==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/TRANSCRIPTION ACTIVATOR 06-DEC-12 4IA3 . COMPND 2 MOLECULE: VITAMIN D3 RECEPTOR A; . SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; . AUTHOR H.MAEHR,N.ROCHEL,N.SUH,M.USKOKOVIC . 249 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 75.1 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 . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 7 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 52.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 1 1 2 0 0 0 0 0 1 0 0 1 1 0 0 1 1 0 1 0 0 0 0 0 1 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 2 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 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 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 1 154 A H 0 0 193 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-146.2 15.8 51.2 69.9 2 155 A M - 0 0 134 184,-0.0 180,-0.1 183,-0.0 179,-0.0 -0.975 360.0 -84.2-163.3 151.1 15.5 52.7 66.4 3 156 A L - 0 0 32 -2,-0.3 2,-0.2 1,-0.1 175,-0.0 -0.084 39.3-129.0 -56.9 151.5 16.7 52.2 62.8 4 157 A S > - 0 0 54 1,-0.1 4,-2.6 0, 0.0 5,-0.2 -0.521 21.8-109.4 -98.3 167.0 20.0 53.5 61.4 5 158 A D H > S+ 0 0 119 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.960 117.4 48.8 -60.1 -55.8 20.7 55.6 58.3 6 159 A E H 4 S+ 0 0 116 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.916 114.5 48.1 -51.0 -47.0 22.4 52.8 56.3 7 160 A Q H >> S+ 0 0 46 1,-0.2 4,-1.3 2,-0.2 3,-1.2 0.928 111.7 48.3 -59.5 -49.1 19.5 50.5 57.2 8 161 A M H 3X S+ 0 0 74 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.841 105.4 57.4 -63.5 -36.0 16.8 53.0 56.3 9 162 A Q H 3X S+ 0 0 95 -4,-2.7 4,-1.2 1,-0.2 -1,-0.3 0.602 101.4 58.8 -72.0 -9.3 18.4 53.9 52.9 10 163 A I H <> S+ 0 0 18 -3,-1.2 4,-2.3 -4,-0.5 -1,-0.2 0.860 106.9 47.2 -81.2 -41.7 18.1 50.1 52.1 11 164 A I H X S+ 0 0 13 -4,-1.3 4,-2.8 2,-0.2 5,-0.3 0.899 109.4 52.4 -66.1 -43.1 14.4 50.5 52.6 12 165 A N H X S+ 0 0 89 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.961 112.7 45.8 -57.5 -51.1 14.1 53.6 50.5 13 166 A S H X S+ 0 0 55 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.888 115.3 45.1 -59.3 -44.9 15.9 51.9 47.6 14 167 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.935 113.5 48.3 -67.6 -47.7 13.9 48.6 47.8 15 168 A V H X S+ 0 0 23 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.919 115.7 45.8 -59.9 -41.8 10.5 50.3 48.1 16 169 A E H X S+ 0 0 107 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.870 109.3 54.9 -68.3 -36.5 11.4 52.5 45.2 17 170 A A H < S+ 0 0 0 -4,-2.1 4,-0.4 -5,-0.2 -2,-0.2 0.896 109.7 47.4 -63.9 -38.7 12.7 49.6 43.2 18 171 A H H >X S+ 0 0 0 -4,-2.3 3,-1.1 2,-0.2 4,-0.8 0.905 110.5 51.0 -68.5 -42.9 9.4 47.8 43.6 19 172 A H H >< S+ 0 0 105 -4,-2.0 3,-0.5 1,-0.3 -2,-0.2 0.874 108.0 53.2 -61.6 -37.4 7.4 50.9 42.7 20 173 A K T 3< S+ 0 0 126 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.595 120.1 34.2 -73.9 -11.0 9.5 51.2 39.5 21 174 A T T <4 S+ 0 0 18 -3,-1.1 2,-0.4 -4,-0.4 -2,-0.2 0.295 106.2 66.6-130.1 11.2 8.7 47.6 38.6 22 175 A Y << - 0 0 25 -4,-0.8 2,-0.6 -3,-0.5 -1,-0.2 -0.959 57.4-163.4-138.0 118.5 5.2 46.8 39.8 23 176 A D > - 0 0 51 -2,-0.4 3,-1.3 1,-0.1 5,-0.1 -0.902 9.2-159.3-105.6 115.3 2.1 48.4 38.3 24 177 A D T 3 S+ 0 0 110 -2,-0.6 -1,-0.1 1,-0.3 0, 0.0 0.519 92.6 58.4 -68.3 -6.0 -1.1 48.0 40.3 25 178 A S T 3 S- 0 0 77 80,-0.0 -1,-0.3 0, 0.0 -2,-0.0 0.610 90.9-146.6 -97.5 -15.1 -3.2 48.7 37.2 26 179 A Y X + 0 0 24 -3,-1.3 3,-1.0 1,-0.1 4,-0.1 0.849 42.2 153.4 51.6 38.5 -1.8 45.7 35.2 27 180 A S G > + 0 0 63 1,-0.2 3,-1.0 2,-0.1 -1,-0.1 0.753 59.2 63.2 -69.6 -26.7 -2.1 47.8 32.1 28 181 A D G > S+ 0 0 48 1,-0.2 3,-2.1 2,-0.1 4,-0.3 0.617 79.3 87.0 -74.4 -12.5 0.7 46.0 30.2 29 182 A F G X S+ 0 0 11 -3,-1.0 3,-1.0 1,-0.3 -1,-0.2 0.693 74.0 69.9 -62.0 -18.1 -1.2 42.7 30.3 30 183 A V G < S+ 0 0 114 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.654 90.9 61.7 -74.8 -11.8 -3.1 43.7 27.1 31 184 A R G < S+ 0 0 184 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.2 0.610 86.6 93.5 -87.4 -11.5 0.2 43.2 25.2 32 185 A F S < S- 0 0 22 -3,-1.0 13,-0.1 -4,-0.3 14,-0.1 -0.333 98.5 -85.2 -75.1 159.9 0.4 39.5 26.1 33 186 A R - 0 0 79 11,-0.4 15,-0.1 1,-0.1 -1,-0.1 -0.509 66.5 -94.1 -63.3 134.5 -1.0 36.9 23.8 34 187 A P - 0 0 94 0, 0.0 11,-0.2 0, 0.0 -1,-0.1 -0.144 38.2-111.0 -55.4 144.0 -4.6 36.7 24.8 35 188 A P - 0 0 17 0, 0.0 2,-0.4 0, 0.0 7,-0.2 -0.413 27.0-158.1 -73.5 152.4 -5.8 34.2 27.4 36 189 A V 0 0 76 5,-0.3 7,-0.1 82,-0.1 5,-0.1 -0.944 360.0 360.0-137.8 111.6 -8.0 31.4 26.3 37 190 A R 0 0 104 -2,-0.4 78,-0.0 5,-0.1 77,-0.0 -0.627 360.0 360.0 -97.4 360.0 -10.3 29.5 28.7 38 ! 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 39 251 A R 0 0 217 0, 0.0 79,-0.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 105.5 -4.2 21.2 25.1 40 252 A L > + 0 0 18 3,-0.1 3,-0.6 2,-0.0 79,-0.1 0.960 360.0 176.4 80.3 64.6 -3.1 24.0 27.5 41 253 A S T 3 S+ 0 0 42 1,-0.2 4,-0.3 2,-0.2 -5,-0.3 0.617 78.6 54.2 -73.2 -16.2 -4.9 27.0 26.0 42 254 A M T 3> S+ 0 0 0 76,-3.0 4,-2.8 73,-0.2 5,-0.4 0.602 83.3 89.7 -93.1 -12.9 -3.7 29.3 28.8 43 255 A L H <> S+ 0 0 8 75,-1.0 4,-2.1 -3,-0.6 5,-0.2 0.888 84.6 51.9 -50.0 -47.3 -0.1 28.4 28.2 44 256 A P H > S+ 0 0 20 0, 0.0 4,-0.9 0, 0.0 -11,-0.4 0.911 116.1 38.6 -58.3 -45.2 0.5 31.2 25.6 45 257 A H H > S+ 0 0 0 -4,-0.3 4,-1.8 -3,-0.2 3,-0.4 0.934 117.6 46.7 -74.2 -47.7 -0.8 34.0 27.9 46 258 A L H X S+ 0 0 23 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.842 107.4 58.8 -64.1 -31.2 0.6 32.8 31.2 47 259 A A H X S+ 0 0 7 -4,-2.1 4,-1.8 -5,-0.4 -1,-0.2 0.855 108.0 46.8 -64.9 -34.3 4.0 32.2 29.5 48 260 A D H X S+ 0 0 31 -4,-0.9 4,-2.6 -3,-0.4 -1,-0.2 0.840 110.5 52.2 -73.5 -35.7 3.9 35.9 28.6 49 261 A L H X S+ 0 0 29 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.922 113.5 43.5 -65.5 -46.4 2.9 36.9 32.1 50 262 A V H X S+ 0 0 38 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.886 114.0 51.2 -66.3 -39.9 5.8 34.9 33.6 51 263 A S H X S+ 0 0 11 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.927 110.5 48.3 -63.5 -44.9 8.1 36.2 31.0 52 264 A Y H X S+ 0 0 23 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.915 111.2 52.3 -59.2 -45.3 7.1 39.8 31.7 53 265 A S H X S+ 0 0 10 -4,-2.2 4,-3.1 2,-0.2 -1,-0.2 0.843 103.3 55.5 -61.4 -40.7 7.5 39.1 35.4 54 266 A I H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.948 107.0 51.6 -59.3 -46.8 11.1 37.8 35.1 55 267 A Q H X S+ 0 0 95 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.869 112.6 46.0 -55.7 -40.6 12.0 41.0 33.4 56 268 A K H X S+ 0 0 57 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.877 109.9 52.4 -70.7 -41.8 10.5 42.9 36.3 57 269 A V H X S+ 0 0 2 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.837 109.1 52.4 -64.0 -31.5 12.2 40.8 38.9 58 270 A I H X S+ 0 0 4 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.887 108.0 49.5 -71.4 -39.6 15.5 41.5 37.1 59 271 A G H < S+ 0 0 22 -4,-1.6 4,-0.4 2,-0.2 -2,-0.2 0.853 113.6 47.1 -67.3 -34.6 14.9 45.2 37.2 60 272 A F H >< S+ 0 0 3 -4,-1.9 3,-1.6 2,-0.2 4,-0.2 0.943 110.6 51.3 -69.7 -49.4 14.1 45.0 40.9 61 273 A A H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.874 102.0 60.7 -55.1 -42.6 17.2 42.8 41.6 62 274 A K T 3< S+ 0 0 47 -4,-2.1 -1,-0.3 1,-0.3 6,-0.3 0.730 106.5 49.2 -59.2 -22.0 19.5 45.2 39.8 63 275 A M T < S+ 0 0 88 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.366 80.2 109.8-100.9 2.6 18.4 47.8 42.4 64 276 A I S X> S- 0 0 3 -3,-2.0 3,-2.0 -4,-0.2 4,-0.6 -0.692 83.8-105.9 -77.3 126.3 18.9 45.6 45.5 65 277 A P T 34 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.303 101.7 13.0 -56.2 128.0 21.9 47.2 47.3 66 278 A G T 34 S+ 0 0 23 -4,-0.1 4,-0.2 -2,-0.0 105,-0.1 0.327 100.8 98.9 89.8 -8.7 25.1 45.1 46.8 67 279 A F T X4 S+ 0 0 0 -3,-2.0 3,-1.9 1,-0.2 -5,-0.1 0.902 75.7 55.4 -77.7 -44.1 23.6 42.9 44.1 68 280 A R T 3< S+ 0 0 138 -4,-0.6 -1,-0.2 -6,-0.3 -6,-0.1 0.665 100.8 63.5 -65.0 -12.6 25.2 44.7 41.1 69 281 A D T 3 S+ 0 0 119 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.2 0.585 84.2 94.5 -86.2 -12.1 28.6 44.1 42.8 70 282 A L S < S- 0 0 6 -3,-1.9 2,-0.1 -4,-0.2 -4,-0.0 -0.309 93.0 -86.2 -73.1 163.8 28.2 40.3 42.5 71 283 A T > - 0 0 72 1,-0.1 4,-2.4 -2,-0.0 3,-0.3 -0.409 35.7-114.1 -70.1 149.1 29.7 38.5 39.5 72 284 A A H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.837 119.1 56.1 -51.7 -31.4 27.6 38.3 36.4 73 285 A E H > S+ 0 0 109 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.920 107.0 43.6 -68.6 -47.7 27.6 34.6 37.1 74 286 A D H > S+ 0 0 1 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.817 112.1 55.2 -69.5 -29.9 26.2 34.8 40.7 75 287 A Q H X S+ 0 0 16 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.956 111.7 43.7 -64.9 -49.2 23.7 37.3 39.6 76 288 A I H X S+ 0 0 10 -4,-2.1 4,-3.0 -5,-0.2 5,-0.2 0.938 113.7 51.1 -60.5 -46.7 22.5 34.9 36.9 77 289 A A H X S+ 0 0 13 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.884 111.8 46.6 -59.5 -41.4 22.6 31.9 39.4 78 290 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.927 114.5 46.8 -67.7 -44.2 20.5 33.8 42.0 79 291 A L H X S+ 0 0 4 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.941 111.1 51.6 -63.0 -48.5 17.9 34.9 39.4 80 292 A K H < S+ 0 0 40 -4,-3.0 4,-0.4 1,-0.2 -1,-0.2 0.908 116.1 39.2 -56.7 -46.1 17.6 31.5 37.8 81 293 A S H < S+ 0 0 18 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.2 0.839 126.6 32.5 -76.4 -32.7 17.0 29.7 41.0 82 294 A S H >X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 3,-0.6 0.641 88.1 96.9-100.1 -15.0 14.7 32.3 42.8 83 295 A A H 3X S+ 0 0 2 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.873 87.9 46.4 -38.9 -57.8 12.9 33.8 39.9 84 296 A I H 3> S+ 0 0 18 -4,-0.4 4,-2.0 1,-0.2 -1,-0.3 0.873 112.4 50.5 -56.9 -40.4 9.8 31.7 40.3 85 297 A E H <> S+ 0 0 0 -3,-0.6 4,-2.0 -4,-0.3 -1,-0.2 0.913 111.4 47.7 -65.1 -43.7 9.7 32.3 44.1 86 298 A I H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.847 109.0 54.2 -65.6 -34.7 10.0 36.0 43.6 87 299 A I H X S+ 0 0 20 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.902 110.5 47.9 -64.1 -40.9 7.2 35.9 41.0 88 300 A M H X S+ 0 0 15 -4,-2.0 4,-0.5 -5,-0.2 -2,-0.2 0.852 111.1 50.1 -68.5 -36.4 5.0 34.1 43.6 89 301 A L H >< S+ 0 0 1 -4,-2.0 3,-1.4 1,-0.2 4,-0.3 0.959 113.4 43.4 -67.6 -52.2 5.8 36.6 46.3 90 302 A R H >< S+ 0 0 14 -4,-2.5 3,-1.7 1,-0.3 4,-0.3 0.830 102.8 68.0 -63.4 -31.2 5.0 39.7 44.3 91 303 A S H >X S+ 0 0 21 -4,-1.7 3,-1.9 1,-0.3 4,-0.6 0.735 81.4 78.0 -61.1 -21.2 1.9 38.0 42.9 92 304 A N G X< S+ 0 0 15 -3,-1.4 3,-1.0 -4,-0.5 -1,-0.3 0.840 82.5 66.0 -56.4 -33.3 0.4 38.2 46.4 93 305 A Q G <4 S+ 0 0 54 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.730 107.4 38.9 -61.6 -24.1 -0.3 41.8 45.7 94 306 A S G <4 S+ 0 0 14 -3,-1.9 9,-2.4 -4,-0.3 -1,-0.3 0.433 94.6 109.5-105.2 -1.9 -2.8 40.8 43.0 95 307 A F E << -A 102 0A 4 -3,-1.0 2,-0.5 -4,-0.6 7,-0.2 -0.501 54.2-154.9 -77.8 143.7 -4.2 37.9 45.0 96 308 A S E >> -A 101 0A 10 5,-2.7 4,-1.2 -2,-0.2 5,-0.8 -0.962 18.1-168.0-124.2 117.8 -7.7 38.1 46.5 97 309 A L T 45S+ 0 0 57 -2,-0.5 -1,-0.1 2,-0.2 37,-0.0 0.814 91.7 67.8 -67.9 -27.4 -8.8 36.1 49.5 98 310 A E T 45S+ 0 0 158 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.967 122.7 9.0 -54.5 -60.2 -12.2 37.3 48.5 99 311 A D T 45S- 0 0 71 2,-0.2 -1,-0.2 13,-0.0 -2,-0.2 0.203 97.7-122.0-109.8 15.6 -12.3 35.2 45.3 100 312 A M T <5S+ 0 0 83 -4,-1.2 2,-0.3 1,-0.2 13,-0.2 0.783 77.6 99.3 49.7 34.2 -9.1 33.1 45.8 101 313 A S E S- 0 0 48 -2,-0.3 3,-0.9 1,-0.1 4,-0.2 0.305 94.7 -60.1 -56.1-163.1 -11.7 42.5 34.3 107 319 A P G > S+ 0 0 124 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.785 135.9 66.4 -54.7 -25.3 -12.9 38.9 33.9 108 320 A D G 3 S+ 0 0 98 1,-0.2 -2,-0.1 3,-0.0 -3,-0.0 0.884 108.0 32.4 -63.4 -45.6 -10.2 38.6 31.3 109 321 A F G < S+ 0 0 26 -3,-0.9 -5,-1.9 2,-0.1 2,-0.6 0.059 87.5 111.9-105.1 25.0 -7.2 39.0 33.6 110 322 A K E < -B 103 0A 73 -3,-0.8 2,-0.7 -4,-0.2 -7,-0.2 -0.884 59.3-148.6 -95.8 120.2 -8.6 37.3 36.7 111 323 A Y E -B 102 0A 8 -9,-2.8 -9,-1.7 -2,-0.6 2,-0.1 -0.812 15.4-173.1-103.1 113.1 -6.6 34.1 37.2 112 324 A C > - 0 0 41 -2,-0.7 4,-1.4 -11,-0.2 3,-0.2 -0.474 41.1-107.4 -92.5 166.6 -8.3 31.1 38.8 113 325 A I H > S+ 0 0 44 1,-0.2 4,-1.1 -13,-0.2 -1,-0.1 0.882 121.2 60.9 -57.6 -39.1 -6.7 27.8 39.9 114 326 A N H >> S+ 0 0 83 1,-0.2 4,-1.2 2,-0.2 3,-1.0 0.925 99.4 54.5 -53.9 -50.2 -8.5 26.3 36.9 115 327 A D H >4 S+ 0 0 6 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.885 101.8 55.0 -54.2 -46.6 -6.6 28.6 34.5 116 328 A V H ><>S+ 0 0 24 -4,-1.4 5,-1.5 1,-0.2 3,-0.9 0.796 103.8 59.8 -59.9 -25.3 -3.2 27.6 35.6 117 329 A T H X<5S+ 0 0 36 -4,-1.1 3,-1.5 -3,-1.0 -1,-0.2 0.880 96.3 57.4 -69.1 -39.7 -4.3 24.0 34.9 118 330 A K T <<5S+ 0 0 55 -4,-1.2 -76,-3.0 -3,-0.6 -75,-1.0 0.092 101.9 62.1 -79.4 25.3 -4.9 24.8 31.2 119 331 A A T < 5S- 0 0 6 -3,-0.9 -1,-0.3 2,-0.3 -2,-0.2 0.054 131.8 -81.7-134.8 18.9 -1.3 25.9 31.2 120 332 A G T < 5S+ 0 0 20 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.392 95.3 110.9 97.1 -3.1 0.3 22.5 32.1 121 333 A H < - 0 0 32 -5,-1.5 -2,-0.3 1,-0.0 -1,-0.3 -0.812 52.3-142.1-109.7 148.9 -0.2 22.5 35.9 122 334 A T > - 0 0 57 -2,-0.3 4,-0.7 -3,-0.1 5,-0.0 -0.352 22.5-113.2 -98.7 179.6 -2.4 20.3 38.0 123 335 A L H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 3,-0.2 0.897 104.9 71.1 -79.0 -43.9 -4.5 20.8 41.1 124 336 A E H 4 S+ 0 0 119 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.828 116.5 23.2 -41.4 -42.2 -2.5 18.5 43.4 125 337 A L H > S+ 0 0 17 2,-0.2 4,-0.6 1,-0.1 -1,-0.3 0.578 112.9 68.1-104.2 -13.2 0.4 21.0 43.4 126 338 A L H X S+ 0 0 8 -4,-0.7 4,-1.2 -3,-0.2 -2,-0.2 0.723 90.2 71.7 -74.5 -19.7 -1.6 24.1 42.5 127 339 A E H >X S+ 0 0 121 -4,-2.1 4,-2.0 1,-0.2 3,-0.5 0.933 92.2 50.3 -60.5 -52.5 -3.2 23.6 46.0 128 340 A P H 3> S+ 0 0 50 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.787 103.0 62.8 -59.7 -27.5 -0.1 24.7 48.0 129 341 A L H 3X S+ 0 0 27 -4,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.917 106.3 43.1 -64.4 -43.7 0.3 27.9 45.9 130 342 A V H < S+ 0 0 1 -4,-2.8 3,-0.7 -5,-0.2 5,-0.4 0.924 110.7 51.4 -66.0 -46.5 1.0 35.3 53.1 137 349 A K H >< S+ 0 0 63 -4,-2.8 3,-1.9 1,-0.2 -2,-0.2 0.905 104.7 58.4 -56.3 -45.2 -1.9 37.7 52.5 138 350 A K H 3< S+ 0 0 147 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.783 89.1 72.0 -58.0 -30.3 -3.0 37.2 56.1 139 351 A L T << S- 0 0 29 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.552 90.9-147.9 -65.7 -4.3 0.3 38.5 57.5 140 352 A K < - 0 0 174 -3,-1.9 -2,-0.1 -4,-0.2 -3,-0.1 0.815 22.8-160.8 37.3 48.8 -0.8 42.0 56.3 141 353 A L - 0 0 34 -5,-0.4 2,-0.1 -4,-0.1 -1,-0.1 -0.130 15.7-118.0 -58.1 149.4 2.8 43.0 55.5 142 354 A H >> - 0 0 59 1,-0.1 4,-2.3 4,-0.0 3,-0.5 -0.485 32.2-109.0 -79.8 158.8 3.8 46.6 55.2 143 355 A E H 3> S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.903 122.1 56.1 -57.0 -37.2 5.2 47.5 51.8 144 356 A E H 3> S+ 0 0 61 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.825 108.7 44.4 -63.3 -36.0 8.6 47.8 53.5 145 357 A E H <> S+ 0 0 0 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.880 113.2 50.8 -76.9 -38.6 8.4 44.2 54.8 146 358 A H H X S+ 0 0 8 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.877 111.5 46.9 -65.4 -40.4 7.1 42.7 51.5 147 359 A V H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.791 113.3 50.7 -73.9 -27.0 9.9 44.4 49.5 148 360 A L H X S+ 0 0 0 -4,-0.9 4,-2.5 -5,-0.2 5,-0.2 0.927 105.3 54.0 -75.3 -45.4 12.4 43.2 52.1 149 361 A L H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.872 109.8 49.7 -56.1 -38.2 11.2 39.6 52.1 150 362 A M H X S+ 0 0 2 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.919 109.9 49.1 -67.0 -45.1 11.7 39.5 48.3 151 363 A A H X S+ 0 0 0 -4,-1.5 4,-1.2 1,-0.2 -2,-0.2 0.851 114.0 47.5 -62.9 -34.7 15.2 41.0 48.5 152 364 A I H < S+ 0 0 4 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.904 109.7 51.6 -73.3 -42.3 16.0 38.3 51.1 153 365 A C H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.943 109.8 50.5 -58.2 -48.5 14.6 35.5 49.1 154 366 A L H 3< S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.828 107.0 54.9 -59.1 -35.7 16.6 36.5 46.1 155 367 A L T 3< S+ 0 0 0 -4,-1.2 17,-0.3 -5,-0.2 -1,-0.3 0.008 71.6 140.9 -91.9 29.7 19.8 36.6 48.1 156 368 A S < - 0 0 5 -3,-1.4 3,-0.1 1,-0.2 13,-0.1 -0.609 41.5-156.3 -72.9 124.9 19.6 33.1 49.5 157 369 A P S S+ 0 0 14 0, 0.0 2,-1.3 0, 0.0 -1,-0.2 0.648 80.2 82.6 -75.5 -16.2 23.2 31.7 49.4 158 370 A D + 0 0 96 2,-0.0 -2,-0.1 11,-0.0 -3,-0.0 -0.355 65.9 125.2 -86.1 52.8 21.8 28.1 49.3 159 371 A R > - 0 0 10 -2,-1.3 3,-2.1 -3,-0.1 -81,-0.1 -0.946 68.3-108.1-119.3 133.1 21.2 28.1 45.5 160 372 A P T 3 S+ 0 0 108 0, 0.0 -79,-0.1 0, 0.0 -2,-0.0 -0.319 105.9 23.2 -57.1 131.1 22.5 25.6 43.0 161 373 A G T 3 S+ 0 0 55 1,-0.3 2,-0.2 2,-0.0 -84,-0.2 0.336 84.9 139.1 96.9 -8.1 25.3 27.3 40.9 162 374 A V < - 0 0 26 -3,-2.1 -1,-0.3 1,-0.1 3,-0.2 -0.486 25.3-179.9 -73.8 139.7 26.3 30.0 43.4 163 375 A Q S S+ 0 0 139 -2,-0.2 2,-3.0 1,-0.2 3,-0.2 0.835 74.6 42.9 -98.4 -76.9 30.0 30.7 43.8 164 376 A D > + 0 0 65 1,-0.2 4,-1.8 2,-0.1 3,-0.4 -0.321 67.2 156.9 -71.9 60.2 30.7 33.5 46.3 165 377 A H H > + 0 0 105 -2,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.684 67.2 62.2 -63.0 -17.4 28.1 32.0 48.7 166 378 A V H > S+ 0 0 98 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.933 106.1 42.3 -73.9 -45.5 29.9 33.8 51.6 167 379 A R H > S+ 0 0 116 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.864 115.4 49.7 -68.0 -37.0 29.3 37.3 50.2 168 380 A I H X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.932 109.6 53.0 -64.6 -45.4 25.7 36.5 49.3 169 381 A E H X S+ 0 0 85 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.859 109.2 49.6 -56.2 -39.4 25.3 35.1 52.8 170 382 A A H X S+ 0 0 44 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.933 111.8 46.8 -68.0 -47.0 26.6 38.4 54.2 171 383 A L H X S+ 0 0 11 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.926 111.2 50.0 -61.3 -48.8 24.2 40.5 52.1 172 384 A Q H X S+ 0 0 24 -4,-3.0 4,-1.9 -17,-0.3 -1,-0.2 0.894 110.1 53.9 -57.9 -38.1 21.2 38.4 52.9 173 385 A D H X S+ 0 0 81 -4,-1.6 4,-1.2 -5,-0.3 -1,-0.2 0.886 105.4 51.0 -62.2 -44.0 22.2 38.8 56.6 174 386 A R H X S+ 0 0 87 -4,-2.0 4,-1.7 1,-0.2 3,-0.5 0.918 111.3 48.6 -60.7 -43.8 22.3 42.6 56.4 175 387 A L H X S+ 0 0 2 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.849 105.4 58.0 -64.9 -36.2 18.8 42.6 54.9 176 388 A C H X S+ 0 0 21 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.809 104.6 53.8 -63.9 -28.7 17.6 40.2 57.6 177 389 A D H X S+ 0 0 93 -4,-1.2 4,-3.5 -3,-0.5 5,-0.2 0.967 107.9 46.9 -67.3 -56.1 18.7 42.9 60.1 178 390 A V H X S+ 0 0 1 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.853 113.5 50.4 -55.2 -37.6 16.7 45.7 58.6 179 391 A L H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.924 113.7 44.1 -68.7 -42.4 13.7 43.4 58.4 180 392 A Q H X S+ 0 0 106 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.930 115.9 46.9 -67.1 -46.6 14.0 42.4 62.0 181 393 A A H X S+ 0 0 7 -4,-3.5 4,-3.0 1,-0.2 5,-0.3 0.965 111.2 51.8 -59.4 -53.9 14.7 45.9 63.2 182 394 A Y H X>S+ 0 0 14 -4,-2.5 4,-2.3 -5,-0.2 5,-0.8 0.890 108.6 49.9 -50.8 -48.5 11.8 47.4 61.2 183 395 A I H X5S+ 0 0 6 -4,-2.0 4,-1.6 3,-0.2 7,-0.3 0.951 114.7 46.1 -55.3 -50.3 9.3 44.8 62.6 184 396 A R H <5S+ 0 0 146 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.956 124.1 30.7 -56.3 -58.1 10.4 45.7 66.1 185 397 A I H <5S+ 0 0 50 -4,-3.0 -3,-0.2 1,-0.1 -2,-0.2 0.965 134.5 21.9 -68.2 -59.3 10.4 49.5 65.7 186 398 A Q H <5S+ 0 0 110 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.526 103.9 79.7 -93.9 -8.7 7.6 50.1 63.1 187 399 A H ><< - 0 0 28 -4,-1.6 3,-1.6 -5,-0.8 2,-0.1 -0.744 65.7-153.3-109.7 91.8 5.3 47.1 63.2 188 400 A P T 3 S+ 0 0 113 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.366 81.5 12.4 -60.8 124.6 2.9 47.2 66.2 189 401 A G T 3 S+ 0 0 53 -2,-0.1 2,-0.5 -5,-0.1 3,-0.3 0.636 89.9 123.9 84.6 15.9 1.9 43.7 67.3 190 402 A G < + 0 0 11 -3,-1.6 4,-0.5 -7,-0.3 -3,-0.1 -0.428 15.5 130.1-108.8 61.6 4.5 41.8 65.2 191 403 A R S S+ 0 0 198 -2,-0.5 4,-0.2 1,-0.1 -1,-0.2 0.847 87.0 27.8 -78.2 -34.5 6.4 39.7 67.8 192 404 A L S > S+ 0 0 112 -3,-0.3 4,-1.9 2,-0.1 3,-0.3 0.634 96.0 96.5 -99.2 -18.8 6.1 36.4 65.8 193 405 A L H > S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.845 79.4 53.6 -37.1 -60.1 5.9 38.0 62.3 194 406 A Y H > S+ 0 0 47 -4,-0.5 4,-2.8 1,-0.3 3,-0.4 0.934 110.3 46.3 -44.1 -60.9 9.6 37.7 61.5 195 407 A A H > S+ 0 0 66 -3,-0.3 4,-1.8 1,-0.3 -1,-0.3 0.857 112.0 52.9 -52.6 -38.1 9.7 33.9 62.2 196 408 A K H X S+ 0 0 99 -4,-1.9 4,-1.8 -3,-0.3 -1,-0.3 0.881 109.9 48.7 -65.6 -38.7 6.5 33.6 60.2 197 409 A M H X S+ 0 0 1 -4,-2.6 4,-0.9 -3,-0.4 -2,-0.2 0.944 110.2 48.2 -66.8 -50.6 8.1 35.4 57.2 198 410 A I H >X S+ 0 0 78 -4,-2.8 4,-0.9 1,-0.2 3,-0.9 0.878 107.6 59.2 -57.7 -35.3 11.3 33.3 57.3 199 411 A Q H >X S+ 0 0 103 -4,-1.8 3,-1.8 -5,-0.3 4,-1.3 0.956 97.8 58.6 -55.8 -50.2 8.9 30.4 57.4 200 412 A K H 3X S+ 0 0 28 -4,-1.8 4,-1.5 1,-0.3 -1,-0.3 0.752 96.6 63.0 -51.9 -28.0 7.4 31.5 54.1 201 413 A L H < S+ 0 0 12 -4,-1.9 3,-1.3 1,-0.2 7,-0.5 0.926 110.9 48.9 -53.9 -51.6 6.4 20.7 29.8 219 431 A S H 3< S+ 0 0 28 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.784 101.8 62.2 -64.0 -29.8 9.7 21.8 28.3 220 432 A F H 3< S+ 0 0 155 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.631 91.0 75.9 -72.4 -12.1 10.7 18.4 27.0 221 433 A Q S XX S- 0 0 83 -3,-1.3 3,-2.8 -4,-0.6 4,-2.0 -0.846 72.8-158.6-104.1 98.2 7.6 18.3 24.8 222 434 A P H 3> S+ 0 0 87 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.633 88.5 64.1 -47.0 -25.6 8.5 20.7 21.8 223 435 A E H 34 S+ 0 0 108 2,-0.2 -4,-0.1 1,-0.1 -5,-0.0 0.713 115.0 33.9 -75.5 -18.5 4.8 21.3 21.0 224 436 A H H X4 S+ 0 0 31 -3,-2.8 3,-2.3 -6,-0.3 4,-0.4 0.834 113.3 54.8 -99.5 -47.7 4.6 22.9 24.4 225 437 A S H >< S+ 0 0 23 -4,-2.0 3,-1.1 -7,-0.5 -2,-0.2 0.775 99.5 65.7 -59.1 -24.6 8.0 24.5 24.8 226 438 A M T 3< S+ 0 0 132 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.1 0.707 95.7 57.8 -70.7 -17.5 7.4 26.3 21.5 227 439 A Q T < S+ 0 0 66 -3,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.587 95.5 82.5 -86.0 -12.2 4.6 28.1 23.2 228 440 A L S < S- 0 0 17 -3,-1.1 -180,-0.1 -4,-0.4 -181,-0.0 -0.125 83.9-106.1 -81.2-178.3 7.0 29.5 25.8 229 441 A T > - 0 0 14 -182,-0.2 4,-2.8 1,-0.1 5,-0.3 -0.820 23.2-113.4-112.7 154.4 9.3 32.6 25.4 230 442 A P H > S+ 0 0 93 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.893 117.6 49.8 -50.3 -44.7 13.0 32.7 24.9 231 443 A L H > S+ 0 0 11 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.921 111.3 47.4 -62.4 -45.9 13.6 34.4 28.3 232 444 A V H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.940 112.1 50.0 -60.0 -48.6 11.4 31.8 30.1 233 445 A L H < S+ 0 0 73 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.821 115.1 45.8 -59.4 -31.5 13.2 28.9 28.3 234 446 A E H < S+ 0 0 18 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.900 114.6 44.0 -79.0 -43.6 16.5 30.6 29.4 235 447 A V H < S+ 0 0 3 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.843 125.4 33.1 -70.4 -36.9 15.7 31.3 33.0 236 448 A F S < S+ 0 0 37 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.410 99.4 109.3 -99.7 -1.5 14.1 27.9 33.7 237 449 A G S S- 0 0 24 -5,-0.3 -3,-0.1 -4,-0.3 -21,-0.0 -0.208 70.9-130.1 -70.7 167.4 16.4 26.1 31.3 238 450 A S + 0 0 108 -5,-0.1 -1,-0.1 2,-0.0 -4,-0.1 0.475 62.3 125.7 -98.8 -4.2 19.1 23.7 32.5 239 451 A E 0 0 59 1,-0.1 -2,-0.0 -5,-0.1 0, 0.0 -0.268 360.0 360.0 -54.5 141.1 22.1 25.1 30.4 240 452 A V 0 0 131 2,-0.0 -1,-0.1 3,-0.0 -3,-0.0 0.712 360.0 360.0-119.8 360.0 24.9 25.9 32.8 241 !* 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 0.0 242 687 B K 0 0 63 0, 0.0 -8,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -90.6 24.7 30.6 27.2 243 688 B H > + 0 0 17 3,-0.1 4,-2.0 1,-0.1 5,-0.2 0.881 360.0 158.3 61.5 41.0 22.4 33.0 29.0 244 689 B K H > + 0 0 132 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.905 69.2 46.9 -59.9 -48.8 22.7 35.6 26.3 245 690 B I H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.900 111.4 49.5 -64.5 -45.2 19.4 37.4 27.2 246 691 B L H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 107.5 54.3 -62.3 -44.1 20.0 37.5 31.0 247 692 B H H < S+ 0 0 77 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.886 112.6 46.3 -56.7 -37.4 23.6 38.9 30.5 248 693 B R H >< S+ 0 0 192 -4,-1.4 3,-1.8 1,-0.2 -2,-0.2 0.946 111.6 47.6 -70.7 -50.3 21.9 41.7 28.5 249 694 B L H 3< S+ 0 0 55 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.782 104.9 61.4 -62.7 -27.2 19.1 42.5 30.8 250 695 B L T 3< 0 0 12 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.235 360.0 360.0 -83.0 16.6 21.5 42.6 33.7 251 696 B Q < 0 0 83 -3,-1.8 -2,-0.2 -5,-0.1 -1,-0.1 0.749 360.0 360.0 84.3 360.0 23.1 45.5 31.7