==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 19-JUL-12 4G6U . COMPND 2 MOLECULE: EC869 CDIA-CT; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI O157:H7; . AUTHOR R.P.MORSE,K.NIKOLAKAKIS,J.WILLET,E.GERRICK,D.A.LOW,C.S.HAYES . 376 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 27 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 1 1 0 1 3 1 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 PARALLEL BRIDGES PER LADDER . 1 1 5 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 0 0 0 1 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 85 A V 0 0 158 0, 0.0 2,-0.4 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 134.7 -6.0 61.8 42.2 2 86 A X - 0 0 10 29,-0.3 2,-0.1 4,-0.1 26,-0.0 -0.544 360.0-152.6 -83.1 125.1 -8.4 64.3 40.7 3 87 A T > - 0 0 66 -2,-0.4 4,-3.0 1,-0.1 5,-0.2 -0.450 32.5-107.7 -80.3 161.8 -9.2 67.6 42.5 4 88 A S H > S+ 0 0 63 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.897 122.0 56.3 -55.9 -43.4 -12.5 69.4 42.0 5 89 A D H > S+ 0 0 133 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.963 110.5 43.2 -47.3 -58.0 -10.6 72.1 40.1 6 90 A E H > S+ 0 0 73 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.920 115.0 48.8 -60.5 -46.8 -9.3 69.4 37.7 7 91 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.923 111.8 49.1 -59.6 -46.2 -12.7 67.7 37.4 8 92 A K H X S+ 0 0 119 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.911 113.7 46.1 -60.3 -41.9 -14.5 70.9 36.7 9 93 A A H X S+ 0 0 58 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.892 111.4 52.3 -71.5 -36.9 -12.0 72.0 34.1 10 94 A Y H X S+ 0 0 7 -4,-2.7 4,-1.2 -5,-0.2 -2,-0.2 0.920 110.5 47.4 -62.7 -45.4 -12.1 68.5 32.4 11 95 A V H >X S+ 0 0 4 -4,-2.6 4,-0.8 1,-0.2 3,-0.8 0.945 110.7 51.9 -60.7 -49.2 -15.9 68.6 32.2 12 96 A Q H >< S+ 0 0 111 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.898 104.9 57.6 -51.8 -44.7 -15.8 72.1 30.7 13 97 A K H 3< S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.835 108.5 45.7 -59.1 -32.6 -13.3 70.9 28.1 14 98 A W H X< S+ 0 0 47 -4,-1.2 3,-1.9 -3,-0.8 -1,-0.2 0.536 79.0 129.7 -94.3 -4.3 -15.7 68.3 26.8 15 99 A N T << S- 0 0 56 -3,-1.0 3,-0.1 -4,-0.8 -3,-0.0 -0.245 84.2 -0.1 -50.7 124.2 -18.9 70.4 26.7 16 100 A G T 3 S+ 0 0 92 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.714 106.0 121.5 69.9 20.4 -20.6 70.0 23.3 17 101 A R S < S- 0 0 168 -3,-1.9 2,-0.5 2,-0.0 -1,-0.3 -0.809 74.0 -96.6-112.4 157.5 -17.9 67.6 21.9 18 102 A D > - 0 0 91 -2,-0.3 3,-1.3 1,-0.1 -3,-0.0 -0.622 28.6-154.3 -72.9 118.5 -18.3 64.1 20.6 19 103 A L G > S+ 0 0 48 -2,-0.5 3,-1.3 1,-0.2 -1,-0.1 0.553 84.7 76.5 -73.9 -8.7 -17.5 61.7 23.5 20 104 A T G 3 S+ 0 0 119 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.696 83.5 68.1 -76.1 -16.1 -16.4 58.9 21.2 21 105 A K G < S+ 0 0 171 -3,-1.3 2,-0.5 2,-0.1 -1,-0.3 0.434 76.6 113.4 -76.5 -1.2 -13.1 60.8 20.6 22 106 A I < - 0 0 20 -3,-1.3 2,-1.0 1,-0.1 -3,-0.0 -0.627 66.5-140.0 -77.8 122.4 -12.3 60.1 24.3 23 107 A D > - 0 0 95 -2,-0.5 3,-2.2 1,-0.1 6,-0.3 -0.751 10.0-159.4 -80.2 104.9 -9.3 57.8 24.7 24 108 A V T 3 S+ 0 0 64 -2,-1.0 -1,-0.1 1,-0.3 -2,-0.0 0.393 90.5 55.3 -71.6 4.4 -10.5 55.5 27.6 25 109 A N T 3 S+ 0 0 127 4,-0.0 -1,-0.3 5,-0.0 -2,-0.0 0.430 80.9 112.8-108.8 -6.7 -6.8 54.7 28.2 26 110 A S S <> S- 0 0 29 -3,-2.2 4,-2.0 1,-0.1 5,-0.1 -0.389 75.9-124.6 -63.5 143.0 -5.7 58.3 28.6 27 111 A P H > S+ 0 0 102 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.834 108.4 54.9 -58.0 -35.5 -4.7 59.2 32.2 28 112 A E H > S+ 0 0 73 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.925 107.2 47.3 -69.7 -43.9 -7.2 62.0 32.4 29 113 A W H > S+ 0 0 9 -6,-0.3 4,-2.8 2,-0.2 5,-0.2 0.945 113.5 50.3 -56.9 -50.1 -10.2 59.9 31.5 30 114 A T H X S+ 0 0 36 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.935 111.7 46.6 -52.6 -52.5 -9.1 57.3 34.0 31 115 A K H X S+ 0 0 67 -4,-2.5 4,-2.7 1,-0.2 -29,-0.3 0.907 114.4 47.5 -59.7 -41.8 -8.7 59.9 36.8 32 116 A F H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.875 109.7 52.7 -67.7 -38.0 -12.1 61.5 36.0 33 117 A A H X S+ 0 0 0 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.907 112.0 46.0 -65.6 -41.1 -13.8 58.1 35.9 34 118 A V H X S+ 0 0 49 -4,-2.3 4,-1.6 -5,-0.2 3,-0.5 0.950 113.9 49.0 -62.4 -50.4 -12.4 57.3 39.3 35 119 A F H < S+ 0 0 16 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.917 114.1 45.6 -51.9 -48.6 -13.3 60.8 40.7 36 120 A A H < S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.660 114.7 44.7 -78.6 -18.2 -16.9 60.6 39.4 37 121 A S H < S+ 0 0 10 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.624 81.3 106.4-101.4 -17.6 -17.7 57.0 40.5 38 122 A D >< - 0 0 23 -4,-1.6 3,-1.6 -5,-0.2 4,-0.1 -0.520 69.0-145.1 -57.5 114.8 -16.3 57.4 44.0 39 123 A P G >> S+ 0 0 70 0, 0.0 3,-1.9 0, 0.0 4,-0.5 0.719 92.4 73.5 -72.1 -18.1 -19.6 57.6 45.9 40 124 A E G 34 S+ 0 0 153 1,-0.3 -2,-0.1 2,-0.1 -3,-0.0 0.372 103.1 46.6 -67.2 5.1 -18.2 60.0 48.5 41 125 A N G <> S+ 0 0 19 -3,-1.6 4,-2.4 -6,-0.1 -1,-0.3 0.271 87.3 92.0-124.2 4.0 -18.5 62.4 45.6 42 126 A Q H <> S+ 0 0 51 -3,-1.9 4,-3.1 2,-0.2 5,-0.2 0.980 90.5 39.4 -68.6 -59.9 -22.0 61.5 44.4 43 127 A A H X S+ 0 0 76 -4,-0.5 4,-2.7 1,-0.2 5,-0.3 0.845 116.6 57.3 -53.9 -35.0 -24.1 64.0 46.4 44 128 A X H > S+ 0 0 99 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.927 112.6 36.6 -60.4 -51.2 -21.2 66.4 45.6 45 129 A L H X>S+ 0 0 3 -4,-2.4 5,-1.5 2,-0.2 6,-1.4 0.837 119.5 49.9 -75.1 -37.0 -21.5 66.0 41.8 46 130 A V H ><5S+ 0 0 81 -4,-3.1 3,-1.2 -5,-0.2 -2,-0.2 0.984 118.5 35.4 -64.2 -60.1 -25.3 65.7 41.8 47 131 A S H 3<5S+ 0 0 108 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.687 114.6 61.0 -73.1 -15.5 -26.0 68.8 44.0 48 132 A G H 3<5S- 0 0 56 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.603 110.4-121.4 -82.0 -14.8 -23.1 70.5 42.2 49 133 A G T <<5S+ 0 0 36 -3,-1.2 3,-0.5 -4,-0.6 -3,-0.2 0.527 81.6 113.8 89.2 5.1 -24.7 70.2 38.8 50 134 A L > < + 0 0 44 -5,-1.5 3,-1.2 -6,-0.2 6,-0.3 0.665 63.3 72.5 -79.9 -19.3 -22.0 68.2 37.1 51 135 A L T 3 S+ 0 0 54 -6,-1.4 -1,-0.2 1,-0.2 6,-0.2 0.703 82.0 69.3 -70.0 -19.7 -24.2 65.1 36.7 52 136 A V T 3 S+ 0 0 100 -3,-0.5 2,-0.3 -6,-0.1 -1,-0.2 0.595 83.0 96.2 -73.0 -8.1 -26.4 66.8 34.0 53 137 A K S X> S- 0 0 84 -3,-1.2 4,-2.2 1,-0.1 3,-0.6 -0.674 77.0-135.4 -89.3 138.1 -23.3 66.5 31.7 54 138 A D H 3> S+ 0 0 115 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.877 103.7 55.5 -56.8 -42.3 -23.1 63.6 29.3 55 139 A I H 3> S+ 0 0 6 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.851 108.1 48.8 -64.6 -31.5 -19.4 63.0 30.1 56 140 A T H <> S+ 0 0 0 -3,-0.6 4,-2.0 -6,-0.3 -1,-0.2 0.936 113.4 46.2 -74.0 -44.7 -20.2 62.6 33.8 57 141 A K H X S+ 0 0 111 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.912 113.1 51.4 -56.6 -42.5 -23.0 60.2 33.1 58 142 A A H X S+ 0 0 35 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.812 107.0 53.2 -68.7 -30.6 -20.7 58.4 30.7 59 143 A A H X S+ 0 0 0 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.903 109.8 48.0 -68.8 -43.0 -18.0 58.1 33.3 60 144 A I H X S+ 0 0 42 -4,-2.0 4,-1.0 2,-0.2 3,-0.3 0.960 113.0 45.4 -65.9 -49.1 -20.4 56.6 35.8 61 145 A S H >< S+ 0 0 70 -4,-2.3 3,-0.6 1,-0.2 4,-0.5 0.893 110.7 56.0 -64.0 -37.5 -21.9 54.0 33.5 62 146 A F H >< S+ 0 0 42 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.866 108.3 47.3 -55.6 -40.9 -18.3 53.1 32.2 63 147 A X H 3< S+ 0 0 1 -4,-1.7 131,-0.4 -3,-0.3 -1,-0.2 0.622 110.8 52.9 -80.2 -11.6 -17.3 52.4 35.8 64 148 A S T << S+ 0 0 20 -4,-1.0 -1,-0.2 -3,-0.6 127,-0.2 0.456 85.0 114.5 -98.9 -2.9 -20.4 50.3 36.4 65 149 A R S < S- 0 0 109 -3,-0.7 2,-0.7 -4,-0.5 129,-0.1 -0.213 79.2 -99.4 -69.7 157.7 -19.8 48.0 33.4 66 150 A N + 0 0 82 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.699 41.7 174.6 -80.9 113.7 -19.1 44.3 33.7 67 151 A T + 0 0 30 -2,-0.7 142,-0.3 123,-0.1 -1,-0.1 0.192 22.7 143.5-107.6 14.9 -15.3 43.9 33.3 68 152 A A - 0 0 21 1,-0.2 142,-0.2 140,-0.1 3,-0.1 -0.322 42.3-152.0 -54.2 130.6 -15.1 40.2 34.1 69 153 A T S S+ 0 0 104 140,-3.0 2,-0.3 1,-0.2 141,-0.2 0.864 76.1 6.2 -74.9 -36.3 -12.4 38.6 31.9 70 154 A A E -a 210 0A 43 139,-0.9 141,-3.0 2,-0.0 2,-0.4 -0.943 59.8-143.3-141.4 161.4 -14.2 35.2 31.9 71 155 A T E -a 211 0A 80 -2,-0.3 2,-0.4 139,-0.2 141,-0.2 -0.998 24.6-178.8-124.9 126.0 -17.4 33.5 33.1 72 156 A V E -a 212 0A 24 139,-2.9 141,-2.0 -2,-0.4 2,-0.5 -0.970 30.2-115.4-127.4 140.7 -17.2 29.9 34.4 73 157 A N >> - 0 0 54 -2,-0.4 3,-1.9 139,-0.2 4,-0.6 -0.639 17.2-146.3 -73.2 122.7 -19.8 27.5 35.8 74 158 A A G >4>S+ 0 0 12 139,-3.2 5,-2.4 -2,-0.5 3,-1.4 0.880 97.2 64.0 -50.2 -43.2 -19.2 26.7 39.4 75 159 A S G 345S+ 0 0 103 138,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.599 101.4 51.5 -61.0 -13.0 -20.5 23.2 38.9 76 160 A E G <45S+ 0 0 145 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.591 111.7 42.1-105.6 -11.4 -17.6 22.5 36.5 77 161 A I T <<5S- 0 0 19 -3,-1.4 -2,-0.2 -4,-0.6 18,-0.1 0.112 114.9-107.4-118.0 17.5 -14.8 23.5 38.7 78 162 A G T 5S+ 0 0 55 -4,-0.3 2,-0.3 1,-0.2 -3,-0.2 0.830 73.8 137.9 67.8 37.4 -16.2 21.9 41.9 79 163 A X < - 0 0 7 -5,-2.4 2,-0.3 -6,-0.1 9,-0.2 -0.842 31.8-179.0-121.6 150.6 -17.1 25.2 43.5 80 164 A Q - 0 0 97 7,-3.0 3,-0.4 -2,-0.3 2,-0.3 -0.989 25.0-126.1-140.8 145.4 -20.1 26.6 45.5 81 165 A W S S+ 0 0 46 -2,-0.3 7,-0.0 1,-0.2 4,-0.0 -0.723 86.5 6.8 -90.6 142.7 -20.6 30.1 46.9 82 166 A G S S+ 0 0 48 -2,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.462 94.5 106.6 76.4 3.9 -21.5 30.7 50.6 83 167 A Q S S- 0 0 121 1,-0.4 4,-0.2 -3,-0.4 3,-0.1 0.098 93.2 -78.0-101.0 20.6 -21.0 27.0 51.6 84 168 A G >> - 0 0 42 1,-0.1 3,-0.9 2,-0.1 4,-0.7 -0.082 52.7 -74.1 100.4 158.0 -17.7 27.6 53.5 85 169 A N G >4>S+ 0 0 106 1,-0.2 5,-1.8 2,-0.2 3,-1.0 0.856 121.9 64.2 -59.3 -36.2 -14.1 28.0 52.3 86 170 A X G 345S+ 0 0 134 1,-0.3 -1,-0.2 3,-0.2 -2,-0.1 0.864 112.8 34.3 -59.2 -36.6 -13.5 24.4 51.3 87 171 A K G <45S+ 0 0 91 -3,-0.9 -7,-3.0 -4,-0.2 -1,-0.3 0.477 132.1 31.2 -97.0 -1.8 -16.2 24.5 48.6 88 172 A Q T 5S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 -3,-0.2 0.898 120.2 51.1 -58.8 -48.5 -11.9 29.5 48.0 90 174 A X H > S+ 0 0 19 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.863 113.4 54.2 -63.1 -30.2 -11.6 24.9 44.5 92 176 A W H X S+ 0 0 4 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.947 109.2 47.0 -62.9 -46.4 -11.1 28.4 43.1 93 177 A E H X S+ 0 0 49 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.897 112.3 49.1 -64.1 -41.7 -7.4 28.3 44.0 94 178 A D H X S+ 0 0 65 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.872 109.0 53.5 -63.8 -36.5 -7.0 24.8 42.4 95 179 A Y H >X S+ 0 0 68 -4,-2.0 4,-0.5 2,-0.2 3,-0.5 0.953 107.9 48.8 -67.1 -45.8 -8.7 25.9 39.3 96 180 A V H >X S+ 0 0 8 -4,-2.4 3,-1.6 1,-0.2 4,-0.7 0.916 106.9 59.6 -54.3 -43.2 -6.4 28.8 38.8 97 181 A G H >< S+ 0 0 18 -4,-2.0 3,-0.7 1,-0.3 -1,-0.2 0.832 98.2 56.6 -54.0 -39.1 -3.5 26.4 39.4 98 182 A K H << S+ 0 0 143 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.630 108.2 49.0 -67.4 -16.2 -4.5 24.2 36.4 99 183 A S H << S+ 0 0 88 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.520 104.4 68.8-102.7 -10.4 -4.2 27.3 34.2 100 184 A L S << S- 0 0 51 -3,-0.7 5,-0.1 -4,-0.7 17,-0.0 -0.570 102.0 -69.0-102.8 167.3 -0.8 28.4 35.5 101 185 A P > - 0 0 43 0, 0.0 3,-2.5 0, 0.0 4,-0.3 -0.288 43.5-116.6 -60.0 143.4 2.6 26.6 34.9 102 186 A A T 3 S+ 0 0 84 1,-0.3 3,-0.2 2,-0.1 -5,-0.0 0.622 114.2 50.5 -52.6 -18.4 3.1 23.3 36.6 103 187 A D T 3 S+ 0 0 7 1,-0.1 -1,-0.3 186,-0.1 15,-0.1 0.439 90.0 86.1 -96.1 -1.1 6.0 24.7 38.7 104 188 A A < + 0 0 1 -3,-2.5 12,-2.3 -7,-0.2 2,-0.2 0.689 52.9 107.7 -84.5 -22.6 4.1 27.8 40.0 105 189 A R B -B 115 0A 79 -4,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.395 57.2-145.8 -69.3 124.6 2.3 26.7 43.1 106 190 A L - 0 0 7 8,-3.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.499 33.0 -83.7 -83.5 153.6 3.7 28.1 46.3 107 191 A P > - 0 0 31 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.193 46.5-104.0 -53.1 150.1 3.6 26.1 49.6 108 192 A K T 3 S+ 0 0 99 1,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.850 117.8 39.9 -44.3 -52.3 0.4 26.4 51.7 109 193 A N T 3 S+ 0 0 119 2,-0.1 -1,-0.3 53,-0.0 2,-0.1 0.298 80.5 132.0 -89.8 12.4 1.6 28.8 54.3 110 194 A F < - 0 0 10 -3,-2.1 2,-0.2 1,-0.1 -4,-0.1 -0.408 65.8-105.8 -62.2 139.1 3.6 31.0 52.0 111 195 A K S S- 0 0 50 1,-0.1 2,-2.6 -2,-0.1 -1,-0.1 -0.481 75.4 -26.3 -76.9 134.6 2.8 34.6 52.8 112 196 A I S S+ 0 0 46 -2,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.269 115.6 73.3 71.5 -59.8 0.5 36.7 50.4 113 197 A F - 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0 0 129 -2,-0.3 3,-1.7 -24,-0.2 -24,-0.2 -0.447 36.8-122.0 -63.8 146.5 32.3 28.3 63.2 257 44 B P T 3 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -25,-0.1 0.725 113.7 52.5 -68.5 -16.6 30.2 31.2 64.3 258 45 B D T 3 S+ 0 0 124 -25,-0.0 -2,-0.1 2,-0.0 -26,-0.0 0.124 80.0 150.5 -99.9 18.6 33.4 33.2 65.0 259 46 B V < - 0 0 20 -3,-1.7 -4,-0.0 1,-0.1 5,-0.0 -0.231 51.6-104.5 -57.7 135.3 34.8 32.5 61.5 260 47 B D > - 0 0 84 1,-0.1 4,-1.9 4,-0.1 5,-0.2 -0.124 27.9-110.9 -58.1 157.1 37.2 35.2 60.1 261 48 B D H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 107,-0.3 0.887 113.7 53.0 -58.4 -41.9 36.0 37.6 57.4 262 49 B K H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.930 110.5 43.1 -63.8 -51.1 38.3 36.2 54.8 263 50 B S H > S+ 0 0 36 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.898 114.4 52.2 -60.6 -42.4 37.3 32.5 55.1 264 51 B L H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.903 110.0 48.6 -62.2 -43.4 33.6 33.5 55.3 265 52 B G H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.909 109.8 52.0 -61.0 -45.7 33.9 35.5 52.2 266 53 B E H X S+ 0 0 78 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.919 110.8 47.9 -57.6 -44.6 35.6 32.6 50.4 267 54 B E H X S+ 0 0 57 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.902 109.4 53.2 -65.4 -38.7 32.8 30.3 51.4 268 55 B I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.914 109.6 48.0 -63.6 -43.0 30.1 32.8 50.2 269 56 B L H X S+ 0 0 38 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.942 111.0 51.5 -60.2 -46.2 31.7 33.1 46.8 270 57 B Q H X S+ 0 0 112 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.891 112.0 46.3 -56.5 -44.4 32.0 29.2 46.5 271 58 B A H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 4,-0.5 0.892 111.9 51.7 -63.1 -43.7 28.3 28.9 47.4 272 59 B L H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 -49,-0.3 0.897 101.4 60.8 -62.6 -40.2 27.4 31.7 45.0 273 60 B S H 3< S+ 0 0 61 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.744 105.4 49.0 -60.1 -25.4 29.3 29.9 42.1 274 61 B D T << S+ 0 0 44 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.506 77.5 120.6 -93.3 -9.2 27.0 26.9 42.4 275 62 B S < - 0 0 3 -3,-1.4 2,-0.3 -4,-0.5 -36,-0.2 -0.392 54.7-148.5 -59.2 124.8 23.8 28.7 42.3 276 63 B R - 0 0 78 -2,-0.2 -36,-2.1 -53,-0.1 2,-0.7 -0.706 14.5-138.5-103.7 151.1 21.9 27.4 39.3 277 64 B T B -m 240 0B 46 -2,-0.3 2,-1.3 -38,-0.2 -36,-0.2 -0.929 15.3-151.4-102.5 113.0 19.4 29.0 36.9 278 65 B L + 0 0 5 -38,-2.6 6,-0.1 -2,-0.7 -2,-0.0 -0.700 25.6 171.6 -83.8 92.5 16.6 26.4 36.2 279 66 B D + 0 0 109 -2,-1.3 2,-0.3 4,-0.1 -1,-0.2 0.768 48.5 61.7 -87.0 -29.0 15.8 27.7 32.8 280 67 B V S >> S- 0 0 60 1,-0.1 4,-1.4 -161,-0.0 3,-0.7 -0.777 81.3-120.9-104.0 149.0 13.4 25.1 31.4 281 68 B L H >> S+ 0 0 86 -2,-0.3 4,-2.6 1,-0.2 3,-0.6 0.894 107.7 57.9 -43.7 -58.2 10.0 24.1 32.8 282 69 B E H 3> S+ 0 0 147 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.841 106.7 49.5 -46.8 -42.9 10.8 20.4 33.4 283 70 B E H <> S+ 0 0 76 -3,-0.7 4,-2.4 1,-0.2 -1,-0.3 0.890 112.1 47.2 -66.5 -39.5 13.7 21.3 35.7 284 71 B R H < S+ 0 0 75 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.956 117.4 50.9 -63.7 -50.0 11.0 18.6 39.7 287 74 B F H 3< S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.855 118.6 35.8 -60.7 -37.0 13.0 21.1 41.7 288 75 B F H 3< S+ 0 0 8 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.372 79.1 142.1-100.9 7.0 10.0 22.9 43.2 289 76 B D 4 S+ 0 0 76 1,-0.2 3,-1.8 2,-0.1 4,-0.3 0.982 101.5 66.0 -72.4 -60.3 6.0 16.9 48.2 292 79 B K T 34 S+ 0 0 80 1,-0.3 4,-0.4 2,-0.1 3,-0.3 0.539 93.7 60.5 -45.6 -22.9 9.5 15.5 47.3 293 80 B S T 3X S+ 0 0 65 -4,-0.6 4,-1.2 -3,-0.3 -1,-0.3 0.723 84.7 73.3 -83.7 -23.7 11.6 17.9 49.5 294 81 B K H <> S+ 0 0 107 -3,-1.8 4,-1.5 -4,-0.3 -1,-0.2 0.736 86.6 61.0 -70.7 -29.7 10.4 17.1 53.0 295 82 B E H 4 S+ 0 0 83 -3,-0.3 4,-0.5 -4,-0.3 -1,-0.2 0.953 112.8 29.6 -67.7 -49.6 12.1 13.7 53.6 296 83 B Q H > S+ 0 0 78 -4,-0.4 4,-1.0 2,-0.2 3,-0.3 0.885 118.5 58.9 -70.6 -41.2 15.8 14.5 53.3 297 84 B Y H >X S+ 0 0 47 -4,-1.2 3,-1.8 1,-0.3 4,-1.3 0.953 105.8 45.3 -52.3 -65.1 15.4 18.1 54.5 298 85 B A H 3X S+ 0 0 59 -4,-1.5 4,-0.6 1,-0.3 -1,-0.3 0.681 111.6 55.5 -58.9 -20.5 13.8 17.1 57.9 299 86 B A H 3> S+ 0 0 54 -4,-0.5 4,-0.8 -3,-0.3 -1,-0.3 0.632 100.9 57.0 -86.9 -18.6 16.6 14.5 58.2 300 87 B W H S+ 0 0 43 -4,-2.7 4,-1.6 2,-0.2 5,-1.5 0.950 117.9 45.4 -62.2 -52.9 20.4 18.8 66.2 306 93 B E H <5S+ 0 0 86 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.895 115.3 47.6 -60.8 -41.9 22.7 15.9 66.9 307 94 B K H <5S+ 0 0 124 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.863 124.6 29.1 -67.3 -36.7 25.8 17.7 65.8 308 95 B Y H <5S- 0 0 46 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.340 109.4-111.0-114.7 5.0 25.1 20.9 67.7 309 96 B G T <5 + 0 0 68 -4,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.848 55.6 157.9 72.4 38.6 23.1 19.6 70.7 310 97 B Y < - 0 0 33 -5,-1.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.843 28.1-160.3 -93.6 132.9 19.6 20.9 70.1 311 98 B R S S+ 0 0 234 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.768 72.1 14.3 -84.7 -28.7 16.9 19.0 71.8 312 99 B T S > S- 0 0 71 1,-0.1 4,-1.7 -7,-0.1 3,-0.4 -0.926 77.9-107.8-140.2 164.1 13.9 20.1 69.7 313 100 B K H > S+ 0 0 101 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.879 118.8 59.9 -57.1 -40.9 13.3 21.9 66.3 314 101 B R H > S+ 0 0 151 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.850 103.2 50.4 -58.8 -37.8 12.2 25.0 68.3 315 102 B A H 4 S+ 0 0 28 -3,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.928 110.1 50.3 -66.7 -46.1 15.6 25.2 70.0 316 103 B L H < S+ 0 0 1 -4,-1.7 -2,-0.2 1,-0.2 3,-0.2 0.897 121.1 32.8 -54.5 -42.9 17.4 25.0 66.6 317 104 B F H >< S+ 0 0 9 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.683 92.3 85.2 -95.8 -20.7 15.4 27.7 65.0 318 105 B K T 3< S+ 0 0 102 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.759 104.7 28.2 -64.9 -28.8 14.4 30.2 67.7 319 106 B N T 3 S+ 0 0 97 -4,-0.5 2,-0.7 -3,-0.2 -1,-0.3 -0.038 90.5 129.5-117.3 32.7 17.6 32.3 67.5 320 107 B X < - 0 0 9 -3,-1.9 2,-0.3 22,-0.2 -91,-0.2 -0.784 39.6-163.0 -91.2 114.3 18.4 31.6 63.9 321 108 B K E -I 228 0B 111 -93,-2.9 -93,-2.7 -2,-0.7 2,-0.4 -0.652 4.6-151.4 -85.4 152.3 19.1 34.7 61.7 322 109 B K E -I 227 0B 3 -2,-0.3 15,-0.7 -95,-0.2 2,-0.4 -0.992 10.8-174.4-121.8 134.6 19.0 34.5 57.9 323 110 B V E -IN 226 336B 3 -97,-2.8 -97,-2.7 -2,-0.4 2,-0.3 -0.981 14.6-146.3-127.1 125.3 21.0 36.7 55.6 324 111 B G E -IN 225 335B 0 11,-2.4 11,-3.0 -2,-0.4 2,-0.4 -0.654 9.0-163.5 -89.5 138.6 20.4 36.6 51.8 325 112 B I E -IN 224 334B 0 -101,-3.1 -101,-2.3 -2,-0.3 2,-0.4 -0.974 8.5-179.2-120.4 137.1 23.2 37.1 49.3 326 113 B H E -IN 223 333B 18 7,-1.6 7,-2.9 -2,-0.4 2,-0.4 -0.999 5.5-170.7-140.1 132.3 22.6 37.9 45.6 327 114 B L E +IN 222 332B 2 -105,-2.6 -105,-2.8 -2,-0.4 2,-0.3 -0.989 16.2 152.5-125.6 128.4 25.0 38.4 42.8 328 115 B V E > - N 0 331B 33 3,-1.5 3,-2.3 -2,-0.4 2,-0.2 -0.955 66.7 -32.6-149.4 136.3 24.3 39.7 39.3 329 116 B N T 3 S- 0 0 82 -112,-0.5 -113,-0.1 -109,-0.4 -109,-0.0 -0.380 126.7 -21.3 58.7-124.0 26.6 41.5 37.0 330 117 B D T 3 S+ 0 0 126 -2,-0.2 30,-2.9 29,-0.1 2,-0.6 0.429 116.7 91.9 -95.9 -1.3 28.8 43.7 39.1 331 118 B V E < -NO 328 359B 61 -3,-2.3 -3,-1.5 28,-0.2 2,-0.6 -0.867 47.1-170.0-118.7 117.3 26.8 43.9 42.3 332 119 B I E -NO 327 358B 0 26,-2.5 26,-2.9 -2,-0.6 2,-0.5 -0.885 18.5-165.8 -93.3 124.2 26.7 41.7 45.4 333 120 B T E -NO 326 357B 29 -7,-2.9 -7,-1.6 -2,-0.6 2,-0.6 -0.955 6.3-158.5-119.1 124.3 23.7 42.6 47.6 334 121 B I E -NO 325 356B 0 22,-3.3 22,-2.2 -2,-0.5 -9,-0.2 -0.891 9.3-165.9-109.2 119.0 23.3 41.5 51.2 335 122 B R E -N 324 0B 10 -11,-3.0 -11,-2.4 -2,-0.6 20,-0.1 -0.892 8.8-153.5-110.2 116.6 19.8 41.4 52.7 336 123 B P E -N 323 0B 6 0, 0.0 2,-0.3 0, 0.0 -13,-0.2 -0.411 20.9-152.4 -70.9 163.1 19.1 41.1 56.4 337 124 B S - 0 0 23 -15,-0.7 2,-0.6 -2,-0.1 -15,-0.2 -0.927 14.9-117.2-137.4 159.6 15.7 39.5 57.2 338 125 B F E -P 346 0B 86 8,-3.0 8,-2.3 -2,-0.3 2,-1.2 -0.886 26.4-129.5-102.0 121.5 13.2 39.7 60.0 339 126 B H E +P 345 0B 57 -2,-0.6 6,-0.2 6,-0.2 3,-0.1 -0.592 40.9 164.9 -72.5 99.4 12.6 36.4 61.8 340 127 B E E + 0 0 70 -2,-1.2 2,-0.3 4,-1.1 -1,-0.2 0.886 59.7 4.6 -89.7 -47.1 8.8 36.3 61.6 341 128 B K E > S-P 344 0B 121 3,-1.6 3,-2.0 1,-0.1 -1,-0.2 -0.862 91.8 -84.1-132.9 169.1 8.0 32.7 62.4 342 129 B L T 3 S+ 0 0 68 1,-0.3 -22,-0.2 -2,-0.3 -1,-0.1 0.877 128.8 14.1 -40.6 -57.1 10.0 29.7 63.6 343 130 B E T 3 S+ 0 0 48 -3,-0.0 -180,-1.9 -180,-0.0 2,-0.4 -0.076 115.7 89.9-114.2 35.2 11.0 28.7 60.0 344 131 B A E < -GP 162 341B 0 -3,-2.0 -3,-1.6 -182,-0.2 -4,-1.1 -0.996 46.0-178.2-132.9 136.6 10.0 31.9 58.2 345 132 B W E +GP 161 339B 8 -184,-2.1 -184,-2.7 -2,-0.4 2,-0.2 -0.981 11.6 178.6-127.7 143.4 11.9 35.1 57.5 346 133 B S E -GP 160 338B 0 -8,-2.3 -8,-3.0 -2,-0.4 -186,-0.2 -0.758 42.9-110.0-133.1-179.7 10.5 38.2 55.8 347 134 B G > + 0 0 1 -188,-1.4 3,-2.2 -2,-0.2 -187,-0.1 0.241 62.1 147.6 -96.7 11.4 11.4 41.7 54.7 348 135 B N T 3 S- 0 0 84 1,-0.3 -2,-0.1 -189,-0.3 3,-0.1 -0.260 78.9 -5.0 -50.4 122.6 9.2 43.2 57.3 349 136 B R T 3 S+ 0 0 78 1,-0.2 2,-0.5 -11,-0.0 -1,-0.3 0.491 106.5 122.9 61.4 5.6 10.6 46.5 58.5 350 137 B I < - 0 0 14 -3,-2.2 2,-0.3 -12,-0.0 -1,-0.2 -0.837 43.5-168.6 -89.8 131.6 13.7 45.9 56.3 351 138 B N > - 0 0 87 -2,-0.5 3,-2.3 -3,-0.1 4,-0.4 -0.828 36.4-109.0-117.7 159.9 14.4 48.7 53.8 352 139 B E G > S+ 0 0 159 1,-0.3 3,-1.7 -2,-0.3 -1,-0.1 0.827 117.8 64.1 -55.0 -33.4 16.7 48.8 50.8 353 140 B S G 3 S+ 0 0 94 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.702 95.8 59.0 -62.9 -21.3 18.9 51.2 52.7 354 141 B D G < S+ 0 0 48 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.532 85.7 100.2 -87.3 -8.1 19.5 48.4 55.2 355 142 B Y S < S- 0 0 42 -3,-1.7 2,-0.6 -4,-0.4 -20,-0.2 -0.529 73.9-131.6 -74.3 142.7 21.0 46.2 52.5 356 143 B V E -O 334 0B 13 -22,-2.2 -22,-3.3 -2,-0.2 2,-0.5 -0.883 25.2-163.2 -93.6 124.0 24.8 46.0 52.3 357 144 B V E +O 333 0B 89 -2,-0.6 -24,-0.2 -24,-0.2 -26,-0.0 -0.944 12.7 172.1-115.3 127.1 25.9 46.6 48.7 358 145 B L E -O 332 0B 25 -26,-2.9 -26,-2.5 -2,-0.5 2,-0.2 -0.916 37.3-107.8-126.5 152.5 29.3 45.7 47.4 359 146 B P E > -O 331 0B 69 0, 0.0 3,-1.4 0, 0.0 -28,-0.2 -0.571 32.1-125.6 -72.4 149.5 31.0 45.5 44.0 360 147 B A T 3 S+ 0 0 29 -30,-2.9 -29,-0.1 1,-0.3 -30,-0.1 0.667 107.0 70.1 -74.1 -17.2 31.6 41.9 43.0 361 148 B D T 3 S+ 0 0 137 -31,-0.3 -1,-0.3 2,-0.0 -30,-0.1 0.569 75.5 126.3 -69.5 -12.7 35.3 42.5 42.5 362 149 B S < - 0 0 7 -3,-1.4 -4,-0.0 1,-0.1 0, 0.0 -0.116 68.3-108.0 -52.0 141.9 35.5 42.8 46.3 363 150 B S > - 0 0 42 1,-0.1 4,-2.1 4,-0.0 3,-0.5 -0.301 29.9-107.1 -65.3 155.2 38.0 40.6 48.0 364 151 B P H > S+ 0 0 38 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.881 121.7 58.6 -47.1 -40.7 36.7 37.6 50.1 365 152 B T H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.895 105.9 45.8 -59.9 -43.2 37.7 39.7 53.2 366 153 B E H > S+ 0 0 103 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.890 110.6 53.4 -69.5 -38.2 35.4 42.6 52.2 367 154 B I H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.902 111.1 45.8 -63.3 -41.2 32.5 40.3 51.4 368 155 B G H X S+ 0 0 0 -4,-2.2 4,-2.1 -107,-0.3 -1,-0.2 0.899 111.6 51.8 -68.9 -41.1 32.7 38.6 54.8 369 156 B S H X S+ 0 0 57 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.876 107.7 53.7 -59.6 -39.3 33.0 41.9 56.5 370 157 B G H X S+ 0 0 6 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.869 105.4 52.9 -64.1 -38.9 29.9 43.0 54.6 371 158 B L H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.921 107.3 52.1 -60.4 -45.2 28.0 40.0 55.9 372 159 B R H X S+ 0 0 69 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.871 108.4 50.7 -59.0 -39.7 29.0 40.9 59.5 373 160 B L H < S+ 0 0 81 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.833 107.5 54.5 -66.5 -33.7 27.6 44.4 58.9 374 161 B A H >< S+ 0 0 0 -4,-1.6 3,-1.7 1,-0.2 -2,-0.2 0.875 101.3 57.6 -67.6 -38.5 24.4 42.9 57.6 375 162 B L H 3< S+ 0 0 28 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.753 97.9 62.3 -63.9 -25.5 23.9 40.8 60.8 376 163 B S T 3< 0 0 106 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.482 360.0 360.0 -76.8 -3.7 24.0 44.1 62.9 377 164 B R < 0 0 123 -3,-1.7 -1,-0.2 -4,-0.1 -2,-0.2 0.209 360.0 360.0-120.4 360.0 20.9 45.2 61.0