==== 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 3JRG . 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) . 11564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 75.1 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 . 13 6.9 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 1.1 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 . 90 47.6 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 0 2 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 1 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 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 0 185 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -60.9 -6.3 16.9 13.2 2 9 A D - 0 0 66 1,-0.1 3,-0.0 17,-0.0 0, 0.0 -0.970 360.0-157.0-151.8 125.7 -2.9 15.7 12.1 3 10 A V S S+ 0 0 66 -2,-0.3 2,-0.9 1,-0.2 130,-0.1 0.844 76.0 60.0 -82.2 -39.0 0.1 14.6 14.3 4 11 A L S S+ 0 0 2 141,-0.1 16,-2.1 125,-0.1 17,-0.3 -0.805 70.2 139.4 -99.5 102.3 3.2 15.0 12.2 5 12 A T E -A 19 0A 19 -2,-0.9 2,-0.3 121,-0.4 124,-0.2 -0.965 35.3-145.9-142.8 158.8 3.7 18.7 11.1 6 13 A V E -A 18 0A 5 12,-2.9 12,-1.6 -2,-0.3 2,-0.3 -0.905 28.0-101.9-129.4 152.1 6.4 21.3 10.7 7 14 A S E +A 17 0A 51 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.547 38.7 178.3 -81.0 130.6 6.5 25.1 11.2 8 15 A T E -A 16 0A 38 8,-2.1 8,-2.1 -2,-0.3 2,-0.4 -0.792 15.1-147.7-119.6 165.4 6.3 27.4 8.1 9 16 A V E -A 15 0A 79 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.988 8.8-150.9-137.9 132.9 6.3 31.2 7.7 10 17 A N > - 0 0 59 4,-1.8 3,-2.3 -2,-0.4 4,-0.3 -0.485 39.8 -91.6 -94.1 167.4 4.6 33.2 5.0 11 18 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.750 124.1 61.7 -45.9 -32.0 5.5 36.6 3.6 12 19 A Q T 3 S- 0 0 144 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.166 117.6-109.8 -87.5 17.6 3.3 38.3 6.2 13 20 A D S < S+ 0 0 127 -3,-2.3 2,-0.6 1,-0.2 -2,-0.1 0.624 70.9 143.3 66.1 17.3 5.4 36.9 9.1 14 21 A Q - 0 0 98 -4,-0.3 -4,-1.8 2,-0.0 -1,-0.2 -0.790 43.8-142.6 -91.3 121.3 2.7 34.5 10.2 15 22 A V E +A 9 0A 96 -2,-0.6 2,-0.3 -6,-0.2 -6,-0.2 -0.567 28.9 170.9 -76.6 147.6 4.0 31.1 11.5 16 23 A T E -A 8 0A 62 -8,-2.1 -8,-2.1 -2,-0.2 2,-0.1 -0.951 29.1-116.3-166.0 135.2 1.7 28.2 10.5 17 24 A Q E +A 7 0A 82 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.422 27.3 176.8 -78.9 149.1 1.8 24.4 10.6 18 25 A K E -A 6 0A 56 -12,-1.6 -12,-2.9 -2,-0.1 5,-0.1 -0.976 38.7 -92.1-144.3 153.1 1.8 22.0 7.5 19 26 A P E >> -A 5 0A 22 0, 0.0 3,-1.0 0, 0.0 4,-0.6 -0.293 29.6-123.2 -70.3 149.5 2.1 18.3 7.4 20 27 A L H >> S+ 0 0 2 -16,-2.1 4,-1.8 1,-0.2 3,-1.4 0.851 107.6 67.4 -55.9 -39.0 5.5 16.7 7.0 21 28 A R H 3> S+ 0 0 73 -17,-0.3 4,-2.7 1,-0.3 -1,-0.2 0.845 91.5 60.8 -55.1 -37.4 4.4 14.8 3.9 22 29 A D H <> S+ 0 0 79 -3,-1.0 4,-1.6 1,-0.2 -1,-0.3 0.835 107.0 46.7 -57.4 -35.0 4.1 18.2 2.1 23 30 A S H + 0 0 92 1,-0.1 4,-1.2 132,-0.1 131,-0.2 -0.479 66.2 149.6-134.4 65.9 17.7 3.2 -5.2 43 50 A L H > S+ 0 0 0 129,-2.2 4,-2.4 2,-0.2 5,-0.2 0.763 70.4 57.0 -73.6 -27.7 15.3 6.0 -4.2 44 51 A Y H > S+ 0 0 36 129,-1.3 4,-3.2 2,-0.2 5,-0.3 0.981 107.8 45.0 -68.2 -56.2 13.5 4.1 -1.5 45 52 A E H > S+ 0 0 70 128,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.798 113.3 56.6 -56.6 -28.8 16.6 3.3 0.5 46 53 A L H X S+ 0 0 40 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.979 112.1 36.4 -64.4 -59.9 17.6 6.9 -0.0 47 54 A V H X S+ 0 0 2 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.883 116.5 54.7 -66.0 -39.0 14.5 8.5 1.4 48 55 A L H >X S+ 0 0 27 -4,-3.2 4,-3.0 1,-0.2 3,-1.1 0.956 107.9 50.4 -53.3 -52.2 14.3 5.8 4.1 49 56 A A H 3X S+ 0 0 22 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.816 108.7 52.1 -56.4 -35.2 17.9 6.7 5.1 50 57 A E H 3< S+ 0 0 4 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.715 117.2 38.1 -77.4 -20.4 17.0 10.4 5.3 51 58 A V H S+ 0 0 8 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.894 117.4 51.3 -60.9 -41.7 16.3 11.8 12.5 55 62 A L H X S+ 0 0 3 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.925 114.7 41.4 -63.3 -46.8 13.7 9.3 13.9 56 63 A L H X S+ 0 0 1 -4,-3.1 4,-2.3 2,-0.2 5,-0.2 0.986 115.2 50.9 -63.2 -56.2 16.3 7.2 15.6 57 64 A D H X S+ 0 0 54 -4,-2.6 4,-0.7 -5,-0.3 -2,-0.2 0.882 113.0 46.5 -46.4 -47.4 18.3 10.2 16.8 58 65 A M H X S+ 0 0 16 -4,-2.7 4,-2.3 1,-0.2 3,-0.4 0.869 111.5 47.3 -71.0 -41.0 15.1 11.8 18.3 59 66 A V H X S+ 0 0 0 -4,-2.0 4,-3.7 1,-0.2 -1,-0.2 0.831 107.8 57.6 -69.8 -31.9 13.6 8.8 20.1 60 67 A M H <>S+ 0 0 37 -4,-2.3 5,-3.0 2,-0.2 -1,-0.2 0.665 108.8 46.8 -73.9 -16.9 17.0 8.0 21.6 61 68 A Q H ><5S+ 0 0 121 -4,-0.7 3,-0.9 -3,-0.4 -2,-0.2 0.874 115.3 45.4 -79.4 -47.6 17.0 11.5 23.1 62 69 A Y H 3<5S+ 0 0 93 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.898 117.3 43.0 -63.8 -42.8 13.4 11.1 24.3 63 70 A T T ><5S- 0 0 5 -4,-3.7 3,-1.4 -5,-0.1 -1,-0.3 0.439 112.7-123.3 -81.6 0.3 14.1 7.6 25.8 64 71 A R T < 5S- 0 0 221 -3,-0.9 -3,-0.2 1,-0.3 -4,-0.1 0.928 71.3 -48.0 60.2 49.5 17.4 8.9 27.2 65 72 A G T 3 - 0 0 67 -3,-1.4 4,-1.7 1,-0.2 -1,-0.2 -0.515 30.8-172.9 -70.0 100.9 17.2 3.6 26.6 67 74 A Q H > S+ 0 0 57 -2,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.884 78.7 57.6 -58.8 -42.3 17.1 1.2 23.6 68 75 A T H > S+ 0 0 72 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.931 109.2 40.9 -61.4 -50.8 14.4 -1.0 25.2 69 76 A R H > S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.932 111.2 57.7 -65.0 -45.8 11.7 1.7 25.7 70 77 A A H X S+ 0 0 0 -4,-1.7 4,-3.4 1,-0.2 5,-0.3 0.894 105.1 51.0 -49.6 -47.0 12.4 3.3 22.3 71 78 A A H X>S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 5,-2.0 0.885 112.0 45.8 -61.1 -41.3 11.7 0.0 20.5 72 79 A L H <5S+ 0 0 119 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.785 115.0 49.8 -70.7 -29.6 8.4 -0.4 22.3 73 80 A M H <5S+ 0 0 15 -4,-2.2 69,-1.6 -5,-0.2 68,-0.3 0.947 115.4 40.0 -73.1 -52.7 7.6 3.3 21.5 74 81 A M H <5S- 0 0 2 -4,-3.4 69,-2.3 67,-0.2 70,-0.6 0.828 112.1-123.8 -63.9 -33.2 8.5 3.0 17.8 75 82 A G T <5 + 0 0 46 -4,-2.1 2,-0.3 1,-0.4 -3,-0.2 0.749 70.0 115.8 90.7 29.0 6.8 -0.4 17.7 76 83 A I S > - 0 0 113 -2,-0.3 4,-1.5 1,-0.1 3,-1.3 -0.381 37.0-119.7 -65.2 133.9 11.5 -5.3 18.1 78 85 A R H 3> S+ 0 0 131 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.764 113.1 56.4 -40.5 -39.8 14.4 -4.2 20.3 79 86 A G H 3> S+ 0 0 32 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.900 103.0 53.0 -63.2 -43.9 16.9 -6.1 18.1 80 87 A T H <> S+ 0 0 51 -3,-1.3 4,-2.7 1,-0.2 5,-0.3 0.945 105.0 55.9 -55.7 -49.7 15.8 -4.3 15.0 81 88 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.895 109.6 45.4 -49.4 -46.8 16.5 -1.0 16.7 82 89 A R H X S+ 0 0 129 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.932 111.7 52.5 -63.7 -45.4 20.0 -2.0 17.5 83 90 A K H X S+ 0 0 143 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.848 112.0 45.7 -59.0 -38.1 20.5 -3.3 13.9 84 91 A K H X S+ 0 0 36 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.857 107.4 56.4 -74.3 -39.6 19.3 0.1 12.5 85 92 A L H <>S+ 0 0 9 -4,-2.4 5,-3.0 -5,-0.3 4,-0.3 0.846 109.0 49.6 -58.1 -34.5 21.5 2.1 14.9 86 93 A K H ><5S+ 0 0 117 -4,-1.9 3,-1.2 3,-0.2 -2,-0.2 0.925 100.5 62.8 -69.4 -46.0 24.3 0.0 13.4 87 94 A K H 3<5S+ 0 0 117 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.874 118.0 29.2 -43.5 -44.9 23.2 0.8 9.8 88 95 A Y T 3<5S- 0 0 43 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.399 111.3-122.4-100.8 0.1 23.9 4.5 10.5 89 96 A G T < 5 + 0 0 47 -3,-1.2 2,-0.7 -4,-0.3 -3,-0.2 0.888 58.2 147.9 62.5 43.7 26.6 3.8 13.1 90 97 A M < 0 0 63 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.820 360.0 360.0-109.6 89.2 25.0 5.7 16.0 91 98 A N 0 0 151 -2,-0.7 -5,-0.0 -3,-0.1 -9,-0.0 -0.712 360.0 360.0-171.5 360.0 26.2 3.7 19.0 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 0 214 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.8 35.7 19.1 -10.9 94 2 B F - 0 0 188 3,-0.0 2,-0.1 0, 0.0 3,-0.1 -0.917 360.0-117.5-106.2 138.7 32.2 18.7 -9.4 95 3 B E - 0 0 186 -2,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.444 38.2 -94.4 -76.7 147.9 31.6 20.1 -6.0 96 4 B Q - 0 0 179 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.317 32.1-165.3 -63.3 140.4 30.6 17.6 -3.2 97 5 B R - 0 0 159 -3,-0.1 -1,-0.1 3,-0.0 5,-0.1 -0.820 15.9-149.3-126.5 91.4 26.9 17.1 -2.6 98 6 B V > - 0 0 60 -2,-0.4 3,-1.7 1,-0.1 4,-0.3 -0.108 27.3-107.8 -57.1 158.0 26.5 15.3 0.8 99 7 B N G >> S+ 0 0 110 1,-0.3 3,-0.8 2,-0.2 4,-0.6 0.737 117.7 67.1 -66.3 -23.6 23.5 13.1 1.2 100 8 B S G 34 S+ 0 0 35 1,-0.2 19,-0.5 2,-0.1 20,-0.3 0.837 104.1 45.6 -55.9 -36.5 22.0 15.6 3.6 101 9 B D G <4 S+ 0 0 72 -3,-1.7 -1,-0.2 1,-0.2 3,-0.2 0.309 89.1 83.2 -98.5 5.1 21.6 18.0 0.6 102 10 B V T <4 S+ 0 0 30 -3,-0.8 2,-0.6 1,-0.3 -1,-0.2 0.923 101.8 32.8 -73.0 -46.9 20.2 15.6 -2.0 103 11 B L S < S+ 0 0 1 -4,-0.6 16,-2.1 -3,-0.2 2,-0.3 -0.946 87.0 160.8-110.4 109.7 16.6 16.0 -0.8 104 12 B T E -B 118 0B 7 -2,-0.6 2,-0.3 -77,-0.4 -74,-0.2 -0.960 27.6-148.9-135.6 153.9 16.2 19.5 0.5 105 13 B V E -B 117 0B 5 12,-2.6 12,-1.1 -2,-0.3 2,-0.1 -0.914 30.2-103.1-124.5 141.5 13.3 21.9 1.3 106 14 B S E +B 116 0B 56 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.408 44.2 171.5 -68.4 136.6 13.2 25.7 1.1 107 15 B T E -B 115 0B 41 8,-3.0 8,-2.7 -2,-0.1 2,-0.4 -0.870 26.4-127.5-135.2 170.6 13.4 27.6 4.3 108 16 B V E -B 114 0B 67 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.985 18.0-153.3-124.2 133.4 13.8 31.3 5.4 109 17 B N E >> -B 113 0B 62 4,-1.6 3,-1.8 -2,-0.4 4,-0.6 -0.499 45.0 -81.8 -97.7 173.5 16.5 32.6 7.8 110 18 B S T 34 S+ 0 0 119 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.543 126.9 61.9 -53.8 -7.9 16.3 35.7 10.0 111 19 B Q T 34 S- 0 0 116 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 -0.047 114.0-111.9-110.8 27.7 17.3 37.8 7.0 112 20 B D T <4 S+ 0 0 123 -3,-1.8 2,-0.5 1,-0.2 -2,-0.1 0.872 72.8 145.5 47.7 39.8 14.3 36.9 4.9 113 21 B Q E < -B 109 0B 123 -4,-0.6 -4,-1.6 2,-0.0 -1,-0.2 -0.962 48.8-130.7-115.8 118.4 16.8 35.1 2.7 114 22 B V E +B 108 0B 109 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.479 37.2 163.7 -75.6 139.3 15.5 31.9 1.1 115 23 B T E -B 107 0B 57 -8,-2.7 -8,-3.0 -2,-0.2 2,-0.1 -0.995 35.1-112.9-158.8 141.8 17.7 28.9 1.5 116 24 B Q E -B 106 0B 81 -2,-0.3 -10,-0.2 -10,-0.2 -15,-0.0 -0.394 30.7-178.3 -73.4 155.0 17.6 25.1 1.2 117 25 B K E -B 105 0B 51 -12,-1.1 -12,-2.6 -2,-0.1 5,-0.1 -0.969 36.4 -83.0-149.9 150.4 18.0 22.8 4.2 118 26 B P E > -B 104 0B 22 0, 0.0 4,-0.6 0, 0.0 3,-0.4 -0.046 26.6-130.7 -47.4 147.2 18.0 19.0 4.5 119 27 B L H >> S+ 0 0 1 -16,-2.1 4,-2.0 -19,-0.5 3,-1.1 0.854 105.8 74.1 -64.0 -36.2 14.8 17.1 4.6 120 28 B R H 3> S+ 0 0 50 -17,-0.3 4,-2.6 -20,-0.3 -1,-0.2 0.872 91.8 53.5 -36.5 -51.2 16.3 15.4 7.7 121 29 B D H 3> S+ 0 0 59 -3,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.799 104.2 53.9 -67.6 -31.2 15.7 18.6 9.6 122 30 B S H < S+ 0 0 24 -4,-3.0 3,-0.7 2,-0.2 -1,-0.2 0.873 101.7 61.3 -70.7 -39.2 6.8 15.1 21.5 132 40 B A H 3< S+ 0 0 65 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.930 104.9 49.7 -48.3 -49.3 5.8 18.5 22.8 133 41 B Q H 3< S+ 0 0 124 -4,-1.6 2,-1.4 -130,-0.1 -1,-0.2 0.690 84.8 97.7 -68.1 -23.3 2.1 17.5 22.3 134 42 B L << - 0 0 13 -4,-0.7 2,-0.3 -3,-0.7 -1,-0.1 -0.577 55.0-177.7 -65.1 94.6 2.7 14.2 24.2 135 43 B N S S- 0 0 141 -2,-1.4 -1,-0.1 1,-0.1 -3,-0.1 -0.660 70.5 -73.2-125.3 74.7 1.4 15.3 27.6 136 44 B G S S+ 0 0 59 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.1 -0.700 91.5 129.0-145.9 54.7 2.3 12.7 28.1 137 45 B Q - 0 0 119 1,-0.1 -1,-0.2 0, 0.0 2,-0.0 -0.162 56.3 -91.0 -75.0 165.5 0.8 9.3 27.2 138 46 B D - 0 0 137 2,-0.0 2,-0.3 1,-0.0 -1,-0.1 -0.211 29.0-149.6 -76.8 162.9 2.6 6.4 25.6 139 47 B V + 0 0 12 1,-0.0 -64,-0.1 -5,-0.0 -1,-0.0 -0.932 18.1 175.5-126.5 151.1 3.0 5.5 21.9 140 48 B N S S+ 0 0 115 -2,-0.3 -66,-0.1 -66,-0.1 -67,-0.1 0.168 78.6 48.4-136.7 18.7 3.3 2.1 20.3 141 49 B D > + 0 0 64 -68,-0.3 4,-2.8 2,-0.1 -67,-0.2 0.167 59.1 128.2-147.9 15.9 3.3 3.0 16.6 142 50 B L H > S+ 0 0 0 -69,-1.6 4,-2.1 1,-0.2 -68,-0.2 0.785 79.1 48.2 -61.5 -30.5 5.8 5.8 16.0 143 51 B Y H > S+ 0 0 32 -69,-2.3 4,-3.6 2,-0.2 5,-0.3 0.989 115.2 41.1 -70.0 -61.0 7.6 4.0 13.2 144 52 B E H > S+ 0 0 83 -70,-0.6 4,-1.8 1,-0.2 -2,-0.2 0.807 114.9 56.1 -59.8 -29.8 4.6 3.0 11.2 145 53 B L H X S+ 0 0 41 -4,-2.8 4,-1.2 -71,-0.2 -1,-0.2 0.959 115.0 36.1 -60.0 -54.9 3.2 6.4 11.9 146 54 B V H >X S+ 0 0 4 -4,-2.1 4,-1.7 -5,-0.2 3,-0.8 0.962 114.8 55.0 -64.7 -55.3 6.3 8.1 10.4 147 55 B L H 3X S+ 0 0 26 -4,-3.6 4,-3.3 1,-0.3 3,-0.3 0.871 107.2 51.6 -44.6 -46.8 6.8 5.6 7.6 148 56 B A H 3X S+ 0 0 23 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.3 0.844 107.5 52.0 -63.8 -35.8 3.2 6.2 6.5 149 57 B E H << S+ 0 0 18 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.809 118.5 37.6 -69.4 -29.7 3.7 9.9 6.4 150 58 B V H X S+ 0 0 9 -4,-1.7 4,-1.4 -3,-0.3 -2,-0.2 0.840 111.7 55.4 -92.1 -38.2 6.8 9.5 4.2 151 59 B E H X S+ 0 0 4 -4,-3.3 4,-2.6 -5,-0.2 5,-0.3 0.904 99.9 61.4 -62.9 -43.5 5.8 6.6 2.0 152 60 B Q H X S+ 0 0 70 -4,-1.4 4,-3.1 -5,-0.2 -1,-0.2 0.925 108.2 39.5 -51.8 -56.8 2.6 8.3 0.7 153 61 B P H > S+ 0 0 5 0, 0.0 4,-3.4 0, 0.0 -1,-0.2 0.838 113.5 55.8 -64.8 -35.2 4.3 11.3 -1.0 154 62 B L H X S+ 0 0 3 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.953 114.3 39.1 -59.3 -52.0 7.2 9.2 -2.3 155 63 B L H X S+ 0 0 1 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.975 115.8 53.2 -60.4 -54.6 4.8 6.9 -4.1 156 64 B D H X S+ 0 0 51 -4,-3.1 4,-1.5 -5,-0.3 -2,-0.2 0.916 115.7 40.2 -43.1 -53.4 2.6 9.8 -5.1 157 65 B M H X S+ 0 0 5 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.925 114.5 49.9 -69.5 -47.0 5.5 11.6 -6.6 158 66 B V H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.891 110.1 51.2 -59.8 -42.1 7.2 8.5 -8.2 159 67 B M H <>S+ 0 0 28 -4,-3.0 5,-3.1 -5,-0.2 6,-0.3 0.854 109.1 51.0 -65.8 -36.4 4.0 7.4 -9.9 160 68 B Q H ><5S+ 0 0 103 -4,-1.5 3,-1.1 -5,-0.3 -1,-0.2 0.913 112.0 48.5 -61.9 -43.5 3.5 10.9 -11.3 161 69 B Y H 3<5S+ 0 0 79 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.944 113.1 44.6 -63.1 -50.2 7.0 10.8 -12.7 162 70 B T T ><5S- 0 0 1 -4,-2.9 3,-2.6 -5,-0.1 -1,-0.3 0.278 111.5-123.7 -78.2 13.6 6.7 7.3 -14.3 163 71 B R T < 5S- 0 0 197 -3,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.864 76.4 -44.3 40.9 47.0 3.3 8.6 -15.6 164 72 B G T 3 - 0 0 65 -3,-2.6 4,-1.8 -6,-0.3 -1,-0.2 -0.531 27.9-172.6 -72.6 111.1 4.2 3.0 -14.9 166 74 B Q H > S+ 0 0 43 -2,-0.6 4,-2.3 2,-0.2 5,-0.2 0.858 81.3 56.4 -70.1 -38.8 4.5 0.5 -12.0 167 75 B T H > S+ 0 0 79 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.910 112.4 42.0 -63.7 -42.0 7.4 -1.5 -13.5 168 76 B R H > S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 112.0 53.8 -68.7 -47.1 9.5 1.7 -13.8 169 77 B A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 6,-0.2 0.909 110.0 46.8 -55.6 -47.3 8.5 3.1 -10.4 170 78 B A H X>S+ 0 0 4 -4,-2.3 5,-1.5 1,-0.2 4,-0.8 0.804 112.2 51.6 -65.0 -30.4 9.6 -0.1 -8.6 171 79 B L H <5S+ 0 0 119 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.811 109.8 50.1 -75.4 -32.1 12.8 -0.1 -10.6 172 80 B M H <5S+ 0 0 17 -4,-2.2 -129,-2.2 1,-0.2 -2,-0.2 0.903 114.7 42.2 -68.0 -45.5 13.5 3.6 -9.5 173 81 B M H <5S- 0 0 3 -4,-2.2 -129,-1.3 -131,-0.2 -128,-0.6 0.623 107.8-123.8 -80.2 -13.4 12.9 2.9 -5.8 174 82 B G T <5S+ 0 0 45 -4,-0.8 2,-0.3 1,-0.3 -3,-0.2 0.756 72.5 121.0 71.7 24.6 14.8 -0.4 -5.9 175 83 B I S > - 0 0 122 -2,-0.3 4,-2.0 1,-0.1 3,-0.8 -0.392 31.4-118.4 -64.4 141.3 10.2 -5.2 -6.3 177 85 B R H 3> S+ 0 0 123 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.744 113.8 58.8 -48.2 -29.8 7.1 -4.4 -8.5 178 86 B G H 3> S+ 0 0 36 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 106.4 43.6 -69.4 -45.1 5.1 -6.7 -6.2 179 87 B T H <> S+ 0 0 64 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.799 111.9 55.1 -73.5 -28.9 5.9 -4.8 -3.0 180 88 B L H X S+ 0 0 1 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.970 108.1 48.4 -61.3 -55.8 5.3 -1.5 -4.8 181 89 B R H X S+ 0 0 132 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.889 111.1 52.1 -47.8 -44.4 1.8 -2.7 -5.8 182 90 B K H X S+ 0 0 157 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.916 109.8 47.0 -62.6 -48.0 1.3 -3.7 -2.2 183 91 B K H X S+ 0 0 44 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.915 108.0 56.7 -58.1 -45.6 2.2 -0.3 -0.8 184 92 B L H <>S+ 0 0 3 -4,-2.9 5,-3.1 1,-0.2 -1,-0.2 0.865 107.3 48.9 -57.8 -38.1 0.0 1.4 -3.3 185 93 B K H ><5S+ 0 0 163 -4,-1.8 3,-3.2 3,-0.2 -2,-0.2 0.979 104.0 59.9 -60.4 -56.6 -2.9 -0.7 -2.1 186 94 B K H 3<5S+ 0 0 111 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.765 114.2 36.7 -38.9 -37.6 -2.1 0.2 1.6 187 95 B Y T 3<5S- 0 0 32 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.198 113.1-113.0-108.7 15.0 -2.6 3.9 0.6 188 96 B G T < 5 + 0 0 64 -3,-3.2 2,-0.4 1,-0.2 -3,-0.2 0.926 65.8 146.3 52.9 51.0 -5.5 3.5 -1.8 189 97 B M < 0 0 53 -5,-3.1 -1,-0.2 -6,-0.1 -3,-0.1 -0.649 360.0 360.0-118.4 72.5 -3.4 4.6 -4.8 190 98 B N 0 0 156 -2,-0.4 -5,-0.1 -5,-0.1 -1,-0.0 -0.068 360.0 360.0-174.8 360.0 -4.8 2.6 -7.7