==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 08-OCT-08 3ETX . COMPND 2 MOLECULE: ADHESIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSOBACTERIUM NUCLEATUM; . AUTHOR S.NITHIANANTHAM,M.XU,N.WU,M.SHOHAM,Y.W.HAN . 319 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24588.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 96.9 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 . 0 0.0 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 276 86.5 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 6 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A A 0 0 162 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 58.0 0.2 -14.8 53.4 2 6 A S >> + 0 0 80 1,-0.0 3,-1.9 2,-0.0 4,-1.0 -0.229 360.0 148.6-144.7 42.0 -0.6 -17.1 50.5 3 7 A L H 3> + 0 0 117 1,-0.3 4,-1.2 2,-0.2 -1,-0.0 0.705 64.8 68.9 -53.0 -25.1 2.9 -18.5 49.6 4 8 A V H 3> S+ 0 0 105 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.792 98.5 49.0 -69.6 -28.1 1.3 -21.8 48.5 5 9 A G H X> S+ 0 0 34 -3,-1.9 4,-1.4 2,-0.2 3,-0.6 0.969 106.3 52.9 -74.2 -54.1 -0.3 -20.2 45.5 6 10 A E H 3X S+ 0 0 135 -4,-1.0 4,-2.1 1,-0.3 -2,-0.2 0.781 107.9 53.8 -51.1 -34.3 2.7 -18.4 44.1 7 11 A L H 3X S+ 0 0 109 -4,-1.2 4,-1.8 2,-0.2 -1,-0.3 0.881 106.2 49.4 -71.7 -40.1 4.8 -21.6 44.2 8 12 A Q H X S+ 0 0 92 -4,-2.2 4,-2.9 2,-0.2 3,-0.7 0.975 112.5 52.0 -63.7 -58.2 6.0 -24.8 30.3 17 21 A L H 3X S+ 0 0 120 -4,-3.2 4,-2.2 1,-0.3 -1,-0.2 0.819 109.5 52.4 -49.3 -36.4 9.3 -22.8 29.9 18 22 A A H 3X S+ 0 0 45 -4,-1.5 4,-1.6 -5,-0.4 -1,-0.3 0.884 111.9 45.1 -69.7 -38.2 11.1 -26.1 30.0 19 23 A N H X S+ 0 0 61 -4,-2.1 4,-2.8 1,-0.2 3,-0.8 0.958 109.7 50.9 -62.2 -49.0 17.8 -29.5 6.6 35 39 A A H 3X S+ 0 0 12 -4,-2.4 4,-2.4 1,-0.3 -1,-0.2 0.804 104.4 59.0 -56.9 -32.4 20.6 -27.1 5.8 36 40 A R H 3X S+ 0 0 91 -4,-1.4 4,-0.9 2,-0.2 -1,-0.3 0.842 112.4 38.5 -67.3 -35.0 23.1 -30.0 6.0 37 41 A Q H X S+ 0 0 110 -4,-1.6 4,-2.5 2,-0.2 3,-0.7 0.970 113.8 43.9 -65.9 -55.9 23.0 -30.6 -3.1 42 46 A N H 3X S+ 0 0 24 -4,-2.1 4,-2.5 1,-0.3 5,-0.2 0.809 105.9 65.1 -60.1 -28.2 24.5 -27.2 -3.7 43 47 A E H 3X S+ 0 0 86 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.3 0.920 110.9 35.0 -59.5 -45.0 27.9 -28.7 -3.0 44 48 A Q H X S+ 0 0 125 -4,-5.0 4,-2.6 1,-0.2 3,-0.6 0.961 109.9 54.4 -59.5 -51.3 30.9 -25.9 -17.0 53 57 A A H 3X S+ 0 0 8 -4,-3.2 4,-1.8 -5,-0.3 -1,-0.2 0.815 107.8 48.2 -54.1 -38.0 31.7 -22.2 -16.4 54 58 A Q H 3< S+ 0 0 119 -4,-1.3 4,-0.3 2,-0.2 -1,-0.3 0.825 112.0 51.2 -73.0 -30.6 35.5 -22.7 -16.7 55 59 A R H XX S+ 0 0 136 -4,-1.5 4,-2.8 -3,-0.6 3,-1.2 0.951 109.2 49.0 -67.5 -54.2 35.0 -24.8 -19.9 56 60 A L H 3X S+ 0 0 11 -4,-2.6 4,-2.7 1,-0.3 -2,-0.2 0.925 113.4 46.8 -50.4 -52.0 32.9 -22.1 -21.6 57 61 A Q H 3< S+ 0 0 97 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.3 0.613 113.1 51.9 -70.9 -10.0 35.4 -19.5 -20.7 58 62 A A H <4 S+ 0 0 71 -3,-1.2 3,-0.4 -4,-0.3 -2,-0.2 0.895 116.7 34.2 -91.1 -46.6 38.2 -21.7 -21.9 59 63 A E H >X S+ 0 0 43 -4,-2.8 3,-3.3 1,-0.2 4,-0.7 0.913 97.4 89.4 -71.4 -44.4 36.8 -22.6 -25.4 60 64 A A G >< S+ 0 0 0 -4,-2.7 3,-1.0 -5,-0.3 -1,-0.2 0.647 78.4 59.8 -19.3 -53.5 35.2 -19.2 -25.9 61 65 A N G 34 S+ 0 0 107 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.783 116.4 30.8 -58.7 -30.6 38.2 -17.6 -27.5 62 66 A T G <4 S+ 0 0 105 -3,-3.3 -1,-0.3 -4,-0.2 -2,-0.2 0.343 94.5 112.9-110.6 4.8 38.4 -20.0 -30.4 63 67 A R S X< S- 0 0 94 -3,-1.0 3,-1.0 -4,-0.7 4,-0.1 -0.402 73.4-128.1 -72.8 154.1 34.6 -20.7 -30.6 64 68 A F T 3 S+ 0 0 206 1,-0.3 2,-0.7 2,-0.1 3,-0.3 0.936 115.1 46.3 -66.1 -42.5 32.8 -19.5 -33.7 65 69 A Y T 3> S+ 0 0 155 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 -0.333 72.2 153.2 -94.9 52.4 30.4 -17.9 -31.3 66 70 A K H X> S+ 0 0 77 -3,-1.0 4,-3.0 -2,-0.7 3,-0.6 0.926 71.7 50.9 -41.4 -62.1 33.1 -16.4 -29.0 67 71 A S H 3> S+ 0 0 78 -3,-0.3 4,-2.2 1,-0.3 -1,-0.2 0.856 110.0 47.2 -44.8 -52.9 30.7 -13.6 -27.8 68 72 A Q H 3> S+ 0 0 106 -3,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.812 114.3 50.2 -61.8 -34.2 27.8 -15.9 -26.9 69 73 A Y H X S+ 0 0 53 -4,-3.4 3,-2.0 1,-0.2 4,-1.9 0.986 115.8 39.7 -55.9 -67.1 28.0 -27.3 22.1 103 107 A L H 3< S+ 0 0 68 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.772 103.2 69.1 -61.1 -24.3 27.9 -24.5 24.6 104 108 A R T 3< S+ 0 0 109 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.438 121.6 18.2 -72.1 8.4 24.4 -25.5 25.8 105 109 A A T <4 0 0 90 -3,-2.0 -2,-0.2 -5,-0.1 -3,-0.1 0.471 360.0 360.0-136.5 -73.3 26.3 -28.4 27.2 106 110 A G < 0 0 109 -4,-1.9 -4,-0.1 -5,-0.2 -3,-0.0 -0.135 360.0 360.0 175.8 360.0 30.1 -28.1 27.6 107 !* 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 0.0 108 5 B A > 0 0 138 0, 0.0 3,-0.8 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -13.8 60.0 2.3 12.6 109 6 B S T >> + 0 0 85 1,-0.2 3,-2.7 2,-0.1 4,-1.8 0.543 360.0 95.4 -77.7 -11.6 56.4 3.7 12.1 110 7 B L H 3> S+ 0 0 106 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.736 74.9 64.7 -52.1 -25.5 55.0 0.2 12.8 111 8 B V H <> S+ 0 0 92 -3,-0.8 4,-1.0 2,-0.2 -1,-0.3 0.774 106.0 43.6 -70.4 -26.2 54.5 1.5 16.4 112 9 B G H <> S+ 0 0 31 -3,-2.7 4,-2.0 2,-0.2 3,-0.2 0.914 107.6 55.1 -83.1 -50.4 52.1 4.0 15.0 113 10 B E H X S+ 0 0 132 -4,-1.8 4,-2.1 1,-0.3 -2,-0.2 0.844 111.8 49.0 -50.8 -33.7 50.2 1.6 12.7 114 11 B L H X S+ 0 0 105 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.3 0.861 108.0 50.2 -74.7 -38.8 49.7 -0.5 15.8 115 12 B Q H X S+ 0 0 139 -4,-1.0 4,-1.4 -3,-0.2 -2,-0.2 0.730 111.1 52.8 -71.3 -20.3 48.5 2.4 17.9 116 13 B A H X S+ 0 0 45 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.929 107.9 48.7 -76.3 -49.4 46.1 3.1 15.0 117 14 B A H X S+ 0 0 48 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.844 110.3 52.8 -59.3 -35.1 44.8 -0.5 15.0 118 15 B D H X S+ 0 0 88 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.927 106.5 52.0 -67.6 -43.9 44.3 -0.3 18.8 119 16 B A H X S+ 0 0 58 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.958 113.2 45.1 -53.1 -54.7 42.2 2.9 18.5 120 17 B E H X S+ 0 0 133 -4,-2.3 4,-3.4 1,-0.2 5,-0.3 0.937 111.6 52.4 -54.5 -52.2 40.0 1.2 15.9 121 18 B Y H X S+ 0 0 162 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.853 108.9 49.8 -55.9 -37.7 39.8 -1.9 18.0 122 19 B Q H X S+ 0 0 92 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.914 116.9 41.2 -68.5 -41.2 38.7 0.1 21.1 123 20 B N H >X S+ 0 0 74 -4,-2.2 4,-2.9 -5,-0.2 3,-0.7 0.963 112.2 52.3 -69.8 -55.1 36.0 1.9 19.1 124 21 B L H 3X S+ 0 0 119 -4,-3.4 4,-2.4 1,-0.3 5,-0.2 0.839 108.9 52.6 -51.0 -37.5 34.7 -1.1 17.1 125 22 B A H 3X S+ 0 0 45 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.3 0.868 111.7 46.4 -68.0 -35.9 34.3 -3.0 20.3 126 23 B N H X S+ 0 0 95 -4,-1.6 4,-2.9 -3,-0.3 3,-1.2 0.971 109.2 52.5 -62.7 -57.1 -19.9 -13.8 18.4 163 60 B L H 3X S+ 0 0 17 -4,-1.9 4,-0.6 1,-0.3 -1,-0.2 0.878 114.0 45.3 -46.8 -41.8 -21.0 -11.0 16.1 164 61 B Q H 3< S+ 0 0 99 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.714 119.5 42.3 -76.0 -22.3 -20.6 -13.5 13.2 165 62 B A H X< S+ 0 0 57 -3,-1.2 3,-1.3 -4,-1.1 4,-0.2 0.945 116.6 42.8 -85.1 -63.5 -22.4 -16.1 15.2 166 63 B E H 3X S+ 0 0 62 -4,-2.9 4,-1.0 1,-0.3 -3,-0.2 0.494 82.1 103.3 -61.9 -5.9 -25.3 -14.1 16.8 167 64 B A T 3< S+ 0 0 2 -4,-0.6 3,-0.4 -5,-0.5 -1,-0.3 0.855 81.2 55.1 -45.6 -34.9 -25.8 -12.3 13.4 168 65 B N T <4 S+ 0 0 104 -3,-1.3 -1,-0.2 1,-0.2 5,-0.2 0.995 105.7 43.6 -61.4 -71.3 -28.8 -14.6 13.2 169 66 B T T 4 S+ 0 0 114 -4,-0.2 2,-0.3 4,-0.0 -1,-0.2 0.485 103.3 93.9 -57.3 -3.3 -30.7 -14.0 16.4 170 67 B R >< - 0 0 90 -4,-1.0 3,-0.7 -3,-0.4 6,-0.1 -0.697 69.2-141.6-100.2 146.9 -30.1 -10.2 15.8 171 68 B F T 3 S+ 0 0 196 -2,-0.3 2,-2.1 1,-0.2 3,-0.4 0.998 100.9 45.0 -62.7 -72.1 -32.3 -7.6 14.1 172 69 B Y T 3> S+ 0 0 151 1,-0.2 4,-1.6 2,-0.1 3,-0.3 -0.072 70.4 151.0 -69.4 40.1 -29.7 -5.5 12.3 173 70 B K H <> + 0 0 64 -2,-2.1 4,-2.3 -3,-0.7 -1,-0.2 0.733 67.2 62.1 -44.5 -28.2 -28.0 -8.7 11.1 174 71 B S H > S+ 0 0 87 -3,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.999 106.5 39.5 -62.0 -66.2 -27.0 -6.7 8.1 175 72 B Q H > S+ 0 0 109 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.681 113.4 59.6 -57.9 -21.4 -24.9 -4.1 10.0 176 73 B Y H X S+ 0 0 64 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.965 104.0 46.6 -71.6 -55.9 -23.6 -7.0 12.2 177 74 B Q H X S+ 0 0 95 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.828 113.7 52.6 -55.0 -31.5 -22.1 -9.0 9.3 178 75 B E H X S+ 0 0 142 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.937 112.6 41.2 -70.3 -48.9 -20.6 -5.7 8.2 179 76 B L H X S+ 0 0 78 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.868 112.9 55.5 -66.6 -38.0 -19.0 -4.9 11.5 180 77 B A H X S+ 0 0 2 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.837 109.6 47.5 -63.2 -33.9 -17.9 -8.5 12.0 181 78 B S H X S+ 0 0 55 -4,-1.2 4,-1.8 -5,-0.3 -1,-0.2 0.866 106.9 55.6 -76.0 -35.1 -16.2 -8.3 8.7 182 79 B K H X S+ 0 0 151 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.874 110.8 46.1 -63.2 -36.1 -14.5 -5.0 9.6 183 80 B Y H X S+ 0 0 49 -4,-2.0 4,-3.7 2,-0.2 -1,-0.2 0.862 106.4 59.0 -71.1 -38.8 -13.1 -6.8 12.7 184 81 B E H X S+ 0 0 89 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.876 109.9 43.4 -58.6 -37.6 -12.0 -9.7 10.6 185 82 B D H X S+ 0 0 91 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.910 114.9 47.3 -74.7 -45.0 -9.9 -7.3 8.5 186 83 B A H X S+ 0 0 42 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.932 109.5 56.0 -60.8 -44.3 -8.5 -5.5 11.5 187 84 B L H X S+ 0 0 8 -4,-3.7 4,-2.5 1,-0.2 -1,-0.2 0.876 106.9 49.2 -55.7 -41.6 -7.8 -8.9 13.1 188 85 B K H X S+ 0 0 107 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.909 109.7 51.3 -66.5 -41.9 -5.7 -9.9 10.1 189 86 B K H X S+ 0 0 154 -4,-2.0 4,-1.5 1,-0.2 3,-0.2 0.923 113.1 45.3 -60.2 -44.3 -3.7 -6.6 10.2 190 87 B L H X S+ 0 0 28 -4,-2.5 4,-2.8 1,-0.2 3,-0.2 0.914 107.7 57.8 -64.3 -44.0 -3.0 -7.2 13.9 191 88 B E H X S+ 0 0 64 -4,-2.5 4,-0.9 1,-0.3 -1,-0.2 0.809 108.7 47.5 -56.4 -31.0 -2.1 -10.8 13.3 192 89 B A H X S+ 0 0 58 -4,-1.4 4,-1.1 -3,-0.2 -1,-0.3 0.801 108.9 51.6 -80.6 -33.6 0.5 -9.6 10.8 193 90 B E H X S+ 0 0 107 -4,-1.5 4,-1.9 -3,-0.2 3,-0.5 0.916 108.6 53.2 -68.2 -42.6 1.9 -6.9 13.2 194 91 B M H X S+ 0 0 8 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.807 104.1 55.7 -61.4 -32.7 2.2 -9.7 15.8 195 92 B E H X S+ 0 0 93 -4,-0.9 4,-1.4 -5,-0.2 -1,-0.2 0.817 104.5 53.4 -71.2 -30.4 4.2 -11.8 13.4 196 93 B Q H X S+ 0 0 132 -4,-1.1 4,-2.5 -3,-0.5 3,-0.4 0.943 108.2 49.1 -68.7 -46.0 6.7 -9.1 12.9 197 94 B Q H X S+ 0 0 24 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.929 108.0 55.9 -57.3 -44.3 7.3 -8.7 16.6 198 95 B K H X S+ 0 0 71 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.820 109.8 44.8 -58.9 -33.7 7.7 -12.5 16.8 199 96 B A H X S+ 0 0 45 -4,-1.4 4,-2.2 -3,-0.4 -1,-0.2 0.919 111.0 52.2 -78.5 -42.6 10.5 -12.5 14.3 200 97 B V H X S+ 0 0 64 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.917 117.3 40.7 -56.2 -44.1 12.3 -9.5 15.8 201 98 B I H >X S+ 0 0 13 -4,-2.5 4,-2.9 2,-0.2 3,-0.6 0.967 115.3 46.9 -67.2 -59.9 12.2 -11.3 19.2 202 99 B S H 3X S+ 0 0 42 -4,-2.1 4,-1.2 1,-0.3 -1,-0.2 0.799 110.9 56.4 -55.0 -30.4 13.1 -14.8 18.1 203 100 B D H 3X S+ 0 0 113 -4,-2.2 4,-1.7 2,-0.2 -1,-0.3 0.886 108.3 45.4 -70.9 -38.0 15.8 -13.3 16.0 204 101 B F H < S+ 0 0 26 -4,-1.3 3,-0.6 -3,-0.2 -1,-0.2 0.855 113.0 38.7 -83.9 -37.3 25.3 -17.5 19.9 211 108 B R G >< S+ 0 0 68 -4,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.151 83.8 106.7 -98.0 21.2 27.5 -14.9 21.6 212 109 B A G 3 S+ 0 0 74 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.821 82.5 48.9 -66.3 -27.2 26.5 -16.3 25.0 213 110 B G G < 0 0 57 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.1 -0.178 360.0 360.0-106.0 41.9 30.1 -17.7 25.0 214 111 B N < 0 0 149 -3,-1.3 -1,-0.2 0, 0.0 -2,-0.1 -0.028 360.0 360.0-106.2 360.0 31.9 -14.5 24.0 215 !* 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 0.0 216 5 C A > 0 0 122 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 88.0 17.6 1.7 50.5 217 6 C S T >> + 0 0 89 1,-0.2 4,-1.6 2,-0.1 3,-0.7 0.483 360.0 80.5 -80.2 -4.0 18.2 -0.7 47.6 218 7 C L H 3> S+ 0 0 103 1,-0.2 4,-3.9 2,-0.2 5,-0.5 0.845 72.6 73.3 -69.6 -37.3 18.0 2.4 45.3 219 8 C V H <> S+ 0 0 86 -3,-0.7 4,-0.7 1,-0.2 -1,-0.2 0.790 107.0 39.2 -47.9 -28.5 21.6 3.3 46.1 220 9 C G H <> S+ 0 0 41 -3,-0.7 4,-1.8 2,-0.2 3,-0.4 0.943 115.4 46.5 -85.7 -59.8 22.4 0.4 43.9 221 10 C E H X S+ 0 0 125 -4,-1.6 4,-2.2 1,-0.3 -2,-0.2 0.803 114.9 51.4 -52.4 -34.1 19.8 0.7 41.1 222 11 C L H X S+ 0 0 113 -4,-3.9 4,-2.0 2,-0.2 -1,-0.3 0.856 107.7 48.6 -73.9 -38.7 20.7 4.4 40.9 223 12 C Q H X S+ 0 0 135 -4,-0.7 4,-1.6 -5,-0.5 -2,-0.2 0.754 111.7 53.7 -71.6 -21.8 24.4 3.9 40.5 224 13 C A H X S+ 0 0 44 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.944 107.4 48.8 -72.7 -51.4 23.5 1.3 37.9 225 14 C A H X S+ 0 0 48 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.870 110.4 52.7 -56.4 -39.2 21.4 3.9 36.0 226 15 C D H X S+ 0 0 88 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.914 105.9 51.9 -65.1 -44.2 24.3 6.3 36.2 227 16 C A H X S+ 0 0 60 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.934 113.2 46.0 -56.2 -47.7 26.8 3.9 34.7 228 17 C E H X S+ 0 0 137 -4,-2.1 4,-3.5 1,-0.2 5,-0.3 0.948 110.6 52.8 -59.6 -51.5 24.4 3.3 31.8 229 18 C Y H X S+ 0 0 161 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.829 108.9 49.7 -56.2 -35.0 23.8 7.0 31.4 230 19 C Q H X S+ 0 0 88 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.923 116.7 40.7 -71.5 -42.7 27.5 7.7 31.2 231 20 C N H X S+ 0 0 70 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.939 113.0 52.2 -69.8 -49.9 28.1 5.1 28.6 232 21 C L H X S+ 0 0 115 -4,-3.5 4,-2.4 1,-0.2 5,-0.2 0.856 109.5 52.5 -54.7 -38.3 25.0 5.7 26.5 233 22 C A H X S+ 0 0 45 -4,-1.4 4,-1.7 -5,-0.3 -1,-0.2 0.878 111.8 45.2 -65.9 -39.9 26.0 9.4 26.4 234 23 C N H X S+ 0 0 94 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.845 113.9 47.6 -74.4 -35.2 29.4 8.5 25.1 235 24 C Q H X S+ 0 0 25 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.927 111.5 50.8 -70.8 -44.1 28.2 5.9 22.6 236 25 C E H X S+ 0 0 93 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.918 112.9 46.2 -56.9 -45.8 25.6 8.3 21.2 237 26 C E H X S+ 0 0 107 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.840 112.5 50.7 -67.4 -33.2 28.2 11.0 20.8 238 27 C A H X S+ 0 0 25 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.868 109.0 50.9 -71.5 -39.2 30.6 8.5 19.2 239 28 C R H X S+ 0 0 133 -4,-2.8 4,-3.0 1,-0.2 3,-0.2 0.955 109.4 51.3 -62.2 -50.7 28.0 7.4 16.7 240 29 C F H X S+ 0 0 29 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.885 109.5 49.4 -55.0 -43.5 27.2 11.0 15.8 241 30 C N H X S+ 0 0 49 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.855 111.7 49.5 -66.0 -32.8 30.9 11.8 15.2 242 31 C E H X S+ 0 0 87 -4,-1.8 4,-2.5 -3,-0.2 -2,-0.2 0.955 109.6 50.1 -68.5 -49.6 31.2 8.7 13.0 243 32 C E H X S+ 0 0 56 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.845 113.6 47.4 -56.3 -36.0 28.1 9.7 11.0 244 33 C R H X S+ 0 0 97 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.861 107.3 54.8 -74.1 -39.0 29.7 13.1 10.6 245 34 C A H X S+ 0 0 52 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.914 110.6 47.3 -61.3 -40.4 33.1 11.7 9.6 246 35 C Q H X S+ 0 0 88 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.908 110.2 51.9 -66.3 -42.7 31.2 9.8 6.9 247 36 C A H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.856 109.6 49.3 -62.9 -37.0 29.3 12.8 5.7 248 37 C D H X S+ 0 0 70 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.839 109.9 51.3 -71.8 -32.3 32.5 14.9 5.4 249 38 C A H X S+ 0 0 60 -4,-1.6 4,-2.6 -5,-0.2 3,-0.2 0.891 109.4 50.1 -69.5 -39.9 34.2 12.2 3.4 250 39 C A H X S+ 0 0 13 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.849 105.3 58.4 -64.4 -36.6 31.1 12.0 1.1 251 40 C R H X S+ 0 0 90 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.853 112.4 39.8 -61.8 -36.7 31.4 15.8 0.7 252 41 C Q H X S+ 0 0 139 -4,-1.2 4,-1.8 -3,-0.2 -2,-0.2 0.866 115.8 49.6 -80.2 -41.7 35.0 15.4 -0.6 253 42 C A H X S+ 0 0 41 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.910 110.7 51.3 -64.5 -42.3 34.3 12.3 -2.7 254 43 C L H X S+ 0 0 15 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.936 105.8 54.0 -61.4 -45.1 31.3 14.1 -4.3 255 44 C A H X S+ 0 0 53 -4,-1.3 4,-0.8 1,-0.2 -1,-0.2 0.904 111.4 48.3 -53.5 -41.0 33.4 17.1 -5.2 256 45 C Q H X S+ 0 0 98 -4,-1.8 4,-1.7 2,-0.2 3,-0.3 0.878 109.1 50.9 -67.5 -41.7 35.7 14.6 -6.9 257 46 C N H X S+ 0 0 21 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.935 108.5 52.2 -64.6 -41.4 32.9 12.9 -8.7 258 47 C E H X S+ 0 0 90 -4,-3.1 4,-0.7 1,-0.2 -1,-0.2 0.717 106.6 54.0 -66.3 -20.1 31.6 16.3 -10.0 259 48 C Q H X S+ 0 0 90 -4,-0.8 4,-1.6 -3,-0.3 -1,-0.2 0.871 114.3 41.1 -78.1 -38.8 35.0 17.1 -11.3 260 49 C V H X S+ 0 0 38 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.855 108.8 57.8 -75.7 -40.8 35.0 13.8 -13.2 261 50 C Y H X S+ 0 0 68 -4,-3.3 4,-2.5 2,-0.2 -1,-0.2 0.826 106.7 53.3 -60.9 -29.8 31.4 14.1 -14.4 262 51 C N H X S+ 0 0 97 -4,-0.7 4,-1.4 -5,-0.2 5,-0.2 0.997 110.6 41.1 -67.4 -67.7 32.4 17.4 -16.0 263 52 C E H X S+ 0 0 112 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.858 122.6 44.3 -47.7 -41.2 35.4 16.2 -18.0 264 53 C L H X S+ 0 0 37 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.903 106.6 54.5 -73.9 -46.7 33.4 13.1 -19.0 265 54 C S H X S+ 0 0 42 -4,-2.5 4,-1.2 -5,-0.3 -1,-0.2 0.699 115.1 44.7 -63.0 -17.4 30.0 14.5 -19.8 266 55 C Q H X S+ 0 0 134 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.917 109.6 51.6 -87.4 -56.3 31.9 16.8 -22.2 267 56 C R H X S+ 0 0 135 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.755 110.9 54.1 -50.1 -26.8 34.1 14.1 -23.7 268 57 C A H X S+ 0 0 10 -4,-1.9 4,-2.0 2,-0.2 3,-0.3 0.976 108.0 44.4 -73.1 -57.7 30.9 12.2 -24.2 269 58 C Q H X S+ 0 0 130 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.810 110.6 58.1 -56.7 -31.7 29.0 15.0 -26.1 270 59 C R H X S+ 0 0 141 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.944 106.8 46.6 -64.1 -48.6 32.2 15.5 -28.2 271 60 C L H < S+ 0 0 15 -4,-1.4 4,-0.5 -3,-0.3 -2,-0.2 0.911 113.1 47.4 -60.0 -48.3 32.2 11.9 -29.4 272 61 C Q H >X S+ 0 0 91 -4,-2.0 3,-1.3 2,-0.2 4,-0.5 0.961 111.7 51.4 -58.4 -55.4 28.6 11.7 -30.3 273 62 C A H 3< S+ 0 0 65 -4,-2.1 3,-0.4 1,-0.3 4,-0.2 0.961 117.8 34.7 -45.8 -75.2 28.6 15.0 -32.2 274 63 C E T >X S+ 0 0 37 -4,-1.8 4,-0.9 1,-0.2 3,-0.6 0.372 93.9 100.5 -67.8 8.5 31.6 14.3 -34.4 275 64 C A G X4 S+ 0 0 0 -3,-1.3 3,-2.5 -4,-0.5 -1,-0.2 0.974 76.2 49.4 -54.9 -70.4 30.7 10.6 -34.8 276 65 C N G 3< S+ 0 0 97 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.1 0.601 112.8 53.8 -47.6 -16.0 29.1 10.4 -38.2 277 66 C T G <4 S+ 0 0 103 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.2 0.662 88.8 89.3 -96.9 -20.5 32.0 12.3 -39.5 278 67 C R S X< S- 0 0 94 -3,-2.5 3,-0.5 -4,-0.9 4,-0.1 -0.431 76.4-130.2 -77.9 154.0 34.9 10.1 -38.3 279 68 C F T 3 S+ 0 0 208 1,-0.3 2,-2.1 2,-0.1 3,-0.3 0.955 110.4 52.4 -65.7 -49.9 36.2 7.2 -40.4 280 69 C Y T 3> S+ 0 0 170 1,-0.2 4,-1.9 2,-0.1 -1,-0.3 -0.367 73.3 150.2 -82.5 60.8 35.9 4.8 -37.5 281 70 C K H <> + 0 0 79 -2,-2.1 4,-2.2 -3,-0.5 5,-0.3 0.891 62.4 57.9 -63.0 -41.3 32.3 5.9 -37.0 282 71 C S H > S+ 0 0 100 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.924 108.5 45.8 -56.3 -46.9 31.1 2.6 -35.5 283 72 C Q H > S+ 0 0 114 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.893 109.6 55.8 -63.4 -42.8 33.6 2.7 -32.7 284 73 C Y H X S+ 0 0 61 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.962 110.1 43.4 -54.7 -57.2 32.8 6.4 -31.9 285 74 C Q H X S+ 0 0 80 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.882 116.4 51.2 -55.8 -37.2 29.1 5.7 -31.4 286 75 C E H X S+ 0 0 133 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.945 112.3 42.5 -63.9 -53.4 30.1 2.6 -29.4 287 76 C L H X S+ 0 0 75 -4,-3.6 4,-1.9 1,-0.2 -2,-0.2 0.849 112.8 55.2 -62.6 -36.1 32.6 4.5 -27.1 288 77 C A H X S+ 0 0 6 -4,-3.0 4,-1.9 -5,-0.3 -1,-0.2 0.869 108.6 48.2 -65.2 -37.6 30.1 7.3 -26.8 289 78 C S H X S+ 0 0 62 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.888 107.4 55.2 -71.1 -36.2 27.5 4.8 -25.6 290 79 C K H X S+ 0 0 152 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.872 110.0 46.5 -63.4 -36.6 30.0 3.3 -23.2 291 80 C Y H X S+ 0 0 43 -4,-1.9 4,-3.6 2,-0.2 -1,-0.2 0.865 107.0 58.0 -71.4 -38.2 30.5 6.7 -21.6 292 81 C E H X S+ 0 0 94 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.895 110.4 43.4 -58.7 -39.8 26.8 7.3 -21.5 293 82 C D H X S+ 0 0 88 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.926 114.8 48.1 -72.2 -45.5 26.5 4.1 -19.4 294 83 C A H X S+ 0 0 38 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.928 109.6 55.2 -58.9 -44.0 29.4 5.0 -17.2 295 84 C L H X S+ 0 0 7 -4,-3.6 4,-2.3 1,-0.2 -1,-0.2 0.909 106.6 49.5 -55.7 -45.8 28.0 8.5 -16.8 296 85 C K H X S+ 0 0 107 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.923 109.2 51.9 -61.5 -44.2 24.7 7.0 -15.6 297 86 C K H X S+ 0 0 150 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.903 112.7 45.3 -58.3 -43.0 26.5 4.8 -13.0 298 87 C L H X S+ 0 0 22 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.858 107.4 57.8 -68.4 -38.0 28.4 7.8 -11.7 299 88 C E H X S+ 0 0 66 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.820 108.3 48.0 -61.6 -31.7 25.3 10.0 -11.6 300 89 C A H X S+ 0 0 56 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.860 109.1 51.5 -77.0 -38.7 23.8 7.3 -9.3 301 90 C E H X S+ 0 0 106 -4,-1.6 4,-2.1 1,-0.2 3,-0.2 0.922 108.3 53.4 -64.6 -42.9 26.8 7.2 -7.1 302 91 C M H X S+ 0 0 14 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.835 104.7 54.9 -60.7 -34.6 26.7 11.0 -6.8 303 92 C E H X S+ 0 0 98 -4,-1.1 4,-1.8 2,-0.2 -1,-0.2 0.876 106.1 50.8 -67.3 -38.5 23.1 10.8 -5.7 304 93 C Q H X S+ 0 0 136 -4,-1.6 4,-1.7 -3,-0.2 -2,-0.2 0.941 110.2 51.7 -63.0 -44.6 23.9 8.5 -2.9 305 94 C Q H X S+ 0 0 20 -4,-2.1 4,-2.1 1,-0.2 3,-0.2 0.911 109.9 46.8 -57.7 -46.9 26.6 10.9 -1.8 306 95 C K H X S+ 0 0 85 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.832 109.0 55.4 -68.5 -30.2 24.3 13.9 -1.7 307 96 C A H X S+ 0 0 39 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.832 108.4 49.7 -69.3 -31.8 21.7 11.9 0.2 308 97 C V H X S+ 0 0 59 -4,-1.7 4,-2.0 -3,-0.2 -2,-0.2 0.933 113.9 43.1 -69.9 -48.7 24.4 11.1 2.8 309 98 C I H X S+ 0 0 18 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.865 117.9 47.9 -65.4 -36.4 25.4 14.8 3.1 310 99 C S H X S+ 0 0 70 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.926 111.2 46.9 -71.9 -48.1 21.8 15.8 3.1 311 100 C D H X S+ 0 0 90 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.861 111.3 53.9 -64.1 -34.2 20.5 13.4 5.7 312 101 C F H >X S+ 0 0 7 -4,-2.0 4,-2.5 2,-0.2 3,-1.2 0.966 106.7 48.9 -63.8 -54.4 23.4 14.2 8.0 313 102 C E H 3X S+ 0 0 99 -4,-1.8 4,-1.3 1,-0.3 -1,-0.2 0.866 107.7 57.0 -52.6 -38.7 22.8 17.9 8.1 314 103 C K H 3X S+ 0 0 102 -4,-1.8 4,-2.0 2,-0.2 -1,-0.3 0.806 108.6 46.3 -64.2 -29.9 19.2 17.2 8.8 315 104 C I H < S+ 0 0 51 -4,-1.3 3,-1.9 -5,-0.2 -1,-0.2 0.971 109.5 45.2 -76.5 -66.8 19.6 20.2 12.9 318 107 C L H >< S+ 0 0 132 -4,-2.0 3,-0.9 1,-0.3 -2,-0.2 0.748 100.8 73.0 -53.6 -23.9 17.0 18.2 14.8 319 108 C R T 3< S+ 0 0 117 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.894 121.8 9.9 -58.4 -38.5 19.7 17.5 17.4 320 109 C A T < 0 0 95 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 -0.467 360.0 360.0-138.8 61.9 19.3 21.1 18.5 321 110 C G < 0 0 108 -3,-0.9 -3,-0.2 0, 0.0 -2,-0.1 0.527 360.0 360.0-145.3 360.0 16.2 22.4 16.7