==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 09-SEP-11 3TR3 . COMPND 2 MOLECULE: BOLA; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR J.CHEUNG,M.FRANKLIN,M.RUDOLPH,M.CASSIDY,E.GARY,F.BURSHTEYN,J . 159 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 10.1 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 . 2 1.3 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 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 2 1 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 . 0 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 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 1 A X 0 0 193 0, 0.0 2,-0.4 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 122.7 48.7 -13.9 -2.9 2 2 A V - 0 0 23 25,-0.4 2,-0.2 60,-0.1 25,-0.1 -0.787 360.0-166.0 -95.6 136.7 44.8 -14.1 -2.8 3 3 A T > - 0 0 43 -2,-0.4 4,-2.0 23,-0.1 3,-0.4 -0.713 38.0-107.9-121.9 164.2 43.2 -14.5 0.6 4 4 A T H > S+ 0 0 9 1,-0.2 4,-1.8 -2,-0.2 5,-0.1 0.698 121.1 61.8 -59.8 -23.2 39.8 -15.4 2.1 5 5 A H H > S+ 0 0 116 2,-0.2 4,-2.4 1,-0.1 -1,-0.2 0.903 104.0 47.6 -68.6 -42.6 39.6 -11.7 2.9 6 6 A D H > S+ 0 0 39 -3,-0.4 4,-3.0 2,-0.2 -2,-0.2 0.946 110.1 52.0 -57.8 -51.1 39.7 -11.0 -0.8 7 7 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.896 112.3 45.6 -54.5 -43.9 37.0 -13.6 -1.6 8 8 A K H X S+ 0 0 51 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.930 113.2 48.5 -68.5 -50.2 34.7 -12.1 1.0 9 9 A Q H X S+ 0 0 94 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.919 114.4 47.5 -51.6 -48.3 35.2 -8.5 -0.1 10 10 A W H X S+ 0 0 51 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.901 112.4 46.3 -67.5 -45.5 34.7 -9.5 -3.8 11 11 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.829 113.6 50.0 -62.7 -35.1 31.5 -11.6 -3.3 12 12 A E H < S+ 0 0 71 -4,-1.9 6,-0.3 -5,-0.2 5,-0.2 0.760 113.0 45.7 -80.5 -27.0 30.0 -8.8 -1.1 13 13 A T H < S+ 0 0 116 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.946 120.5 38.9 -74.7 -52.5 30.7 -6.1 -3.6 14 14 A G H < S+ 0 0 39 -4,-2.4 2,-0.7 -5,-0.2 -2,-0.2 0.851 112.5 55.2 -68.0 -40.8 29.4 -8.1 -6.5 15 15 A L S >< S- 0 0 22 -4,-2.5 3,-1.3 -5,-0.2 -1,-0.1 -0.860 89.8-129.2-105.4 114.6 26.4 -9.8 -5.0 16 16 A S T 3 S+ 0 0 82 -2,-0.7 3,-0.1 1,-0.3 -3,-0.1 -0.302 82.8 1.6 -69.2 140.1 24.1 -7.2 -3.5 17 17 A E T 3 S+ 0 0 133 -5,-0.2 -1,-0.3 1,-0.2 2,-0.2 0.773 98.2 134.4 55.1 30.8 22.9 -7.7 0.1 18 18 A S < - 0 0 15 -3,-1.3 2,-0.4 -6,-0.3 18,-0.2 -0.653 40.2-156.7-102.5 164.6 25.0 -10.9 0.5 19 19 A R E -A 35 0A 133 16,-2.0 16,-2.8 -2,-0.2 2,-0.9 -0.970 10.9-148.1-145.4 122.0 27.2 -11.7 3.5 20 20 A V E +A 34 0A 4 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.848 19.6 177.7 -88.3 106.7 30.1 -14.1 3.5 21 21 A I E + 0 0 11 12,-1.3 2,-0.3 -2,-0.9 -1,-0.2 0.739 64.0 5.6 -85.7 -26.4 30.1 -15.5 7.1 22 22 A S E -A 33 0A 3 11,-1.0 11,-2.7 2,-0.0 2,-0.3 -0.996 60.5-179.9-153.0 163.9 33.0 -17.9 6.7 23 23 A A E -Ab 32 103A 4 79,-1.3 81,-1.5 -2,-0.3 2,-0.3 -0.990 8.6-163.3-161.9 148.7 35.7 -18.8 4.3 24 24 A E E +Ab 31 104A 10 7,-2.0 7,-2.4 -2,-0.3 2,-0.3 -0.915 18.7 165.7-128.8 154.7 38.6 -21.2 3.9 25 25 A G E -Ab 30 105A 2 79,-1.9 81,-1.1 -2,-0.3 5,-0.2 -0.941 36.4-162.6-168.7 151.9 41.4 -21.1 1.4 26 26 A D - 0 0 78 3,-2.2 4,-0.1 -2,-0.3 79,-0.1 0.157 69.4 -91.2-113.7 14.0 44.9 -22.4 0.4 27 27 A G S S+ 0 0 14 2,-0.4 -25,-0.4 1,-0.1 37,-0.3 -0.012 123.3 33.5 99.5 -32.7 45.8 -19.6 -2.1 28 28 A H S S+ 0 0 117 1,-0.3 37,-2.2 35,-0.1 2,-0.4 0.646 115.6 51.2-117.6 -54.0 44.4 -21.5 -5.1 29 29 A H E + c 0 65A 106 35,-0.2 -3,-2.2 34,-0.1 -2,-0.4 -0.777 69.5 175.0 -91.9 134.7 41.4 -23.5 -3.7 30 30 A F E -Ac 25 66A 7 35,-1.7 37,-2.6 -2,-0.4 2,-0.3 -0.940 19.3-160.6-135.4 153.5 38.8 -21.6 -1.7 31 31 A E E -Ac 24 67A 37 -7,-2.4 -7,-2.0 -2,-0.3 2,-0.4 -0.982 10.6-171.9-128.6 145.6 35.4 -22.2 0.0 32 32 A A E -Ac 23 68A 0 35,-1.4 37,-2.3 -2,-0.3 2,-0.5 -1.000 18.3-148.1-137.6 140.7 32.8 -19.6 1.1 33 33 A V E -Ac 22 69A 9 -11,-2.7 -12,-1.3 -2,-0.4 -11,-1.0 -0.937 29.5-169.7-102.4 123.2 29.6 -19.8 3.1 34 34 A V E -Ac 20 70A 0 35,-2.8 37,-2.7 -2,-0.5 2,-0.4 -0.963 14.1-163.5-126.0 132.6 27.3 -17.1 1.7 35 35 A L E +Ac 19 71A 8 -16,-2.8 -16,-2.0 -2,-0.4 37,-0.2 -0.928 20.3 153.0-114.3 140.6 24.0 -15.8 3.0 36 36 A C > - 0 0 0 35,-1.6 3,-0.7 -2,-0.4 -18,-0.1 -0.907 41.7-141.0-165.3 133.0 21.5 -13.8 1.0 37 37 A P G > S+ 0 0 62 0, 0.0 3,-2.1 0, 0.0 35,-0.1 0.852 100.3 70.7 -67.7 -34.7 17.7 -13.4 1.2 38 38 A T G 3 S+ 0 0 56 1,-0.3 4,-0.1 -21,-0.2 34,-0.1 0.835 80.0 74.4 -43.8 -43.2 17.5 -13.5 -2.6 39 39 A F G X + 0 0 0 -3,-0.7 3,-2.1 32,-0.2 -1,-0.3 0.590 69.2 121.4 -54.9 -12.3 18.4 -17.2 -2.5 40 40 A E T < S+ 0 0 137 -3,-2.1 3,-0.1 1,-0.3 31,-0.0 -0.381 83.6 6.2 -56.2 124.7 14.8 -17.8 -1.3 41 41 A G T 3 S+ 0 0 78 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.369 106.2 115.0 82.5 -4.3 13.0 -20.1 -3.7 42 42 A Q < - 0 0 54 -3,-2.1 -1,-0.3 -4,-0.1 2,-0.0 -0.765 67.3-116.7-101.1 144.8 16.2 -20.7 -5.8 43 43 A T > - 0 0 85 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.284 28.3-108.6 -72.4 161.6 17.9 -24.1 -6.1 44 44 A A H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.923 121.1 53.0 -53.8 -43.5 21.4 -24.7 -4.8 45 45 A L H > S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 110.0 47.1 -62.0 -43.0 22.7 -24.9 -8.4 46 46 A T H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.903 110.7 52.0 -62.7 -45.0 21.1 -21.5 -9.2 47 47 A R H X S+ 0 0 19 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.870 109.4 49.8 -62.7 -40.9 22.5 -19.9 -6.1 48 48 A H H X S+ 0 0 47 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.927 110.3 49.7 -62.1 -46.5 26.0 -21.0 -6.9 49 49 A R H X S+ 0 0 136 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.918 107.5 55.7 -59.8 -41.7 25.8 -19.7 -10.5 50 50 A L H X S+ 0 0 43 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.895 110.4 44.9 -58.5 -37.5 24.5 -16.4 -9.1 51 51 A V H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.887 110.7 51.3 -76.2 -44.4 27.6 -16.0 -7.0 52 52 A Y H < S+ 0 0 73 -4,-2.4 4,-0.4 2,-0.2 7,-0.2 0.913 114.1 45.9 -55.0 -46.9 30.1 -17.1 -9.6 53 53 A N H >< S+ 0 0 101 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.928 106.0 58.3 -63.3 -46.1 28.6 -14.5 -12.0 54 54 A A H 3< S+ 0 0 29 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.891 103.1 56.8 -50.2 -35.5 28.6 -11.9 -9.2 55 55 A L T >< S+ 0 0 2 -4,-1.6 3,-2.1 1,-0.2 -1,-0.3 0.629 84.8 172.7 -73.6 -15.9 32.3 -12.5 -9.1 56 56 A G G X + 0 0 45 -3,-1.9 3,-1.5 -4,-0.4 4,-0.2 -0.068 64.5 2.5 54.3-131.8 32.8 -11.7 -12.8 57 57 A S G >> S+ 0 0 76 1,-0.3 3,-0.8 2,-0.2 4,-0.7 0.526 112.7 85.3 -70.5 -3.7 36.4 -11.5 -14.1 58 58 A H G <4>S+ 0 0 51 -3,-2.1 5,-2.6 1,-0.2 4,-0.4 0.836 84.7 59.8 -66.6 -27.2 37.7 -12.5 -10.7 59 59 A X G <45S+ 0 0 61 -3,-1.5 -1,-0.2 -7,-0.2 -2,-0.2 0.744 89.3 73.1 -68.5 -24.6 37.2 -16.1 -11.8 60 60 A Q T <45S- 0 0 163 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.2 0.913 128.7 -31.8 -59.0 -50.7 39.5 -15.8 -14.7 61 61 A S T <5S+ 0 0 95 -4,-0.7 3,-0.2 -3,-0.3 -2,-0.1 0.535 125.8 70.7-145.4 -28.0 42.8 -15.8 -12.8 62 62 A D T 5S+ 0 0 69 -5,-0.5 2,-0.8 -4,-0.4 -3,-0.2 0.971 106.8 42.1 -61.7 -53.5 42.5 -14.2 -9.3 63 63 A I < - 0 0 1 -5,-2.6 -1,-0.2 1,-0.2 3,-0.1 -0.848 68.3-172.3 -96.8 103.6 40.5 -17.1 -8.0 64 64 A H S S- 0 0 112 -2,-0.8 2,-0.3 -37,-0.3 -35,-0.2 0.965 73.0 -10.9 -54.8 -57.5 41.9 -20.4 -9.2 65 65 A A E -c 29 0A 25 -37,-2.2 -35,-1.7 2,-0.0 2,-0.4 -0.995 63.0-171.6-150.9 150.9 38.9 -22.5 -7.8 66 66 A L E -c 30 0A 13 -2,-0.3 2,-0.3 -37,-0.2 -35,-0.2 -0.941 5.7-168.1-151.0 114.2 36.0 -21.9 -5.5 67 67 A S E -c 31 0A 55 -37,-2.6 -35,-1.4 -2,-0.4 2,-0.3 -0.722 20.3-154.5 -95.8 158.1 33.4 -24.1 -3.9 68 68 A L E -c 32 0A 11 -2,-0.3 2,-0.4 -37,-0.2 -35,-0.2 -0.957 24.6-161.9-134.6 145.5 30.3 -22.6 -2.1 69 69 A K E -c 33 0A 68 -37,-2.3 -35,-2.8 -2,-0.3 2,-0.5 -0.997 26.3-164.2-116.9 127.3 27.6 -23.3 0.5 70 70 A T E +c 34 0A 14 -2,-0.4 2,-0.3 -37,-0.2 -35,-0.2 -0.941 14.4 164.3-122.1 121.1 24.7 -20.9 -0.1 71 71 A Y E -c 35 0A 71 -37,-2.7 -35,-1.6 -2,-0.5 -32,-0.2 -0.947 37.9-119.3-130.4 149.9 21.9 -20.2 2.5 72 72 A T > - 0 0 8 -2,-0.3 4,-1.7 -37,-0.2 5,-0.2 -0.665 43.3-108.7 -75.3 143.8 19.2 -17.7 3.1 73 73 A P H > S+ 0 0 51 0, 0.0 4,-1.1 0, 0.0 3,-0.2 0.872 121.7 49.1 -39.9 -41.3 19.8 -15.8 6.5 74 74 A D H >> S+ 0 0 116 1,-0.2 3,-0.7 2,-0.2 4,-0.7 0.935 103.6 54.7 -68.8 -49.2 16.9 -17.8 7.8 75 75 A E H 34 S+ 0 0 64 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.772 105.8 57.1 -53.5 -27.5 17.9 -21.3 6.6 76 76 A Y H 3< S+ 0 0 63 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.857 98.2 57.5 -76.0 -37.2 21.2 -20.7 8.5 77 77 A E H << 0 0 145 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.635 360.0 360.0 -57.4 -19.2 19.4 -20.1 11.8 78 78 A R < 0 0 233 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.1 -0.207 360.0 360.0 90.2 360.0 17.9 -23.6 11.2 79 !* 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 80 -1 B N 0 0 87 0, 0.0 3,-0.3 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 121.0 44.1 -36.6 10.4 81 0 B A + 0 0 108 1,-0.2 2,-0.3 2,-0.0 0, 0.0 0.719 360.0 36.8 -64.6 -22.6 47.4 -37.7 8.8 82 1 B X S S- 0 0 156 62,-0.0 -1,-0.2 27,-0.0 27,-0.1 -0.774 90.1-145.6-135.8 94.8 47.0 -34.9 6.2 83 2 B V - 0 0 9 25,-0.4 2,-0.2 -2,-0.3 -2,-0.0 -0.249 14.8-169.3 -75.7 134.3 45.4 -31.7 7.7 84 3 B T > - 0 0 68 1,-0.1 4,-1.7 23,-0.1 3,-0.1 -0.665 37.4-110.5-110.2 172.0 43.0 -29.5 5.7 85 4 B T H > S+ 0 0 24 -2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.811 119.9 57.2 -67.6 -29.7 41.6 -26.1 6.5 86 5 B H H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.790 104.3 53.7 -71.8 -31.1 38.1 -27.7 6.9 87 6 B D H > S+ 0 0 22 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.954 106.3 50.6 -57.9 -55.0 39.7 -29.9 9.6 88 7 B I H X S+ 0 0 1 -4,-1.7 4,-1.9 1,-0.2 5,-0.2 0.909 114.3 46.2 -53.6 -42.9 41.0 -26.9 11.5 89 8 B K H X S+ 0 0 22 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.900 114.7 43.8 -70.4 -46.3 37.5 -25.3 11.3 90 9 B Q H X S+ 0 0 95 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.894 113.6 50.9 -63.5 -43.7 35.5 -28.4 12.4 91 10 B W H X S+ 0 0 39 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.906 111.9 45.6 -65.2 -44.7 37.9 -29.4 15.3 92 11 B I H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.923 114.1 48.2 -68.0 -43.5 38.0 -25.9 16.9 93 12 B E H < S+ 0 0 61 -4,-1.8 6,-0.3 -5,-0.2 -1,-0.2 0.777 113.8 48.7 -67.0 -24.7 34.2 -25.5 16.6 94 13 B T H < S+ 0 0 119 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.935 117.6 39.1 -77.0 -47.1 33.7 -29.0 18.1 95 14 B G H < S+ 0 0 43 -4,-2.6 2,-0.6 1,-0.2 -2,-0.2 0.730 114.9 52.3 -76.3 -25.4 36.1 -28.4 21.0 96 15 B L S >< S- 0 0 17 -4,-2.1 3,-1.5 -5,-0.2 -1,-0.2 -0.913 84.2-132.9-122.9 105.3 35.2 -24.8 21.9 97 16 B S T 3 S+ 0 0 88 -2,-0.6 22,-0.3 1,-0.3 3,-0.1 -0.219 85.6 11.5 -63.2 143.3 31.5 -24.0 22.4 98 17 B E T 3 S+ 0 0 152 1,-0.2 2,-0.3 -5,-0.2 -1,-0.3 0.619 95.3 136.3 66.9 14.6 30.0 -21.0 20.8 99 18 B S < - 0 0 16 -3,-1.5 2,-0.4 -6,-0.3 -1,-0.2 -0.711 37.1-164.4 -92.8 147.4 33.0 -20.5 18.6 100 19 B R E - D 0 116A 88 16,-2.3 16,-2.4 -2,-0.3 2,-1.1 -0.994 13.8-148.3-123.6 121.3 32.9 -19.7 14.8 101 20 B V E + D 0 115A 1 -2,-0.4 14,-0.2 14,-0.2 -78,-0.2 -0.772 21.6 177.4 -85.1 96.8 36.0 -20.2 12.7 102 21 B I E + 0 0 18 -2,-1.1 -79,-1.3 12,-0.9 2,-0.3 0.690 67.9 21.3 -79.3 -17.6 35.3 -17.3 10.2 103 22 B S E +bD 23 114A 14 11,-1.2 11,-2.2 -81,-0.2 2,-0.4 -0.925 60.0 175.0-152.5 127.6 38.5 -17.8 8.3 104 23 B A E +bD 24 113A 2 -81,-1.5 -79,-1.9 -2,-0.3 2,-0.3 -0.977 14.8 168.8-131.3 121.6 40.9 -20.8 8.0 105 24 B E E +bD 25 112A 28 7,-2.7 7,-2.4 -2,-0.4 2,-0.2 -0.911 16.1 91.2-132.9 154.4 44.0 -20.7 5.6 106 25 B G E - D 0 111A 18 -81,-1.1 5,-0.2 -2,-0.3 -21,-0.2 -0.811 61.4 -98.3 144.6-178.4 47.1 -22.8 5.0 107 26 B D S S- 0 0 115 3,-1.2 4,-0.1 -2,-0.2 -81,-0.1 0.060 74.1 -77.9-123.7 16.1 48.9 -25.7 3.1 108 27 B G S S+ 0 0 18 2,-0.2 -25,-0.4 1,-0.1 37,-0.3 0.207 127.6 39.7 101.9 -16.5 48.8 -28.7 5.5 109 28 B H S S+ 0 0 113 1,-0.4 37,-2.0 35,-0.1 2,-0.5 0.596 112.4 43.0-130.5 -51.7 51.7 -27.5 7.7 110 29 B H E S+ e 0 146A 105 35,-0.2 -3,-1.2 34,-0.1 -1,-0.4 -0.907 71.0 171.5-106.8 127.7 51.4 -23.7 8.3 111 30 B F E -De 106 147A 9 35,-1.4 37,-2.5 -2,-0.5 2,-0.3 -0.894 22.4-157.5-130.2 160.4 47.9 -22.4 9.0 112 31 B E E -De 105 148A 102 -7,-2.4 -7,-2.7 -2,-0.3 2,-0.3 -0.990 14.8-175.0-134.4 139.6 46.1 -19.2 10.1 113 32 B A E -De 104 149A 2 35,-2.0 37,-2.3 -2,-0.3 2,-0.5 -0.986 18.8-152.7-136.5 143.2 42.7 -19.1 11.8 114 33 B V E -De 103 150A 24 -11,-2.2 -11,-1.2 -2,-0.3 -12,-0.9 -0.989 25.4-169.1-114.3 122.0 40.4 -16.2 12.8 115 34 B V E -De 101 151A 0 35,-3.0 37,-3.3 -2,-0.5 2,-0.5 -0.968 13.2-160.9-122.0 130.0 38.3 -17.4 15.7 116 35 B L E +De 100 152A 19 -16,-2.4 -16,-2.3 -2,-0.4 37,-0.2 -0.948 23.5 154.0-107.0 133.1 35.2 -15.7 17.2 117 36 B C > - 0 0 0 35,-2.3 3,-1.5 -2,-0.5 -18,-0.2 -0.883 41.1-147.2-157.4 127.3 34.1 -16.7 20.7 118 37 B P G > S+ 0 0 64 0, 0.0 3,-1.7 0, 0.0 35,-0.1 0.745 97.9 73.8 -64.5 -20.7 32.2 -14.7 23.4 119 38 B T G 3 S+ 0 0 74 1,-0.3 34,-0.1 -22,-0.3 -21,-0.0 0.673 81.0 70.5 -64.3 -18.6 34.2 -16.7 26.0 120 39 B F G X + 0 0 0 -3,-1.5 3,-2.5 32,-0.2 -1,-0.3 0.616 69.5 123.0 -75.7 -10.0 37.2 -14.6 25.1 121 40 B E T < S+ 0 0 117 -3,-1.7 3,-0.1 1,-0.3 31,-0.0 -0.334 86.0 2.3 -56.6 120.8 35.6 -11.6 26.8 122 41 B G T 3 S+ 0 0 68 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.530 105.3 120.8 84.1 6.0 37.9 -10.4 29.5 123 42 B Q < - 0 0 85 -3,-2.5 -1,-0.3 1,-0.1 -3,-0.0 -0.804 65.2-113.7-106.5 144.0 40.7 -12.9 28.6 124 43 B T > - 0 0 86 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.271 30.6-107.5 -67.5 161.4 44.2 -12.0 27.6 125 44 B A H > S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.910 122.1 54.0 -54.5 -42.4 45.4 -12.7 24.0 126 45 B L H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 110.7 44.6 -60.5 -46.4 47.6 -15.5 25.5 127 46 B T H > S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 110.5 54.4 -61.7 -43.3 44.6 -17.1 27.3 128 47 B R H X S+ 0 0 23 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.957 111.4 46.1 -58.4 -46.6 42.4 -16.8 24.2 129 48 B H H X S+ 0 0 48 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.881 110.4 52.9 -63.2 -41.1 45.0 -18.6 22.1 130 49 B R H X S+ 0 0 156 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.886 103.8 55.4 -66.0 -38.4 45.5 -21.3 24.8 131 50 B L H X S+ 0 0 60 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.902 110.8 47.2 -56.9 -39.6 41.8 -22.1 24.9 132 51 B V H X S+ 0 0 0 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.939 112.3 46.9 -70.3 -47.5 41.9 -22.7 21.2 133 52 B Y H < S+ 0 0 77 -4,-2.4 4,-0.4 1,-0.2 7,-0.3 0.853 114.3 49.8 -60.4 -36.3 45.1 -24.9 21.2 134 53 B N H >< S+ 0 0 129 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.900 105.7 55.2 -71.0 -42.3 43.5 -26.8 24.1 135 54 B A H 3< S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.743 103.3 57.3 -54.4 -28.8 40.2 -27.3 22.2 136 55 B L T >X S+ 0 0 3 -4,-1.2 3,-1.9 1,-0.2 4,-0.7 0.589 86.3 174.6 -84.3 -9.9 42.3 -28.9 19.3 137 56 B G H X> - 0 0 42 -3,-1.2 4,-0.9 -4,-0.4 3,-0.5 -0.101 64.2 -0.2 50.0-123.7 43.6 -31.4 21.8 138 57 B S H 3>>S+ 0 0 72 1,-0.2 4,-2.8 2,-0.2 5,-0.6 0.700 125.6 68.6 -73.6 -21.5 45.7 -34.1 20.3 139 58 B H H <>>S+ 0 0 51 -3,-1.9 5,-2.5 1,-0.2 4,-1.6 0.904 103.7 45.7 -59.8 -41.0 45.4 -32.6 16.8 140 59 B X H <<5S+ 0 0 44 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.805 114.7 47.9 -69.7 -30.2 47.5 -29.7 18.0 141 60 B Q H <5S+ 0 0 161 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.929 132.5 7.7 -80.3 -42.3 50.0 -32.0 19.6 142 61 B S H <5S+ 0 0 93 -4,-2.8 -3,-0.2 0, 0.0 -2,-0.2 0.701 129.1 38.2-113.1 -31.2 50.5 -34.4 16.8 143 62 B D T < - 0 0 3 -2,-0.3 4,-2.1 -37,-0.2 5,-0.2 -0.664 41.2-108.4 -78.2 155.1 34.8 -11.7 20.6 154 73 B P H > S+ 0 0 40 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.888 121.8 51.0 -48.5 -42.2 31.8 -11.3 18.4 155 74 B D H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.880 105.3 52.2 -66.5 -42.5 31.6 -7.7 19.5 156 75 B E H 4 S+ 0 0 84 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.893 114.5 47.4 -58.9 -35.6 35.3 -6.9 18.8 157 76 B Y H >< S+ 0 0 90 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.966 111.9 44.9 -73.5 -51.5 34.6 -8.3 15.3 158 77 B E H 3< S+ 0 0 140 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.738 113.0 52.9 -59.5 -26.9 31.2 -6.4 14.5 159 78 B R T 3< 0 0 200 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.487 360.0 360.0 -90.8 -6.0 32.7 -3.1 15.8 160 79 B G < 0 0 125 -3,-1.3 -3,-0.0 -4,-0.3 -4,-0.0 -0.529 360.0 360.0 -71.8 360.0 35.7 -3.5 13.5