==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 21-JUN-09 3HXP . COMPND 2 MOLECULE: IRON(3+)-HYDROXAMATE-BINDING PROTEIN FHUD; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR F.FOROUHAR,H.NEELY,J.SEETHARAMAN,F.FANG,R.XIAO,K.CUNNINGHAM, . 272 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 19 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.3 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 5 1 0 2 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 2 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 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 45 A Y 0 0 28 0, 0.0 7,-0.6 0, 0.0 113,-0.0 0.000 360.0 360.0 360.0-154.6 43.8 51.3 11.0 2 46 A K + 0 0 103 5,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.297 360.0 160.8 -69.9 156.2 42.1 47.9 11.5 3 47 A A > - 0 0 25 1,-0.1 3,-0.8 92,-0.0 94,-0.1 -0.983 55.9-105.3-171.6 162.7 41.1 46.8 15.0 4 48 A E T 3 S+ 0 0 96 92,-1.0 93,-0.1 -2,-0.3 3,-0.1 0.655 119.7 54.3 -68.9 -14.8 39.0 44.6 17.1 5 49 A N T 3 S- 0 0 27 1,-0.4 -1,-0.3 91,-0.4 89,-0.1 -0.373 128.8 -73.1-117.5 54.7 36.9 47.7 17.8 6 50 A G < - 0 0 46 -3,-0.8 2,-1.1 1,-0.1 -1,-0.4 0.432 67.7 -66.6 67.8 144.9 36.1 48.8 14.3 7 51 A N + 0 0 131 -3,-0.1 2,-0.8 1,-0.1 -5,-0.2 -0.507 57.6 176.9 -66.7 94.9 38.6 50.4 12.0 8 52 A V - 0 0 37 -2,-1.1 -1,-0.1 -7,-0.6 -6,-0.1 -0.723 33.4-124.3-107.0 82.9 39.3 53.7 13.7 9 53 A K - 0 0 131 -2,-0.8 -7,-0.0 1,-0.1 -2,-0.0 0.190 26.5-148.8 -27.8 122.8 42.0 55.4 11.6 10 54 A I - 0 0 8 104,-0.1 2,-0.9 64,-0.0 -1,-0.1 -0.780 19.7-106.5-104.4 147.2 45.0 56.2 13.6 11 55 A P - 0 0 51 0, 0.0 62,-0.0 0, 0.0 -2,-0.0 -0.587 37.5-128.9 -74.4 102.3 47.4 59.1 13.1 12 56 A K S S+ 0 0 91 -2,-0.9 104,-0.1 1,-0.2 103,-0.1 -0.205 90.7 19.0 -52.9 133.2 50.7 57.7 11.7 13 57 A H S S- 0 0 131 102,-0.2 -1,-0.2 2,-0.0 102,-0.1 0.978 90.2-164.7 70.2 57.3 53.7 58.9 13.6 14 58 A P - 0 0 13 0, 0.0 20,-0.2 0, 0.0 3,-0.1 0.036 19.7-164.4 -63.7-177.0 51.8 60.0 16.7 15 59 A K S S+ 0 0 163 18,-0.1 2,-0.1 19,-0.1 -2,-0.0 0.312 75.3 42.5-149.7 -1.5 53.3 62.2 19.4 16 60 A R + 0 0 97 2,-0.0 57,-3.1 20,-0.0 58,-1.1 -0.560 66.5 169.0-155.5 85.7 51.0 61.8 22.5 17 61 A V E -ab 35 74A 0 17,-2.2 19,-3.4 55,-0.2 20,-0.8 -0.759 25.1-150.2-104.0 143.9 49.7 58.3 23.4 18 62 A V E -ab 37 75A 5 56,-2.4 2,-1.4 -2,-0.3 58,-1.0 -0.897 11.8-155.5-113.5 99.0 47.9 57.2 26.5 19 63 A V E + b 0 76A 0 18,-0.9 58,-0.2 -2,-0.7 6,-0.1 -0.638 18.5 173.9 -77.6 94.9 48.8 53.5 27.1 20 64 A X + 0 0 13 56,-2.0 2,-0.9 -2,-1.4 57,-0.2 0.771 64.7 75.3 -71.8 -29.4 45.7 52.5 29.1 21 65 A A S > S- 0 0 0 55,-1.0 3,-1.0 1,-0.2 4,-0.2 -0.783 72.3-159.5 -87.3 104.7 47.0 48.9 29.0 22 66 A D G > S+ 0 0 15 -2,-0.9 3,-3.2 1,-0.2 4,-0.4 0.950 86.4 61.6 -45.9 -61.8 49.8 48.8 31.5 23 67 A G G 3 S+ 0 0 6 1,-0.3 230,-0.4 2,-0.1 3,-0.4 0.716 102.0 51.8 -35.1 -41.6 51.3 45.7 30.1 24 68 A Y G <> S+ 0 0 13 -3,-1.0 4,-1.0 1,-0.2 3,-0.3 0.324 81.7 93.2 -84.9 4.4 52.0 47.4 26.7 25 69 A Y H X> S+ 0 0 1 -3,-3.2 4,-2.2 -4,-0.2 3,-1.1 0.953 81.8 53.3 -63.8 -49.2 53.8 50.4 28.0 26 70 A G H 3> S+ 0 0 0 -3,-0.4 4,-1.2 -4,-0.4 230,-0.4 0.759 102.2 62.7 -56.5 -23.7 57.3 49.0 27.7 27 71 A Y H 3> S+ 0 0 5 -3,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.862 108.4 39.3 -69.6 -36.2 56.4 48.3 24.0 28 72 A F H S+ 0 0 0 -3,-1.1 4,-2.6 -4,-1.0 5,-0.7 0.843 111.3 56.0 -79.9 -38.5 56.0 52.0 23.2 29 73 A K H <5S+ 0 0 97 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.811 113.7 43.9 -63.0 -30.1 58.9 53.1 25.3 30 74 A T H <5S+ 0 0 25 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.934 112.4 49.5 -79.9 -50.2 61.0 50.7 23.2 31 75 A L H <5S- 0 0 1 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.885 115.1-111.6 -57.3 -41.8 59.6 51.6 19.8 32 76 A G T <5 + 0 0 53 -4,-2.6 -3,-0.2 1,-0.3 -4,-0.1 0.243 66.1 144.1 127.1 -12.0 60.0 55.3 20.4 33 77 A I < - 0 0 16 -5,-0.7 2,-0.7 -6,-0.2 -1,-0.3 -0.376 54.1-120.8 -59.6 130.2 56.4 56.4 20.7 34 78 A N - 0 0 62 -20,-0.2 -17,-2.2 -2,-0.1 2,-0.2 -0.681 27.9-156.1 -81.6 113.6 56.0 59.2 23.2 35 79 A V E -a 17 0A 4 -2,-0.7 -17,-0.2 -19,-0.2 20,-0.2 -0.527 13.9-172.0 -82.5 151.2 53.6 58.1 26.0 36 80 A V E + 0 0 3 -19,-3.4 21,-1.6 1,-0.4 2,-0.3 0.490 67.4 9.5-123.6 -8.2 51.8 60.7 28.0 37 81 A G E +ac 18 57A 4 -20,-0.8 -18,-0.9 19,-0.3 -1,-0.4 -0.879 54.7 177.3-171.3 136.6 50.1 58.5 30.6 38 82 A A - 0 0 2 19,-2.6 -18,-0.2 -2,-0.3 5,-0.1 -0.990 34.3 -96.4-142.1 152.9 50.1 55.0 32.0 39 83 A P > - 0 0 2 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.031 49.2 -82.3 -61.6 171.9 48.3 53.3 34.9 40 84 A E T >> S+ 0 0 88 1,-0.2 3,-3.1 2,-0.2 4,-0.6 0.893 119.1 54.0 -34.6 -83.9 49.5 52.6 38.4 41 85 A N H >> S+ 0 0 54 1,-0.3 3,-1.6 2,-0.2 4,-1.2 0.700 93.5 73.6 -28.4 -42.5 51.6 49.4 38.0 42 86 A V H <4 S+ 0 0 0 -3,-0.8 7,-0.8 1,-0.3 3,-0.3 0.835 102.2 41.5 -46.5 -38.8 53.7 51.0 35.3 43 87 A F H <4 S+ 0 0 42 -3,-3.1 -1,-0.3 -4,-0.5 -2,-0.2 0.625 112.6 56.6 -85.6 -14.3 55.4 53.1 37.9 44 88 A K H << S+ 0 0 117 -3,-1.6 -2,-0.2 -4,-0.6 -1,-0.2 0.490 81.0 101.4 -95.0 -5.8 55.6 50.1 40.3 45 89 A N X> - 0 0 0 -4,-1.2 5,-0.9 -3,-0.3 4,-0.8 -0.654 67.0-146.9 -78.5 130.9 57.5 47.9 37.8 46 90 A P H >5S+ 0 0 49 0, 0.0 4,-0.9 0, 0.0 5,-0.2 0.961 99.4 54.1 -63.3 -46.5 61.2 47.8 38.8 47 91 A Y H 45S+ 0 0 49 3,-0.2 4,-0.1 2,-0.1 202,-0.1 0.707 118.7 37.0 -57.8 -23.5 62.3 47.5 35.1 48 92 A Y H >>5S+ 0 0 1 -3,-0.5 3,-3.6 2,-0.1 4,-1.6 0.835 125.0 27.5 -92.6 -89.7 60.2 50.6 34.4 49 93 A K H ><5S+ 0 0 111 -7,-0.8 3,-0.5 -4,-0.8 -2,-0.1 0.889 108.1 78.8 -38.9 -47.6 60.2 53.3 37.0 50 94 A G T 3<> - 0 0 34 1,-0.2 4,-0.8 2,-0.1 3,-0.6 -0.149 51.9-170.3 -42.5 93.0 38.9 58.4 35.5 64 108 A V T 34 S+ 0 0 50 -2,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.591 81.8 62.5 -65.5 -11.1 37.9 59.2 31.9 65 109 A E T >> S+ 0 0 131 2,-0.2 4,-1.7 1,-0.1 3,-0.6 0.852 94.9 54.6 -82.5 -40.8 38.5 62.8 32.8 66 110 A K H <> S+ 0 0 82 -3,-0.6 4,-0.6 1,-0.2 -2,-0.2 0.751 102.2 62.0 -65.3 -25.5 42.3 62.6 33.6 67 111 A V H 3< S+ 0 0 12 -4,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.821 104.4 45.3 -70.2 -34.4 42.7 61.0 30.1 68 112 A I H X4 S+ 0 0 71 -3,-0.6 3,-4.6 -4,-0.5 -2,-0.2 0.956 102.2 63.2 -74.5 -52.7 41.5 64.1 28.3 69 113 A D H 3< S+ 0 0 131 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.711 97.1 60.2 -44.2 -26.2 43.5 66.6 30.3 70 114 A L T 3< S- 0 0 30 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.458 102.1-141.3 -83.3 -2.0 46.6 65.0 29.0 71 115 A N < - 0 0 126 -3,-4.6 -3,-0.1 1,-0.1 -2,-0.1 0.879 30.0-175.1 41.1 61.2 45.4 65.9 25.5 72 116 A P - 0 0 13 0, 0.0 -55,-0.2 0, 0.0 3,-0.1 -0.108 30.1-152.8 -74.5 177.5 46.4 62.7 23.8 73 117 A D S S+ 0 0 46 -57,-3.1 2,-0.3 1,-0.3 -56,-0.2 0.265 84.1 36.2-130.5 -1.1 46.2 62.0 20.0 74 118 A L E -b 17 0A 2 -58,-1.1 -56,-2.4 18,-0.1 2,-0.6 -0.922 60.4-163.9-159.6 127.2 45.9 58.2 20.5 75 119 A I E -bd 18 94A 0 18,-2.4 20,-1.6 -2,-0.3 2,-0.7 -0.900 11.9-177.5-115.7 99.4 44.2 56.1 23.1 76 120 A I E +bd 19 95A 0 -58,-1.0 -56,-2.0 -2,-0.6 -55,-1.0 -0.875 16.7 158.4-103.5 114.5 45.5 52.5 23.0 77 121 A V E - d 0 96A 0 18,-1.3 20,-1.9 -2,-0.7 -58,-0.0 -0.937 43.7 -93.8-135.1 157.6 43.7 50.2 25.6 78 122 A W E > - d 0 97A 24 -2,-0.3 3,-1.0 18,-0.2 4,-0.3 -0.303 32.5-124.7 -65.1 151.7 42.9 46.5 26.2 79 123 A T T 3 S+ 0 0 39 18,-2.1 3,-0.3 1,-0.3 6,-0.2 0.905 113.8 31.6 -64.7 -39.6 39.6 45.2 24.9 80 124 A T T 3 S+ 0 0 110 17,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.055 83.3 121.2-106.7 25.5 38.7 43.9 28.3 81 125 A Q S < S- 0 0 53 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.1 0.902 79.6-117.0 -52.6 -49.7 40.5 46.6 30.2 82 126 A G S S+ 0 0 72 1,-0.5 2,-0.2 -4,-0.3 -1,-0.1 0.071 77.9 109.6 132.1 -27.1 37.3 47.8 31.9 83 127 A A S S- 0 0 19 -5,-0.2 -1,-0.5 -22,-0.1 2,-0.4 -0.543 84.7 -91.9 -80.8 147.6 36.9 51.3 30.7 84 128 A D > - 0 0 81 -2,-0.2 4,-1.7 1,-0.2 5,-0.2 -0.444 31.6-153.3 -62.8 116.4 34.0 52.0 28.3 85 129 A I T 4 S+ 0 0 38 -2,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.720 92.3 54.0 -62.7 -25.4 35.6 51.6 24.8 86 130 A K T >4 S+ 0 0 163 2,-0.2 3,-0.6 1,-0.1 4,-0.5 0.929 105.9 50.2 -75.6 -47.9 32.9 54.0 23.4 87 131 A K G >4 S+ 0 0 124 1,-0.2 3,-2.0 2,-0.2 -2,-0.2 0.900 106.4 53.2 -57.4 -48.0 33.6 56.9 25.8 88 132 A L G >X S+ 0 0 3 -4,-1.7 3,-1.3 1,-0.3 4,-1.3 0.774 98.2 66.9 -60.2 -25.7 37.4 57.0 25.3 89 133 A E G <4 S+ 0 0 93 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.757 88.3 69.0 -64.5 -23.7 36.6 57.2 21.6 90 134 A K G <4 S+ 0 0 185 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 0.123 104.3 41.2 -80.4 19.2 35.2 60.6 22.5 91 135 A I T <4 S- 0 0 46 -3,-1.3 -2,-0.2 1,-0.4 -1,-0.2 0.570 127.9 -26.5-132.3 -42.4 38.8 61.8 23.2 92 136 A A S < S- 0 0 9 -4,-1.3 -1,-0.4 -17,-0.1 -18,-0.1 -0.938 90.1 -54.7-172.4 154.4 41.0 60.4 20.5 93 137 A P - 0 0 42 0, 0.0 -18,-2.4 0, 0.0 2,-0.6 -0.107 59.3-153.1 -41.1 116.2 41.2 57.5 18.1 94 138 A T E -d 75 0A 0 -20,-0.2 2,-0.7 -9,-0.1 -18,-0.2 -0.897 10.3-166.1-105.8 115.0 40.8 54.6 20.5 95 139 A V E -d 76 0A 1 -20,-1.6 -18,-1.3 -2,-0.6 2,-0.4 -0.891 8.8-153.2-103.1 110.1 42.4 51.2 19.4 96 140 A A E -d 77 0A 7 -2,-0.7 -92,-1.0 -90,-0.2 2,-0.5 -0.664 7.7-158.3 -85.2 133.6 41.2 48.2 21.4 97 141 A V E -d 78 0A 11 -20,-1.9 -18,-2.1 -2,-0.4 -17,-0.3 -0.957 16.4-125.7-120.1 123.1 43.6 45.3 21.6 98 142 A K >> - 0 0 80 -2,-0.5 3,-1.1 -20,-0.2 4,-0.5 -0.440 32.6-112.7 -65.2 129.6 42.6 41.8 22.4 99 143 A Y T 34 S- 0 0 121 1,-0.3 -1,-0.1 -2,-0.2 -21,-0.0 -0.330 92.7 -7.9 -62.5 142.3 44.5 40.3 25.3 100 144 A D T 34 S+ 0 0 111 1,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.540 95.9 123.5 44.3 11.2 46.8 37.4 24.3 101 145 A K T <4 S+ 0 0 103 -3,-1.1 -1,-0.2 2,-0.0 -2,-0.1 0.984 77.1 34.4 -58.8 -56.0 45.2 37.5 20.8 102 146 A L S < S- 0 0 48 -4,-0.5 3,-0.0 1,-0.2 0, 0.0 -0.120 100.6 -95.3 -85.4-172.4 48.7 37.9 19.4 103 147 A D - 0 0 76 1,-0.1 -1,-0.2 -2,-0.0 -3,-0.1 0.153 33.2-108.1 -84.3-153.6 52.0 36.5 20.7 104 148 A N S S+ 0 0 25 3,-0.1 4,-0.3 2,-0.1 -1,-0.1 0.745 115.5 31.0-108.9 -45.9 54.4 38.2 23.0 105 149 A I S >> S+ 0 0 21 2,-0.2 3,-1.1 1,-0.1 4,-0.8 0.880 123.0 49.5 -80.8 -44.8 57.3 38.9 20.6 106 150 A E H >> S+ 0 0 98 1,-0.3 4,-1.9 2,-0.2 3,-0.7 0.847 98.7 69.5 -64.5 -32.5 54.9 39.3 17.6 107 151 A Q H 3> S+ 0 0 4 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.791 98.2 49.9 -55.9 -29.8 52.8 41.6 19.7 108 152 A L H <4 S+ 0 0 1 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.781 105.2 57.2 -79.3 -28.0 55.6 44.2 19.5 109 153 A K H XX S+ 0 0 98 -4,-0.8 4,-1.7 -3,-0.7 3,-0.9 0.877 106.1 50.3 -69.1 -36.2 55.8 43.8 15.7 110 154 A E H >X S+ 0 0 42 -4,-1.9 4,-3.0 1,-0.3 3,-0.7 0.978 106.0 54.0 -64.4 -54.4 52.2 44.7 15.4 111 155 A F H 3< S+ 0 0 0 -4,-1.7 -1,-0.3 1,-0.3 5,-0.2 0.506 108.4 53.5 -59.0 -1.1 52.7 47.8 17.6 112 156 A A H <>>S+ 0 0 2 -3,-0.9 5,-1.2 3,-0.1 4,-0.7 0.787 110.6 42.4 -98.8 -40.0 55.4 48.6 15.0 113 157 A K H <<5S+ 0 0 116 -4,-1.7 -2,-0.2 -3,-0.7 -3,-0.1 0.921 110.8 57.0 -70.0 -45.8 53.1 48.3 11.9 114 158 A X T <5S+ 0 0 1 -4,-3.0 -1,-0.2 -5,-0.1 -3,-0.2 0.846 120.9 28.6 -54.3 -37.3 50.3 50.1 13.7 115 159 A T T 45S- 0 0 4 -5,-0.3 -102,-0.2 -4,-0.2 -2,-0.2 0.863 105.3-108.2 -88.5 -88.9 52.6 53.1 14.2 116 160 A G T <5S+ 0 0 18 -4,-0.7 2,-0.2 -5,-0.2 -3,-0.2 0.362 81.1 102.9 159.5 29.8 55.3 53.4 11.6 117 161 A T >< + 0 0 33 -5,-1.2 4,-0.7 -6,-0.1 3,-0.1 -0.625 22.8 142.6-131.8 73.3 58.6 52.5 13.1 118 162 A E H > S+ 0 0 93 -2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.774 71.9 63.6 -80.8 -27.5 59.5 49.0 12.0 119 163 A D H 4 S+ 0 0 106 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.738 105.1 44.7 -68.1 -24.1 63.2 50.0 11.7 120 164 A K H > S+ 0 0 113 2,-0.1 4,-0.6 -3,-0.1 -1,-0.2 0.704 115.6 49.9 -88.7 -25.0 63.4 50.6 15.4 121 165 A A H >X S+ 0 0 4 -4,-0.7 4,-1.8 2,-0.2 3,-1.2 0.931 108.8 47.6 -77.2 -53.0 61.5 47.4 16.1 122 166 A E H 3X S+ 0 0 129 -4,-3.1 4,-0.9 1,-0.3 -1,-0.2 0.780 105.5 64.1 -60.7 -24.7 63.6 45.1 13.9 123 167 A K H 3> S+ 0 0 118 -4,-0.4 4,-1.2 -5,-0.3 -1,-0.3 0.838 104.9 44.5 -67.7 -32.8 66.6 46.7 15.7 124 168 A W H X S+ 0 0 66 -4,-1.6 4,-2.1 1,-0.2 3,-1.1 0.967 120.1 43.5 -46.3 -67.9 74.6 34.0 24.8 135 179 A A H 3X S+ 0 0 7 -4,-2.9 4,-3.1 1,-0.3 5,-0.3 0.901 107.5 57.5 -45.5 -59.0 72.2 33.1 27.6 136 180 A K H 3X S+ 0 0 89 -4,-3.9 4,-1.7 39,-0.2 -1,-0.3 0.816 117.0 37.6 -43.8 -37.5 71.0 29.8 26.0 137 181 A T H X S+ 0 0 1 -4,-3.1 3,-2.8 -5,-0.3 4,-1.4 0.983 111.3 46.4 -68.8 -61.8 72.8 28.4 30.9 140 184 A K H 3X S+ 0 0 63 -4,-1.7 4,-1.2 -5,-0.3 -2,-0.2 0.759 113.4 53.0 -52.6 -28.2 73.0 25.0 29.3 141 185 A K H 3< S+ 0 0 164 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.450 116.8 38.3 -87.4 -4.4 76.7 24.9 30.2 142 186 A A H <4 S+ 0 0 50 -3,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.406 131.0 25.3-123.9 -5.1 75.9 25.7 33.8 143 187 A V H >< S- 0 0 13 -4,-1.4 3,-1.9 1,-0.2 2,-0.3 0.387 81.7-161.3-138.0 -4.0 72.7 23.6 34.3 144 188 A G T 3< - 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