==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 17-MAR-10 3M8E . COMPND 2 MOLECULE: PUTATIVE DNA-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THURINGIENSIS; . AUTHOR L.NI,M.A.SCHUMACHER . 194 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 75.8 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 . 27 13.9 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 18 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 0 0 2 0 1 3 1 1 0 2 0 0 0 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 . 4 0 0 1 0 2 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 . 1 2 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 -15 A H 0 0 78 0, 0.0 3,-0.2 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0 172.3 30.4 2.1 0.2 2 -14 A H + 0 0 197 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.159 360.0 75.6-108.8 18.0 28.7 -0.4 -2.1 3 -13 A H 0 0 45 116,-0.1 -1,-0.2 1,-0.1 118,-0.1 -0.108 360.0 360.0-124.6 37.7 25.0 0.5 -1.7 4 -12 A H 0 0 150 -3,-0.2 -1,-0.1 116,-0.1 116,-0.1 0.853 360.0 360.0 -60.9 360.0 24.5 3.8 -3.7 5 ! 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 6 6 A F 0 0 154 0, 0.0 2,-0.3 0, 0.0 104,-0.2 0.000 360.0 360.0 360.0 -38.0 4.4 10.7 -2.5 7 7 A Y E -A 109 0A 55 102,-1.6 102,-3.7 100,-0.0 2,-0.9 -0.982 360.0-133.1-142.6 135.5 3.8 10.7 1.3 8 8 A T E -A 108 0A 94 -2,-0.3 2,-0.4 100,-0.2 100,-0.2 -0.787 30.5-161.0 -90.1 106.1 1.6 13.0 3.3 9 9 A L E -A 107 0A 9 98,-3.1 98,-2.5 -2,-0.9 2,-1.1 -0.717 17.2-138.3 -94.5 130.3 3.7 14.1 6.3 10 10 A N E > +A 106 0A 37 -2,-0.4 4,-1.4 96,-0.2 3,-0.2 -0.763 23.0 178.7 -85.2 98.0 2.3 15.5 9.5 11 11 A I H > S+ 0 0 0 -2,-1.1 4,-2.5 94,-0.5 -1,-0.2 0.703 75.7 65.8 -75.6 -21.1 4.8 18.4 10.2 12 12 A A H > S+ 0 0 51 93,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.920 105.1 44.9 -62.1 -43.3 2.9 19.4 13.3 13 13 A E H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.853 111.2 53.2 -69.5 -36.5 3.8 16.1 14.9 14 14 A I H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.911 108.1 50.9 -59.9 -44.8 7.4 16.5 13.6 15 15 A A H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.907 108.3 52.8 -60.7 -41.4 7.6 19.9 15.3 16 16 A E H X S+ 0 0 106 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.907 112.2 44.0 -58.5 -45.9 6.3 18.3 18.6 17 17 A R H < S+ 0 0 44 -4,-1.9 3,-0.5 149,-0.2 4,-0.3 0.911 115.9 46.7 -68.4 -45.0 9.1 15.6 18.5 18 18 A I H >< S+ 0 0 0 -4,-2.7 3,-1.7 148,-0.3 7,-0.6 0.901 107.2 58.8 -59.9 -43.4 11.8 18.2 17.6 19 19 A G H 3< S+ 0 0 5 -4,-3.0 81,-0.3 1,-0.3 -1,-0.2 0.778 107.8 47.4 -56.3 -28.4 10.4 20.5 20.3 20 20 A N T 3< S+ 0 0 127 -4,-0.9 2,-0.6 -3,-0.5 -1,-0.3 0.401 99.0 76.9 -95.8 0.4 11.1 17.7 22.7 21 21 A D <> - 0 0 30 -3,-1.7 4,-2.4 -4,-0.3 5,-0.2 -0.947 66.4-158.2-113.1 112.4 14.7 17.0 21.5 22 22 A D H > S+ 0 0 68 -2,-0.6 4,-1.6 1,-0.2 -1,-0.1 0.878 91.8 41.8 -55.7 -45.7 17.2 19.6 22.7 23 23 A C H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.940 113.9 50.2 -69.6 -49.9 19.7 18.9 19.9 24 24 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.892 111.1 50.3 -55.0 -44.1 17.2 18.6 17.0 25 25 A Y H X S+ 0 0 46 -4,-2.4 4,-2.3 -7,-0.6 -1,-0.2 0.919 113.3 44.9 -63.1 -45.3 15.5 21.9 18.0 26 26 A Q H X S+ 0 0 65 -4,-1.6 4,-1.3 -5,-0.2 -2,-0.2 0.849 111.5 52.4 -69.8 -36.2 18.8 23.8 18.2 27 27 A V H X S+ 0 0 0 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.947 113.2 44.7 -64.9 -47.4 20.1 22.3 14.9 28 28 A L H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.940 116.2 44.9 -59.2 -50.5 16.9 23.4 13.0 29 29 A M H >< S+ 0 0 43 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.678 94.8 78.2 -73.7 -16.4 16.8 26.9 14.5 30 30 A A H 3< S+ 0 0 7 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.826 89.0 58.9 -56.6 -31.4 20.5 27.4 14.0 31 31 A F T << S+ 0 0 0 -3,-1.1 8,-3.0 -4,-0.6 2,-0.5 0.457 92.0 81.4 -80.1 -2.8 19.6 28.1 10.3 32 32 A I B < S-B 38 0B 44 -3,-1.8 6,-0.2 6,-0.2 5,-0.0 -0.923 71.9-150.9-105.6 124.1 17.3 31.0 11.4 33 33 A N > - 0 0 46 4,-2.7 3,-1.6 -2,-0.5 -2,-0.1 -0.153 34.7 -90.9 -85.3-176.5 19.0 34.3 12.0 34 34 A E T 3 S+ 0 0 189 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.720 127.6 56.5 -68.6 -23.2 18.1 37.2 14.4 35 35 A N T 3 S- 0 0 128 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.424 119.9-111.6 -85.1 -3.1 16.1 38.8 11.6 36 36 A G S < S+ 0 0 47 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.525 74.8 133.0 85.0 7.5 14.1 35.6 11.2 37 37 A E - 0 0 129 1,-0.1 -4,-2.7 -5,-0.0 2,-0.5 -0.602 63.7-105.0 -93.8 152.6 15.6 34.8 7.8 38 38 A A B -B 32 0B 58 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.651 42.5-167.9 -79.0 119.1 17.0 31.4 6.6 39 39 A Q - 0 0 63 -8,-3.0 44,-0.4 -2,-0.5 2,-0.3 -0.723 21.2-113.9-109.8 155.9 20.8 31.5 6.5 40 40 A M + 0 0 134 -2,-0.3 2,-0.3 42,-0.1 42,-0.2 -0.687 40.9 167.6 -88.6 138.2 23.5 29.2 5.0 41 41 A L B -C 81 0C 22 40,-2.5 40,-3.7 -2,-0.3 2,-0.2 -0.993 29.9-134.1-146.1 151.7 25.8 27.3 7.4 42 42 A N > - 0 0 73 -2,-0.3 4,-2.1 38,-0.2 3,-0.2 -0.614 41.3-101.6 -93.6 168.0 28.4 24.5 7.4 43 43 A K H > S+ 0 0 40 36,-0.4 4,-3.0 1,-0.2 5,-0.2 0.865 122.7 57.0 -55.9 -40.4 28.4 21.9 10.2 44 44 A T H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.914 107.4 48.7 -58.5 -44.4 31.3 23.6 12.0 45 45 A A H > S+ 0 0 18 2,-0.2 4,-0.9 1,-0.2 3,-0.2 0.938 112.0 48.3 -58.2 -50.9 29.1 26.8 12.2 46 46 A V H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 4,-0.2 0.940 112.4 48.6 -54.9 -51.3 26.1 24.8 13.5 47 47 A A H >< S+ 0 0 13 -4,-3.0 3,-0.9 1,-0.2 5,-0.3 0.776 103.6 62.6 -59.7 -31.2 28.3 23.1 16.1 48 48 A E H 3< S+ 0 0 165 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.745 105.3 45.1 -69.4 -26.9 29.8 26.4 17.2 49 49 A M T << S+ 0 0 92 -3,-1.1 2,-0.4 -4,-0.9 -1,-0.2 0.308 105.0 73.0-100.5 10.0 26.4 27.8 18.4 50 50 A I S < S- 0 0 3 -3,-0.9 2,-1.8 -4,-0.2 7,-0.1 -0.987 72.9-140.2-128.8 127.5 25.3 24.6 20.2 51 51 A Q S S+ 0 0 185 -2,-0.4 2,-0.3 -3,-0.0 -3,-0.1 -0.399 71.2 94.6 -86.2 60.9 26.8 23.4 23.5 52 52 A L S S- 0 0 77 -2,-1.8 -2,-0.1 -5,-0.3 5,-0.1 -0.933 85.6 -71.7-139.9 163.5 26.9 19.7 22.6 53 53 A S > - 0 0 56 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.108 38.5-122.9 -55.4 150.4 29.6 17.4 21.2 54 54 A K H > S+ 0 0 123 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.933 110.8 54.2 -61.9 -47.8 30.6 17.7 17.6 55 55 A P H > S+ 0 0 59 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.912 110.0 49.0 -52.0 -44.1 29.8 14.1 16.6 56 56 A T H > S+ 0 0 34 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.927 115.9 41.4 -60.9 -49.3 26.3 14.6 18.0 57 57 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.935 114.0 52.1 -66.3 -46.8 25.7 17.8 16.1 58 58 A F H X S+ 0 0 60 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.903 110.6 48.3 -55.9 -45.7 27.4 16.6 12.9 59 59 A A H X S+ 0 0 8 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.859 111.1 50.8 -63.6 -38.0 25.2 13.4 12.8 60 60 A T H X S+ 0 0 5 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.926 111.3 48.0 -66.6 -44.6 22.0 15.5 13.5 61 61 A V H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.955 112.8 48.2 -57.1 -51.1 22.9 17.9 10.6 62 62 A N H X S+ 0 0 23 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.860 111.9 50.4 -59.7 -36.5 23.6 14.9 8.3 63 63 A S H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.895 107.3 53.0 -65.5 -44.2 20.3 13.3 9.4 64 64 A F H <>S+ 0 0 2 -4,-2.5 5,-2.9 2,-0.2 6,-1.1 0.789 108.5 51.4 -63.1 -34.1 18.4 16.6 8.6 65 65 A Y H ><5S+ 0 0 46 -4,-1.8 3,-1.4 4,-0.2 -2,-0.2 0.945 110.3 47.7 -64.4 -52.8 19.9 16.6 5.1 66 66 A C H 3<5S+ 0 0 0 -4,-2.0 52,-0.3 1,-0.3 -2,-0.2 0.884 109.9 53.7 -54.9 -41.0 18.8 13.0 4.5 67 67 A A T 3<5S- 0 0 4 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.565 116.9-115.3 -72.1 -11.2 15.3 13.8 5.9 68 68 A G T < 5S+ 0 0 11 -3,-1.4 19,-0.4 -4,-0.3 18,-0.3 0.730 83.7 119.3 82.5 24.9 15.0 16.7 3.4 69 69 A Y S -D 78 0C 84 3,-2.8 3,-2.3 -2,-0.3 2,-0.2 -0.894 66.5 -50.9-137.4 109.5 32.2 23.8 -2.5 76 76 A G T 3 S- 0 0 67 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.493 121.5 -26.4 58.0-126.5 35.6 22.1 -2.9 77 77 A R T 3 S+ 0 0 245 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.391 125.3 92.1 -93.7 1.5 35.7 19.6 -0.1 78 78 A S E < - D 0 75C 73 -3,-2.3 -3,-2.8 -36,-0.0 2,-0.4 -0.562 63.5-144.4 -95.7 159.4 33.3 21.6 2.1 79 79 A K E - D 0 74C 83 -5,-0.2 2,-0.5 -2,-0.2 -36,-0.4 -0.993 5.6-158.8-125.1 129.7 29.5 21.4 2.3 80 80 A I E - D 0 73C 49 -7,-2.9 -7,-2.5 -2,-0.4 2,-0.3 -0.917 14.0-152.9-105.7 129.4 27.2 24.4 2.8 81 81 A Y E +CD 41 72C 1 -40,-3.7 -40,-2.5 -2,-0.5 2,-0.3 -0.824 15.6 175.4-107.5 144.4 23.7 23.7 4.2 82 82 A T E - D 0 71C 45 -11,-1.7 -11,-3.1 -2,-0.3 -42,-0.1 -0.995 37.3 -97.4-141.5 145.5 20.5 25.7 3.8 83 83 A L E - D 0 70C 19 -44,-0.4 -13,-0.3 -2,-0.3 2,-0.1 -0.300 37.3-142.4 -59.1 140.1 16.8 25.1 4.9 84 84 A S > - 0 0 12 -15,-2.2 4,-2.1 -16,-0.1 5,-0.1 -0.320 33.9 -93.3 -89.2-179.2 14.6 23.6 2.2 85 85 A D H > S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.917 131.4 49.3 -61.0 -42.8 10.9 24.5 1.7 86 86 A L H > S+ 0 0 6 -18,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.922 108.9 52.5 -60.0 -46.7 10.0 21.6 4.0 87 87 A G H > S+ 0 0 0 -19,-0.4 4,-2.0 -18,-0.3 -2,-0.2 0.868 109.1 49.7 -58.4 -40.3 12.6 22.8 6.6 88 88 A V H X S+ 0 0 53 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.894 109.3 50.8 -66.0 -41.9 11.0 26.3 6.6 89 89 A E H X S+ 0 0 59 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.864 109.3 51.2 -66.0 -36.3 7.4 25.0 7.0 90 90 A I H >< S+ 0 0 0 -4,-2.1 3,-1.0 2,-0.2 4,-0.3 0.940 109.7 50.6 -62.7 -46.5 8.6 22.9 10.0 91 91 A V H >< S+ 0 0 9 -4,-2.0 3,-2.0 1,-0.3 -2,-0.2 0.907 104.5 58.3 -55.1 -44.2 10.2 26.0 11.5 92 92 A E H >< S+ 0 0 98 -4,-2.4 3,-1.3 1,-0.3 -1,-0.3 0.730 92.0 69.2 -60.2 -24.2 6.8 27.9 10.9 93 93 A C T << S+ 0 0 32 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.630 87.7 67.3 -69.0 -13.1 5.1 25.2 13.2 94 94 A F T X S+ 0 0 23 -3,-2.0 3,-1.6 -4,-0.3 2,-0.3 0.459 70.1 119.8 -88.5 -2.6 7.0 26.7 16.1 95 95 A K T < S- 0 0 108 -3,-1.3 3,-0.1 1,-0.3 -3,-0.0 -0.502 93.8 -7.1 -62.1 122.3 5.1 30.0 15.9 96 96 A Q T 3 S+ 0 0 197 -2,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.790 102.2 139.8 56.7 31.6 3.2 30.5 19.2 97 97 A K < - 0 0 56 -3,-1.6 -1,-0.2 -78,-0.0 2,-0.1 -0.904 56.4-116.0-105.4 132.5 4.3 27.0 20.4 98 98 A A - 0 0 86 -2,-0.4 2,-0.4 -3,-0.1 -3,-0.0 -0.434 29.2-161.5 -66.5 134.6 5.3 26.5 24.0 99 99 A M - 0 0 56 -2,-0.1 2,-0.5 -79,-0.0 3,-0.2 -0.986 5.9-159.1-122.3 131.7 8.9 25.4 24.5 100 100 A E S S- 0 0 170 -2,-0.4 -2,-0.0 -81,-0.3 0, 0.0 -0.945 75.5 -21.5-116.6 115.3 10.3 23.8 27.6 101 101 A M 0 0 160 -2,-0.5 -1,-0.2 -79,-0.0 -79,-0.0 0.939 360.0 360.0 45.2 65.9 14.1 24.1 28.1 102 102 A R 0 0 54 -3,-0.2 -77,-0.2 -77,-0.1 -76,-0.2 0.672 360.0 360.0 -16.6 360.0 15.1 24.7 24.5 103 !* 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 0.0 104 4 B D 0 0 200 0, 0.0 2,-0.6 0, 0.0 -94,-0.0 0.000 360.0 360.0 360.0 98.0 -4.3 21.5 9.6 105 5 B H + 0 0 91 2,-0.0 -93,-0.8 -12,-0.0 -94,-0.5 -0.908 360.0 155.2-111.9 111.8 -0.7 21.5 8.3 106 6 B F E -A 10 0A 97 -2,-0.6 2,-0.4 -96,-0.2 -96,-0.2 -0.858 26.2-145.3-123.5 160.4 0.5 18.6 6.3 107 7 B Y E -A 9 0A 53 -98,-2.5 -98,-3.1 -2,-0.3 2,-0.8 -0.996 16.1-125.0-133.7 135.7 3.3 18.4 3.7 108 8 B T E -A 8 0A 104 -2,-0.4 2,-0.4 -100,-0.2 -100,-0.2 -0.676 32.9-159.6 -80.4 108.6 3.7 16.4 0.5 109 9 B L E -A 7 0A 10 -102,-3.7 -102,-1.6 -2,-0.8 2,-1.1 -0.777 16.1-140.0 -96.6 128.9 6.9 14.5 0.8 110 10 B N >> - 0 0 79 -2,-0.4 4,-1.4 -104,-0.2 3,-0.5 -0.769 18.2-172.6 -82.4 98.2 8.8 13.1 -2.2 111 11 B I H 3> S+ 0 0 0 -2,-1.1 4,-3.2 1,-0.2 5,-0.2 0.816 79.2 65.3 -64.6 -31.8 9.9 9.8 -0.7 112 12 B A H 3> S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 102.7 48.2 -56.1 -42.3 12.1 9.0 -3.8 113 13 B E H <> S+ 0 0 92 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.943 113.7 45.0 -64.2 -51.5 14.3 12.0 -2.9 114 14 B I H X S+ 0 0 3 -4,-1.4 4,-3.2 1,-0.2 5,-0.3 0.925 110.9 55.5 -56.2 -48.0 14.7 10.9 0.7 115 15 B A H X S+ 0 0 7 -4,-3.2 4,-3.0 1,-0.2 -1,-0.2 0.911 108.8 46.9 -52.4 -48.6 15.3 7.3 -0.4 116 16 B E H X S+ 0 0 130 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.913 113.5 48.0 -60.7 -45.7 18.2 8.5 -2.6 117 17 B R H X S+ 0 0 31 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.925 115.9 43.4 -62.6 -47.0 19.7 10.6 0.1 118 18 B I H >< S+ 0 0 0 -4,-3.2 3,-1.2 -52,-0.3 7,-0.7 0.950 113.5 52.5 -62.7 -49.5 19.4 7.9 2.8 119 19 B G H 3< S+ 0 0 3 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.861 109.3 49.1 -52.0 -41.5 20.7 5.2 0.3 120 20 B N H 3< S+ 0 0 65 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.2 0.565 97.9 77.6 -82.3 -8.6 23.8 7.3 -0.6 121 21 B D S+ 0 0 63 -2,-0.6 4,-1.8 1,-0.2 -1,-0.1 0.869 93.6 48.0 -56.4 -40.4 26.5 5.0 4.7 123 23 B C H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.958 114.0 43.0 -65.9 -53.2 25.4 6.1 8.2 124 24 B A H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.893 114.6 50.6 -62.3 -43.1 21.7 6.8 7.5 125 25 B Y H X S+ 0 0 58 -4,-2.5 4,-2.8 -7,-0.7 -1,-0.2 0.931 111.6 47.9 -58.4 -46.9 21.3 3.6 5.4 126 26 B Q H X S+ 0 0 57 -4,-1.8 4,-1.1 -5,-0.3 -2,-0.2 0.851 112.7 48.6 -65.4 -35.7 22.9 1.4 8.1 127 27 B V H X S+ 0 0 0 -4,-2.0 4,-0.5 2,-0.2 3,-0.2 0.944 115.1 43.1 -72.2 -47.6 20.7 3.0 10.8 128 28 B L H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.931 115.7 48.5 -60.8 -46.9 17.4 2.6 8.9 129 29 B M H >< S+ 0 0 51 -4,-2.8 3,-2.2 1,-0.3 -1,-0.2 0.682 90.9 79.4 -72.7 -17.4 18.3 -1.0 7.7 130 30 B A H 3< S+ 0 0 9 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.856 87.4 61.7 -51.6 -36.0 19.3 -2.1 11.2 131 31 B F T << S+ 0 0 0 -3,-1.2 8,-2.7 -4,-0.5 2,-0.6 0.424 90.5 77.1 -76.6 -0.5 15.5 -2.4 11.8 132 32 B I B < S-E 138 0D 43 -3,-2.2 6,-0.2 6,-0.2 -1,-0.0 -0.959 80.5-139.7-110.3 117.8 15.2 -5.1 9.1 133 33 B N > - 0 0 36 4,-3.0 3,-2.1 -2,-0.6 -2,-0.1 -0.148 32.0 -93.9 -69.7 169.4 16.5 -8.5 10.2 134 34 B E T 3 S+ 0 0 202 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.668 126.0 58.2 -55.9 -19.2 18.6 -10.9 8.1 135 35 B N T 3 S- 0 0 138 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.534 119.5-106.5 -90.1 -8.4 15.2 -12.5 7.1 136 36 B G S < S+ 0 0 56 -3,-2.1 2,-0.3 1,-0.4 -2,-0.1 0.468 79.2 127.5 95.7 3.9 13.7 -9.4 5.6 137 37 B E - 0 0 122 1,-0.1 -4,-3.0 -5,-0.0 -1,-0.4 -0.704 65.1-109.2 -94.7 144.6 11.3 -8.8 8.5 138 38 B A B -E 132 0D 68 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.451 41.0-170.7 -67.4 142.5 10.9 -5.6 10.5 139 39 B Q - 0 0 59 -8,-2.7 2,-0.4 -2,-0.1 44,-0.4 -0.927 22.3-117.0-137.5 157.6 12.3 -5.8 14.0 140 40 B M + 0 0 131 -2,-0.3 2,-0.3 42,-0.1 42,-0.2 -0.795 37.0 174.1 -96.6 137.6 12.3 -3.7 17.2 141 41 B L B -F 181 0E 17 40,-2.3 40,-2.5 -2,-0.4 2,-0.1 -0.998 26.0-135.3-143.0 146.7 15.6 -2.4 18.6 142 42 B N > - 0 0 59 -2,-0.3 4,-1.7 38,-0.2 5,-0.1 -0.450 41.7 -99.5 -86.1 174.2 16.9 -0.1 21.3 143 43 B K H > S+ 0 0 44 36,-0.4 4,-2.3 1,-0.2 5,-0.1 0.874 122.0 56.4 -61.6 -39.0 19.6 2.4 20.6 144 44 B T H > S+ 0 0 58 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.891 106.4 49.8 -59.9 -42.6 22.3 0.1 22.1 145 45 B A H > S+ 0 0 25 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.893 109.7 50.8 -65.7 -40.3 21.4 -2.7 19.7 146 46 B V H >< S+ 0 0 0 -4,-1.7 3,-0.9 1,-0.2 4,-0.4 0.920 109.4 51.7 -61.1 -44.7 21.6 -0.3 16.7 147 47 B A H >< S+ 0 0 14 -4,-2.3 3,-0.9 1,-0.2 5,-0.4 0.850 106.2 53.4 -62.4 -36.2 25.0 0.9 17.8 148 48 B E H 3< S+ 0 0 165 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.646 105.7 55.5 -72.9 -17.3 26.4 -2.7 18.1 149 49 B M T << S+ 0 0 96 -3,-0.9 2,-0.4 -4,-0.7 -1,-0.2 0.522 104.2 64.4 -87.3 -11.0 25.3 -3.4 14.5 150 50 B I S < S- 0 0 11 -3,-0.9 2,-1.7 -4,-0.4 7,-0.1 -0.963 72.7-138.8-130.0 132.2 27.2 -0.5 13.1 151 51 B Q S S+ 0 0 193 -2,-0.4 2,-0.3 -3,-0.0 -3,-0.1 -0.410 74.3 94.3 -84.6 59.2 31.0 0.3 12.9 152 52 B L S S- 0 0 72 -2,-1.7 -2,-0.1 -5,-0.4 5,-0.0 -0.894 86.6 -72.1-138.0 167.9 30.6 4.0 13.8 153 53 B S > - 0 0 57 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.187 38.2-121.0 -61.6 153.6 30.9 5.8 17.1 154 54 B K H > S+ 0 0 99 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.931 112.4 53.0 -60.4 -49.7 28.1 5.5 19.7 155 55 B P H > S+ 0 0 58 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.843 109.7 49.6 -55.1 -36.8 27.4 9.3 19.7 156 56 B T H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.1 -2,-0.2 0.955 114.4 43.1 -66.0 -50.9 27.0 9.3 15.9 157 57 B V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.905 114.2 50.5 -62.3 -44.6 24.6 6.3 15.9 158 58 B F H X S+ 0 0 51 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.894 110.6 48.6 -62.1 -43.9 22.5 7.6 18.9 159 59 B A H X S+ 0 0 4 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.844 111.0 52.4 -65.9 -33.7 22.1 11.0 17.4 160 60 B T H X S+ 0 0 4 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.943 109.3 47.3 -67.8 -48.1 21.0 9.4 14.1 161 61 B V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.929 112.0 52.3 -56.8 -47.5 18.4 7.2 15.8 162 62 B N H X S+ 0 0 44 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.888 111.1 45.3 -54.1 -45.4 17.2 10.4 17.6 163 63 B S H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.812 109.6 55.7 -71.4 -30.8 16.8 12.4 14.4 164 64 B F H <>S+ 0 0 2 -4,-2.1 5,-2.7 2,-0.2 6,-0.9 0.859 108.4 48.7 -66.5 -39.7 15.1 9.5 12.7 165 65 B Y H ><5S+ 0 0 63 -4,-2.2 3,-1.2 4,-0.2 -2,-0.2 0.924 110.8 49.7 -60.4 -49.1 12.5 9.5 15.5 166 66 B C H 3<5S+ 0 0 0 -4,-2.0 -148,-0.3 1,-0.3 -149,-0.2 0.885 109.7 52.1 -57.8 -41.1 12.1 13.2 15.1 167 67 B A T 3<5S- 0 0 2 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.517 116.3-114.9 -73.6 -9.3 11.6 12.8 11.3 168 68 B G T < 5S+ 0 0 9 -3,-1.2 19,-0.5 -4,-0.3 18,-0.4 0.696 82.8 121.2 79.8 20.6 8.9 10.1 11.9 169 69 B Y S S-G 178 0E 83 3,-2.1 3,-1.9 -2,-0.6 2,-0.5 -0.954 70.0 -54.1-119.5 107.1 9.1 -0.5 28.1 176 76 B G T 3 S- 0 0 77 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.508 121.7 -24.0 57.9-111.7 9.7 0.3 31.7 177 77 B R T 3 S+ 0 0 237 -2,-0.5 -1,-0.3 -3,-0.1 2,-0.1 0.619 120.5 92.7-101.6 -17.3 12.4 3.0 31.4 178 78 B S E < - G 0 175E 53 -3,-1.9 -3,-2.1 1,-0.0 2,-0.5 -0.351 68.9-130.9 -81.3 156.7 13.8 2.0 28.0 179 79 B K E - G 0 174E 69 -5,-0.2 2,-0.5 -2,-0.1 -36,-0.4 -0.947 19.8-164.0-106.1 121.0 12.8 3.3 24.5 180 80 B I E - G 0 173E 35 -7,-3.5 -7,-2.8 -2,-0.5 2,-0.4 -0.926 9.4-152.4-107.8 130.2 12.2 0.6 21.9 181 81 B Y E +FG 141 172E 4 -40,-2.5 -40,-2.3 -2,-0.5 2,-0.3 -0.808 16.0 175.3-110.5 140.2 12.1 1.7 18.3 182 82 B T E - G 0 171E 35 -11,-2.1 -11,-3.4 -2,-0.4 -42,-0.1 -0.964 42.3 -90.3-132.4 152.4 10.3 0.3 15.2 183 83 B L E - G 0 170E 17 -44,-0.4 -13,-0.3 -2,-0.3 2,-0.1 -0.406 44.6-138.7 -56.7 132.0 10.0 1.4 11.6 184 84 B S > - 0 0 7 -15,-2.2 4,-3.0 -2,-0.1 5,-0.2 -0.321 31.3 -94.6 -80.6 173.8 7.0 3.6 11.2 185 85 B D H > S+ 0 0 131 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.901 132.8 47.3 -54.4 -42.9 4.6 3.5 8.2 186 86 B L H > S+ 0 0 3 -18,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.918 110.4 51.6 -63.0 -45.8 6.8 6.2 6.6 187 87 B G H > S+ 0 0 0 -19,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.913 109.5 50.5 -55.7 -45.2 10.0 4.3 7.5 188 88 B V H X S+ 0 0 61 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.882 108.8 52.2 -59.7 -42.0 8.5 1.2 5.9 189 89 B E H X S+ 0 0 77 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.850 107.4 51.5 -65.7 -37.8 7.7 3.2 2.7 190 90 B I H >X S+ 0 0 0 -4,-2.1 3,-1.3 2,-0.2 4,-0.6 0.957 110.0 48.3 -63.2 -51.7 11.3 4.5 2.5 191 91 B V H >X S+ 0 0 20 -4,-2.1 3,-1.9 1,-0.3 4,-1.5 0.906 104.1 62.8 -53.2 -44.1 12.7 1.0 2.7 192 92 B E H 3X S+ 0 0 89 -4,-2.2 4,-1.1 1,-0.3 -1,-0.3 0.772 93.4 62.7 -51.0 -31.7 10.1 -0.0 -0.0 193 93 B C H << S+ 0 0 43 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.758 105.8 44.9 -66.0 -27.8 11.9 2.4 -2.4 194 94 B F H << S+ 0 0 70 -3,-1.9 -2,-0.2 -4,-0.6 -1,-0.2 0.799 104.3 66.2 -79.9 -33.0 15.0 0.3 -2.1 195 95 B K H < 0 0 154 -4,-1.5 -2,-0.2 1,-0.0 -1,-0.1 0.767 360.0 360.0 -60.9 -34.5 12.9 -2.9 -2.5 196 96 B Q < 0 0 125 -4,-1.1 -1,-0.0 0, 0.0 0, 0.0 -0.901 360.0 360.0-136.5 360.0 11.9 -2.1 -6.1