0 0 6 -2,-0.3 2,-0.4 45,-0.1 -16,-0.1 -0.350 33.1-132.6 -60.7 138.2 15.5 -5.4 -27.8 53 79 A K - 0 0 102 -18,-0.3 -1,-0.1 1,-0.1 -15,-0.0 -0.806 6.0-149.6 -99.9 133.9 17.9 -8.4 -27.1 54 80 A I S > S+ 0 0 69 -2,-0.4 3,-1.9 2,-0.1 4,-0.3 0.844 70.2 102.8 -66.8 -33.3 16.7 -11.9 -27.7 55 81 A E T 3 S- 0 0 131 1,-0.3 -2,-0.1 2,-0.1 0, 0.0 -0.297 99.4 -4.8 -57.6 122.5 19.0 -13.2 -24.9 56 82 A G T 3> S+ 0 0 50 -2,-0.1 4,-1.7 1,-0.1 -1,-0.3 0.622 90.0 134.9 71.2 15.4 17.1 -13.9 -21.7 57 83 A I H <> + 0 0 1 -3,-1.9 4,-2.9 1,-0.2 5,-0.2 0.855 65.4 56.6 -66.1 -37.6 13.8 -12.6 -23.1 58 84 A E H > S+ 0 0 70 -4,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.917 108.2 47.3 -58.0 -48.1 11.7 -15.6 -21.9 59 85 A G H > S+ 0 0 42 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.891 114.4 45.9 -64.0 -42.2 12.7 -15.0 -18.3 60 86 A R H X S+ 0 0 46 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.933 114.0 49.0 -65.7 -45.4 12.1 -11.2 -18.5 61 87 A F H X S+ 0 0 5 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.912 109.2 52.9 -56.3 -47.8 8.7 -11.8 -20.2 62 88 A E H X S+ 0 0 96 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.863 109.4 48.9 -59.4 -40.0 7.7 -14.4 -17.5 63 89 A R H X S+ 0 0 144 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.917 109.3 53.0 -62.3 -44.4 8.5 -11.9 -14.8 64 90 A Y H X S+ 0 0 34 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.897 111.5 46.1 -58.1 -43.7 6.4 -9.3 -16.7 65 91 A I H < S+ 0 0 30 -4,-2.4 3,-0.2 1,-0.2 -1,-0.2 0.879 112.8 50.2 -65.0 -41.1 3.4 -11.7 -16.8 66 92 A A H >< S+ 0 0 30 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.872 111.0 47.7 -69.1 -37.1 3.8 -12.6 -13.1 67 93 A E H 3< S+ 0 0 137 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.686 117.4 42.9 -76.7 -17.6 3.9 -9.0 -11.9 68 94 A N T >< + 0 0 34 -4,-0.9 3,-2.7 -3,-0.2 6,-0.3 -0.001 64.9 131.8-123.2 30.0 0.9 -8.1 -14.0 69 95 A R T < S+ 0 0 171 -3,-0.7 -1,-0.1 1,-0.3 6,-0.1 0.704 72.0 63.8 -50.5 -25.7 -1.5 -11.0 -13.4 70 96 A D T 3 S+ 0 0 121 -3,-0.2 2,-0.6 4,-0.1 -1,-0.3 0.522 84.9 88.7 -79.6 -7.7 -4.3 -8.5 -12.7 71 97 A Q <> - 0 0 35 -3,-2.7 4,-2.1 -6,-0.2 3,-0.4 -0.851 68.2-150.3-101.4 121.5 -4.1 -7.0 -16.2 72 98 A E H > S+ 0 0 73 -2,-0.6 4,-1.9 1,-0.2 -1,-0.1 0.873 97.2 51.8 -56.0 -44.8 -6.3 -8.7 -18.8 73 99 A G H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.852 109.7 50.5 -60.9 -36.9 -4.0 -8.0 -21.7 74 100 A V H > S+ 0 0 0 -3,-0.4 4,-2.2 -6,-0.3 -2,-0.2 0.893 106.5 52.6 -71.1 -41.6 -1.1 -9.5 -19.9 75 101 A R H X S+ 0 0 123 -4,-2.1 4,-2.1 -7,-0.3 -2,-0.2 0.908 110.3 50.4 -59.7 -41.8 -2.9 -12.8 -19.0 76 102 A F H X S+ 0 0 15 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.906 108.5 51.4 -60.3 -45.7 -3.7 -13.1 -22.7 77 103 A L H X S+ 0 0 7 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.867 108.6 52.9 -58.3 -39.6 -0.1 -12.6 -23.6 78 104 A G H X S+ 0 0 20 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.922 111.6 43.5 -63.1 -48.1 0.9 -15.3 -21.1 79 105 A K H X S+ 0 0 150 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.807 107.1 62.1 -67.1 -32.4 -1.5 -17.8 -22.6 80 106 A S H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.903 101.4 52.3 -57.4 -46.4 -0.4 -16.8 -26.1 81 107 A L H X S+ 0 0 6 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.923 110.4 48.0 -56.4 -47.8 3.2 -17.9 -25.4 82 108 A S H X>S+ 0 0 45 -4,-1.3 4,-3.4 2,-0.2 5,-0.9 0.935 111.0 51.1 -59.4 -47.2 1.9 -21.3 -24.2 83 109 A Y H X>S+ 0 0 31 -4,-2.7 5,-1.8 3,-0.2 4,-1.2 0.922 115.3 41.6 -56.4 -47.4 -0.3 -21.7 -27.3 84 110 A V H <5S+ 0 0 0 -4,-2.6 6,-2.5 3,-0.2 -2,-0.2 0.906 125.3 34.8 -66.6 -45.6 2.7 -20.9 -29.7 85 111 A R H <5S+ 0 0 86 -4,-2.8 4,-0.2 4,-0.2 -2,-0.2 0.933 129.8 30.3 -74.9 -48.5 5.3 -23.0 -27.8 86 112 A D H <5S+ 0 0 76 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.879 130.9 27.7 -87.6 -41.5 3.1 -25.8 -26.6 87 113 A Q T < - 0 0 95 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 -0.490 36.6-156.5 -67.5 117.5 10.4 -21.4 -30.8 92 118 A P H > S+ 0 0 23 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.877 91.0 46.8 -66.6 -40.1 9.2 -19.4 -27.7 93 119 A A H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.908 114.3 48.3 -66.2 -42.2 12.2 -17.0 -27.6 94 120 A A H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.877 111.1 51.0 -66.8 -39.3 12.0 -16.4 -31.3 95 121 A F H X S+ 0 0 6 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.938 111.9 47.2 -59.1 -48.7 8.2 -15.8 -31.1 96 122 A L H X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.899 112.9 47.3 -64.0 -44.0 8.7 -13.3 -28.2 97 123 A H H X S+ 0 0 44 -4,-2.5 4,-3.0 2,-0.2 5,-0.4 0.850 110.4 52.4 -68.5 -34.7 11.5 -11.4 -30.0 98 124 A E H X S+ 0 0 29 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.905 114.3 43.9 -63.8 -40.4 9.5 -11.2 -33.2 99 125 A M H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.898 117.7 44.0 -70.2 -43.1 6.6 -9.8 -31.3 100 126 A V H X S+ 0 0 1 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.954 119.7 40.7 -67.6 -52.5 8.8 -7.4 -29.3 101 127 A D H X>S+ 0 0 25 -4,-3.0 5,-1.0 1,-0.2 4,-0.9 0.888 115.9 54.6 -60.9 -41.3 10.8 -6.2 -32.2 102 128 A G H ><5S+ 0 0 3 -4,-2.1 3,-0.9 -5,-0.4 -2,-0.2 0.924 107.3 46.3 -58.1 -50.6 7.6 -6.2 -34.3 103 129 A I H 3<5S+ 0 0 22 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.745 107.2 59.0 -70.9 -22.4 5.6 -3.9 -32.0 104 130 A L H 3<5S- 0 0 55 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.736 93.8-148.2 -73.9 -21.8 8.6 -1.5 -31.7 105 131 A G T <<5 + 0 0 42 -3,-0.9 -3,-0.1 -4,-0.9 -2,-0.1 0.912 55.2 130.9 53.7 46.9 8.5 -1.1 -35.5 106 132 A C < + 0 0 55 -5,-1.0 2,-0.4 1,-0.1 -4,-0.1 0.444 56.5 55.6-111.3 -4.4 12.2 -0.5 -35.5 107 133 A N S S- 0 0 73 -6,-0.4 254,-0.2 -5,-0.1 3,-0.1 -0.990 88.2-107.2-129.7 140.3 13.1 -3.0 -38.3 108 134 A Y - 0 0 167 -2,-0.4 249,-0.1 1,-0.1 -2,-0.1 -0.379 56.3 -88.4 -54.6 137.2 11.9 -3.3 -41.9 109 135 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 248,-0.1 -0.288 51.5-136.8 -51.0 128.4 9.6 -6.3 -42.2 110 136 A V S S+ 0 0 108 1,-0.3 6,-0.5 2,-0.1 245,-0.0 -0.971 90.4 23.2-142.6 123.7 11.8 -9.3 -43.0 111 137 A P S S- 0 0 60 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.704 91.7-140.6 -67.8 159.5 11.0 -11.2 -45.0 112 138 A P S S+ 0 0 17 0, 0.0 247,-0.4 0, 0.0 3,-0.2 0.797 95.9 61.2 -55.3 -35.6 8.8 -8.5 -46.7 113 139 A R S S- 0 0 39 1,-0.3 31,-2.2 245,-0.1 246,-0.3 0.938 126.5 -34.2 -60.7 -54.7 6.0 -11.0 -47.5 114 140 A M - 0 0 1 -3,-0.2 -1,-0.3 29,-0.2 2,-0.0 -0.916 66.4 -92.7-160.5 151.2 5.3 -11.8 -43.9 115 141 A L > - 0 0 13 -2,-0.3 4,-2.3 -3,-0.2 5,-0.2 -0.387 45.9-117.5 -60.9 142.6 7.2 -12.1 -40.6 116 142 A N H > S+ 0 0 83 -6,-0.5 4,-1.5 2,-0.2 -1,-0.1 0.907 106.3 32.7 -55.8 -55.4 8.2 -15.8 -40.1 117 143 A I H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 115.5 58.0 -77.4 -36.5 6.3 -16.8 -37.0 118 144 A S H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.886 104.9 52.8 -54.3 -43.6 3.4 -14.5 -37.6 119 145 A E H X S+ 0 0 16 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.935 109.9 47.5 -58.5 -47.8 2.8 -16.3 -40.9 120 146 A K H X S+ 0 0 64 -4,-1.5 4,-0.8 -5,-0.2 -2,-0.2 0.841 116.8 43.6 -61.7 -37.4 2.8 -19.7 -39.2 121 147 A I H >X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 3,-0.5 0.952 114.2 47.4 -74.1 -51.9 0.4 -18.4 -36.5 122 148 A V H 3X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.834 107.4 56.3 -63.0 -35.3 -2.0 -16.5 -38.8 123 149 A R H 3X S+ 0 0 25 -4,-2.1 4,-3.1 -5,-0.3 -1,-0.2 0.826 101.7 57.3 -69.1 -30.1 -2.3 -19.4 -41.3 124 150 A Q H S+ 0 0 10 -4,-3.1 5,-2.4 1,-0.2 4,-0.3 0.894 114.2 47.0 -56.6 -42.3 -7.0 -22.6 -42.3 128 154 A R H ><5S+ 0 0 94 -4,-1.9 3,-1.1 -5,-0.2 -2,-0.2 0.943 115.0 42.7 -67.7 -50.0 -9.4 -23.2 -39.4 129 155 A E H 3<5S+ 0 0 15 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.718 114.7 51.6 -71.8 -21.2 -11.9 -20.4 -40.2 130 156 A M T 3<5S- 0 0 0 -4,-2.0 142,-3.3 -5,-0.2 145,-0.4 0.440 109.1-122.4 -92.4 -2.0 -11.9 -21.2 -43.9 131 157 A G T < 5S+ 0 0 18 -3,-1.1 3,-0.3 -4,-0.3 -3,-0.2 0.770 71.4 134.3 65.5 28.0 -12.6 -24.9 -43.2 132 158 A A > < + 0 0 1 -5,-2.4 3,-2.2 -6,-0.3 -4,-0.2 0.039 16.3 128.1 -97.9 25.5 -9.4 -25.7 -45.1 133 159 A D T 3 + 0 0 107 -6,-0.3 -1,-0.2 1,-0.3 4,-0.1 0.754 60.2 68.8 -56.0 -32.7 -8.1 -28.2 -42.6 134 160 A A T 3 S+ 0 0 105 -3,-0.3 -1,-0.3 -7,-0.1 -2,-0.1 0.616 86.1 84.5 -63.4 -13.7 -7.5 -31.0 -45.2 135 161 A I S < S- 0 0 12 -3,-2.2 5,-0.1 -8,-0.1 -3,-0.0 -0.808 92.2-113.4 -92.9 126.7 -4.6 -28.8 -46.6 136 162 A P > - 0 0 67 0, 0.0 3,-1.9 0, 0.0 4,-0.1 -0.366 21.5-129.2 -60.5 135.0 -1.2 -29.2 -44.8 137 163 A S G > S+ 0 0 22 1,-0.3 3,-1.6 2,-0.2 -10,-0.0 0.823 106.4 59.6 -52.3 -38.4 -0.4 -26.0 -43.0 138 164 A E G 3 S+ 0 0 125 1,-0.3 -1,-0.3 3,-0.0 -18,-0.0 0.628 97.3 61.7 -69.4 -15.5 3.1 -25.9 -44.6 139 165 A S G < S+ 0 0 11 -3,-1.9 166,-2.2 165,-0.1 2,-0.5 0.321 91.0 80.8 -93.2 6.3 1.5 -25.8 -48.0 140 166 A V E < -A 304 0A 0 -3,-1.6 2,-0.3 164,-0.2 164,-0.2 -0.963 59.2-174.6-117.0 121.4 -0.2 -22.5 -47.3 141 167 A N E -A 303 0A 39 162,-2.6 162,-2.1 -2,-0.5 2,-0.4 -0.895 7.8-151.8-116.8 149.5 1.7 -19.2 -47.6 142 168 A L E -A 302 0A 0 -2,-0.3 2,-0.5 160,-0.2 160,-0.2 -0.903 12.9-156.5-123.2 145.7 0.5 -15.7 -46.8 143 169 A F E -A 301 0A 2 158,-2.0 158,-1.9 -2,-0.4 2,-0.4 -0.986 25.5-139.0-115.8 113.8 1.2 -12.2 -48.0 144 170 A A E +A 300 0A 0 -31,-2.2 215,-0.6 -2,-0.5 2,-0.3 -0.644 33.8 171.7 -78.7 127.4 0.2 -9.7 -45.2 145 171 A V E -A 299 0A 0 154,-3.0 2,-2.3 -2,-0.4 154,-2.2 -0.843 47.2 -87.0-137.4 168.1 -1.5 -6.6 -46.7 146 172 A E S > S- 0 0 42 -2,-0.3 4,-1.0 152,-0.2 152,-0.3 -0.403 89.9 -63.4 -79.9 66.1 -3.4 -3.4 -45.8 147 173 A G H > S- 0 0 0 -2,-2.3 4,-1.8 150,-0.4 3,-0.5 -0.023 74.0 -61.8 77.2 172.5 -6.8 -5.1 -45.7 148 174 A G H > S+ 0 0 5 150,-0.3 4,-2.3 1,-0.2 5,-0.2 0.799 132.8 68.3 -56.6 -30.8 -8.8 -6.7 -48.4 149 175 A T H > S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.915 103.8 39.8 -54.1 -50.4 -8.7 -3.3 -50.1 150 176 A A H X S+ 0 0 11 -4,-1.0 4,-2.9 -3,-0.5 5,-0.2 0.890 111.4 59.3 -68.1 -40.6 -4.9 -3.5 -50.7 151 177 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.904 106.5 46.5 -52.2 -48.5 -5.1 -7.2 -51.6 152 178 A M H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.917 113.2 48.2 -65.6 -45.6 -7.5 -6.5 -54.5 153 179 A A H X S+ 0 0 54 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.937 115.7 45.4 -57.3 -48.5 -5.4 -3.6 -55.9 154 180 A Y H X S+ 0 0 32 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.894 112.2 50.7 -63.3 -43.6 -2.2 -5.8 -55.6 155 181 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.939 111.4 45.0 -64.7 -49.5 -3.7 -8.9 -57.2 156 182 A F H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.907 113.8 50.7 -61.9 -42.2 -5.2 -7.2 -60.3 157 183 A E H X S+ 0 0 58 -4,-1.8 4,-2.9 -5,-0.3 -1,-0.2 0.911 113.0 45.2 -61.3 -45.2 -2.0 -5.2 -60.9 158 184 A S H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 6,-0.3 0.824 110.1 55.0 -67.0 -34.8 0.2 -8.4 -60.6 159 185 A M H <>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 6,-1.7 0.921 114.1 41.6 -61.8 -46.3 -2.3 -10.3 -62.9 160 186 A K H ><5S+ 0 0 96 -4,-2.3 3,-1.3 4,-0.2 -2,-0.2 0.945 115.6 48.4 -63.3 -53.0 -1.8 -7.6 -65.5 161 187 A V H 3<5S+ 0 0 35 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.857 115.7 43.5 -59.8 -39.5 1.9 -7.2 -65.1 162 188 A N T 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.311 112.7-115.2 -94.5 7.5 2.6 -11.0 -65.3 163 189 A G T < 5S+ 0 0 4 -3,-1.3 -3,-0.2 2,-0.3 3,-0.1 0.720 81.0 121.5 69.2 25.1 0.2 -11.6 -68.2 164 190 A L S - 0 0 91 -2,-0.4 3,-2.7 -3,-0.1 24,-0.1 -0.877 38.4 -80.5-124.7 153.3 -5.2 -9.5 -70.4 167 193 A A T 3 S+ 0 0 79 -2,-0.3 25,-0.2 1,-0.3 24,-0.2 -0.259 119.7 25.1 -51.3 128.1 -7.4 -6.8 -71.9 168 194 A G T 3 S+ 0 0 49 23,-2.6 -1,-0.3 1,-0.4 24,-0.1 0.217 88.3 135.1 95.8 -15.0 -10.5 -8.4 -73.2 169 195 A D < - 0 0 30 -3,-2.7 24,-2.7 22,-0.1 2,-0.4 -0.358 57.8-116.7 -58.9 145.8 -10.3 -11.4 -70.8 170 196 A K E -bc 193 220A 54 49,-2.3 51,-2.0 22,-0.2 52,-1.1 -0.762 23.0-162.1 -92.6 131.2 -13.6 -12.3 -69.2 171 197 A V E -bc 194 222A 0 22,-3.2 24,-2.6 -2,-0.4 2,-0.4 -0.966 11.2-146.4-109.5 119.1 -14.0 -12.1 -65.4 172 198 A A E -bc 195 223A 0 50,-2.9 52,-3.6 -2,-0.5 2,-0.5 -0.744 16.5-164.6 -84.5 131.7 -16.9 -14.0 -63.9 173 199 A I E -bc 196 224A 2 22,-2.8 24,-2.3 -2,-0.4 2,-0.3 -0.963 19.2-130.6-126.8 114.8 -18.4 -12.2 -60.9 174 200 A G E -b 197 0A 1 50,-2.1 52,-0.3 -2,-0.5 24,-0.2 -0.481 48.2-114.1 -61.4 120.9 -20.8 -13.8 -58.4 175 201 A M E S+b 198 0A 46 22,-3.6 24,-3.2 -2,-0.3 2,-0.1 -0.905 88.8 46.5-129.1 152.3 -23.6 -11.4 -58.0 176 202 A P S S+ 0 0 16 0, 0.0 54,-0.4 0, 0.0 2,-0.3 0.313 79.6 160.4 -64.7 132.9 -25.2 -9.5 -56.3 177 203 A V - 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0 0 83 -2,-0.2 4,-1.6 1,-0.0 3,-0.8 -0.566 39.5 -95.1-100.3 171.9 -27.5 -0.0 -31.5 479 505 A E H 3> S+ 0 0 93 1,-0.3 4,-2.6 2,-0.2 3,-0.3 0.885 120.5 50.3 -56.6 -49.6 -30.8 -1.6 -30.4 480 506 A Y H 3> S+ 0 0 169 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.775 108.8 55.0 -62.6 -26.4 -33.0 1.6 -30.2 481 507 A E H <> S+ 0 0 50 -3,-0.8 4,-1.4 2,-0.2 -1,-0.2 0.864 109.6 45.0 -73.4 -38.5 -31.8 2.5 -33.7 482 508 A Y H X S+ 0 0 0 -4,-1.6 4,-2.1 -3,-0.3 -2,-0.2 0.864 112.7 53.1 -67.1 -38.3 -33.0 -0.9 -35.1 483 509 A A H X S+ 0 0 16 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.839 107.4 51.1 -64.0 -35.4 -36.2 -0.4 -33.1 484 510 A A H X S+ 0 0 20 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.824 108.5 51.3 -72.8 -33.5 -36.7 3.1 -34.7 485 511 A I H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.924 111.9 47.2 -64.9 -46.0 -36.3 1.5 -38.2 486 512 A G H X S+ 0 0 1 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.901 112.5 49.3 -60.6 -43.6 -38.9 -1.1 -37.4 487 513 A R H X S+ 0 0 127 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.877 110.9 48.8 -65.4 -42.3 -41.3 1.5 -36.0 488 514 A A H X S+ 0 0 4 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.828 114.6 46.2 -64.8 -34.8 -41.0 3.8 -39.0 489 515 A L H X S+ 0 0 3 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.701 111.0 52.6 -83.7 -22.1 -41.5 0.9 -41.3 490 516 A R H X S+ 0 0 64 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.885 108.9 48.4 -78.3 -42.3 -44.5 -0.4 -39.3 491 517 A Q H X S+ 0 0 58 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.878 109.9 53.9 -63.8 -37.5 -46.3 3.0 -39.4 492 518 A M H X S+ 0 0 11 -4,-1.4 4,-1.0 1,-0.2 -1,-0.2 0.887 112.8 43.2 -60.5 -41.3 -45.6 3.1 -43.1 493 519 A A H X S+ 0 0 1 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.853 112.7 52.2 -71.9 -37.9 -47.3 -0.3 -43.4 494 520 A D H X S+ 0 0 58 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.828 109.4 48.9 -68.6 -35.1 -50.2 0.6 -41.0 495 521 A E H < S+ 0 0 97 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.745 109.3 53.5 -76.2 -26.1 -50.9 3.8 -43.0 496 522 A L H < S+ 0 0 14 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.839 108.2 50.3 -71.1 -35.4 -50.9 1.6 -46.2 497 523 A Y H X S+ 0 0 82 -4,-1.6 4,-2.1 1,-0.2 3,-0.4 0.746 107.9 52.3 -74.7 -26.5 -53.5 -0.7 -44.5 498 524 A A T < S+ 0 0 70 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.612 109.8 49.7 -81.5 -12.8 -55.7 2.3 -43.6 499 525 A Q T 4 S+ 0 0 109 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.250 111.5 52.0-101.4 4.0 -55.5 3.3 -47.3 500 526 A Y T 4 S+ 0 0 84 -3,-0.4 -2,-0.2 -5,-0.0 -3,-0.1 0.783 117.8 30.0-101.1 -47.7 -56.4 -0.3 -48.0 501 527 A T < 0 0 75 -4,-2.1 -3,-0.0 1,-0.1 0, 0.0 -0.057 360.0 360.0 -86.6-167.8 -59.5 -0.6 -45.9 502 528 A Q 0 0 207 -3,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 -0.084 360.0 360.0 164.7 360.0 -61.5 2.5 -45.3