==== 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/DNA 08-SEP-09 3JR9 . COMPND 2 MOLECULE: DNA-BINDING PROTEIN FIS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.STELLA,D.CASCIO,R.C.JOHNSON . 189 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11467.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 74.6 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 . 12 6.3 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 1.1 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 . 10 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 46.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.2 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 0 2 0 2 0 0 0 1 1 0 0 0 0 2 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 8 A S 0 0 184 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.7 -5.9 16.1 13.8 2 9 A D - 0 0 61 1,-0.1 0, 0.0 3,-0.0 0, 0.0 -0.801 360.0-160.7-153.0 103.0 -2.6 15.3 12.0 3 10 A V S S+ 0 0 76 -2,-0.3 2,-0.8 1,-0.1 130,-0.1 0.726 70.0 60.8 -71.8 -32.1 0.3 14.3 14.3 4 11 A L S S+ 0 0 3 141,-0.1 16,-2.4 125,-0.1 17,-0.4 -0.824 70.2 146.3-104.2 102.6 3.5 14.8 12.2 5 12 A T E -A 19 0A 15 -2,-0.8 2,-0.2 121,-0.5 124,-0.2 -0.981 33.9-147.2-142.4 149.8 3.9 18.4 11.1 6 13 A V E -A 18 0A 6 12,-2.7 12,-1.8 -2,-0.3 2,-0.4 -0.690 28.2-106.4-112.1 161.6 6.6 21.0 10.5 7 14 A S E -A 17 0A 51 -2,-0.2 2,-0.3 10,-0.2 10,-0.2 -0.759 33.9-175.3 -95.5 131.8 6.5 24.8 10.9 8 15 A T E -A 16 0A 42 8,-2.8 8,-1.5 -2,-0.4 2,-0.4 -0.832 13.3-146.6-116.0 158.4 6.3 27.1 7.9 9 16 A V E -A 15 0A 68 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.998 12.3-156.1-122.2 137.0 6.4 31.0 7.7 10 17 A N > - 0 0 66 4,-1.6 3,-2.0 -2,-0.4 4,-0.3 -0.540 40.6 -87.8-101.6 171.6 4.6 33.0 5.1 11 18 A S T 3 S+ 0 0 129 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.717 125.8 57.2 -52.1 -28.1 5.2 36.5 3.7 12 19 A Q T 3 S- 0 0 141 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 -0.007 118.8-107.4 -95.2 28.4 3.3 38.1 6.6 13 20 A D S < S+ 0 0 121 -3,-2.0 2,-0.6 1,-0.2 -2,-0.2 0.782 70.2 148.1 54.6 31.5 5.5 36.4 9.3 14 21 A Q - 0 0 100 -4,-0.3 -4,-1.6 2,-0.0 2,-0.3 -0.865 39.8-145.0 -98.1 124.1 2.7 34.0 10.3 15 22 A V E +A 9 0A 99 -2,-0.6 2,-0.3 -6,-0.2 -6,-0.2 -0.638 29.2 165.3 -84.8 149.5 3.9 30.6 11.5 16 23 A T E -A 8 0A 65 -8,-1.5 -8,-2.8 -2,-0.3 2,-0.1 -0.967 32.7-107.3-168.8 139.1 1.6 27.8 10.5 17 24 A Q E -A 7 0A 83 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.434 27.6-179.2 -78.5 151.4 1.8 23.9 10.4 18 25 A K E -A 6 0A 46 -12,-1.8 -12,-2.7 -2,-0.1 5,-0.1 -0.976 38.0 -95.6-143.0 144.6 2.1 21.7 7.4 19 26 A P E >> -A 5 0A 26 0, 0.0 3,-1.5 0, 0.0 4,-0.8 -0.211 26.9-127.7 -55.8 142.2 2.2 17.9 7.2 20 27 A L H >> S+ 0 0 2 -16,-2.4 4,-1.9 1,-0.3 3,-0.7 0.826 108.7 69.0 -56.5 -32.1 5.7 16.4 7.1 21 28 A R H 3> S+ 0 0 72 -17,-0.4 4,-1.8 1,-0.3 -1,-0.3 0.758 91.9 58.2 -63.6 -25.3 4.5 14.5 4.0 22 29 A D H <> S+ 0 0 74 -3,-1.5 4,-2.6 2,-0.2 -1,-0.3 0.836 105.3 51.0 -68.9 -36.3 4.3 17.8 2.1 23 30 A S H + 0 0 96 1,-0.1 4,-1.2 2,-0.1 131,-0.2 -0.407 66.9 144.7-134.6 60.9 17.7 2.9 -5.1 43 50 A L H > + 0 0 0 129,-2.0 4,-2.3 1,-0.2 5,-0.2 0.778 68.6 56.5 -75.5 -28.6 15.2 5.7 -4.2 44 51 A Y H > S+ 0 0 37 129,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.964 112.0 40.0 -66.9 -52.8 13.3 3.7 -1.5 45 52 A E H > S+ 0 0 78 128,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.735 113.5 59.9 -70.2 -19.9 16.4 2.9 0.6 46 53 A L H X S+ 0 0 38 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.964 112.4 34.8 -69.0 -54.2 17.6 6.5 -0.1 47 54 A V H X S+ 0 0 1 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.849 114.6 58.5 -70.9 -35.5 14.6 8.2 1.4 48 55 A L H >X S+ 0 0 22 -4,-2.5 4,-3.3 -5,-0.2 3,-0.6 0.926 106.6 48.5 -57.4 -45.0 14.4 5.5 4.1 49 56 A A H 3X S+ 0 0 19 -4,-1.8 4,-1.4 1,-0.3 -1,-0.2 0.881 108.4 54.7 -62.6 -39.4 17.9 6.4 5.2 50 57 A E H 3< S+ 0 0 3 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.776 118.0 35.0 -65.7 -25.3 17.0 10.0 5.2 51 58 A V H S+ 0 0 3 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.744 115.8 54.0 -66.7 -23.8 16.6 11.3 12.5 55 62 A L H X S+ 0 0 2 -4,-1.2 4,-2.1 2,-0.2 5,-0.2 0.896 113.0 41.4 -72.7 -43.1 13.9 9.0 13.9 56 63 A L H X S+ 0 0 1 -4,-2.9 4,-2.3 2,-0.2 5,-0.3 0.942 113.5 55.0 -68.1 -46.3 16.4 6.8 15.7 57 64 A D H X S+ 0 0 56 -4,-3.2 4,-1.5 -5,-0.3 -2,-0.2 0.933 113.1 41.2 -49.6 -52.4 18.3 9.9 16.7 58 65 A M H X S+ 0 0 7 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.855 114.1 47.8 -71.2 -40.2 15.2 11.4 18.4 59 66 A V H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 6,-0.2 0.873 112.0 50.5 -74.0 -33.9 13.6 8.4 20.1 60 67 A M H <>S+ 0 0 35 -4,-2.3 5,-2.7 -5,-0.2 6,-0.3 0.874 112.8 47.7 -65.7 -37.6 17.0 7.3 21.6 61 68 A Q H ><5S+ 0 0 122 -4,-1.5 3,-1.0 -5,-0.3 -2,-0.2 0.929 114.8 45.7 -66.2 -46.6 17.3 10.9 22.8 62 69 A Y H 3<5S+ 0 0 84 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.870 115.1 45.7 -63.6 -42.0 13.7 10.8 24.2 63 70 A T T ><5S- 0 0 4 -4,-3.1 3,-2.4 -5,-0.1 -1,-0.2 0.212 112.6-121.3 -87.8 13.8 14.1 7.4 25.8 64 71 A R T < 5S- 0 0 227 -3,-1.0 -3,-0.2 1,-0.3 -4,-0.1 0.768 72.5 -48.2 57.3 31.1 17.5 8.5 27.2 65 72 A G T 3 - 0 0 66 -3,-2.4 4,-2.5 -6,-0.3 -1,-0.2 -0.514 30.5-171.3 -70.7 94.9 17.1 3.0 26.6 67 74 A Q H > S+ 0 0 58 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.812 82.4 56.1 -53.4 -33.1 17.0 0.7 23.6 68 75 A T H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.969 111.9 37.9 -70.4 -53.6 14.1 -1.3 25.2 69 76 A R H > S+ 0 0 132 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.842 115.4 56.9 -65.4 -35.1 11.6 1.6 25.7 70 77 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.954 108.5 45.0 -58.7 -51.7 12.8 3.0 22.3 71 78 A A H X>S+ 0 0 3 -4,-2.4 5,-2.1 1,-0.2 4,-1.0 0.872 113.4 50.7 -60.8 -38.4 11.9 -0.2 20.5 72 79 A L H <5S+ 0 0 117 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.867 109.5 51.3 -66.8 -38.4 8.5 -0.4 22.3 73 80 A M H <5S+ 0 0 16 -4,-2.2 69,-1.8 1,-0.2 68,-0.6 0.926 113.8 42.7 -62.6 -48.9 7.7 3.2 21.4 74 81 A M H <5S- 0 0 3 -4,-2.3 69,-1.6 67,-0.2 70,-0.6 0.623 109.6-124.6 -74.5 -16.0 8.4 2.6 17.7 75 82 A G T <5S+ 0 0 47 -4,-1.0 2,-0.3 1,-0.3 -3,-0.2 0.841 70.1 115.6 71.1 35.3 6.6 -0.7 17.8 76 83 A I S - 0 0 116 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.298 31.8-123.8 -66.7 147.5 11.6 -5.6 17.9 78 85 A R H > S+ 0 0 140 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.865 114.8 53.4 -56.5 -36.2 14.5 -4.7 20.1 79 86 A G H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.929 106.5 50.1 -64.4 -46.8 16.7 -6.8 17.7 80 87 A T H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.926 110.0 51.8 -56.2 -46.6 15.5 -4.8 14.7 81 88 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.915 108.5 50.3 -57.8 -45.9 16.3 -1.6 16.5 82 89 A R H X S+ 0 0 124 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.935 109.9 50.8 -58.2 -48.8 19.8 -2.7 17.3 83 90 A K H X S+ 0 0 151 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.897 111.3 47.6 -53.9 -48.2 20.4 -3.7 13.7 84 91 A K H X S+ 0 0 42 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.841 109.6 54.1 -66.2 -35.5 19.2 -0.3 12.5 85 92 A L H ><>S+ 0 0 7 -4,-2.4 5,-2.7 -5,-0.2 3,-0.5 0.951 111.4 43.6 -63.0 -48.4 21.3 1.5 15.0 86 93 A K H ><5S+ 0 0 127 -4,-2.5 3,-1.3 3,-0.2 -2,-0.2 0.878 106.0 64.3 -66.4 -34.9 24.5 -0.3 13.8 87 94 A K H 3<5S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.847 113.2 32.7 -54.0 -39.8 23.4 0.3 10.2 88 95 A Y T <<5S- 0 0 36 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.265 116.9-116.5-101.9 8.5 23.8 4.0 10.7 89 96 A G T < 5 + 0 0 58 -3,-1.3 2,-0.5 -4,-0.2 -3,-0.2 0.887 65.5 141.5 61.0 46.5 26.6 3.5 13.1 90 97 A M < 0 0 61 -5,-2.7 -1,-0.1 1,-0.1 -3,-0.1 -0.730 360.0 360.0-120.1 83.1 25.0 5.0 16.2 91 98 A N 0 0 156 -2,-0.5 -1,-0.1 -5,-0.1 -5,-0.1 0.194 360.0 360.0-175.0 360.0 26.0 2.9 19.2 92 !* 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 93 1 B M 0 0 146 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.8 35.0 20.1 -11.5 94 2 B F - 0 0 208 3,-0.0 2,-0.2 0, 0.0 3,-0.0 -0.940 360.0-143.1-114.4 120.3 32.3 18.3 -9.5 95 3 B E - 0 0 191 -2,-0.5 2,-0.2 1,-0.1 0, 0.0 -0.560 28.6-103.2 -82.8 143.6 31.4 19.6 -6.1 96 4 B Q - 0 0 178 -2,-0.2 2,-0.6 1,-0.0 -1,-0.1 -0.482 31.3-167.0 -65.4 127.9 30.6 17.2 -3.3 97 5 B R - 0 0 147 -2,-0.2 5,-0.1 -3,-0.0 -1,-0.0 -0.956 17.7-143.7-114.4 106.9 26.9 16.9 -2.6 98 6 B V > - 0 0 64 -2,-0.6 3,-1.5 1,-0.1 4,-0.2 -0.221 21.8-109.7 -68.5 160.5 26.5 15.0 0.6 99 7 B N G >> S+ 0 0 114 1,-0.3 3,-1.3 2,-0.2 4,-0.7 0.830 117.6 59.7 -59.6 -37.1 23.5 12.6 1.1 100 8 B S G 34 S+ 0 0 32 1,-0.2 19,-0.4 2,-0.1 20,-0.3 0.673 106.1 50.6 -63.5 -17.5 21.8 14.9 3.5 101 9 B D G <4 S+ 0 0 55 -3,-1.5 -1,-0.2 17,-0.1 -2,-0.2 0.309 88.5 79.3-108.7 4.8 21.7 17.5 0.8 102 10 B V T <4 S+ 0 0 25 -3,-1.3 2,-0.7 1,-0.3 -2,-0.1 0.880 99.7 40.7 -73.6 -44.0 20.2 15.3 -2.0 103 11 B L S < S+ 0 0 0 -4,-0.7 16,-2.3 -73,-0.1 2,-0.3 -0.910 86.5 164.4-106.3 105.3 16.7 15.7 -0.6 104 12 B T E -B 118 0B 5 -2,-0.7 2,-0.4 -77,-0.3 -74,-0.2 -0.899 26.3-151.0-128.8 156.4 16.3 19.3 0.6 105 13 B V E -B 117 0B 5 12,-3.0 12,-2.5 -2,-0.3 2,-0.3 -0.954 28.2-108.3-128.6 137.0 13.5 21.7 1.5 106 14 B S E +B 116 0B 55 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.490 45.1 172.3 -68.2 127.6 13.3 25.5 1.2 107 15 B T E -B 115 0B 37 8,-3.3 8,-2.4 -2,-0.3 2,-0.5 -0.828 31.6-122.2-129.8 167.9 13.5 27.3 4.5 108 16 B V E -B 114 0B 65 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.969 30.2-150.7-114.3 127.3 13.8 30.9 5.7 109 17 B N > - 0 0 42 4,-2.3 3,-2.9 -2,-0.5 4,-0.2 -0.351 37.4 -84.4 -94.7 174.7 16.8 31.7 7.9 110 18 B S T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.593 129.8 52.8 -56.7 -11.6 17.4 34.3 10.7 111 19 B Q T 3 S- 0 0 126 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.111 119.3-108.7-104.4 19.4 18.2 36.9 8.0 112 20 B D S < S+ 0 0 116 -3,-2.9 2,-0.4 1,-0.2 -2,-0.1 0.881 75.1 140.3 54.6 41.1 14.9 36.3 6.1 113 21 B Q - 0 0 120 -4,-0.2 -4,-2.3 2,-0.0 2,-0.5 -0.892 55.1-116.8-116.0 145.6 16.9 34.6 3.3 114 22 B V E +B 108 0B 106 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.701 42.1 164.2 -88.6 124.2 15.8 31.4 1.5 115 23 B T E -B 107 0B 54 -8,-2.4 -8,-3.3 -2,-0.5 2,-0.6 -0.948 37.5-114.3-137.6 160.6 18.0 28.3 1.9 116 24 B Q E -B 106 0B 76 -2,-0.3 -10,-0.2 -10,-0.2 -2,-0.0 -0.837 33.3-177.2 -97.2 115.3 17.8 24.6 1.3 117 25 B K E -B 105 0B 78 -12,-2.5 -12,-3.0 -2,-0.6 5,-0.1 -0.856 34.0 -88.1-112.8 148.9 18.0 22.4 4.4 118 26 B P E >> -B 104 0B 20 0, 0.0 4,-1.0 0, 0.0 3,-0.5 -0.042 23.5-126.9 -48.2 148.3 18.0 18.6 4.6 119 27 B L H 3> S+ 0 0 0 -16,-2.3 4,-2.0 -19,-0.4 3,-0.4 0.852 109.6 70.7 -64.5 -34.3 14.8 16.5 4.7 120 28 B R H 3> S+ 0 0 53 -17,-0.3 4,-2.6 -20,-0.3 -1,-0.2 0.889 95.4 51.4 -38.7 -52.0 16.4 15.0 7.8 121 29 B D H <> S+ 0 0 80 -3,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.844 106.2 53.0 -66.5 -35.3 15.9 18.2 9.6 122 30 B S H X S+ 0 0 15 -4,-1.0 4,-2.4 -3,-0.4 -1,-0.2 0.878 110.3 48.5 -63.7 -39.9 12.2 18.4 8.7 123 31 B V H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.898 111.8 50.2 -67.0 -41.4 11.8 14.9 10.1 124 32 B K H X S+ 0 0 50 -4,-2.6 4,-2.9 -5,-0.2 3,-0.2 0.951 111.9 46.8 -58.1 -50.5 13.6 15.9 13.3 125 33 B Q H X S+ 0 0 77 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.933 108.7 53.8 -63.0 -47.7 11.4 19.0 13.7 126 34 B A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -121,-0.5 0.848 113.9 44.6 -50.8 -39.5 8.2 17.1 13.1 127 35 B L H X S+ 0 0 2 -4,-1.6 4,-2.4 -3,-0.2 -2,-0.2 0.874 108.3 54.4 -76.7 -42.3 9.3 14.6 15.9 128 36 B K H X S+ 0 0 125 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.924 114.6 44.1 -52.7 -43.3 10.4 17.3 18.3 129 37 B N H X S+ 0 0 46 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.882 108.9 55.4 -69.1 -43.4 7.0 18.8 17.9 130 38 B Y H < S+ 0 0 30 -4,-1.9 4,-0.3 -5,-0.2 -1,-0.2 0.855 109.0 48.8 -59.1 -36.7 5.2 15.4 18.2 131 39 B F H >< S+ 0 0 22 -4,-2.4 3,-0.8 2,-0.2 -1,-0.2 0.855 103.1 60.8 -73.4 -34.9 7.0 14.8 21.5 132 40 B A H 3< S+ 0 0 66 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.926 107.6 44.5 -54.6 -47.7 5.9 18.3 22.8 133 41 B Q T 3< S+ 0 0 150 -4,-1.7 2,-1.1 1,-0.2 -1,-0.3 0.577 99.6 78.9 -70.5 -12.2 2.2 17.3 22.4 134 42 B L < + 0 0 18 -3,-0.8 2,-0.5 -4,-0.3 -1,-0.2 -0.605 62.2 169.3 -98.4 69.4 3.1 14.0 24.0 135 43 B N S S- 0 0 164 -2,-1.1 3,-0.1 1,-0.2 -1,-0.1 -0.772 80.8 -43.3-121.1 85.7 3.2 15.1 27.7 136 44 B G S S+ 0 0 59 -2,-0.5 -1,-0.2 1,-0.2 -2,-0.1 -0.603 95.8 132.5-140.9 56.4 3.3 12.4 28.5 137 45 B Q - 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0 0 67 -3,-1.7 4,-1.8 -6,-0.4 -1,-0.2 -0.668 27.2-173.4 -79.4 107.3 4.3 2.8 -14.9 166 74 B Q H > S+ 0 0 47 -2,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.750 80.6 56.2 -70.5 -28.9 4.6 0.4 -12.0 167 75 B T H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.959 112.8 39.3 -70.8 -50.7 7.5 -1.5 -13.5 168 76 B R H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.856 114.4 55.5 -65.8 -36.7 9.7 1.6 -13.9 169 77 B A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.971 111.0 42.9 -60.7 -52.2 8.5 2.9 -10.5 170 78 B A H X>S+ 0 0 4 -4,-2.2 5,-2.1 1,-0.2 4,-1.0 0.854 113.5 53.6 -62.7 -36.0 9.6 -0.3 -8.7 171 79 B L H <5S+ 0 0 119 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.885 112.2 43.6 -63.8 -39.5 12.8 -0.4 -10.7 172 80 B M H <5S+ 0 0 14 -4,-2.4 -129,-2.0 1,-0.2 -2,-0.2 0.789 114.5 47.4 -84.2 -26.6 13.7 3.2 -9.7 173 81 B M H <5S- 0 0 4 -4,-2.4 -129,-1.8 -131,-0.2 -128,-0.6 0.657 110.1-127.9 -77.5 -18.5 12.7 2.8 -6.0 174 82 B G T <5 + 0 0 41 -4,-1.0 2,-0.3 -5,-0.3 -3,-0.2 0.831 66.1 120.6 74.0 34.9 14.7 -0.5 -6.1 175 83 B I S > - 0 0 120 -2,-0.3 4,-1.6 1,-0.1 3,-0.6 -0.228 37.2-122.9 -52.2 144.3 10.2 -5.8 -6.1 177 85 B R H 3> S+ 0 0 133 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.824 110.2 58.1 -61.5 -32.0 7.3 -4.9 -8.3 178 86 B G H 3> S+ 0 0 38 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.826 104.8 48.0 -69.2 -33.3 5.0 -7.0 -6.1 179 87 B T H <> S+ 0 0 53 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.812 108.5 55.8 -80.5 -27.3 5.8 -5.1 -3.0 180 88 B L H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.930 108.6 47.4 -62.5 -46.0 5.2 -1.8 -4.9 181 89 B R H X S+ 0 0 134 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.893 111.7 51.3 -63.7 -37.1 1.8 -3.0 -5.8 182 90 B K H X S+ 0 0 159 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.923 112.3 45.1 -62.2 -48.4 1.2 -4.0 -2.2 183 91 B K H X S+ 0 0 41 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.900 111.4 52.7 -63.6 -44.5 2.3 -0.6 -0.8 184 92 B L H ><>S+ 0 0 1 -4,-2.9 5,-2.6 1,-0.2 3,-0.7 0.940 109.6 49.5 -55.5 -49.4 0.2 1.2 -3.5 185 93 B K H ><5S+ 0 0 155 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.925 104.6 59.4 -54.9 -49.9 -2.8 -0.8 -2.4 186 94 B K H 3<5S+ 0 0 104 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.811 114.4 36.1 -45.0 -38.0 -2.1 0.0 1.3 187 95 B Y T <<5S- 0 0 43 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.321 115.4-109.3-107.0 7.5 -2.5 3.7 0.5 188 96 B G T < 5 + 0 0 60 -3,-1.7 2,-0.3 -4,-0.4 -3,-0.2 0.849 69.8 140.9 71.0 37.4 -5.3 3.5 -2.1 189 97 B M < 0 0 53 -5,-2.6 -4,-0.1 -6,-0.1 -1,-0.1 -0.358 360.0 360.0-109.2 53.9 -3.1 4.4 -5.1 190 98 B N 0 0 147 -2,-0.3 -5,-0.0 -6,-0.1 -9,-0.0 -0.277 360.0 360.0-162.0 360.0 -4.6 2.0 -7.7