==== 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 DNA-BINDING PROTEIN 03-MAR-09 2WBT . COMPND 2 MOLECULE: B-129; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS VIRUS 1; . AUTHOR B.J.EILERS,S.MENON,A.B.WINDHAM,P.KRAFT,M.DLAKIC,M.J.YOUNG, . 236 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13349.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 64.0 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 . 15 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.7 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 . 11 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 43.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 0 0 2 0 0 3 0 1 1 0 0 3 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 . 2 2 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 ANTIPARALLEL 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 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 5 A D 0 0 224 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.1 36.8 78.6 8.4 2 6 A V + 0 0 130 1,-0.0 2,-0.0 0, 0.0 0, 0.0 -0.674 360.0 179.9-111.7 157.1 34.3 76.0 7.1 3 7 A D > + 0 0 116 -2,-0.2 3,-1.8 1,-0.1 -1,-0.0 -0.509 8.6 173.5-154.3 73.2 33.2 74.7 3.7 4 8 A S T 3 S+ 0 0 116 1,-0.3 -1,-0.1 3,-0.0 0, 0.0 0.809 77.0 53.9 -61.0 -36.2 30.5 72.0 4.1 5 9 A G T 3 S+ 0 0 66 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.212 77.7 130.6 -86.6 14.4 29.7 71.6 0.4 6 10 A S < - 0 0 28 -3,-1.8 3,-0.2 1,-0.1 -3,-0.1 -0.424 45.9-157.5 -63.5 143.2 33.4 70.9 -0.5 7 11 A K > + 0 0 154 1,-0.1 3,-0.7 2,-0.1 4,-0.2 0.173 68.8 95.9-113.2 15.9 33.8 67.8 -2.6 8 12 A K G > + 0 0 145 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.560 65.9 80.1 -83.0 -8.7 37.4 66.9 -1.9 9 13 A Y G > S+ 0 0 115 -3,-0.2 3,-0.5 1,-0.2 -1,-0.2 0.809 88.1 60.6 -57.9 -30.9 36.3 64.5 0.8 10 14 A L G < S+ 0 0 70 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.803 114.3 30.5 -64.5 -32.8 35.7 62.2 -2.3 11 15 A S G < S+ 0 0 75 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.2 0.133 82.1 139.1-120.0 17.5 39.3 62.2 -3.4 12 16 A N < - 0 0 44 -3,-0.5 3,-0.4 -4,-0.4 126,-0.1 -0.424 45.6-147.6 -67.6 138.2 41.2 62.6 -0.1 13 17 A H S S+ 0 0 154 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.787 97.2 63.4 -79.9 -30.5 44.4 60.4 0.2 14 18 A K S S- 0 0 124 1,-0.2 2,-0.3 118,-0.1 119,-0.2 0.693 104.1-148.7 -63.1 -22.7 44.0 59.9 3.9 15 19 A G + 0 0 2 -3,-0.4 2,-0.4 117,-0.2 -1,-0.2 -0.645 49.0 24.1 100.9-142.4 40.8 58.2 3.0 16 20 A I E -A 131 0A 0 115,-1.6 115,-2.6 -2,-0.3 2,-0.9 -0.504 62.1-147.1 -73.0 119.8 37.4 57.8 4.8 17 21 A F E -A 130 0A 93 -2,-0.4 2,-0.7 113,-0.2 113,-0.2 -0.783 14.2-170.4 -88.5 105.5 36.7 60.6 7.3 18 22 A I E -A 129 0A 2 111,-2.9 111,-2.6 -2,-0.9 2,-0.2 -0.879 20.2-134.5 -96.7 111.9 34.6 59.1 10.2 19 23 A H E +A 128 0A 117 -2,-0.7 2,-0.3 109,-0.3 109,-0.3 -0.458 34.3 174.3 -68.4 135.7 33.4 61.9 12.4 20 24 A V - 0 0 4 107,-1.9 -1,-0.0 -2,-0.2 137,-0.0 -0.937 29.4-106.1-145.0 158.4 33.9 61.0 16.1 21 25 A T > - 0 0 75 -2,-0.3 4,-0.9 1,-0.1 -1,-0.1 0.018 40.9-100.0 -73.8-173.8 33.5 62.5 19.6 22 26 A L H > S+ 0 0 121 2,-0.2 4,-1.4 3,-0.1 5,-0.2 0.806 116.5 53.5 -80.2 -32.0 36.4 63.7 21.8 23 27 A E H > S+ 0 0 119 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.923 116.4 35.6 -69.8 -46.0 36.5 60.6 24.1 24 28 A E H > S+ 0 0 8 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.699 110.0 63.9 -85.0 -23.0 36.8 58.0 21.2 25 29 A L H X S+ 0 0 35 -4,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.941 111.4 37.5 -58.7 -51.7 39.0 60.3 19.0 26 30 A K H < S+ 0 0 156 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.866 115.2 55.0 -67.9 -39.0 41.7 60.2 21.7 27 31 A R H < S+ 0 0 81 -4,-1.4 3,-0.5 1,-0.2 -1,-0.2 0.737 105.6 54.0 -66.7 -24.9 40.9 56.5 22.4 28 32 A Y H >< S+ 0 0 16 -4,-1.4 3,-1.5 1,-0.2 -2,-0.2 0.912 107.7 47.5 -74.0 -46.1 41.5 55.8 18.7 29 33 A H T 3< S+ 0 0 117 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.198 104.7 64.5 -80.5 16.1 45.0 57.4 18.7 30 34 A Q T 3 S+ 0 0 158 -3,-0.5 -1,-0.3 -5,-0.1 -2,-0.2 0.373 83.0 100.8-107.5 -6.4 45.6 55.3 21.9 31 35 A L S < S- 0 0 13 -3,-1.5 -3,-0.0 1,-0.1 129,-0.0 -0.452 82.3-105.9 -74.8 151.4 45.3 52.1 19.9 32 36 A T >> - 0 0 70 -2,-0.1 4,-2.1 1,-0.1 3,-0.6 -0.382 31.0-108.2 -70.1 155.6 48.4 50.2 18.8 33 37 A P H 3> S+ 0 0 110 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.825 122.7 56.0 -51.5 -33.4 49.4 50.3 15.1 34 38 A E H 3> S+ 0 0 97 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.836 106.2 48.7 -69.0 -35.8 48.3 46.7 14.9 35 39 A Q H <> S+ 0 0 52 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.910 110.0 50.7 -70.5 -44.6 44.8 47.5 16.2 36 40 A K H X S+ 0 0 55 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.847 108.1 54.7 -58.8 -36.7 44.4 50.4 13.7 37 41 A R H X S+ 0 0 116 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.912 107.3 49.1 -63.3 -45.4 45.4 48.0 10.9 38 42 A L H X S+ 0 0 13 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.867 108.4 53.5 -61.4 -40.1 42.7 45.6 11.9 39 43 A I H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.892 111.5 46.0 -62.9 -40.7 40.1 48.3 12.0 40 44 A R H X S+ 0 0 85 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.908 110.4 53.3 -65.9 -44.4 41.1 49.3 8.4 41 45 A A H X S+ 0 0 27 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.873 110.7 46.9 -59.9 -41.3 41.1 45.7 7.3 42 46 A I H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.932 112.4 49.2 -64.5 -48.4 37.5 45.2 8.6 43 47 A V H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.884 111.1 50.7 -59.7 -40.3 36.3 48.5 6.9 44 48 A K H X S+ 0 0 58 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.909 111.5 47.6 -62.9 -44.3 38.0 47.3 3.6 45 49 A T H X S+ 0 0 23 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.899 111.5 50.6 -61.8 -43.2 36.2 44.0 3.9 46 50 A L H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 7,-0.2 0.850 108.8 52.6 -64.2 -36.6 32.9 45.7 4.6 47 51 A I H < S+ 0 0 2 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.889 114.8 40.8 -63.4 -41.2 33.4 48.0 1.6 48 52 A H H < S+ 0 0 81 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.709 126.0 34.1 -84.1 -22.5 34.0 45.0 -0.7 49 53 A N >< + 0 0 40 -4,-1.9 3,-2.2 -5,-0.1 -1,-0.2 -0.623 67.8 173.7-130.4 73.2 31.2 42.8 0.7 50 54 A P G > S+ 0 0 31 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.550 70.7 72.6 -65.0 -8.6 28.4 45.2 1.8 51 55 A Q G 3> S+ 0 0 76 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.647 82.8 72.0 -75.8 -15.7 26.0 42.4 2.7 52 56 A L G <4 S+ 0 0 0 -3,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.702 87.3 64.7 -67.7 -20.6 28.2 41.8 5.8 53 57 A L T X4 S+ 0 0 4 -3,-0.8 3,-0.7 -4,-0.2 4,-0.4 0.859 101.0 48.4 -66.1 -37.9 26.7 45.0 7.1 54 58 A D T 34 S+ 0 0 123 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.2 0.657 113.7 47.8 -75.4 -18.0 23.3 43.3 7.2 55 59 A E T 3X S+ 0 0 25 -4,-0.6 4,-1.7 1,-0.1 -1,-0.2 0.346 88.5 90.7 -98.4 1.9 24.9 40.4 9.0 56 60 A S H <> S+ 0 0 6 -3,-0.7 4,-2.5 1,-0.2 5,-0.3 0.883 77.6 57.9 -72.2 -42.8 26.7 42.6 11.6 57 61 A S H > S+ 0 0 86 -4,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.881 110.7 46.5 -50.9 -42.2 24.1 42.7 14.3 58 62 A Y H > S+ 0 0 11 2,-0.2 4,-2.2 -4,-0.2 -1,-0.2 0.900 110.1 52.7 -66.6 -44.3 24.3 38.9 14.3 59 63 A L H X S+ 0 0 4 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.902 112.5 42.8 -61.8 -45.7 28.1 38.8 14.4 60 64 A Y H X S+ 0 0 36 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.705 114.2 51.3 -78.2 -21.1 28.4 41.2 17.4 61 65 A R H X S+ 0 0 115 -4,-1.1 4,-1.7 -5,-0.3 -2,-0.2 0.786 109.6 51.6 -78.1 -32.6 25.6 39.4 19.2 62 66 A L H X S+ 0 0 9 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.938 112.3 45.2 -62.8 -49.5 27.4 36.1 18.6 63 67 A L H X S+ 0 0 4 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.871 111.3 52.4 -64.5 -40.8 30.6 37.5 20.0 64 68 A A H X S+ 0 0 57 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.884 113.8 43.9 -61.3 -41.3 28.8 39.0 23.0 65 69 A S H X S+ 0 0 11 -4,-1.7 4,-2.3 1,-0.2 3,-0.4 0.899 108.8 56.6 -70.0 -43.8 27.2 35.6 23.8 66 70 A K H < S+ 0 0 28 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.757 103.5 55.9 -59.9 -27.0 30.5 33.7 23.2 67 71 A A H < S+ 0 0 88 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.846 108.7 46.4 -71.7 -37.3 32.1 36.0 25.9 68 72 A I H < S- 0 0 132 -4,-1.0 2,-0.3 -3,-0.4 -2,-0.2 0.878 132.1 -4.0 -70.0 -39.8 29.4 34.9 28.4 69 73 A S < - 0 0 22 -4,-2.3 -1,-0.3 1,-0.1 12,-0.1 -0.996 49.1-135.0-156.3 149.4 29.8 31.2 27.4 70 74 A Q S S+ 0 0 77 -2,-0.3 2,-0.9 1,-0.1 -1,-0.1 0.773 96.9 74.6 -65.8 -29.6 31.6 28.8 25.1 71 75 A F E +B 80 0B 52 9,-0.5 9,-2.7 -6,-0.1 2,-0.3 -0.761 64.7 153.8 -98.4 97.8 28.2 27.1 24.6 72 76 A V E -B 79 0B 2 -2,-0.9 3,-0.0 7,-0.2 -10,-0.0 -0.926 42.1-124.0-126.6 147.2 26.0 29.2 22.4 73 77 A C > - 0 0 0 5,-1.1 4,-2.9 -2,-0.3 5,-0.2 -0.793 12.9-148.8 -90.7 126.5 23.1 28.4 20.0 74 78 A P T 4 S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 49,-0.0 0.843 95.2 50.0 -64.2 -33.2 23.6 29.6 16.4 75 79 A L T 4 S+ 0 0 12 1,-0.1 23,-0.0 24,-0.1 22,-0.0 0.885 129.6 16.1 -76.0 -41.3 19.9 30.1 15.8 76 80 A C T 4 S- 0 0 31 2,-0.1 -1,-0.1 20,-0.0 -4,-0.0 0.602 88.8-137.0-108.2 -12.0 19.1 32.2 18.9 77 81 A L < + 0 0 1 -4,-2.9 -12,-0.1 1,-0.2 -5,-0.0 0.802 51.7 146.2 62.3 30.0 22.6 33.3 20.1 78 82 A M - 0 0 85 -5,-0.2 -5,-1.1 -13,-0.0 -1,-0.2 -0.875 45.9-126.0-102.8 130.6 21.8 32.5 23.7 79 83 A P E -B 72 0B 38 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.416 22.5-159.5 -74.4 147.5 24.6 31.2 26.1 80 84 A F E -B 71 0B 52 -9,-2.7 -9,-0.5 -2,-0.1 -10,-0.1 -0.913 26.6-119.4-128.2 156.7 24.1 28.0 28.1 81 85 A S S S- 0 0 107 -2,-0.3 2,-0.3 -11,-0.1 -11,-0.1 0.827 90.5 -4.1 -63.6 -36.0 25.9 26.7 31.2 82 86 A S S > S- 0 0 43 -11,-0.1 4,-1.4 -13,-0.1 5,-0.1 -0.884 72.8-100.3-148.0 174.0 27.2 23.5 29.5 83 87 A S H > S+ 0 0 49 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.824 120.2 57.6 -68.4 -33.3 27.1 21.5 26.3 84 88 A V H > S+ 0 0 103 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.901 110.1 41.7 -64.3 -44.3 24.5 19.2 27.8 85 89 A S H > S+ 0 0 28 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.780 111.5 58.3 -73.7 -29.0 22.1 22.1 28.5 86 90 A L H X S+ 0 0 15 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.908 110.2 40.7 -65.3 -45.5 22.9 23.6 25.1 87 91 A K H X S+ 0 0 101 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.609 107.9 61.0 -85.2 -12.5 21.8 20.5 23.2 88 92 A Q H X S+ 0 0 126 -4,-0.9 4,-2.2 2,-0.2 5,-0.5 0.860 109.4 45.5 -67.4 -39.4 18.8 20.0 25.5 89 93 A H H X>S+ 0 0 23 -4,-1.4 5,-2.1 3,-0.2 4,-2.1 0.913 115.0 45.4 -67.1 -46.5 17.8 23.4 24.1 90 94 A I H <5S+ 0 0 24 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.905 117.5 44.4 -65.3 -42.7 18.5 22.6 20.5 91 95 A R H <5S+ 0 0 191 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.905 134.7 10.6 -68.2 -43.6 16.8 19.2 20.7 92 96 A Y H <5S+ 0 0 144 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.697 132.3 34.5-111.8 -24.9 13.6 20.3 22.6 93 97 A T T <5S+ 0 0 83 -4,-2.1 2,-0.7 -5,-0.5 -3,-0.2 0.667 86.1 90.2-115.2 -22.1 13.4 24.1 22.7 94 98 A E < + 0 0 18 -5,-2.1 15,-0.1 1,-0.1 -1,-0.1 -0.726 38.4 157.7 -88.3 111.9 14.8 25.7 19.5 95 99 A H + 0 0 127 -2,-0.7 2,-0.2 13,-0.1 -1,-0.1 0.290 21.9 129.4-118.0 7.4 12.0 26.1 17.0 96 100 A T - 0 0 47 1,-0.1 16,-0.2 13,-0.1 -21,-0.0 -0.451 32.0-174.3 -70.7 135.3 13.2 28.8 14.6 97 101 A K + 0 0 68 -2,-0.2 9,-0.6 15,-0.1 2,-0.4 0.511 61.9 84.5-101.1 -11.3 13.1 28.0 10.8 98 102 A V B S-C 105 0C 48 7,-0.2 7,-0.2 -23,-0.0 -2,-0.0 -0.778 81.6-121.6 -98.3 138.0 14.8 31.2 9.7 99 103 A C > - 0 0 0 5,-1.8 4,-2.2 -2,-0.4 5,-0.1 -0.671 16.0-142.0 -76.0 122.8 18.6 31.6 9.5 100 104 A P T 4 S+ 0 0 29 0, 0.0 -1,-0.1 0, 0.0 -42,-0.1 0.646 97.1 43.8 -61.4 -14.9 19.5 34.5 11.8 101 105 A V T 4 S+ 0 0 10 3,-0.1 -43,-0.1 -43,-0.1 -44,-0.1 0.919 129.1 14.0 -94.4 -60.3 22.2 35.5 9.2 102 106 A C T 4 S- 0 0 54 2,-0.1 -47,-0.0 -47,-0.0 -48,-0.0 0.571 89.1-127.9-101.9 -14.3 20.7 35.2 5.7 103 107 A K < + 0 0 151 -4,-2.2 2,-0.3 1,-0.2 -5,-0.0 0.698 52.9 151.5 75.0 22.7 17.0 35.0 6.4 104 108 A K - 0 0 95 -5,-0.1 -5,-1.8 8,-0.1 -1,-0.2 -0.618 37.2-131.5 -84.6 145.1 16.4 31.8 4.3 105 109 A E B -C 98 0C 145 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.655 22.6-172.2-108.6 157.3 13.6 29.6 5.5 106 110 A F - 0 0 42 -9,-0.6 3,-0.1 -2,-0.2 -9,-0.0 -0.873 35.6-119.2-142.3 167.0 13.3 25.8 6.1 107 111 A T S S+ 0 0 136 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.940 100.0 20.2 -70.3 -52.7 11.1 22.8 6.8 108 112 A S S > S- 0 0 41 -11,-0.1 4,-1.2 1,-0.1 3,-0.2 -0.790 73.0-123.9-118.4 159.2 12.8 21.9 10.1 109 113 A T H > S+ 0 0 16 -2,-0.3 4,-1.7 1,-0.2 -13,-0.1 0.706 114.4 62.5 -74.1 -21.0 15.0 23.8 12.5 110 114 A D H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.827 102.1 49.5 -68.6 -34.7 17.6 21.0 12.0 111 115 A S H > S+ 0 0 44 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.831 109.4 52.4 -69.4 -34.8 17.7 22.1 8.3 112 116 A A H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.855 109.8 50.0 -64.6 -37.8 18.2 25.6 9.6 113 117 A L H X S+ 0 0 25 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.954 109.4 48.2 -64.4 -53.8 21.1 24.3 11.7 114 118 A D H X S+ 0 0 91 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.863 112.1 52.4 -55.9 -38.7 22.8 22.5 8.9 115 119 A H H X>S+ 0 0 6 -4,-1.7 4,-2.9 2,-0.2 5,-0.5 0.930 106.2 50.5 -63.9 -48.0 22.5 25.6 6.7 116 120 A V H <5S+ 0 0 0 -4,-2.0 6,-2.3 1,-0.2 4,-0.3 0.760 118.1 41.7 -64.9 -24.4 24.0 28.0 9.3 117 121 A a H X5S+ 0 0 40 -4,-1.5 4,-0.7 4,-0.3 -2,-0.2 0.871 118.9 42.6 -84.4 -44.9 27.0 25.5 9.6 118 122 A K H <5S+ 0 0 112 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.888 130.0 22.4 -71.9 -42.1 27.3 24.7 5.8 119 123 A K T <5S+ 0 0 106 -4,-2.9 -3,-0.2 -5,-0.2 -1,-0.2 0.442 136.8 30.4-111.0 -2.8 26.9 28.2 4.4 120 124 A H T 4 - 0 0 60 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.306 33.7-107.9 -74.4 161.6 42.5 53.2 -1.1 135 26 B L H > S+ 0 0 89 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.836 121.4 49.1 -59.5 -37.3 41.2 55.8 -3.6 136 27 B E H > S+ 0 0 87 2,-0.2 4,-2.5 1,-0.2 3,-0.4 0.974 112.6 47.0 -62.0 -55.5 39.0 53.1 -5.3 137 28 B E H > S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.765 109.4 56.7 -58.7 -28.4 37.6 51.9 -2.0 138 29 B L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.891 111.4 39.7 -71.9 -43.1 37.0 55.5 -1.0 139 30 B K H < S+ 0 0 124 -4,-1.7 4,-0.3 -3,-0.4 -2,-0.2 0.799 116.0 53.3 -75.0 -30.3 34.8 56.3 -4.1 140 31 B R H >< S+ 0 0 75 -4,-2.5 3,-0.8 -5,-0.2 4,-0.3 0.892 107.5 52.7 -62.3 -43.6 33.3 52.8 -3.6 141 32 B Y H >< S+ 0 0 10 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.925 106.2 50.7 -58.0 -50.1 32.5 53.8 0.0 142 33 B H T 3< S+ 0 0 46 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.499 100.7 64.6 -73.9 -4.0 30.7 57.0 -0.9 143 34 B Q T < S+ 0 0 146 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.487 84.9 97.5 -90.9 -7.6 28.5 55.0 -3.4 144 35 B L S < S- 0 0 20 -3,-1.8 -97,-0.0 -4,-0.3 -3,-0.0 -0.385 87.9 -97.6 -71.0 158.7 27.0 53.1 -0.4 145 36 B T > - 0 0 58 1,-0.1 4,-2.7 -2,-0.1 3,-0.3 -0.430 31.6-110.7 -72.6 151.3 23.7 54.2 1.0 146 37 B P H > S+ 0 0 81 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.865 121.4 56.6 -46.4 -38.4 23.7 56.4 4.1 147 38 B E H > S+ 0 0 110 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.900 109.5 42.4 -64.1 -45.5 22.3 53.3 6.0 148 39 B Q H > S+ 0 0 45 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.873 115.4 53.0 -64.0 -38.2 25.3 51.2 4.9 149 40 B K H X S+ 0 0 43 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.879 109.5 44.7 -69.1 -41.9 27.6 54.1 5.7 150 41 B R H X S+ 0 0 136 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.802 110.6 56.5 -72.9 -29.4 26.4 54.7 9.2 151 42 B L H X S+ 0 0 50 -4,-1.5 4,-1.6 -5,-0.3 -2,-0.2 0.895 106.9 50.6 -62.0 -42.2 26.5 51.0 9.9 152 43 B I H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.944 114.1 41.0 -61.5 -51.8 30.2 51.0 8.9 153 44 B R H X S+ 0 0 94 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.718 111.8 57.1 -74.6 -20.4 31.1 53.9 11.2 154 45 B A H X S+ 0 0 41 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.832 107.1 50.3 -70.0 -34.9 28.9 52.4 14.0 155 46 B I H X S+ 0 0 8 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.880 109.6 48.4 -69.9 -40.3 31.0 49.2 13.7 156 47 B V H X S+ 0 0 1 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.806 110.4 52.8 -71.3 -29.8 34.3 51.0 13.9 157 48 B K H X S+ 0 0 61 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.886 106.5 51.9 -70.1 -42.4 33.0 52.9 17.0 158 49 B T H X S+ 0 0 52 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.906 112.0 48.0 -54.3 -44.5 32.0 49.6 18.7 159 50 B L H < S+ 0 0 0 -4,-1.7 7,-0.2 2,-0.2 -2,-0.2 0.828 107.8 53.5 -69.4 -36.1 35.6 48.5 18.0 160 51 B I H < S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.912 115.6 40.7 -63.1 -43.2 37.2 51.7 19.4 161 52 B H H < S+ 0 0 68 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.794 128.5 32.4 -73.9 -31.1 35.2 51.2 22.6 162 53 B N >< + 0 0 59 -4,-2.0 3,-2.0 -5,-0.2 4,-0.3 -0.622 66.4 163.0-126.9 71.0 35.8 47.5 22.6 163 54 B P G > S+ 0 0 32 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.658 71.8 71.5 -68.6 -15.5 39.3 46.9 21.1 164 55 B Q G 3 S+ 0 0 142 1,-0.2 4,-0.3 2,-0.1 3,-0.3 0.726 91.8 61.2 -65.1 -23.0 39.4 43.4 22.6 165 56 B L G X> S+ 0 0 34 -3,-2.0 4,-2.2 -6,-0.2 3,-0.5 0.672 83.4 83.3 -73.6 -19.2 36.7 42.6 19.9 166 57 B L H <> S+ 0 0 2 -3,-0.9 4,-2.0 -4,-0.3 5,-0.2 0.864 84.2 52.4 -58.6 -47.0 39.1 43.5 17.0 167 58 B D H 3> S+ 0 0 61 -4,-0.4 4,-0.9 -3,-0.3 -1,-0.2 0.838 117.2 38.2 -57.8 -36.5 40.9 40.2 16.7 168 59 B E H <> S+ 0 0 47 -3,-0.5 4,-2.5 -4,-0.3 -2,-0.2 0.835 114.4 49.3 -91.5 -39.2 37.8 38.1 16.5 169 60 B S H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.861 108.7 56.3 -68.7 -36.1 35.5 40.3 14.4 170 61 B S H X S+ 0 0 9 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.923 110.3 46.6 -54.3 -46.5 38.3 40.7 11.9 171 62 B Y H X S+ 0 0 3 -4,-0.9 4,-2.2 -5,-0.2 -2,-0.2 0.950 114.7 43.7 -60.5 -55.0 38.3 36.9 11.7 172 63 B L H X S+ 0 0 13 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.880 111.7 53.0 -63.9 -41.8 34.5 36.4 11.3 173 64 B Y H X S+ 0 0 1 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.847 114.2 44.2 -61.0 -34.2 34.2 39.3 8.8 174 65 B R H X S+ 0 0 91 -4,-1.4 4,-2.4 -5,-0.2 -2,-0.2 0.791 111.7 53.1 -79.3 -31.6 36.9 37.5 6.7 175 66 B L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.965 112.6 43.2 -63.5 -54.3 35.3 34.1 7.2 176 67 B L H X S+ 0 0 16 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.806 112.7 55.1 -61.7 -32.5 32.0 35.3 5.9 177 68 B A H X S+ 0 0 15 -4,-1.1 4,-0.8 -5,-0.3 3,-0.5 0.950 112.8 40.6 -63.2 -52.2 33.8 37.1 3.1 178 69 B S H >X S+ 0 0 15 -4,-2.4 4,-2.4 1,-0.2 3,-0.5 0.830 109.1 61.4 -63.3 -35.2 35.5 33.9 2.0 179 70 B K H 3< S+ 0 0 25 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.779 99.0 56.8 -65.1 -28.3 32.3 32.0 2.6 180 71 B A H 3< S+ 0 0 63 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.799 108.5 46.7 -70.2 -31.8 30.7 34.2 -0.1 181 72 B I H << S- 0 0 129 -4,-0.8 2,-0.3 -3,-0.5 -2,-0.2 0.933 133.3 -11.0 -75.0 -50.2 33.3 33.2 -2.6 182 73 B S < - 0 0 22 -4,-2.4 -1,-0.3 1,-0.1 12,-0.1 -0.990 52.0-129.8-147.2 155.1 33.1 29.4 -1.8 183 74 B Q S S+ 0 0 82 -2,-0.3 2,-1.1 1,-0.1 -1,-0.1 0.808 95.4 79.4 -64.9 -31.6 31.5 27.1 0.8 184 75 B F E +D 193 0D 55 9,-0.5 9,-2.8 -6,-0.1 2,-0.3 -0.669 63.4 158.0 -92.7 93.8 34.9 25.4 1.2 185 76 B V E -D 192 0D 2 -2,-1.1 -10,-0.0 7,-0.2 -6,-0.0 -0.894 42.0-121.3-121.7 145.0 37.0 27.6 3.5 186 77 B C > - 0 0 0 5,-1.4 4,-2.6 -2,-0.3 5,-0.1 -0.747 15.2-149.4 -87.6 121.8 40.0 26.9 5.7 187 78 B P T 4 S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 0.742 93.9 44.4 -62.8 -25.2 39.4 27.8 9.4 188 79 B L T 4 S+ 0 0 8 24,-0.1 22,-0.0 3,-0.1 23,-0.0 0.905 131.1 17.5 -87.0 -46.8 43.0 28.7 10.0 189 80 B C T 4 S- 0 0 31 2,-0.1 -1,-0.1 20,-0.0 18,-0.0 0.612 91.7-136.4-103.6 -18.7 44.0 30.8 7.0 190 81 B L < + 0 0 2 -4,-2.6 -12,-0.1 1,-0.2 -5,-0.0 0.819 48.9 148.1 68.5 36.3 40.4 31.6 5.8 191 82 B M - 0 0 111 -5,-0.1 -5,-1.4 -12,-0.0 -1,-0.2 -0.869 44.7-123.9-103.8 135.8 41.1 31.0 2.1 192 83 B P E -D 185 0D 33 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.503 23.8-161.0 -76.6 144.9 38.3 29.7 -0.2 193 84 B F E -D 184 0D 45 -9,-2.8 -9,-0.5 -2,-0.2 -10,-0.1 -0.886 25.4-124.1-124.7 156.9 38.8 26.5 -2.3 194 85 B S S S+ 0 0 108 -2,-0.3 2,-0.3 -11,-0.1 -11,-0.1 0.848 89.7 6.0 -65.8 -37.4 37.0 25.1 -5.3 195 86 B S S > S- 0 0 44 -11,-0.1 4,-1.5 -13,-0.1 5,-0.1 -0.853 71.7-109.4-142.1 168.1 36.0 21.8 -3.8 196 87 B S H > S+ 0 0 63 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.766 118.6 60.8 -71.9 -27.3 36.1 19.9 -0.5 197 88 B V H > S+ 0 0 107 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.892 107.2 42.8 -64.0 -42.7 38.7 17.7 -2.1 198 89 B S H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.826 112.1 53.3 -74.8 -34.3 41.1 20.7 -2.6 199 90 B L H X S+ 0 0 7 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.869 110.4 49.2 -62.8 -38.5 40.3 22.0 0.9 200 91 B K H X S+ 0 0 135 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.867 110.4 49.8 -67.1 -39.5 41.3 18.6 2.2 201 92 B Q H X S+ 0 0 101 -4,-1.5 4,-1.9 2,-0.2 5,-0.4 0.828 111.1 49.1 -71.3 -34.6 44.5 18.6 0.2 202 93 B H H X>S+ 0 0 22 -4,-2.0 4,-2.1 2,-0.2 5,-1.2 0.899 113.3 46.3 -69.0 -43.0 45.4 22.1 1.5 203 94 B I H <5S+ 0 0 33 -4,-2.1 4,-0.2 3,-0.2 -2,-0.2 0.872 112.9 52.4 -65.7 -36.4 44.7 21.0 5.1 204 95 B R H <5S- 0 0 151 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.906 134.2 -0.6 -66.6 -45.0 46.7 17.8 4.5 205 96 B Y H <5S+ 0 0 160 -4,-1.9 -3,-0.2 -5,-0.1 -2,-0.2 0.608 130.0 46.9-122.7 -16.8 49.9 19.3 3.1 206 97 B T T <5S+ 0 0 79 -4,-2.1 2,-0.7 -5,-0.4 -3,-0.2 0.501 84.7 85.2-117.1 -5.5 49.7 23.1 3.0 207 98 B E < + 0 0 13 -5,-1.2 15,-0.1 -4,-0.2 -1,-0.1 -0.880 36.1 153.8-104.1 111.6 48.3 24.4 6.3 208 99 B H + 0 0 130 -2,-0.7 2,-0.2 14,-0.1 -1,-0.1 0.173 19.7 139.6-119.6 14.0 51.0 24.9 9.0 209 100 B T - 0 0 51 1,-0.1 16,-0.2 13,-0.1 -20,-0.0 -0.461 25.7-178.1 -63.6 126.8 49.4 27.5 11.2 210 101 B K + 0 0 83 -2,-0.2 9,-2.1 15,-0.1 2,-0.4 0.265 61.7 73.7-107.5 6.3 50.1 26.6 14.8 211 102 B V B S-E 218 0E 50 7,-0.2 7,-0.2 -23,-0.0 6,-0.1 -0.983 83.8-121.1-129.3 130.3 48.2 29.5 16.3 212 103 B C > - 0 0 0 5,-1.9 4,-2.7 -2,-0.4 5,-0.1 -0.586 20.4-144.7 -73.1 123.9 44.4 29.9 16.4 213 104 B P T 4 S+ 0 0 26 0, 0.0 -1,-0.2 0, 0.0 -42,-0.1 0.757 93.8 45.7 -66.5 -25.3 43.6 33.1 14.5 214 105 B V T 4 S+ 0 0 10 3,-0.1 -43,-0.1 -43,-0.1 -44,-0.1 0.954 131.8 13.6 -79.0 -56.6 40.7 34.1 16.8 215 106 B C T 4 S- 0 0 57 2,-0.1 -1,-0.1 -47,-0.1 -47,-0.1 0.618 88.9-133.0-102.1 -16.9 42.1 33.5 20.3 216 107 B K < + 0 0 112 -4,-2.7 2,-0.2 1,-0.3 0, 0.0 0.568 45.5 158.9 77.0 10.6 45.9 33.2 19.5 217 108 B K - 0 0 115 -5,-0.1 -5,-1.9 -6,-0.1 -1,-0.3 -0.478 36.2-130.8 -65.3 133.8 46.3 30.0 21.6 218 109 B E B -E 211 0E 148 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.619 25.1-167.5 -97.0 153.3 49.4 28.2 20.5 219 110 B F - 0 0 37 -9,-2.1 3,-0.1 -2,-0.2 -9,-0.0 -0.830 34.9-130.5-134.8 165.1 49.7 24.5 19.7 220 111 B T S S+ 0 0 132 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.667 96.9 30.6 -84.7 -22.3 52.1 21.7 19.0 221 112 B S > - 0 0 33 -11,-0.1 4,-1.5 1,-0.1 -1,-0.2 -0.981 66.6-135.0-142.4 147.6 50.1 20.7 15.9 222 113 B T H > S+ 0 0 14 -2,-0.3 4,-2.5 2,-0.2 5,-0.1 0.794 110.8 57.5 -69.4 -29.9 48.0 22.3 13.2 223 114 B D H > S+ 0 0 110 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.872 105.9 49.2 -66.6 -39.6 45.5 19.4 13.6 224 115 B S H > S+ 0 0 50 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.857 110.6 50.8 -64.4 -38.5 45.1 20.4 17.3 225 116 B A H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.905 110.3 49.3 -64.5 -44.1 44.7 24.0 16.1 226 117 B L H X S+ 0 0 31 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.902 111.7 49.0 -57.2 -44.8 42.0 22.8 13.7 227 118 B D H X S+ 0 0 83 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.902 111.6 49.2 -64.7 -43.5 40.3 20.9 16.5 228 119 B H H X>S+ 0 0 17 -4,-2.3 4,-3.0 2,-0.2 5,-0.7 0.891 107.9 52.6 -60.7 -47.2 40.4 23.9 18.9 229 120 B V H X5S+ 0 0 0 -4,-2.3 6,-1.9 3,-0.2 4,-0.7 0.852 115.4 42.5 -61.6 -36.9 38.9 26.3 16.3 230 121 B b H X5S+ 0 0 42 -4,-1.6 4,-1.4 4,-0.2 -2,-0.2 0.955 120.8 40.0 -69.7 -54.6 36.0 23.9 15.7 231 122 B K H <5S+ 0 0 121 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.917 128.8 26.6 -63.8 -50.1 35.4 23.0 19.4 232 123 B K H <5S+ 0 0 80 -4,-3.0 -3,-0.2 -5,-0.2 -1,-0.2 0.769 133.7 30.1 -89.1 -29.2 35.9 26.4 21.1 233 124 B H H <