==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 02-NOV-09 3KJ0 . COMPND 2 MOLECULE: INDUCED MYELOID LEUKEMIA CELL DIFFERENTIATION . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.FIRE,R.A.GRANT,A.E.KEATING . 181 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 81.2 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 . 4 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 1 0 0 1 0 0 1 0 0 0 0 1 2 1 1 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 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 1 170 A G 0 0 141 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 79.7 -2.2 22.4 5.0 2 171 A S - 0 0 108 4,-0.0 2,-1.2 1,-0.0 0, 0.0 -0.722 360.0-101.3-106.8 162.2 -3.4 18.8 4.3 3 172 A D > + 0 0 65 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 -0.675 37.6 178.7 -87.1 95.5 -3.8 15.9 6.8 4 173 A E H > S+ 0 0 50 -2,-1.2 4,-2.5 1,-0.2 5,-0.2 0.847 79.2 53.0 -69.4 -33.8 -0.8 13.8 6.2 5 174 A L H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 110.8 47.5 -68.0 -41.7 -1.7 11.2 8.9 6 175 A Y H > S+ 0 0 57 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.935 111.9 50.6 -61.6 -45.9 -5.1 10.7 7.3 7 176 A R H X S+ 0 0 73 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.939 113.3 44.1 -58.6 -49.5 -3.6 10.4 3.8 8 177 A Q H X S+ 0 0 18 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.910 115.2 48.6 -62.0 -44.9 -1.0 7.8 5.0 9 178 A S H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.907 110.9 50.3 -62.3 -44.7 -3.6 5.8 7.0 10 179 A L H X S+ 0 0 28 -4,-2.9 4,-3.0 1,-0.2 5,-0.4 0.886 108.0 53.4 -63.2 -39.7 -6.1 5.9 4.1 11 180 A E H X S+ 0 0 22 -4,-2.2 4,-2.0 -5,-0.2 5,-0.2 0.941 113.3 43.0 -60.6 -46.1 -3.5 4.6 1.7 12 181 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.954 120.4 40.3 -63.8 -50.8 -2.6 1.6 3.9 13 182 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.903 115.2 50.4 -70.8 -42.7 -6.2 0.8 4.8 14 183 A S H X S+ 0 0 7 -4,-3.0 4,-2.5 -5,-0.3 5,-0.2 0.929 112.1 48.2 -59.9 -46.9 -7.7 1.3 1.3 15 184 A R H X S+ 0 0 15 -4,-2.0 4,-2.7 -5,-0.4 5,-0.3 0.929 112.3 48.6 -61.1 -44.2 -5.0 -0.9 -0.3 16 185 A Y H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.943 113.4 45.7 -62.5 -48.7 -5.5 -3.7 2.2 17 186 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.919 115.7 47.0 -60.6 -43.0 -9.3 -3.7 1.9 18 187 A R H X S+ 0 0 89 -4,-2.5 4,-1.4 -5,-0.2 6,-0.4 0.891 114.0 46.3 -68.1 -40.6 -9.1 -3.6 -1.9 19 188 A E H X S+ 0 0 13 -4,-2.7 4,-3.0 -5,-0.2 -1,-0.2 0.865 111.7 52.0 -71.4 -35.3 -6.5 -6.3 -2.2 20 189 A Q H < S+ 0 0 31 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.910 112.1 46.2 -64.5 -40.5 -8.3 -8.5 0.3 21 190 A A H < S+ 0 0 16 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.796 129.2 22.9 -72.8 -27.3 -11.5 -8.2 -1.7 22 191 A T H < S- 0 0 65 -4,-1.4 -2,-0.2 2,-0.2 -3,-0.2 0.674 90.2-128.6-114.9 -24.8 -9.9 -8.8 -5.1 23 192 A G < + 0 0 69 -4,-3.0 2,-0.3 1,-0.3 -4,-0.1 0.458 67.9 128.2 82.3 1.5 -6.7 -10.7 -4.5 24 193 A A - 0 0 59 -6,-0.4 2,-0.7 -5,-0.1 -1,-0.3 -0.722 55.6-140.7 -93.6 141.1 -4.8 -8.1 -6.6 25 194 A K - 0 0 145 -2,-0.3 -9,-0.1 -3,-0.1 -10,-0.0 -0.884 26.8-122.9-102.9 108.8 -1.7 -6.4 -5.3 26 195 A D - 0 0 69 -2,-0.7 -7,-0.0 -11,-0.2 -11,-0.0 -0.159 15.1-159.5 -51.5 132.7 -1.8 -2.7 -6.4 27 196 A T + 0 0 138 2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.475 53.9 120.1 -93.7 -3.6 1.3 -1.7 -8.4 28 197 A K S S- 0 0 115 1,-0.1 2,-0.1 2,-0.0 -2,-0.0 -0.328 72.8-105.7 -60.4 139.9 0.8 2.0 -7.7 29 198 A P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.384 19.4-134.4 -66.3 146.6 3.7 3.6 -5.8 30 199 A M - 0 0 33 1,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.943 36.3-169.3 -68.7 -51.4 3.2 4.4 -2.1 31 200 A G > + 0 0 54 2,-0.0 3,-2.0 0, 0.0 -1,-0.2 -0.690 47.2 26.2 98.0-150.2 4.6 7.9 -2.1 32 201 A R T 3 S+ 0 0 160 1,-0.3 5,-0.1 -2,-0.3 0, 0.0 -0.227 136.1 7.5 -56.3 135.3 5.4 10.1 0.9 33 202 A S T 3> S+ 0 0 57 1,-0.1 4,-2.5 3,-0.1 -1,-0.3 0.750 88.1 150.4 59.9 24.6 6.3 8.1 4.0 34 203 A G H <> + 0 0 15 -3,-2.0 4,-2.9 1,-0.2 5,-0.2 0.803 61.1 60.0 -56.2 -34.7 6.1 5.2 1.6 35 204 A A H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 110.0 39.1 -60.5 -52.8 8.7 3.2 3.6 36 205 A T H > S+ 0 0 26 -3,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.936 116.8 52.8 -61.7 -45.9 6.6 3.2 6.8 37 206 A S H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.883 107.3 51.2 -59.8 -42.1 3.4 2.6 4.7 38 207 A R H X S+ 0 0 112 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.946 112.6 45.0 -61.0 -48.8 5.0 -0.4 2.9 39 208 A K H X S+ 0 0 110 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.871 112.7 52.5 -64.3 -35.0 6.0 -2.1 6.2 40 209 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.928 110.4 46.7 -65.4 -45.1 2.6 -1.3 7.7 41 210 A L H X S+ 0 0 5 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.932 112.3 50.4 -63.2 -44.1 0.8 -2.9 4.8 42 211 A E H X S+ 0 0 86 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.925 112.0 48.1 -59.8 -42.0 3.0 -5.9 4.9 43 212 A T H X S+ 0 0 9 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.923 110.1 51.5 -62.4 -45.4 2.3 -6.2 8.6 44 213 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 5,-0.5 0.867 106.7 55.9 -60.2 -36.9 -1.4 -5.9 8.0 45 214 A R H X S+ 0 0 62 -4,-2.4 4,-1.0 -5,-0.2 -1,-0.2 0.928 112.6 40.6 -60.7 -46.5 -1.1 -8.6 5.4 46 215 A R H X S+ 0 0 122 -4,-1.9 4,-0.9 2,-0.1 -2,-0.2 0.970 125.7 31.6 -67.8 -54.7 0.4 -11.1 7.9 47 216 A V H X S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.2 -3,-0.2 0.876 115.8 55.7 -77.1 -38.5 -1.7 -10.3 11.0 48 217 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.4 5,-0.2 0.867 103.9 54.5 -63.3 -37.4 -5.0 -9.4 9.3 49 218 A D H X S+ 0 0 47 -4,-1.0 4,-1.8 -5,-0.5 -1,-0.2 0.882 108.8 50.2 -66.1 -33.1 -5.2 -12.6 7.5 50 219 A G H X S+ 0 0 10 -4,-0.9 4,-3.4 2,-0.2 5,-0.2 0.904 108.5 51.3 -68.2 -42.8 -4.8 -14.4 10.8 51 220 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.933 111.2 47.6 -61.2 -46.6 -7.6 -12.4 12.5 52 221 A Q H < S+ 0 0 6 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.898 117.7 41.8 -62.0 -42.5 -10.0 -13.1 9.6 53 222 A R H >< S+ 0 0 164 -4,-1.8 3,-1.4 -5,-0.2 4,-0.2 0.943 113.8 50.8 -68.9 -50.0 -9.2 -16.8 9.7 54 223 A N H 3< S+ 0 0 104 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.802 124.8 29.5 -58.0 -30.9 -9.1 -17.2 13.5 55 224 A H T 3X S+ 0 0 18 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.3 -0.083 77.5 128.1-125.4 33.8 -12.5 -15.5 13.7 56 225 A E H <> S+ 0 0 120 -3,-1.4 4,-2.8 1,-0.2 5,-0.2 0.889 75.9 49.8 -58.9 -43.6 -14.2 -16.4 10.5 57 226 A T H > S+ 0 0 122 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.915 112.0 47.6 -65.0 -44.2 -17.4 -17.7 12.2 58 227 A A H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.951 114.8 46.4 -59.5 -50.3 -17.7 -14.6 14.3 59 228 A F H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.891 112.1 50.7 -61.1 -41.3 -17.2 -12.3 11.3 60 229 A Q H X S+ 0 0 99 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.915 109.3 50.7 -62.9 -44.9 -19.6 -14.3 9.2 61 230 A G H X S+ 0 0 37 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.906 113.0 46.1 -59.7 -43.8 -22.3 -14.2 11.8 62 231 A M H X S+ 0 0 12 -4,-2.2 4,-2.1 2,-0.2 3,-0.4 0.963 113.8 47.3 -62.4 -52.7 -21.9 -10.4 12.1 63 232 A L H X S+ 0 0 15 -4,-2.8 4,-1.1 1,-0.2 5,-0.5 0.906 107.2 58.8 -54.9 -45.8 -21.9 -9.8 8.4 64 233 A R H < S+ 0 0 172 -4,-2.7 -1,-0.2 1,-0.2 3,-0.2 0.876 113.6 34.6 -52.8 -46.4 -24.9 -12.0 7.9 65 234 A K H < S+ 0 0 132 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.728 106.5 66.2 -89.3 -22.6 -27.2 -10.0 10.1 66 235 A L H < S- 0 0 46 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.749 87.2-157.8 -66.9 -22.6 -25.8 -6.6 9.4 67 236 A D < - 0 0 87 -4,-1.1 2,-0.5 -5,-0.2 -3,-0.1 0.901 8.8-164.9 43.8 61.7 -27.2 -7.2 5.9 68 237 A I + 0 0 3 -5,-0.5 -1,-0.2 1,-0.2 3,-0.1 -0.642 25.4 154.3 -80.0 122.1 -25.0 -4.7 4.1 69 238 A K - 0 0 123 -2,-0.5 2,-0.2 1,-0.3 -1,-0.2 0.646 58.0 -3.8-122.2 -26.1 -26.3 -4.0 0.6 70 239 A N S >> S- 0 0 60 47,-0.0 4,-1.4 46,-0.0 3,-1.2 -0.878 86.0 -70.2-156.6-171.8 -25.0 -0.5 -0.4 71 240 A E H 3> S+ 0 0 92 1,-0.3 4,-2.5 -2,-0.2 5,-0.2 0.794 121.1 63.6 -63.8 -28.4 -23.1 2.6 0.6 72 241 A D H 3> S+ 0 0 115 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.847 104.1 47.9 -61.4 -34.7 -25.9 3.7 3.0 73 242 A D H <> S+ 0 0 47 -3,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.861 107.7 54.4 -76.4 -36.8 -25.2 0.6 5.0 74 243 A V H >X S+ 0 0 2 -4,-1.4 3,-1.4 1,-0.2 4,-0.5 0.952 105.4 53.6 -58.7 -50.4 -21.4 1.2 5.0 75 244 A K H >< S+ 0 0 122 -4,-2.5 3,-1.0 1,-0.3 4,-0.3 0.853 105.4 55.7 -49.6 -38.3 -22.1 4.6 6.4 76 245 A S H >X S+ 0 0 72 -4,-1.0 3,-1.3 1,-0.2 4,-0.5 0.739 92.1 70.6 -70.5 -24.1 -24.0 2.9 9.2 77 246 A L H S+ 0 0 103 -3,-1.3 4,-1.7 -4,-0.3 -1,-0.2 0.913 104.5 45.7 -61.4 -44.3 -21.6 3.5 14.5 80 249 A V H X S+ 0 0 12 -4,-0.5 4,-1.2 -3,-0.3 -1,-0.2 0.934 111.9 53.0 -63.2 -44.4 -20.3 0.1 15.4 81 250 A M H >X S+ 0 0 7 -4,-2.1 4,-0.6 1,-0.2 3,-0.5 0.894 106.3 52.4 -59.8 -42.2 -16.7 1.3 14.9 82 251 A I H >< S+ 0 0 65 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.924 108.2 51.7 -58.1 -44.3 -17.3 4.2 17.3 83 252 A H H >< S+ 0 0 30 -4,-1.7 3,-0.7 1,-0.3 4,-0.3 0.674 93.5 71.0 -71.6 -19.1 -18.6 1.9 20.0 84 253 A V H << S+ 0 0 1 -4,-1.2 -1,-0.3 -3,-0.5 3,-0.2 0.800 112.7 31.1 -64.0 -25.7 -15.5 -0.4 19.8 85 254 A F T X< S+ 0 0 4 -3,-1.2 3,-1.7 -4,-0.6 -1,-0.2 0.267 88.9 104.2-113.5 9.1 -13.6 2.4 21.4 86 255 A S T < S+ 0 0 78 -3,-0.7 -1,-0.1 1,-0.3 -2,-0.1 0.634 70.1 67.7 -72.8 -13.3 -16.4 3.9 23.5 87 256 A D T 3 S- 0 0 65 -4,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.564 117.4-107.8 -81.1 -9.3 -15.0 2.3 26.7 88 257 A G S < S+ 0 0 62 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.162 80.2 125.1 103.3 -16.2 -11.9 4.6 26.5 89 258 A V + 0 0 56 -5,-0.1 2,-0.4 2,-0.0 -1,-0.3 -0.578 32.7 178.2 -81.9 134.6 -9.5 1.9 25.4 90 259 A T + 0 0 23 -2,-0.3 2,-0.3 -3,-0.1 -5,-0.0 -0.999 13.6 149.5-128.5 134.9 -7.4 2.1 22.3 91 260 A N > - 0 0 20 -2,-0.4 4,-1.8 1,-0.1 3,-0.2 -0.974 55.0-108.1-154.5 166.9 -4.9 -0.6 21.3 92 261 A W H > S+ 0 0 8 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.834 114.3 61.4 -69.3 -30.1 -3.4 -2.1 18.2 93 262 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.931 106.8 44.6 -58.7 -47.4 -5.4 -5.3 18.6 94 263 A R H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 113.5 51.6 -64.1 -40.7 -8.7 -3.5 18.3 95 264 A I H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.939 112.2 44.4 -63.0 -46.9 -7.4 -1.4 15.4 96 265 A V H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.895 112.7 53.0 -64.6 -38.8 -6.3 -4.5 13.4 97 266 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.915 109.9 47.7 -62.8 -43.0 -9.5 -6.3 14.3 98 267 A L H X S+ 0 0 5 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.922 114.4 45.9 -63.9 -44.7 -11.6 -3.4 13.0 99 268 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.903 112.1 52.6 -64.6 -39.1 -9.5 -3.2 9.8 100 269 A S H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.866 108.3 48.9 -66.0 -38.7 -9.7 -7.0 9.4 101 270 A F H X S+ 0 0 12 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.873 108.6 56.2 -67.4 -34.3 -13.5 -6.9 9.7 102 271 A G H X S+ 0 0 3 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.911 106.8 48.3 -59.9 -44.1 -13.4 -4.1 7.1 103 272 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.894 109.5 53.2 -61.8 -41.1 -11.5 -6.4 4.8 104 273 A F H X S+ 0 0 20 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.919 112.0 44.9 -60.8 -44.7 -14.1 -9.2 5.4 105 274 A V H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.884 108.7 57.1 -65.3 -41.3 -16.9 -6.8 4.5 106 275 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.919 104.0 53.0 -55.8 -46.1 -15.0 -5.6 1.5 107 276 A K H X S+ 0 0 78 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.924 110.9 47.6 -52.7 -46.7 -14.8 -9.2 0.2 108 277 A H H X S+ 0 0 44 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.902 108.1 54.3 -62.2 -42.9 -18.6 -9.3 0.6 109 278 A L H <>S+ 0 0 0 -4,-2.8 5,-3.0 1,-0.2 -1,-0.2 0.884 106.4 53.2 -60.5 -38.8 -19.1 -6.0 -1.2 110 279 A K H ><5S+ 0 0 83 -4,-2.2 3,-1.5 1,-0.2 5,-0.3 0.920 106.4 52.6 -60.2 -45.1 -17.1 -7.4 -4.1 111 280 A T H 3<5S+ 0 0 110 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.795 109.0 48.7 -65.7 -29.5 -19.4 -10.5 -4.4 112 281 A I T 3<5S- 0 0 63 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.150 119.4-104.6 -98.9 21.1 -22.6 -8.4 -4.5 113 282 A N T < 5S+ 0 0 126 -3,-1.5 3,-0.2 1,-0.1 -3,-0.2 0.810 87.7 121.3 62.8 33.7 -21.3 -6.1 -7.2 114 283 A Q > < + 0 0 53 -5,-3.0 3,-2.3 -6,-0.2 4,-0.3 -0.190 15.7 134.7-117.7 40.2 -20.8 -3.2 -4.7 115 284 A E G >> + 0 0 69 1,-0.3 3,-1.4 -5,-0.3 4,-0.5 0.772 65.3 70.9 -58.8 -25.3 -17.1 -2.6 -5.3 116 285 A S G 34 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.609 92.4 59.0 -66.7 -11.5 -17.9 1.1 -5.4 117 286 A C G <> S+ 0 0 0 -3,-2.3 4,-2.0 1,-0.1 -1,-0.3 0.576 84.0 79.9 -92.2 -13.2 -18.5 0.9 -1.6 118 287 A I H <> S+ 0 0 5 -3,-1.4 4,-2.5 -4,-0.3 5,-0.2 0.900 92.8 47.6 -64.7 -41.8 -15.1 -0.4 -0.7 119 288 A E H X S+ 0 0 55 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.921 111.6 49.5 -67.9 -43.8 -13.4 3.1 -0.9 120 289 A P H > S+ 0 0 21 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.862 111.1 52.0 -60.3 -34.4 -16.2 4.7 1.2 121 290 A L H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.942 110.7 46.4 -65.0 -48.5 -15.7 1.8 3.7 122 291 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.892 112.5 51.0 -58.9 -41.6 -12.0 2.4 3.9 123 292 A E H X S+ 0 0 81 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.902 109.3 50.7 -64.0 -40.4 -12.6 6.2 4.3 124 293 A S H X S+ 0 0 16 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.909 112.1 46.1 -64.0 -44.9 -15.0 5.6 7.1 125 294 A I H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.928 115.4 46.5 -62.9 -45.4 -12.6 3.3 9.0 126 295 A T H X>S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.5 0.899 109.7 55.6 -65.6 -40.7 -9.8 5.8 8.5 127 296 A D H X>S+ 0 0 62 -4,-2.9 4,-2.2 -5,-0.2 5,-0.6 0.959 109.9 44.4 -54.7 -56.7 -12.0 8.7 9.5 128 297 A V H X5S+ 0 0 4 -4,-2.2 4,-1.4 3,-0.2 5,-0.3 0.923 119.0 43.1 -55.2 -48.2 -12.9 7.1 12.9 129 298 A L H X5S+ 0 0 5 -4,-2.2 4,-1.5 -5,-0.2 8,-0.2 0.961 122.4 33.7 -66.8 -53.3 -9.3 6.0 13.6 130 299 A V H X5S+ 0 0 1 -4,-3.0 4,-0.6 -5,-0.2 -3,-0.2 0.937 122.3 43.5 -73.2 -46.8 -7.4 9.1 12.5 131 300 A R H < S+ 0 0 113 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.909 111.9 45.7 -66.1 -40.3 -3.6 11.6 20.0 136 305 A W H > S+ 0 0 49 -3,-0.3 4,-0.7 2,-0.2 -2,-0.2 0.934 112.3 51.8 -65.6 -45.0 -3.2 7.9 20.8 137 306 A L H ><>S+ 0 0 9 -4,-2.6 5,-2.6 1,-0.2 3,-1.2 0.916 109.2 49.2 -57.3 -46.0 -1.8 7.2 17.3 138 307 A V H ><5S+ 0 0 94 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.860 103.9 60.5 -63.8 -35.4 0.8 9.9 17.7 139 308 A K H 3<5S+ 0 0 161 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.665 106.8 47.0 -66.8 -15.6 1.9 8.6 21.1 140 309 A Q T <<5S- 0 0 55 -3,-1.2 -1,-0.3 -4,-0.7 5,-0.2 0.327 122.9-105.4-101.3 5.0 2.8 5.3 19.3 141 310 A R T X>5 - 0 0 141 -3,-1.7 3,-1.6 3,-0.1 4,-0.6 0.876 56.3-100.9 65.0 39.5 4.7 7.1 16.6 142 311 A G H >> S+ 0 0 8 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.683 129.2 66.9 -72.0 -16.9 2.2 3.4 11.8 144 313 A D H <> S+ 0 0 70 -3,-1.6 4,-2.3 2,-0.2 -1,-0.3 0.908 101.4 48.8 -63.8 -42.1 5.8 3.0 12.9 145 314 A G H < S+ 0 0 102 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.885 106.1 58.2 -67.5 -39.2 7.0 -2.4 15.9 149 318 A F H 3< S+ 0 0 43 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.883 114.6 36.5 -58.8 -40.6 4.1 -3.7 18.0 150 319 A F T 3< S+ 0 0 0 -4,-1.5 2,-0.3 -5,-0.1 -1,-0.3 0.354 88.5 125.8 -96.4 5.9 3.6 -6.7 15.7 151 320 A H < - 0 0 103 -3,-1.0 2,-0.6 -4,-0.3 -3,-0.0 -0.482 44.2-160.4 -70.8 129.3 7.3 -7.2 15.0 152 321 A V - 0 0 90 -2,-0.3 -2,-0.1 2,-0.0 -1,-0.1 -0.935 12.6-149.0-113.2 109.8 8.5 -10.7 15.7 153 322 A E - 0 0 95 -2,-0.6 0, 0.0 1,-0.1 0, 0.0 -0.296 12.7-152.5 -77.0 158.6 12.3 -10.9 16.1 154 323 A D + 0 0 162 -2,-0.0 2,-0.5 2,-0.0 -1,-0.1 -0.429 44.6 142.5-124.8 55.4 14.5 -13.8 15.2 155 324 A L - 0 0 139 1,-0.1 2,-2.4 0, 0.0 -2,-0.1 -0.845 55.3-137.8-104.7 130.4 17.3 -13.2 17.7 156 325 A E 0 0 112 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 -0.332 360.0 360.0 -75.8 56.4 19.2 -15.9 19.6 157 326 A G 0 0 117 -2,-2.4 -1,-0.2 0, 0.0 -3,-0.0 0.982 360.0 360.0 -57.9 360.0 18.9 -13.6 22.6 158 !* 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 0.0 159 0 B G 0 0 86 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-130.3 -28.9 -1.8 24.5 160 1 B R >> - 0 0 142 1,-0.1 3,-1.8 3,-0.0 4,-0.8 -0.388 360.0-115.3 -67.7 145.0 -28.9 -0.9 20.8 161 2 B P H >> S+ 0 0 72 0, 0.0 4,-1.8 0, 0.0 3,-1.0 0.834 111.3 67.1 -49.3 -41.1 -27.7 -3.6 18.4 162 3 B E H 3> S+ 0 0 22 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.809 96.9 55.9 -53.4 -31.7 -24.6 -1.6 17.4 163 4 B I H <> S+ 0 0 72 -3,-1.8 4,-2.1 2,-0.2 -1,-0.3 0.873 103.9 52.7 -69.9 -36.9 -23.3 -2.0 20.9 164 5 B W H X S+ 0 0 11 -4,-2.4 3,-1.2 1,-0.2 4,-0.7 0.907 108.1 56.7 -66.8 -41.8 -5.5 -10.5 19.9 177 18 B N H >X S+ 0 0 24 -4,-2.7 4,-2.6 1,-0.3 3,-1.2 0.881 100.2 59.6 -55.9 -39.0 -3.7 -7.5 21.5 178 19 B A H 3< S+ 0 0 74 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.720 94.5 64.0 -67.6 -21.3 -2.7 -9.8 24.4 179 20 B Y H << S+ 0 0 161 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.820 119.5 22.5 -65.7 -29.7 -0.9 -12.1 22.0 180 21 B Y H << S+ 0 0 46 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.1 0.670 92.2 109.3-114.2 -23.9 1.6 -9.3 21.2 181 22 B A < 0 0 48 -4,-2.6 -31,-0.0 -5,-0.2 -32,-0.0 -0.361 360.0 360.0 -65.5 132.3 1.5 -6.8 24.0 182 23 B R 0 0 215 -2,-0.1 -1,-0.2 -33,-0.0 -4,-0.0 0.298 360.0 360.0-166.7 360.0 4.7 -6.8 26.1