==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 01-NOV-07 3B8M . COMPND 2 MOLECULE: FERRIC ENTEROBACTIN (ENTEROCHELIN) TRANSPORT; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.TOCILJ,A.MATTE,M.CYGLER . 765 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 571 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 . 57 7.5 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 . 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 . 39 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 391 51.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 0 0 1 3 2 0 6 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 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 3 0 3 0 3 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 3 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 64 A K 0 0 182 0, 0.0 2,-0.4 0, 0.0 112,-0.1 0.000 360.0 360.0 360.0 -43.4 23.9 42.0 67.7 2 65 A W E -A 110 0A 116 108,-1.7 108,-2.9 110,-0.2 2,-0.6 -0.898 360.0-167.2-134.2 109.6 23.5 40.1 64.3 3 66 A T E -A 109 0A 71 -2,-0.4 2,-0.4 106,-0.3 106,-0.3 -0.827 6.2-157.2 -96.2 121.6 26.3 40.2 61.8 4 67 A S E -A 108 0A 0 104,-3.9 104,-2.1 -2,-0.6 2,-0.3 -0.779 17.6-159.2 -91.6 143.2 25.6 38.9 58.3 5 68 A A E -A 107 0A 25 -2,-0.4 250,-2.8 102,-0.2 2,-0.3 -0.912 18.8-179.1-128.9 151.1 28.5 37.8 56.2 6 69 A A E -A 106 0A 0 100,-2.8 100,-3.1 -2,-0.3 2,-0.5 -0.989 13.1-153.1-140.8 148.8 29.6 37.2 52.7 7 70 A V E -AB 105 252A 29 245,-2.6 244,-3.5 -2,-0.3 245,-1.7 -0.986 18.9-172.3-124.1 122.6 32.9 35.9 51.2 8 71 A V E -AB 104 250A 0 96,-2.5 96,-2.8 -2,-0.5 242,-0.2 -0.901 9.2-176.8-120.8 142.5 33.8 37.0 47.6 9 72 A T E - B 0 249A 1 240,-2.9 240,-3.3 -2,-0.4 94,-0.1 -0.932 46.6 -73.2-127.1 158.5 36.5 36.0 45.1 10 73 A P - 0 0 20 0, 0.0 238,-0.2 0, 0.0 28,-0.1 -0.108 65.3 -95.3 -45.2 146.1 37.4 37.3 41.6 11 74 A P - 0 0 3 0, 0.0 238,-0.1 0, 0.0 30,-0.1 -0.175 39.6-117.3 -68.2 161.5 34.8 36.1 39.0 12 75 A E > - 0 0 10 236,-0.1 3,-2.6 -3,-0.1 4,-0.3 -0.676 22.3-105.6-108.7 156.9 35.4 33.1 36.9 13 76 A P G > S+ 0 0 48 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.793 116.3 61.0 -48.0 -36.2 35.7 32.5 33.1 14 77 A V G > S+ 0 0 25 1,-0.3 3,-0.6 2,-0.2 379,-0.0 0.761 100.4 54.9 -67.2 -22.4 32.2 31.1 32.8 15 78 A Q G < S+ 0 0 51 -3,-2.6 231,-0.3 1,-0.2 -1,-0.3 0.445 102.8 58.8 -82.6 -0.1 30.7 34.3 34.1 16 79 A W G <> + 0 0 7 -3,-1.8 4,-2.2 -4,-0.3 -1,-0.2 0.197 69.9 105.3-118.7 13.6 32.4 36.3 31.4 17 80 A Q H <> S+ 0 0 28 -3,-0.6 4,-2.2 2,-0.2 -1,-0.1 0.850 79.2 48.6 -76.8 -36.8 31.1 34.7 28.3 18 81 A E H > S+ 0 0 110 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.904 114.5 49.2 -65.3 -40.6 28.6 37.4 27.2 19 82 A L H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.919 108.5 53.1 -58.2 -44.6 31.4 39.9 27.7 20 83 A E H X S+ 0 0 61 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.889 104.8 54.5 -65.7 -38.7 33.8 37.7 25.7 21 84 A K H >X S+ 0 0 79 -4,-2.2 4,-1.4 2,-0.2 3,-0.6 0.947 108.8 48.9 -57.1 -47.6 31.3 37.6 22.8 22 85 A T H >X S+ 0 0 13 -4,-1.8 4,-1.7 1,-0.3 3,-0.6 0.939 107.6 53.3 -60.5 -46.9 31.2 41.4 22.6 23 86 A F H 3X S+ 0 0 4 -4,-2.4 4,-1.8 1,-0.2 10,-0.3 0.764 104.0 60.1 -58.4 -22.9 35.0 41.7 22.8 24 87 A T H S+ 0 0 3 -4,-1.7 5,-2.2 1,-0.2 -1,-0.2 0.844 104.9 59.9 -68.9 -34.0 35.5 44.4 18.4 27 90 A R H ><5S+ 0 0 74 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.899 102.0 54.3 -62.9 -37.4 38.5 42.2 17.9 28 91 A V H 3<5S+ 0 0 8 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.882 104.6 55.5 -61.3 -37.3 37.4 41.7 14.3 29 92 A L T 3<5S- 0 0 14 -4,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.119 126.7 -99.4 -86.2 23.9 37.3 45.5 13.9 30 93 A D T < 5S+ 0 0 104 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.776 87.3 123.8 72.4 25.9 40.9 45.9 15.0 31 94 A L < - 0 0 17 -5,-2.2 2,-0.9 -8,-0.1 -1,-0.2 -0.962 42.2-166.7-124.8 113.3 40.0 46.8 18.5 32 95 A D + 0 0 127 -2,-0.5 2,-0.3 -3,-0.1 -8,-0.1 -0.776 27.8 140.7-110.8 92.5 41.6 44.6 21.1 33 96 A I + 0 0 23 -2,-0.9 2,-0.3 -10,-0.3 -6,-0.1 -0.973 20.8 175.8-137.7 147.5 40.0 45.2 24.6 34 97 A K - 0 0 126 -2,-0.3 2,-0.6 2,-0.0 -14,-0.0 -0.811 33.5-122.9-128.9 169.5 39.0 43.2 27.6 35 98 A I - 0 0 21 -2,-0.3 5,-0.0 103,-0.0 2,-0.0 -0.971 40.2-130.1-108.2 108.2 37.6 43.8 31.1 36 99 A D > - 0 0 57 -2,-0.6 4,-1.6 1,-0.1 5,-0.2 -0.353 7.8-138.2 -56.3 133.8 40.2 42.1 33.2 37 100 A R H > S+ 0 0 87 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.813 101.9 45.2 -68.7 -30.5 38.4 39.8 35.7 38 101 A T H > S+ 0 0 63 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.738 109.6 55.3 -82.6 -24.6 40.6 40.7 38.6 39 102 A E H > S+ 0 0 122 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.832 106.7 50.5 -79.1 -30.7 40.4 44.4 37.9 40 103 A A H X S+ 0 0 3 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.827 110.3 51.0 -73.3 -34.6 36.6 44.3 38.0 41 104 A F H X S+ 0 0 0 -4,-0.9 4,-2.3 2,-0.2 3,-0.5 0.974 110.1 47.8 -66.7 -50.6 36.9 42.5 41.3 42 105 A N H X S+ 0 0 86 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.840 110.0 53.8 -57.3 -32.9 39.2 45.1 42.8 43 106 A L H X S+ 0 0 35 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.850 106.9 51.6 -71.9 -34.9 36.9 47.8 41.5 44 107 A F H X S+ 0 0 0 -4,-1.6 4,-2.8 -3,-0.5 -2,-0.2 0.897 111.5 47.2 -63.2 -45.2 34.0 46.2 43.3 45 108 A I H X S+ 0 0 7 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.969 112.8 48.1 -64.3 -50.7 36.0 46.1 46.5 46 109 A K H < S+ 0 0 146 -4,-2.9 4,-0.2 1,-0.2 -2,-0.2 0.941 114.9 46.2 -53.5 -47.6 37.1 49.8 46.1 47 110 A K H >< S+ 0 0 28 -4,-2.5 3,-2.3 1,-0.2 -1,-0.2 0.935 108.4 55.4 -64.1 -44.8 33.6 50.8 45.4 48 111 A F H 3< S+ 0 0 7 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.874 106.3 52.5 -52.9 -41.7 32.2 48.8 48.3 49 112 A Q T 3< S+ 0 0 107 -4,-2.2 2,-0.6 -5,-0.2 -1,-0.3 0.412 81.0 112.5 -79.8 2.7 34.5 50.6 50.7 50 113 A S <> - 0 0 40 -3,-2.3 4,-1.9 -4,-0.2 3,-0.1 -0.678 53.6-160.7 -79.7 117.2 33.4 54.0 49.5 51 114 A V H > S+ 0 0 80 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.920 90.1 54.6 -67.9 -38.7 31.5 55.6 52.4 52 115 A S H > S+ 0 0 91 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.858 108.7 48.6 -60.2 -34.9 29.8 58.1 50.2 53 116 A L H > S+ 0 0 34 -6,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.877 110.6 52.0 -72.1 -35.6 28.5 55.3 48.0 54 117 A L H X S+ 0 0 7 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.931 109.0 48.1 -66.1 -46.0 27.3 53.5 51.1 55 118 A E H X S+ 0 0 46 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.902 111.2 52.1 -58.6 -44.2 25.4 56.5 52.4 56 119 A E H X S+ 0 0 112 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.917 109.0 50.0 -61.2 -43.1 23.8 57.0 49.0 57 120 A Y H < S+ 0 0 28 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.935 112.8 46.8 -59.0 -47.1 22.7 53.4 49.0 58 121 A L H >< S+ 0 0 1 -4,-2.4 3,-2.3 1,-0.2 7,-0.2 0.977 112.4 48.0 -59.3 -57.4 21.2 53.7 52.5 59 122 A R H 3< S+ 0 0 95 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.792 113.7 48.9 -51.9 -33.9 19.3 57.0 51.8 60 123 A S T 3< S+ 0 0 73 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.415 89.8 99.3 -90.8 -1.4 17.9 55.6 48.6 61 124 A S <> - 0 0 9 -3,-2.3 4,-2.1 -4,-0.3 3,-0.3 -0.808 55.2-163.3 -96.9 113.8 16.7 52.4 50.1 62 125 A P H > S+ 0 0 103 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.885 92.5 58.6 -56.3 -41.0 13.0 52.2 51.0 63 126 A Y H >> S+ 0 0 73 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.911 109.3 42.7 -53.5 -47.4 13.7 49.3 53.3 64 127 A V H >4 S+ 0 0 6 -3,-0.3 3,-1.0 -6,-0.2 -1,-0.2 0.874 104.8 64.4 -69.2 -37.1 16.1 51.3 55.4 65 128 A M H 3< S+ 0 0 73 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.629 88.0 70.6 -69.4 -11.8 14.0 54.4 55.4 66 129 A D H << 0 0 129 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.938 360.0 360.0 -63.5 -46.6 11.3 52.5 57.4 67 130 A Q << 0 0 136 -3,-1.0 -2,-0.1 -4,-0.5 -3,-0.1 0.777 360.0 360.0 -79.4 360.0 13.6 52.5 60.4 68 ! 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 69 137 A D 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 15.6 13.5 61.4 62.1 70 138 A E - 0 0 166 0, 0.0 4,-0.2 0, 0.0 0, 0.0 0.500 360.0 -20.0-133.1 -81.1 14.7 64.9 61.1 71 139 A L S > S+ 0 0 152 2,-0.1 4,-0.8 1,-0.1 0, 0.0 0.178 125.3 77.5-120.1 8.5 18.4 65.7 60.8 72 140 A D H > S+ 0 0 82 2,-0.2 4,-3.2 1,-0.1 5,-0.2 0.499 77.4 80.7 -78.1 -13.1 19.1 62.8 63.1 73 141 A L H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.985 91.4 45.9 -53.4 -58.8 18.5 61.1 59.7 74 142 A H H > S+ 0 0 94 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.924 113.3 50.2 -48.2 -51.4 22.0 62.0 58.8 75 143 A R H X S+ 0 0 173 -4,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.871 108.4 50.6 -58.9 -42.1 23.3 60.7 62.2 76 144 A A H X S+ 0 0 53 -4,-3.2 4,-2.8 2,-0.2 -1,-0.2 0.898 112.4 49.4 -62.6 -38.2 21.4 57.4 61.9 77 145 A I H X S+ 0 0 3 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.958 109.5 49.0 -65.5 -53.3 23.0 57.0 58.5 78 146 A V H X S+ 0 0 47 -4,-3.0 4,-0.7 1,-0.2 -1,-0.2 0.882 114.5 48.4 -51.0 -38.3 26.5 57.8 59.7 79 147 A A H >< S+ 0 0 46 -4,-2.0 3,-0.7 -5,-0.2 -2,-0.2 0.922 112.9 45.3 -73.9 -42.8 25.9 55.3 62.4 80 148 A L H >< S+ 0 0 34 -4,-2.8 3,-2.1 1,-0.2 -2,-0.2 0.900 106.8 59.6 -63.7 -40.4 24.6 52.6 60.2 81 149 A S H >< S+ 0 0 14 -4,-3.3 3,-1.1 1,-0.3 -1,-0.2 0.720 91.7 69.8 -66.2 -16.3 27.3 53.1 57.7 82 150 A E T << S+ 0 0 132 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.473 91.0 62.9 -78.2 0.2 29.8 52.2 60.4 83 151 A K T < S+ 0 0 78 -3,-2.1 26,-1.0 -4,-0.1 2,-0.6 0.331 76.6 93.4-113.2 7.5 28.7 48.6 60.3 84 152 A M E < +C 108 0A 23 -3,-1.1 2,-0.4 24,-0.2 24,-0.2 -0.908 55.8 174.6 -88.4 123.4 29.7 47.8 56.7 85 153 A K E -C 107 0A 106 22,-2.1 22,-2.3 -2,-0.6 2,-0.4 -0.963 20.5-166.6-128.7 150.1 33.1 46.2 56.8 86 154 A A E -C 106 0A 18 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.997 12.0-178.3-131.0 126.8 35.3 44.6 54.1 87 155 A V E -C 105 0A 79 18,-2.4 18,-3.3 -2,-0.4 2,-0.4 -0.993 27.9-128.8-128.9 133.8 38.4 42.6 55.1 88 156 A D E >> -C 104 0A 52 -2,-0.4 3,-1.1 16,-0.2 4,-0.7 -0.635 20.3-142.8 -69.8 131.5 40.9 40.9 52.9 89 157 A D T 34 S+ 0 0 44 14,-2.4 -1,-0.1 -2,-0.4 15,-0.1 0.685 96.0 52.1 -75.4 -13.6 41.1 37.4 54.2 90 158 A N T 34 S+ 0 0 38 13,-0.4 -1,-0.2 1,-0.1 7,-0.1 0.236 87.1 77.0-111.6 10.2 44.9 37.3 53.6 91 159 A A T <4 S+ 0 0 61 -3,-1.1 2,-0.3 1,-0.1 -2,-0.1 0.931 88.5 64.8 -74.5 -54.9 45.9 40.4 55.4 92 160 A S S < S+ 0 0 86 -4,-0.7 -1,-0.1 1,-0.1 -5,-0.0 -0.590 109.0 29.0 -70.3 127.0 45.5 38.6 58.7 93 161 A K S S- 0 0 104 -2,-0.3 -1,-0.1 -3,-0.0 4,-0.0 0.851 104.9-147.9 67.5 94.7 48.2 35.9 58.6 94 162 A K > - 0 0 174 2,-0.0 3,-0.6 1,-0.0 -2,-0.1 0.647 28.1 -27.5 -80.1-137.4 50.5 37.9 56.4 95 163 A K T 3 S+ 0 0 92 1,-0.2 -1,-0.0 -4,-0.1 -4,-0.0 0.067 103.3 57.2 -71.0-174.7 53.1 37.1 53.6 96 164 A D T 3 S+ 0 0 126 1,-0.1 -1,-0.2 257,-0.0 -2,-0.0 0.071 97.0 76.5 72.7 -23.8 55.2 34.0 53.1 97 165 A E S < S- 0 0 72 -3,-0.6 -1,-0.1 -7,-0.1 252,-0.0 -0.756 83.4-148.4-113.6 81.3 52.0 31.9 53.0 98 166 A P - 0 0 124 0, 0.0 2,-0.6 0, 0.0 3,-0.1 0.106 10.7-118.2 -47.2 161.1 50.5 32.6 49.5 99 167 A S - 0 0 53 1,-0.1 3,-0.1 -9,-0.0 -9,-0.0 -0.937 9.0-155.2-107.2 111.3 46.9 32.7 48.7 100 168 A L S S+ 0 0 79 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.882 87.3 7.9 -48.7 -45.9 45.7 30.2 46.3 101 169 A Y S S- 0 0 48 -3,-0.1 -1,-0.1 203,-0.0 2,-0.0 -0.952 83.0-112.2-138.2 154.6 42.8 32.5 45.5 102 170 A T + 0 0 51 -2,-0.3 2,-0.2 -3,-0.1 -14,-0.0 -0.214 43.6 170.5 -71.0 177.8 42.1 36.1 46.5 103 171 A S - 0 0 6 -94,-0.1 -14,-2.4 2,-0.0 -13,-0.4 -0.669 18.4-161.7 169.8 132.5 39.1 36.5 48.8 104 172 A W E -AC 8 88A 43 -96,-2.8 -96,-2.5 -16,-0.2 2,-0.6 -0.923 15.6-135.6-126.4 152.4 37.4 39.1 50.9 105 173 A T E -AC 7 87A 34 -18,-3.3 -18,-2.4 -2,-0.3 2,-0.4 -0.933 20.5-170.8-106.9 118.7 34.9 39.0 53.8 106 174 A L E +AC 6 86A 0 -100,-3.1 -100,-2.8 -2,-0.6 2,-0.3 -0.861 14.8 172.7-105.2 140.9 32.1 41.5 53.5 107 175 A S E -AC 5 85A 18 -22,-2.3 -22,-2.1 -2,-0.4 2,-0.4 -1.000 25.7-164.7-152.7 152.7 29.8 42.0 56.5 108 176 A F E -AC 4 84A 2 -104,-2.1 -104,-3.9 -2,-0.3 2,-0.4 -0.996 13.1-153.1-136.0 133.3 27.0 44.0 58.0 109 177 A T E +A 3 0A 24 -26,-1.0 -106,-0.3 -2,-0.4 4,-0.1 -0.893 25.1 168.1-105.5 130.3 25.9 44.0 61.7 110 178 A A E -A 2 0A 1 -108,-2.9 -108,-1.7 -2,-0.4 -2,-0.0 -0.899 50.6-107.3-137.5 162.3 22.3 44.8 62.7 111 179 A P S S+ 0 0 67 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.921 107.0 33.2 -43.5 -54.0 19.6 44.8 65.4 112 180 A T S > S- 0 0 73 1,-0.1 4,-1.8 -110,-0.1 -110,-0.2 -0.748 77.0-126.0-111.8 163.1 17.9 41.9 63.6 113 181 A S H > S+ 0 0 30 -2,-0.3 4,-1.6 2,-0.2 5,-0.2 0.959 113.3 48.5 -63.7 -55.3 19.0 38.9 61.6 114 182 A E H > S+ 0 0 141 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.920 108.6 54.6 -49.2 -50.1 16.7 39.8 58.7 115 183 A E H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.931 107.1 49.6 -55.7 -49.2 17.9 43.4 58.7 116 184 A A H X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.828 114.4 44.5 -61.2 -34.3 21.6 42.4 58.4 117 185 A Q H X S+ 0 0 60 -4,-1.6 4,-2.0 -3,-0.3 5,-0.3 0.891 112.2 49.2 -81.2 -37.8 21.0 40.1 55.5 118 186 A T H X S+ 0 0 58 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.887 114.6 47.4 -68.9 -31.2 18.7 42.3 53.5 119 187 A V H X S+ 0 0 2 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.747 110.2 49.5 -82.6 -26.3 21.1 45.2 53.8 120 188 A L H X S+ 0 0 0 -4,-1.1 4,-2.6 -5,-0.2 -2,-0.2 0.928 115.9 43.8 -75.5 -46.0 24.3 43.3 52.9 121 189 A S H X S+ 0 0 37 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.968 114.6 49.4 -59.4 -53.9 22.6 41.8 49.8 122 190 A G H X S+ 0 0 19 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.929 114.1 44.8 -50.4 -53.0 21.0 45.1 48.8 123 191 A Y H X S+ 0 0 0 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Q G < S+ 0 0 51 -3,-2.4 -1,-0.3 1,-0.2 231,-0.3 0.610 103.3 58.1 -77.6 -7.5 43.6 10.7 34.1 274 79 B W G <> S+ 0 0 8 -3,-2.1 4,-2.1 -4,-0.4 -1,-0.2 0.357 71.8 101.3-106.7 3.8 43.8 13.3 31.4 275 80 B Q H <> S+ 0 0 25 -3,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.879 80.9 50.0 -64.6 -42.7 43.8 11.1 28.3 276 81 B E H > S+ 0 0 93 -4,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.908 113.8 47.3 -60.0 -40.2 40.2 11.5 27.3 277 82 B L H > S+ 0 0 4 1,-0.2 4,-2.2 -4,-0.2 -2,-0.2 0.861 108.3 55.8 -65.5 -38.0 40.5 15.3 27.7 278 83 B E H X S+ 0 0 62 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.862 102.7 56.1 -66.0 -35.1 43.7 15.2 25.7 279 84 B K H X S+ 0 0 75 -4,-1.8 4,-1.4 2,-0.2 3,-0.4 0.947 110.3 42.8 -63.2 -47.7 41.9 13.5 22.8 280 85 B T H X S+ 0 0 9 -4,-1.5 4,-1.2 1,-0.3 -1,-0.2 0.848 110.4 55.9 -74.1 -28.7 39.3 16.2 22.4 281 86 B F H X S+ 0 0 5 -4,-2.2 4,-1.6 1,-0.2 -1,-0.3 0.801 104.9 56.8 -63.4 -26.8 41.9 18.9 22.8 282 87 B T H X S+ 0 0 0 -4,-1.2 4,-1.5 -3,-0.4 -2,-0.2 0.863 102.1 51.9 -76.4 -35.2 43.7 17.2 19.9 283 88 B K H X S+ 0 0 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104,-0.0 -16,-0.0 -0.925 32.3-136.4-114.4 104.3 42.9 22.3 31.1 294 99 B D > - 0 0 42 -2,-0.5 4,-2.2 1,-0.1 3,-0.4 -0.414 5.1-138.5 -63.5 125.5 46.0 22.6 33.4 295 100 B R H > S+ 0 0 86 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.833 102.6 45.3 -56.2 -35.9 46.0 19.7 35.9 296 101 B T H > S+ 0 0 62 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.826 108.7 55.4 -75.8 -34.0 47.0 21.9 38.8 297 102 B E H > S+ 0 0 137 -3,-0.4 4,-0.9 2,-0.2 -2,-0.2 0.894 107.8 49.4 -70.0 -37.0 44.5 24.6 37.9 298 103 B A H X S+ 0 0 4 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.867 110.8 50.6 -64.3 -39.0 41.7 22.0 38.1 299 104 B F H X S+ 0 0 0 -4,-1.3 4,-2.7 -5,-0.3 3,-0.3 0.952 110.6 48.6 -64.1 -46.3 43.0 20.8 41.4 300 105 B N H X S+ 0 0 52 -4,-2.8 4,-1.4 1,-0.3 -1,-0.2 0.678 110.8 51.4 -66.7 -18.8 43.0 24.4 42.7 301 106 B L H X S+ 0 0 30 -4,-0.9 4,-2.5 2,-0.2 -1,-0.3 0.788 108.2 52.2 -85.6 -29.1 39.5 24.9 41.4 302 107 B F H X S+ 0 0 0 -4,-1.7 4,-2.6 -3,-0.3 -2,-0.2 0.975 112.1 44.4 -67.6 -57.2 38.4 21.7 43.2 303 108 B I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.909 112.0 53.5 -54.9 -44.9 39.9 22.9 46.5 304 109 B K H X S+ 0 0 25 -4,-1.4 4,-0.6 1,-0.2 -1,-0.2 0.971 111.8 44.1 -56.4 -52.3 38.4 26.4 46.0 305 110 B K H >< S+ 0 0 5 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.850 111.7 55.3 -61.9 -32.4 34.9 25.0 45.4 306 111 B F H 3< S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.2 6,-0.2 0.989 104.6 52.3 -60.3 -54.7 35.3 22.6 48.3 307 112 B Q H 3< S+ 0 0 75 -4,-2.7 2,-0.7 -5,-0.1 -1,-0.2 0.570 85.0 109.1 -61.0 -9.2 36.2 25.5 50.7 308 113 B S S+ 0 0 51 -2,-0.7 4,-2.9 1,-0.2 -57,-0.2 0.861 89.2 54.7 -57.8 -39.2 30.5 27.2 52.5 310 115 B S H > S+ 0 0 17 -59,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.868 107.3 48.5 -69.3 -35.2 27.5 28.0 50.2 311 116 B L H > S+ 0 0 25 -60,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.945 112.5 51.2 -65.0 -44.6 28.3 25.0 47.9 312 117 B L H X S+ 0 0 8 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.919 108.8 48.9 -56.3 -50.7 28.5 22.9 51.0 313 118 B E H X S+ 0 0 30 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.902 110.3 52.4 -56.9 -40.8 25.2 24.1 52.3 314 119 B E H X S+ 0 0 118 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.883 110.1 50.0 -62.9 -38.6 23.6 23.4 48.9 315 120 B Y H >< S+ 0 0 20 -4,-2.1 3,-0.6 2,-0.2 -2,-0.2 0.970 110.9 45.7 -66.4 -54.9 25.0 19.9 49.1 316 121 B L H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.3 6,-0.2 0.916 113.6 50.0 -53.5 -47.7 23.8 19.0 52.6 317 122 B R H 3< S+ 0 0 97 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.770 111.7 49.7 -61.7 -28.3 20.3 20.4 51.8 318 123 B S T << S+ 0 0 74 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.215 89.8 105.1 -96.4 10.5 20.2 18.4 48.6 319 124 B S <> - 0 0 12 -3,-1.7 4,-2.5 1,-0.2 5,-0.2 -0.855 54.0-161.8-104.6 113.7 21.2 15.2 50.3 320 125 B P T 4 S+ 0 0 108 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.951 97.5 54.3 -48.5 -52.1 18.7 12.4 50.9 321 126 B Y T >> S+ 0 0 75 1,-0.2 3,-0.9 2,-0.2 4,-0.8 0.880 112.1 42.8 -49.3 -46.2 21.1 10.9 53.5 322 127 B V T 34 S+ 0 0 10 1,-0.2 -1,-0.2 -6,-0.2 -5,-0.1 0.838 101.1 66.2 -76.3 -34.4 21.4 14.2 55.4 323 128 B M T 3< S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.373 96.6 60.8 -73.5 8.2 17.7 15.2 55.4 324 129 B D T <4 0 0 136 -3,-0.9 -1,-0.2 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112.0 -84.9 -3.2 53.3 7.3 50.7 566 113 C S <> - 0 0 3 -3,-1.6 4,-1.6 -4,-0.5 -56,-0.2 -0.611 55.9-159.2 -68.9 117.8 49.8 6.8 49.5 567 114 C V H > S+ 0 0 53 -2,-0.6 4,-2.4 1,-0.2 -57,-0.2 0.889 90.3 55.5 -67.7 -35.3 48.1 5.3 52.4 568 115 C S H > S+ 0 0 28 -59,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.858 105.7 51.2 -63.6 -36.3 45.4 3.9 50.1 569 116 C L H > S+ 0 0 31 -60,-0.5 4,-2.1 -6,-0.2 -1,-0.2 0.909 109.7 50.4 -67.6 -39.5 47.9 2.1 48.0 570 117 C L H X S+ 0 0 6 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.932 109.1 50.0 -64.6 -47.7 49.5 0.5 51.0 571 118 C E H X S+ 0 0 38 -4,-2.4 4,-3.4 1,-0.2 -1,-0.2 0.938 108.9 53.0 -55.6 -46.3 46.2 -0.7 52.3 572 119 C E H < S+ 0 0 119 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.909 112.0 46.7 -57.7 -40.4 45.4 -2.2 48.9 573 120 C Y H >X S+ 0 0 30 -4,-2.1 3,-1.4 2,-0.2 4,-0.5 0.964 115.2 43.2 -65.1 -55.5 48.7 -4.0 49.0 574 121 C L H >< S+ 0 0 1 -4,-3.0 3,-1.7 1,-0.3 6,-0.2 0.963 111.3 56.0 -52.6 -53.6 48.4 -5.3 52.6 575 122 C R T 3< S+ 0 0 96 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.579 115.0 38.4 -58.0 -11.2 44.8 -6.3 51.9 576 123 C S T <4 S+ 0 0 78 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.260 86.2 103.5-131.5 9.5 45.8 -8.5 49.0 577 124 C S S+ 0 0 99 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.894 96.4 59.6 -54.3 -38.7 48.4 -13.7 51.0 579 126 C Y H > S+ 0 0 80 1,-0.2 4,-0.7 2,-0.2 57,-0.1 0.881 112.1 36.3 -58.4 -42.0 51.4 -13.4 53.4 580 127 C V H 4 S+ 0 0 11 -3,-0.2 -1,-0.2 -6,-0.2 3,-0.1 0.815 115.6 56.0 -81.5 -28.6 49.9 -10.6 55.3 581 128 C M H < S+ 0 0 47 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.800 101.9 55.3 -74.5 -29.2 46.3 -12.0 55.1 582 129 C D H < S+ 0 0 141 -4,-2.2 2,-2.3 1,-0.2 -1,-0.2 0.774 86.9 82.8 -74.4 -28.2 47.3 -15.4 56.6 583 130 C Q < 0 0 98 -4,-0.7 -1,-0.2 -5,-0.2 -4,-0.0 -0.486 360.0 360.0 -75.6 70.2 48.7 -13.7 59.7 584 131 C L 0 0 158 -2,-2.3 -1,-0.1 2,-0.0 -3,-0.1 -0.712 360.0 360.0 -92.1 360.0 45.3 -13.4 61.4 585 ! 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 0.0 586 137 C D 0 0 86 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 30.6 39.2 -11.4 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168 C L S S+ 0 0 167 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.702 96.1 9.1 -61.0 -27.8 75.8 14.7 46.7 618 169 C Y S S- 0 0 113 2,-0.0 -1,-0.1 -93,-0.0 2,-0.1 -0.987 83.2-100.5-152.1 148.3 72.7 12.8 45.6 619 170 C T + 0 0 61 -2,-0.3 2,-0.3 -3,-0.1 -14,-0.0 -0.443 46.1 170.5 -62.9 144.0 69.0 12.5 46.7 620 171 C S - 0 0 6 -95,-0.2 -14,-2.3 -2,-0.1 -13,-0.5 -0.948 18.5-161.6-155.9 142.4 68.2 9.6 48.9 621 172 C W E -GI 524 605C 21 -97,-2.5 -97,-2.3 -2,-0.3 2,-0.6 -0.951 14.9-139.0-120.1 145.1 65.3 8.4 51.0 622 173 C T E -GI 523 604C 43 -18,-2.5 -18,-2.2 -2,-0.4 2,-0.4 -0.906 19.8-168.3-101.5 124.2 65.2 5.9 53.8 623 174 C L E +GI 522 603C 0 -101,-3.1 -101,-3.9 -2,-0.6 2,-0.3 -0.915 12.2 175.1-110.5 141.5 62.2 3.6 53.7 624 175 C S E -GI 521 602C 23 -22,-2.2 -22,-2.8 -2,-0.4 2,-0.4 -0.999 20.6-164.1-150.7 145.0 61.3 1.4 56.6 625 176 C F E -GI 520 601C 2 -105,-2.4 -105,-2.9 -2,-0.3 2,-0.4 -0.998 13.0-150.4-131.5 135.8 58.8 -1.1 58.0 626 177 C T E +G 519 0C 31 -26,-1.5 -107,-0.2 -2,-0.4 -26,-0.1 -0.871 25.0 156.2-111.0 131.5 58.3 -2.2 61.6 627 178 C A E -G 518 0C 0 -109,-2.9 -109,-2.4 -2,-0.4 6,-0.1 -0.934 53.5-102.5-144.8 163.1 57.0 -5.7 62.6 628 179 C P S S+ 0 0 84 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.790 108.0 44.8 -54.5 -35.5 56.9 -8.4 65.4 629 180 C T S > S- 0 0 65 1,-0.1 4,-1.5 -111,-0.1 -111,-0.2 -0.843 77.2-136.2-108.4 154.8 59.4 -10.6 63.5 630 181 C S H > S+ 0 0 27 -2,-0.3 4,-1.8 2,-0.2 5,-0.1 0.915 108.4 46.9 -69.6 -43.0 62.6 -9.4 61.8 631 182 C E H > S+ 0 0 116 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.861 109.1 53.8 -69.6 -35.8 61.8 -11.6 58.8 632 183 C E H > S+ 0 0 16 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.924 107.1 52.3 -62.6 -43.1 58.2 -10.4 58.5 633 184 C A H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 5,-0.2 0.926 110.8 47.0 -56.7 -49.2 59.4 -6.8 58.5 634 185 C Q H X S+ 0 0 57 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.915 112.2 50.3 -58.5 -46.3 61.8 -7.4 55.6 635 186 C T H X S+ 0 0 50 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.825 111.7 45.0 -66.1 -38.9 59.2 -9.3 53.6 636 187 C V H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.909 115.1 48.0 -73.2 -41.5 56.4 -6.7 53.8 637 188 C L H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.856 113.5 47.8 -66.4 -33.4 58.8 -3.8 53.1 638 189 C S H X S+ 0 0 41 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.854 113.7 46.5 -78.1 -31.0 60.3 -5.6 50.1 639 190 C G H X S+ 0 0 16 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.856 109.8 53.0 -81.6 -36.7 57.0 -6.6 48.7 640 191 C Y H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.895 109.3 49.5 -63.7 -41.0 55.4 -3.2 49.1 641 192 C I H X S+ 0 0 0 -4,-1.6 4,-3.3 2,-0.2 -2,-0.2 0.933 111.2 49.7 -61.4 -46.4 58.4 -1.6 47.2 642 193 C D H X S+ 0 0 94 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.908 111.9 48.5 -58.7 -44.5 58.0 -4.2 44.4 643 194 C Y H X S+ 0 0 50 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.938 111.1 49.0 -62.0 -49.9 54.3 -3.4 44.2 644 195 C I H >X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 3,-0.8 0.965 109.7 53.3 -56.5 -52.6 54.9 0.3 44.1 645 196 C S H 3X S+ 0 0 12 -4,-3.3 4,-3.0 1,-0.3 -1,-0.2 0.873 105.2 54.6 -46.3 -44.8 57.5 -0.2 41.3 646 197 C A H 3X S+ 0 0 60 -4,-2.1 4,-2.2 2,-0.2 -1,-0.3 0.868 108.0 49.2 -61.7 -35.7 55.0 -2.1 39.3 647 198 C L H S+ 0 0 0 -4,-2.9 5,-2.9 -5,-0.2 4,-0.4 0.935 111.9 45.4 -60.7 -46.2 46.0 33.7 -24.2 697 248 C N H ><5S+ 0 0 81 -4,-2.3 3,-1.1 3,-0.2 -2,-0.2 0.926 112.7 50.5 -60.3 -47.2 43.6 33.1 -27.0 698 249 C A H 3<5S+ 0 0 38 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.894 112.6 46.6 -57.6 -39.2 42.4 36.7 -26.9 699 250 C A T 3<5S- 0 0 5 -4,-2.8 -1,-0.3 -238,-0.2 -2,-0.2 0.525 113.7-121.6 -84.7 -3.7 46.0 37.9 -27.0 700 251 C G T < 5 + 0 0 48 -3,-1.1 2,-1.0 -4,-0.4 -3,-0.2 0.777 61.6 147.7 67.5 29.4 46.7 35.4 -29.9 701 252 C I < + 0 0 15 -5,-2.9 17,-2.8 -6,-0.2 -1,-0.2 -0.798 4.8 149.2 -94.1 92.3 49.4 33.6 -27.9 702 253 C K + 0 0 135 -2,-1.0 17,-2.6 15,-0.3 18,-0.6 0.895 61.1 42.6 -89.1 -47.1 49.1 30.1 -29.2 703 254 C K S S- 0 0 145 -3,-0.2 15,-0.2 1,-0.2 14,-0.1 -0.554 103.8 -83.5 -96.5 158.1 52.6 28.8 -28.9 704 255 C P - 0 0 52 0, 0.0 2,-0.6 0, 0.0 12,-0.2 -0.234 42.7-118.3 -55.1 156.6 54.9 29.5 -26.0 705 256 C V 0 0 60 10,-1.9 -4,-0.0 1,-0.2 12,-0.0 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