==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 17-JUN-11 3SIA . COMPND 2 MOLECULE: URE3-BP SEQUENCE SPECIFIC DNA BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 212 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12300.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 67.5 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 . 6 2.8 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 . 1 0.5 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 . 8 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 46.7 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+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 2 0 0 0 0 3 0 1 1 0 0 0 0 0 0 1 0 1 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 . 3 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 N 0 0 117 0, 0.0 7,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.2 29.8 41.2 -6.3 2 8 A F + 0 0 216 5,-0.1 2,-0.5 0, 0.0 5,-0.1 0.121 360.0 129.5-106.2 17.4 28.1 43.9 -8.4 3 9 A C > - 0 0 55 3,-0.2 3,-1.4 1,-0.1 0, 0.0 -0.635 54.7-149.1 -81.1 123.9 28.0 41.2 -11.2 4 10 A L T 3 S+ 0 0 117 -2,-0.5 3,-0.5 1,-0.3 -1,-0.1 0.722 95.3 50.7 -58.6 -30.6 24.6 40.7 -12.8 5 11 A W T 3 S+ 0 0 220 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.533 113.0 44.6 -89.4 -7.7 25.2 37.0 -13.5 6 12 A N S < S+ 0 0 69 -3,-1.4 2,-0.4 2,-0.1 -1,-0.2 -0.173 72.8 158.2-134.4 41.1 26.2 36.1 -10.0 7 13 A L - 0 0 119 -3,-0.5 -3,-0.1 -5,-0.1 -5,-0.1 -0.532 29.5-146.5 -75.7 123.5 23.7 37.8 -7.8 8 14 A Q - 0 0 88 -2,-0.4 -2,-0.1 -7,-0.2 -1,-0.0 -0.711 22.3-107.0 -88.1 139.9 23.4 36.3 -4.3 9 15 A P - 0 0 128 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.339 34.1-131.9 -56.0 141.2 20.1 36.2 -2.4 10 16 A I > - 0 0 129 1,-0.1 3,-0.8 -2,-0.0 2,-0.1 -0.698 25.8-100.2 -95.7 149.5 20.0 38.7 0.5 11 17 A Q T 3 S+ 0 0 145 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.505 109.2 21.8 -66.3 142.8 18.8 37.6 4.0 12 18 A G T 3 S- 0 0 62 1,-0.2 -1,-0.2 -2,-0.1 2,-0.1 0.871 86.1-170.6 65.3 37.6 15.1 38.7 4.6 13 19 A S X - 0 0 40 -3,-0.8 3,-1.9 1,-0.1 4,-0.4 -0.351 31.4-120.5 -54.3 135.7 14.3 39.0 0.9 14 20 A W G > S+ 0 0 205 1,-0.3 3,-1.0 2,-0.2 4,-0.4 0.743 109.0 67.2 -53.2 -27.7 11.0 40.7 0.2 15 21 A M G 3 S+ 0 0 136 1,-0.2 4,-0.3 2,-0.1 3,-0.3 0.768 99.1 50.1 -70.7 -25.3 9.8 37.6 -1.6 16 22 A G G <> S+ 0 0 27 -3,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.534 85.6 89.5 -86.0 -6.3 9.8 35.5 1.6 17 23 A A H <> S+ 0 0 34 -3,-1.0 4,-2.9 -4,-0.4 5,-0.3 0.852 80.5 57.2 -63.0 -41.7 7.8 38.0 3.7 18 24 A A H > S+ 0 0 85 -4,-0.4 4,-1.2 -3,-0.3 -1,-0.2 0.949 113.4 40.1 -53.0 -55.1 4.4 36.6 2.9 19 25 A C H > S+ 0 0 64 -4,-0.3 4,-1.2 2,-0.2 3,-0.3 0.912 114.8 53.9 -57.5 -46.4 5.4 33.1 4.2 20 26 A I H < S+ 0 0 44 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.899 107.2 48.9 -64.8 -43.1 7.3 34.6 7.2 21 27 A Y H < S+ 0 0 189 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.779 108.8 53.9 -66.8 -28.5 4.4 36.7 8.5 22 28 A Q H < S+ 0 0 87 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.748 90.5 98.3 -75.9 -24.1 2.0 33.7 8.3 23 29 A M S < S- 0 0 19 -4,-1.2 -3,-0.0 -3,-0.4 5,-0.0 -0.277 90.3 -92.2 -64.5 146.3 4.4 31.5 10.4 24 30 A P >> - 0 0 50 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.365 30.1-124.7 -55.0 135.3 3.7 31.2 14.1 25 31 A P H 3> S+ 0 0 80 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.854 110.5 61.3 -47.3 -45.4 5.5 33.8 16.3 26 32 A S H 34 S+ 0 0 31 2,-0.2 4,-0.5 1,-0.2 -3,-0.0 0.864 107.8 44.4 -48.3 -42.3 7.1 30.9 18.3 27 33 A V H X4 S+ 0 0 0 -3,-0.9 3,-1.1 1,-0.2 6,-0.2 0.956 114.7 46.7 -72.7 -49.1 8.8 29.7 15.1 28 34 A R H 3< S+ 0 0 79 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.739 110.9 53.5 -61.9 -29.5 9.9 33.1 14.0 29 35 A N T 3< S+ 0 0 107 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.584 88.4 105.1 -82.7 -10.3 11.3 34.1 17.4 30 36 A T S X S- 0 0 13 -3,-1.1 3,-1.1 -4,-0.5 -3,-0.0 -0.309 76.1-124.4 -84.1 154.5 13.5 31.0 17.8 31 37 A W T 3 S+ 0 0 57 1,-0.2 -1,-0.1 2,-0.1 -4,-0.0 0.800 109.4 53.5 -64.5 -28.7 17.4 30.9 17.5 32 38 A W T > S+ 0 0 2 1,-0.2 3,-2.2 57,-0.2 4,-0.4 0.501 74.6 106.0 -89.1 -1.8 17.2 28.2 14.8 33 39 A F G X + 0 0 42 -3,-1.1 3,-2.3 1,-0.3 4,-0.4 0.818 68.5 65.3 -46.1 -44.4 14.8 30.0 12.4 34 40 A P G > S+ 0 0 59 0, 0.0 3,-0.7 0, 0.0 -1,-0.3 0.748 85.5 73.9 -58.0 -21.7 17.5 30.9 9.8 35 41 A L G X S+ 0 0 24 -3,-2.2 3,-1.6 1,-0.2 4,-0.2 0.875 88.2 63.3 -49.8 -36.5 17.9 27.2 9.1 36 42 A L G X S+ 0 0 20 -3,-2.3 3,-1.2 -4,-0.4 -1,-0.2 0.836 96.6 54.4 -62.8 -34.9 14.5 27.5 7.3 37 43 A N G < S+ 0 0 105 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.372 96.5 67.7 -83.2 6.8 15.9 30.0 4.6 38 44 A T G < S+ 0 0 70 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.469 82.8 89.9 -95.9 -1.6 18.7 27.5 3.7 39 45 A I S < S- 0 0 26 -3,-1.2 2,-0.1 -4,-0.2 5,-0.0 -0.824 71.1-140.7-105.9 118.0 16.2 25.0 2.3 40 46 A P >> - 0 0 62 0, 0.0 3,-2.1 0, 0.0 4,-0.6 -0.450 22.9-116.1 -75.0 153.7 15.3 25.3 -1.4 41 47 A L H >> S+ 0 0 145 1,-0.3 3,-1.1 2,-0.2 4,-0.7 0.814 113.2 64.9 -54.3 -36.0 11.7 24.7 -2.5 42 48 A D H 34 S+ 0 0 115 1,-0.3 -1,-0.3 2,-0.2 4,-0.3 0.561 101.4 49.0 -69.3 -12.2 12.7 21.7 -4.5 43 49 A Q H <> S+ 0 0 74 -3,-2.1 4,-3.0 2,-0.1 -1,-0.3 0.456 90.9 84.8 -98.3 -9.3 13.7 19.9 -1.2 44 50 A Y H S+ 0 0 128 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.953 113.1 44.7 -60.6 -47.7 11.5 15.5 -0.2 47 53 A I H X S+ 0 0 2 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.881 112.4 52.2 -64.7 -37.5 11.3 16.7 3.5 48 54 A Y H X S+ 0 0 100 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.888 107.3 52.3 -66.3 -41.5 7.5 16.5 3.4 49 55 A Q H X S+ 0 0 115 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.872 111.1 47.8 -58.9 -39.1 7.7 12.9 2.2 50 56 A W H X S+ 0 0 65 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.917 109.2 53.1 -67.0 -46.0 10.0 12.1 5.0 51 57 A F H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 3,-0.3 0.905 106.3 54.1 -51.1 -46.5 7.7 13.9 7.5 52 58 A M H < S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.855 105.5 53.2 -62.1 -37.7 4.8 11.7 6.2 53 59 A G H < S+ 0 0 67 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.809 113.8 41.6 -65.7 -33.7 6.9 8.6 6.9 54 60 A V H < S+ 0 0 7 -4,-1.6 2,-2.1 -3,-0.3 -2,-0.2 0.845 95.9 82.8 -82.0 -34.3 7.5 9.6 10.5 55 61 A D >< + 0 0 11 -4,-2.6 3,-1.6 -5,-0.2 -1,-0.2 -0.430 57.6 175.3 -71.9 79.2 3.9 10.9 11.2 56 62 A R T 3 S+ 0 0 83 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.719 75.2 44.0 -62.3 -29.5 2.4 7.5 11.9 57 63 A D T 3 S- 0 0 101 4,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.303 104.6-124.0 -98.8 12.2 -1.2 8.8 12.8 58 64 A R < + 0 0 222 -3,-1.6 -2,-0.1 -6,-0.2 4,-0.1 0.789 64.3 142.0 49.3 34.5 -1.4 11.3 9.9 59 65 A S S S- 0 0 58 2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.613 70.5-116.2 -76.5 -11.8 -2.0 14.2 12.3 60 66 A G S S+ 0 0 41 1,-0.3 40,-0.4 -5,-0.1 2,-0.3 0.649 90.6 78.5 83.1 11.0 0.1 16.5 10.3 61 67 A T S S- 0 0 33 38,-0.1 2,-0.5 39,-0.1 -2,-0.4 -0.974 76.9-121.8-147.2 159.6 2.4 16.7 13.3 62 68 A L B -A 98 0A 0 36,-2.5 36,-2.3 -2,-0.3 2,-0.2 -0.915 23.3-165.8-109.3 131.7 5.1 14.7 15.0 63 69 A E > - 0 0 33 -2,-0.5 4,-1.7 34,-0.2 3,-0.4 -0.628 38.6 -98.8-107.0 169.6 4.8 13.5 18.6 64 70 A I H > S+ 0 0 63 32,-0.4 4,-2.4 1,-0.3 5,-0.2 0.900 122.4 54.2 -63.1 -40.5 7.6 12.2 20.8 65 71 A N H > S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.904 107.3 52.7 -58.0 -38.7 6.7 8.5 20.2 66 72 A E H > S+ 0 0 14 -3,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.858 109.0 49.3 -65.0 -35.6 6.9 9.1 16.4 67 73 A L H < S+ 0 0 0 -4,-1.7 11,-0.5 2,-0.2 -1,-0.2 0.879 110.5 50.3 -66.7 -39.4 10.4 10.6 16.9 68 74 A M H < S+ 0 0 52 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.839 119.4 37.6 -66.9 -35.9 11.4 7.6 19.0 69 75 A M H < S+ 0 0 124 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.560 98.2 106.1 -88.1 -14.2 10.1 5.2 16.3 70 76 A G < - 0 0 5 -4,-1.2 2,-0.5 -5,-0.1 8,-0.4 -0.272 58.6-142.6 -77.6 153.0 11.2 7.2 13.2 71 77 A Q - 0 0 119 -21,-0.1 6,-0.2 6,-0.1 3,-0.1 -0.945 24.7-169.8-106.7 135.1 13.9 6.7 10.7 72 78 A F B >> -B 76 0B 2 4,-2.1 3,-1.1 -2,-0.5 4,-0.7 -0.670 36.3 -58.5-116.2 172.7 15.6 9.8 9.6 73 79 A P G >4 S+ 0 0 5 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.226 119.9 22.9 -58.9 143.0 18.2 10.6 6.8 74 80 A G G 34 S- 0 0 44 1,-0.2 90,-0.1 -3,-0.1 -3,-0.0 0.635 131.7 -69.7 79.5 17.9 21.5 8.8 6.9 75 81 A G G <4 S+ 0 0 42 -3,-1.1 -1,-0.2 1,-0.2 2,-0.2 0.707 83.9 168.4 70.1 22.5 20.0 5.9 9.0 76 82 A I B << -B 72 0B 0 -4,-0.7 -4,-2.1 -3,-0.5 2,-0.3 -0.459 11.6-177.3 -69.0 133.5 19.7 8.2 12.0 77 83 A R - 0 0 105 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.1 -0.985 16.2-139.1-128.2 151.4 17.7 6.9 15.0 78 84 A L - 0 0 8 -11,-0.5 -8,-0.1 -8,-0.4 88,-0.1 -0.914 9.2-138.9-115.2 125.3 16.9 8.8 18.2 79 85 A S > - 0 0 56 -2,-0.5 4,-2.6 86,-0.2 5,-0.2 -0.181 40.8 -96.4 -63.4 169.8 16.9 7.2 21.7 80 86 A P H > S+ 0 0 92 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.904 126.8 50.4 -55.8 -39.7 14.1 8.2 24.0 81 87 A Q H > S+ 0 0 126 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.874 112.4 45.1 -63.4 -47.0 16.4 10.9 25.6 82 88 A T H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.893 109.0 55.7 -69.8 -38.7 17.4 12.4 22.3 83 89 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.924 108.6 49.7 -57.9 -45.0 13.8 12.4 20.9 84 90 A L H X S+ 0 0 64 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.878 107.9 52.8 -60.1 -41.8 12.9 14.5 24.0 85 91 A R H X S+ 0 0 32 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.918 108.0 51.9 -60.2 -40.1 15.8 16.9 23.3 86 92 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.880 109.5 49.2 -64.7 -36.3 14.5 17.3 19.8 87 93 A M H X S+ 0 0 15 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.891 110.0 50.8 -65.5 -41.7 11.1 18.1 21.2 88 94 A R H < S+ 0 0 154 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.859 116.8 41.6 -67.6 -32.3 12.6 20.7 23.6 89 95 A I H < S+ 0 0 1 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.939 127.3 26.2 -73.7 -49.3 14.5 22.4 20.7 90 96 A F H < S+ 0 0 0 -4,-2.4 2,-1.9 -5,-0.2 9,-0.2 0.707 98.2 79.8-103.0 -23.0 11.9 22.4 18.0 91 97 A D >< + 0 0 12 -4,-2.1 3,-1.5 -5,-0.3 -1,-0.2 -0.601 54.6 165.4 -80.7 77.1 8.4 22.3 19.7 92 98 A T T 3 + 0 0 22 -2,-1.9 -1,-0.2 1,-0.3 6,-0.1 0.691 69.6 59.5 -75.1 -16.5 8.8 26.1 20.3 93 99 A D T 3 S- 0 0 57 4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.517 101.3-135.4 -81.2 -11.5 5.0 26.3 21.1 94 100 A F < + 0 0 156 -3,-1.5 -2,-0.1 -7,-0.2 -6,-0.0 0.870 67.8 125.4 55.0 38.0 5.5 23.8 24.0 95 101 A N S S- 0 0 89 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.424 83.1-108.6-102.2 1.4 2.4 21.9 22.8 96 102 A G S S+ 0 0 38 1,-0.3 -32,-0.4 -5,-0.2 2,-0.4 0.615 87.9 102.0 80.6 12.5 4.0 18.4 22.5 97 103 A H - 0 0 74 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.4 -0.972 61.7-146.5-125.8 144.1 3.8 18.5 18.7 98 104 A I B -A 62 0A 0 -36,-2.3 -36,-2.5 -2,-0.4 -7,-0.1 -0.964 24.6-148.8-102.5 117.6 6.5 19.3 16.0 99 105 A S > - 0 0 35 -2,-0.6 4,-3.0 -9,-0.2 5,-0.2 -0.255 31.0 -98.3 -73.4 172.6 4.8 21.0 13.1 100 106 A F H > S+ 0 0 24 -40,-0.4 4,-2.5 2,-0.2 5,-0.1 0.901 126.4 49.6 -63.0 -39.9 6.0 20.6 9.5 101 107 A Y H > S+ 0 0 81 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.906 111.4 49.4 -68.0 -38.1 8.0 23.8 9.6 102 108 A E H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.913 111.1 49.9 -64.4 -39.2 9.5 22.7 13.0 103 109 A F H X S+ 0 0 0 -4,-3.0 4,-3.5 1,-0.2 -2,-0.2 0.895 103.7 59.2 -66.9 -38.2 10.4 19.4 11.4 104 110 A M H X S+ 0 0 14 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.913 108.2 46.1 -54.2 -44.7 12.0 21.2 8.4 105 111 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.901 113.0 48.8 -59.7 -46.6 14.4 22.9 10.9 106 112 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.891 110.8 51.0 -63.6 -45.7 15.1 19.6 12.6 107 113 A Y H X S+ 0 0 14 -4,-3.5 4,-2.4 2,-0.2 -2,-0.2 0.933 111.9 46.1 -55.5 -49.6 15.8 17.9 9.3 108 114 A K H X S+ 0 0 56 -4,-2.3 4,-3.1 -5,-0.2 5,-0.2 0.933 111.5 52.9 -62.0 -43.2 18.2 20.6 8.2 109 115 A F H X S+ 0 0 8 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.923 110.6 47.3 -55.4 -48.3 19.9 20.5 11.6 110 116 A M H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.886 110.6 51.5 -62.9 -39.1 20.3 16.7 11.3 111 117 A E H X S+ 0 0 41 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.908 110.2 49.3 -66.2 -42.3 21.7 17.1 7.7 112 118 A L H X S+ 0 0 63 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.947 113.8 46.5 -57.8 -47.4 24.3 19.7 8.9 113 119 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.889 112.0 50.4 -63.5 -40.2 25.3 17.3 11.8 114 120 A Y H X S+ 0 0 75 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.940 108.7 52.1 -65.1 -45.6 25.5 14.3 9.4 115 121 A N H X S+ 0 0 90 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.932 111.2 46.9 -56.9 -45.6 27.7 16.3 7.0 116 122 A L H X S+ 0 0 20 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.836 108.4 56.7 -68.2 -32.4 30.1 17.2 9.8 117 123 A F H >X S+ 0 0 10 -4,-1.9 4,-2.0 2,-0.2 3,-0.5 0.982 110.0 43.3 -58.4 -54.1 30.2 13.6 11.0 118 124 A V H 3< S+ 0 0 82 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.857 115.1 50.7 -62.6 -35.1 31.3 12.3 7.6 119 125 A M H 3< S+ 0 0 113 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.785 117.2 38.5 -71.4 -31.2 33.8 15.1 7.3 120 126 A N H << S+ 0 0 11 -4,-1.7 2,-2.0 -3,-0.5 3,-0.4 0.578 87.6 93.3-103.5 -8.1 35.4 14.5 10.7 121 127 A A < + 0 0 14 -4,-2.0 5,-0.2 1,-0.2 7,-0.1 -0.537 48.7 135.3 -82.5 78.2 35.3 10.7 10.9 122 128 A R + 0 0 207 -2,-2.0 3,-0.2 3,-0.1 -1,-0.2 0.804 58.6 53.6 -99.9 -36.1 38.8 10.5 9.5 123 129 A A S S+ 0 0 57 -3,-0.4 2,-0.3 1,-0.3 -2,-0.1 0.876 129.8 4.1 -68.2 -39.8 40.6 7.9 11.7 124 130 A R S > S- 0 0 143 3,-0.5 3,-1.6 5,-0.0 -1,-0.3 -0.922 84.0-115.7-150.0 120.6 37.8 5.3 11.1 125 131 A S T 3 S+ 0 0 116 -2,-0.3 -3,-0.1 1,-0.2 3,-0.1 -0.240 97.9 21.4 -57.4 136.7 34.9 5.7 8.7 126 132 A G T 3 S+ 0 0 39 -5,-0.2 38,-0.5 1,-0.2 2,-0.3 0.477 114.6 71.7 86.2 6.5 31.5 5.7 10.5 127 133 A T < - 0 0 24 -3,-1.6 2,-0.5 36,-0.2 -3,-0.5 -0.984 67.8-137.8-145.9 150.4 32.8 6.6 13.9 128 134 A L B -C 162 0C 0 34,-2.2 34,-1.9 -2,-0.3 -7,-0.1 -0.978 19.3-146.9-105.8 123.0 34.1 9.7 15.6 129 135 A E >> - 0 0 53 -2,-0.5 3,-1.6 32,-0.2 4,-0.6 -0.392 37.9 -96.7 -71.4 161.4 37.1 9.1 17.9 130 136 A P H >> S+ 0 0 47 0, 0.0 3,-1.1 0, 0.0 4,-0.6 0.854 122.4 54.9 -55.0 -39.7 37.2 11.4 21.0 131 137 A H H 34 S+ 0 0 102 1,-0.2 19,-0.1 2,-0.2 18,-0.0 0.589 101.1 60.3 -70.5 -14.7 39.7 13.9 19.4 132 138 A E H <> S+ 0 0 9 -3,-1.6 4,-1.6 1,-0.1 -1,-0.2 0.614 88.8 71.9 -85.3 -13.7 37.4 14.4 16.3 133 139 A I H S+ 0 0 40 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.903 114.0 54.5 -64.0 -34.2 36.6 20.1 15.6 136 142 A A H X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.943 111.6 45.1 -64.7 -44.2 33.2 18.8 14.4 137 143 A L H X>S+ 0 0 0 -4,-2.5 5,-2.8 2,-0.2 4,-0.7 0.895 111.7 52.7 -68.2 -32.5 31.4 20.8 17.1 138 144 A Q H ><5S+ 0 0 83 -4,-2.3 3,-1.1 -5,-0.3 -2,-0.2 0.921 105.7 54.3 -67.3 -42.6 33.4 23.9 16.4 139 145 A Q H 3<5S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.845 106.4 52.6 -54.8 -36.4 32.5 23.6 12.7 140 146 A L H 3<5S- 0 0 39 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.643 128.4 -98.9 -77.5 -11.5 28.8 23.6 13.8 141 147 A G T <<5S+ 0 0 25 -3,-1.1 2,-0.9 -4,-0.7 -3,-0.2 0.458 84.5 127.7 111.4 -1.2 29.3 26.8 15.9 142 148 A F < - 0 0 15 -5,-2.8 2,-1.7 -6,-0.2 -1,-0.2 -0.809 42.6-163.0 -96.6 99.1 29.8 25.2 19.4 143 149 A Y + 0 0 103 -2,-0.9 63,-0.1 55,-0.5 2,-0.1 -0.460 29.9 149.8 -88.3 69.8 33.0 26.7 20.7 144 150 A I - 0 0 9 -2,-1.7 2,-0.2 -10,-0.2 59,-0.1 -0.282 40.9-112.8 -89.8 177.3 33.8 24.2 23.5 145 151 A N > - 0 0 73 57,-0.2 4,-2.2 -2,-0.1 5,-0.2 -0.592 31.3 -98.8-110.2 172.6 37.2 23.2 24.9 146 152 A Q H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.916 120.6 56.6 -57.6 -48.6 39.1 19.8 24.9 147 153 A R H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.950 111.5 44.5 -46.5 -54.1 38.0 18.9 28.4 148 154 A T H > S+ 0 0 9 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.856 108.7 55.1 -62.3 -39.5 34.3 19.3 27.3 149 155 A S H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.919 111.2 45.3 -63.8 -42.8 34.7 17.4 24.0 150 156 A L H X S+ 0 0 78 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.883 111.5 53.2 -68.4 -37.0 36.1 14.4 25.9 151 157 A L H X S+ 0 0 23 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.926 108.9 49.3 -60.5 -43.5 33.4 14.6 28.5 152 158 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.885 109.9 50.4 -64.5 -41.5 30.7 14.6 25.8 153 159 A H H X S+ 0 0 10 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.934 113.8 46.9 -60.2 -43.7 32.2 11.6 24.1 154 160 A R H < S+ 0 0 68 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.903 116.0 43.5 -63.1 -45.3 32.2 9.8 27.5 155 161 A L H < S+ 0 0 64 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.864 124.9 31.0 -71.1 -37.8 28.7 10.8 28.4 156 162 A F H < 0 0 28 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.616 360.0 360.0-104.4 -20.6 27.0 10.1 25.0 157 163 A A < 0 0 33 -4,-2.3 -1,-0.1 -5,-0.3 5,-0.1 -0.847 360.0 360.0 -88.4 360.0 29.0 7.2 23.5 158 ! 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 0.0 159 166 A M 0 0 95 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 170.1 32.6 3.4 24.3 160 167 A A + 0 0 69 -31,-0.1 2,-0.2 -30,-0.0 -3,-0.0 0.917 360.0 22.6 -51.3 -57.9 35.8 3.6 22.2 161 168 A F S S- 0 0 59 -32,-0.1 2,-0.6 -31,-0.1 -32,-0.2 -0.661 75.5-126.1-116.1 163.1 34.2 5.3 19.2 162 169 A C B -C 128 0C 0 -34,-1.9 -34,-2.2 -2,-0.2 -5,-0.1 -0.928 25.8-151.0-116.2 109.5 31.1 7.5 18.8 163 170 A D > - 0 0 78 -2,-0.6 4,-2.4 -36,-0.2 5,-0.2 -0.060 34.2 -92.9 -70.5 173.9 28.7 6.3 16.1 164 171 A L H > S+ 0 0 25 -38,-0.5 4,-2.3 1,-0.2 5,-0.2 0.900 125.1 51.9 -56.9 -45.8 26.4 8.6 14.1 165 172 A N H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 110.0 49.1 -60.9 -41.5 23.4 8.2 16.4 166 173 A C H > S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.882 109.6 53.2 -64.0 -39.0 25.6 9.1 19.4 167 174 A W H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.898 107.2 50.6 -61.9 -42.0 26.9 12.1 17.5 168 175 A I H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.888 107.7 54.8 -64.8 -35.1 23.4 13.3 16.9 169 176 A A H X S+ 0 0 9 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.901 109.4 47.1 -61.8 -41.7 22.7 12.9 20.6 170 177 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.927 112.4 48.8 -63.7 -46.4 25.7 15.1 21.3 171 178 A C H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.865 109.7 52.3 -63.9 -36.6 24.5 17.7 18.8 172 179 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.849 108.8 50.7 -66.3 -39.1 21.0 17.6 20.2 173 180 A F H X S+ 0 0 8 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.927 111.2 47.8 -62.7 -44.7 22.3 18.3 23.7 174 181 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.897 114.9 46.1 -63.5 -43.7 24.4 21.2 22.4 175 182 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.862 110.3 52.2 -67.4 -37.7 21.4 22.6 20.6 176 183 A Q H X S+ 0 0 43 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.887 107.7 53.0 -66.4 -37.2 19.0 22.1 23.6 177 184 A T H X S+ 0 0 8 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.865 106.3 53.9 -63.1 -34.2 21.6 24.0 25.7 178 185 A R H X S+ 0 0 35 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.917 109.7 46.4 -63.8 -46.0 21.3 26.8 23.1 179 186 A S H X S+ 0 0 18 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.897 112.2 51.5 -58.7 -44.0 17.5 26.9 23.5 180 187 A A H X S+ 0 0 41 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.925 108.7 50.7 -61.9 -45.5 18.0 26.9 27.3 181 188 A Y H X S+ 0 0 39 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.897 109.6 50.8 -53.4 -45.4 20.4 29.8 27.0 182 189 A Q H X S+ 0 0 43 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.934 112.9 46.1 -61.0 -47.1 17.8 31.7 24.9 183 190 A M H >X S+ 0 0 114 -4,-2.6 3,-0.9 2,-0.2 4,-0.6 0.953 112.8 49.0 -62.3 -50.2 15.2 31.0 27.6 184 191 A I H >< S+ 0 0 68 -4,-3.2 3,-1.6 1,-0.2 6,-0.2 0.943 112.7 46.3 -55.3 -52.0 17.4 32.0 30.5 185 192 A F H 3< S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.548 100.5 66.8 -78.1 -3.9 18.6 35.3 29.0 186 193 A M H << S+ 0 0 116 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.608 77.1 104.3 -79.7 -19.8 15.0 36.3 28.0 187 194 A N S X< S- 0 0 75 -3,-1.6 3,-1.9 -4,-0.6 4,-0.1 -0.536 75.4-138.5 -62.8 123.2 14.2 36.5 31.7 188 195 A P G > S+ 0 0 110 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.716 94.4 77.8 -62.5 -20.5 14.1 40.3 32.5 189 196 A Y G 3 S+ 0 0 200 1,-0.3 -4,-0.1 2,-0.0 -2,-0.0 0.807 89.0 57.9 -51.6 -32.7 16.0 39.7 35.8 190 197 A Y G < S- 0 0 130 -3,-1.9 -1,-0.3 1,-0.3 -5,-0.0 0.393 113.0-118.1 -91.9 7.9 19.3 39.4 33.7 191 198 A G < - 0 0 34 -3,-1.8 -1,-0.3 -4,-0.1 3,-0.1 -0.368 63.3 -10.1 98.2-172.3 18.9 42.9 32.2 192 199 A P S S- 0 0 134 0, 0.0 2,-0.3 0, 0.0 -6,-0.0 -0.326 86.7 -97.5 -57.0 142.4 18.4 43.9 28.5 193 200 A M - 0 0 82 -7,-0.1 -7,-0.1 1,-0.1 3,-0.1 -0.468 38.6-141.9 -68.2 123.8 19.0 40.9 26.2 194 201 A K - 0 0 84 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.528 27.7 -96.3 -80.3 148.6 22.6 40.9 24.9 195 202 A P - 0 0 122 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.251 53.9 -88.6 -59.6 154.3 23.3 39.8 21.2 196 203 A F - 0 0 87 -3,-0.1 -3,-0.0 4,-0.0 -14,-0.0 -0.497 41.8-166.6 -70.1 134.6 24.4 36.2 20.9 197 204 A N > - 0 0 70 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.977 10.4-156.3-122.7 111.1 28.2 35.7 21.2 198 205 A P H > S+ 0 0 49 0, 0.0 4,-2.3 0, 0.0 -55,-0.5 0.839 92.9 52.0 -61.7 -32.1 29.3 32.2 20.2 199 206 A M H > S+ 0 0 143 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.939 112.2 45.6 -69.5 -43.9 32.5 32.3 22.2 200 207 A E H > S+ 0 0 97 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.904 113.0 50.7 -64.6 -41.3 30.6 33.3 25.4 201 208 A F H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.890 103.9 58.9 -64.7 -37.5 28.0 30.6 24.7 202 209 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.903 105.6 49.2 -54.3 -40.3 30.8 28.1 24.2 203 210 A K H X S+ 0 0 121 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.911 109.2 52.0 -68.1 -37.9 31.9 28.8 27.8 204 211 A F H X S+ 0 0 50 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.936 109.1 50.0 -61.4 -46.5 28.3 28.4 29.0 205 212 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.885 107.8 53.9 -59.9 -38.9 28.1 25.0 27.2 206 213 A D H X S+ 0 0 27 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.936 112.0 45.3 -58.9 -48.2 31.4 23.9 28.9 207 214 A V H X S+ 0 0 93 -4,-2.2 4,-0.8 2,-0.2 3,-0.4 0.947 113.6 46.5 -63.5 -49.0 29.9 24.8 32.3 208 215 A V H >< S+ 0 0 32 -4,-2.7 3,-1.0 1,-0.2 4,-0.5 0.884 108.0 58.9 -63.8 -38.1 26.6 23.1 31.7 209 216 A T H >< S+ 0 0 0 -4,-2.6 3,-1.6 -5,-0.2 4,-0.3 0.884 98.9 57.9 -54.2 -38.6 28.4 20.0 30.3 210 217 A S H >< S+ 0 0 62 -4,-1.4 3,-0.9 -3,-0.4 -1,-0.2 0.754 98.2 61.5 -66.1 -23.5 30.2 19.6 33.6 211 218 A L T << S+ 0 0 130 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.636 87.5 73.1 -77.1 -14.9 26.8 19.4 35.4 212 219 A L T < 0 0 64 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.678 360.0 360.0 -76.9 -13.5 26.0 16.2 33.4 213 220 A E < 0 0 184 -3,-0.9 -62,-0.0 -4,-0.3 -58,-0.0 -0.696 360.0 360.0-125.9 360.0 28.6 14.2 35.6