==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATION 15-JUN-06 2HC4 . COMPND 2 MOLECULE: VITAMIN D RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; . AUTHOR F.CIESIELSKI,N.ROCHEL,D.MORAS . 249 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 74.3 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 . 8 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.5 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 2 0 0 0 2 0 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 0 194 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-144.2 15.8 51.7 69.3 2 155 A M - 0 0 135 184,-0.0 180,-0.1 0, 0.0 179,-0.0 -0.958 360.0 -87.6-164.0 146.9 15.4 53.1 65.7 3 156 A L - 0 0 31 -2,-0.3 2,-0.1 1,-0.1 175,-0.0 -0.065 41.4-121.7 -55.2 154.7 16.7 52.4 62.2 4 157 A S > - 0 0 54 1,-0.1 4,-2.6 0, 0.0 5,-0.2 -0.456 24.6-107.4 -92.6 168.8 20.0 53.7 60.9 5 158 A D H > S+ 0 0 125 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.944 121.7 48.0 -62.6 -47.2 20.5 55.9 57.9 6 159 A E H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 113.2 48.7 -58.4 -46.3 22.0 53.1 55.9 7 160 A Q H > S+ 0 0 38 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.898 113.6 46.6 -59.6 -42.1 19.2 50.8 56.9 8 161 A M H X S+ 0 0 71 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.849 109.4 54.2 -70.3 -34.5 16.6 53.4 56.0 9 162 A Q H X S+ 0 0 119 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.836 105.5 53.4 -68.4 -33.3 18.3 54.1 52.6 10 163 A I H X S+ 0 0 11 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.893 108.7 50.0 -66.5 -40.7 18.1 50.5 51.7 11 164 A I H X S+ 0 0 10 -4,-1.5 4,-2.6 1,-0.2 5,-0.2 0.925 109.7 50.9 -64.2 -43.2 14.4 50.5 52.4 12 165 A N H X S+ 0 0 95 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.910 110.0 49.8 -59.9 -45.3 14.0 53.6 50.2 13 166 A S H X S+ 0 0 56 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.907 113.7 44.8 -60.7 -45.7 15.9 52.0 47.4 14 167 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.904 111.7 50.5 -68.1 -44.5 13.8 48.8 47.5 15 168 A V H X S+ 0 0 22 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.925 115.6 43.6 -60.3 -43.8 10.4 50.5 47.8 16 169 A E H X S+ 0 0 119 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.854 110.7 55.2 -69.4 -36.2 11.2 52.7 44.8 17 170 A A H < S+ 0 0 1 -4,-1.9 4,-0.4 -5,-0.2 -2,-0.2 0.947 110.8 45.7 -60.6 -48.7 12.6 49.8 42.8 18 171 A H H >X S+ 0 0 4 -4,-2.6 3,-1.1 1,-0.2 4,-0.7 0.878 110.0 53.5 -61.9 -40.9 9.4 47.9 43.3 19 172 A H H 3< S+ 0 0 100 -4,-2.0 3,-0.5 1,-0.3 -1,-0.2 0.872 109.3 50.5 -62.6 -33.9 7.3 50.9 42.4 20 173 A K T 3< S+ 0 0 131 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.515 117.8 38.0 -81.6 -7.1 9.3 51.2 39.2 21 174 A T T <4 S+ 0 0 11 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.2 0.263 107.0 65.1-127.4 11.5 8.7 47.5 38.3 22 175 A Y < - 0 0 21 -4,-0.7 2,-0.6 -3,-0.5 -1,-0.2 -0.781 58.4-163.1-142.8 100.4 5.1 46.8 39.4 23 176 A D > - 0 0 50 -2,-0.3 3,-0.7 1,-0.1 5,-0.1 -0.685 6.3-160.8 -84.0 117.3 2.0 48.4 37.9 24 177 A D T 3 S+ 0 0 107 -2,-0.6 -1,-0.1 1,-0.2 0, 0.0 0.550 92.6 54.8 -72.9 -6.8 -1.1 48.1 40.0 25 178 A S T 3 S- 0 0 78 80,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.659 92.9-147.0 -96.5 -20.3 -3.3 48.8 37.0 26 179 A Y X + 0 0 26 -3,-0.7 3,-1.4 1,-0.1 4,-0.1 0.816 39.1 156.4 58.3 34.5 -1.7 46.0 34.9 27 180 A S G > + 0 0 75 1,-0.3 3,-1.0 2,-0.1 4,-0.1 0.745 61.8 65.9 -63.7 -23.4 -2.2 48.0 31.7 28 181 A D G > S+ 0 0 41 1,-0.2 3,-2.7 2,-0.1 4,-0.3 0.723 76.5 87.7 -70.6 -20.8 0.6 46.1 29.9 29 182 A F G X S+ 0 0 10 -3,-1.4 3,-0.9 1,-0.3 -1,-0.2 0.642 74.9 68.3 -54.6 -17.0 -1.4 42.8 30.0 30 183 A V G < S+ 0 0 111 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.705 90.1 62.5 -77.2 -17.8 -3.2 43.7 26.8 31 184 A R G < S+ 0 0 181 -3,-2.7 -1,-0.2 -4,-0.1 2,-0.2 0.576 88.7 94.5 -81.7 -6.0 0.1 43.3 24.9 32 185 A F S < S- 0 0 18 -3,-0.9 13,-0.1 -4,-0.3 14,-0.1 -0.538 97.4 -89.2 -83.9 150.0 0.1 39.6 26.0 33 186 A R - 0 0 76 11,-0.4 -1,-0.1 -2,-0.2 15,-0.1 -0.355 64.0 -94.3 -54.7 130.6 -1.2 36.9 23.8 34 187 A P - 0 0 95 0, 0.0 11,-0.3 0, 0.0 -1,-0.1 -0.098 37.8-114.0 -51.6 145.3 -4.9 36.7 24.8 35 188 A P - 0 0 17 0, 0.0 2,-0.4 0, 0.0 7,-0.1 -0.447 29.2-156.0 -77.0 158.6 -6.0 34.2 27.5 36 189 A V 0 0 77 5,-0.1 7,-0.1 1,-0.1 9,-0.1 -0.942 360.0 360.0-143.3 118.6 -8.3 31.4 26.4 37 190 A R 0 0 105 -2,-0.4 4,-0.1 4,-0.1 -1,-0.1 0.786 360.0 360.0-104.0 360.0 -10.7 29.4 28.6 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 0 229 0, 0.0 79,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 107.1 -4.8 21.4 25.1 40 252 A L > + 0 0 20 1,-0.1 3,-1.1 77,-0.1 78,-0.1 0.947 360.0 171.9 58.2 54.1 -3.3 24.1 27.4 41 253 A S T 3 S+ 0 0 42 1,-0.2 4,-0.3 2,-0.1 78,-0.1 0.720 74.5 53.1 -65.2 -24.3 -5.2 27.0 26.0 42 254 A M T 3> S+ 0 0 0 76,-1.6 4,-2.3 73,-0.2 5,-0.3 0.552 83.4 90.7 -88.8 -8.8 -4.0 29.3 28.8 43 255 A L H <> S+ 0 0 7 -3,-1.1 4,-2.2 75,-1.0 5,-0.2 0.869 81.7 53.8 -57.0 -42.4 -0.3 28.6 28.2 44 256 A P H > S+ 0 0 21 0, 0.0 4,-1.7 0, 0.0 -11,-0.4 0.912 113.2 42.1 -60.8 -43.2 0.3 31.4 25.7 45 257 A H H > S+ 0 0 0 -4,-0.3 4,-2.3 -11,-0.3 -2,-0.2 0.924 116.6 46.4 -70.2 -45.7 -1.1 34.1 27.9 46 258 A L H X S+ 0 0 22 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.823 109.4 56.0 -68.3 -28.4 0.6 32.8 31.1 47 259 A A H X S+ 0 0 5 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.938 110.4 44.9 -67.3 -44.9 3.9 32.4 29.3 48 260 A D H X S+ 0 0 27 -4,-1.7 4,-2.7 -5,-0.2 5,-0.2 0.885 112.6 52.3 -65.4 -36.2 3.8 36.0 28.3 49 261 A L H X S+ 0 0 29 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.918 113.7 42.4 -64.9 -46.4 2.7 37.0 31.8 50 262 A V H X S+ 0 0 39 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.905 114.5 51.2 -67.0 -40.8 5.6 35.2 33.4 51 263 A S H X S+ 0 0 12 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.914 112.0 46.6 -62.7 -44.5 8.1 36.4 30.7 52 264 A Y H X S+ 0 0 21 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.954 113.0 51.3 -61.7 -47.4 7.0 40.0 31.3 53 265 A S H X S+ 0 0 12 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.853 104.1 55.2 -60.0 -38.8 7.3 39.4 35.0 54 266 A I H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.944 105.2 54.2 -59.7 -46.0 10.8 38.0 34.8 55 267 A Q H X S+ 0 0 97 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.875 110.9 46.7 -53.2 -39.1 11.8 41.2 33.0 56 268 A K H X S+ 0 0 57 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.850 108.5 53.1 -71.4 -39.3 10.4 43.1 36.0 57 269 A V H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.886 109.2 51.5 -64.6 -35.9 12.1 40.9 38.6 58 270 A I H X S+ 0 0 5 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.903 108.9 49.7 -65.1 -45.5 15.4 41.6 36.8 59 271 A G H < S+ 0 0 20 -4,-1.7 4,-0.5 -5,-0.2 -2,-0.2 0.921 113.7 45.4 -61.3 -43.5 14.7 45.4 36.9 60 272 A F H >< S+ 0 0 3 -4,-2.4 3,-1.0 1,-0.2 4,-0.2 0.896 111.1 55.3 -65.2 -40.1 14.0 45.2 40.6 61 273 A A H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.903 99.4 57.8 -60.0 -46.9 17.0 42.9 41.2 62 274 A K T 3< S+ 0 0 50 -4,-2.4 -1,-0.3 1,-0.3 6,-0.2 0.671 107.2 51.6 -60.5 -15.9 19.5 45.4 39.6 63 275 A M T < S+ 0 0 62 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.412 78.3 110.3-103.1 0.9 18.3 47.9 42.2 64 276 A I S X> S- 0 0 3 -3,-2.1 3,-1.8 -4,-0.2 4,-0.7 -0.660 84.4-105.6 -75.0 124.2 18.8 45.7 45.2 65 277 A P T 34 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.333 101.3 9.5 -56.9 115.3 21.8 47.2 47.1 66 278 A G T 34 S+ 0 0 19 -2,-0.2 3,-0.5 -4,-0.1 4,-0.4 0.123 101.7 98.2 103.7 -19.9 24.9 45.1 46.6 67 279 A F T X4 S+ 0 0 0 -3,-1.8 3,-1.7 1,-0.2 -5,-0.1 0.922 77.7 54.8 -67.0 -46.9 23.4 42.8 44.0 68 280 A R T 3< S+ 0 0 132 -4,-0.7 -1,-0.2 1,-0.3 -6,-0.1 0.657 99.7 63.6 -65.7 -12.9 24.9 44.5 40.9 69 281 A D T 3 S+ 0 0 124 -3,-0.5 -1,-0.3 2,-0.1 -2,-0.2 0.675 84.2 95.5 -83.2 -17.5 28.4 44.2 42.5 70 282 A L S < S- 0 0 6 -3,-1.7 -4,-0.0 -4,-0.4 2,-0.0 -0.252 94.2 -87.1 -66.8 160.1 28.1 40.4 42.3 71 283 A T > - 0 0 67 1,-0.1 4,-2.2 4,-0.0 3,-0.4 -0.373 35.9-114.6 -67.0 151.3 29.7 38.7 39.2 72 284 A A H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.858 118.2 59.0 -54.6 -33.9 27.4 38.4 36.2 73 285 A E H > S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.911 107.7 42.4 -63.1 -44.7 27.6 34.7 36.8 74 286 A D H > S+ 0 0 2 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.808 111.1 56.2 -72.9 -30.0 26.2 34.9 40.4 75 287 A Q H X S+ 0 0 14 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.952 111.4 43.9 -64.4 -48.0 23.5 37.4 39.3 76 288 A I H X S+ 0 0 7 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.920 112.3 52.4 -62.3 -43.2 22.3 34.9 36.7 77 289 A A H X S+ 0 0 13 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.903 113.0 45.0 -60.9 -42.0 22.5 32.0 39.2 78 290 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 5,-0.3 0.938 115.2 46.8 -67.6 -46.8 20.5 33.9 41.7 79 291 A L H X S+ 0 0 3 -4,-2.9 4,-3.0 1,-0.2 3,-0.3 0.959 111.3 50.9 -59.6 -53.3 17.9 35.1 39.1 80 292 A K H < S+ 0 0 32 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.859 116.4 39.3 -55.0 -41.1 17.4 31.7 37.5 81 293 A S H < S+ 0 0 19 -4,-1.6 -1,-0.2 -5,-0.3 4,-0.2 0.722 126.1 33.6 -85.0 -20.4 16.8 29.9 40.8 82 294 A S H >X S+ 0 0 0 -4,-1.8 4,-2.6 -3,-0.3 3,-1.2 0.705 89.6 91.2-106.0 -23.5 14.7 32.5 42.5 83 295 A A H 3X S+ 0 0 2 -4,-3.0 4,-2.1 -5,-0.3 5,-0.2 0.839 88.8 50.5 -37.7 -53.3 12.8 34.1 39.6 84 296 A I H 3> S+ 0 0 12 -4,-0.4 4,-1.6 1,-0.2 -1,-0.3 0.872 114.1 45.0 -58.1 -39.4 9.9 31.7 40.0 85 297 A E H <> S+ 0 0 1 -3,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.888 110.1 53.0 -73.3 -39.5 9.7 32.4 43.8 86 298 A I H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.847 109.3 52.4 -63.6 -33.2 10.0 36.2 43.4 87 299 A I H X S+ 0 0 23 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.907 108.1 47.9 -68.9 -43.1 7.1 36.0 40.9 88 300 A M H < S+ 0 0 11 -4,-1.6 4,-0.5 1,-0.2 -2,-0.2 0.851 114.0 50.6 -65.8 -34.3 4.8 34.0 43.3 89 301 A L H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 4,-0.2 0.941 112.4 42.3 -69.1 -50.8 5.7 36.6 46.0 90 302 A R H >< S+ 0 0 16 -4,-2.5 3,-1.3 1,-0.2 4,-0.2 0.754 104.5 67.1 -69.3 -24.0 5.0 39.7 43.9 91 303 A S G >X S+ 0 0 24 -4,-1.8 3,-2.1 1,-0.3 4,-0.8 0.707 81.0 78.2 -68.5 -20.5 1.8 38.2 42.6 92 304 A N G <4 S+ 0 0 13 -3,-1.0 3,-0.3 -4,-0.5 -1,-0.3 0.769 80.7 68.8 -59.4 -25.6 0.3 38.3 46.1 93 305 A Q G <4 S+ 0 0 53 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.728 107.2 37.8 -65.3 -22.9 -0.3 42.0 45.4 94 306 A S T <4 S+ 0 0 13 -3,-2.1 9,-3.0 -4,-0.2 -1,-0.2 0.499 95.3 106.1-105.4 -8.2 -2.9 40.9 42.9 95 307 A F E < -A 102 0A 4 -4,-0.8 2,-0.4 -3,-0.3 7,-0.3 -0.449 54.4-156.5 -74.5 147.2 -4.3 37.9 44.9 96 308 A S E >> -A 101 0A 22 5,-2.5 4,-1.2 -2,-0.1 5,-1.0 -0.982 17.1-158.5-130.2 123.1 -7.6 38.3 46.6 97 309 A L T 45S+ 0 0 69 -2,-0.4 -1,-0.1 2,-0.2 37,-0.0 0.825 92.9 63.8 -65.7 -30.8 -8.8 36.2 49.6 98 310 A E T 45S+ 0 0 183 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.975 121.4 16.1 -56.8 -60.5 -12.4 37.0 48.6 99 311 A D T 45S- 0 0 70 2,-0.2 -1,-0.2 13,-0.0 -2,-0.2 0.325 98.2-126.2 -99.2 8.0 -12.4 35.2 45.3 100 312 A M T <5S+ 0 0 88 -4,-1.2 13,-0.4 1,-0.2 2,-0.3 0.881 74.0 102.4 50.1 44.6 -9.2 33.1 45.8 101 313 A S E S+ 0 0 110 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.820 139.4 60.2 -72.1 -26.8 -13.1 38.8 33.4 108 320 A D T 3 S+ 0 0 88 1,-0.2 -72,-0.0 3,-0.0 -2,-0.0 0.936 105.3 40.9 -64.7 -53.7 -10.0 38.2 31.2 109 321 A F T 3 S+ 0 0 32 2,-0.1 -5,-2.7 -74,-0.0 2,-0.6 0.019 86.6 104.9 -91.3 29.1 -7.2 39.0 33.6 110 322 A K E < -B 103 0A 58 -3,-0.8 2,-0.6 -7,-0.2 -7,-0.2 -0.949 60.2-154.0-107.9 116.6 -8.6 37.3 36.7 111 323 A Y E -B 102 0A 8 -9,-3.2 -9,-2.1 -2,-0.6 2,-0.2 -0.835 13.3-175.8-103.8 123.2 -6.7 34.0 37.2 112 324 A C > - 0 0 46 -2,-0.6 4,-1.5 -11,-0.2 3,-0.3 -0.633 43.8-103.3-105.8 165.1 -8.2 31.0 39.0 113 325 A I H > S+ 0 0 56 -13,-0.4 4,-1.3 1,-0.2 3,-0.4 0.925 122.9 58.1 -52.3 -44.9 -6.6 27.7 39.9 114 326 A N H >> S+ 0 0 90 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.898 100.5 54.4 -51.8 -48.6 -8.6 26.3 37.0 115 327 A D H >4 S+ 0 0 7 -3,-0.3 3,-0.6 1,-0.3 -1,-0.2 0.872 105.9 52.1 -56.1 -40.6 -7.0 28.6 34.5 116 328 A V H ><>S+ 0 0 22 -4,-1.5 3,-1.8 -3,-0.4 5,-1.2 0.785 99.4 65.1 -67.7 -26.8 -3.5 27.6 35.5 117 329 A T H X<5S+ 0 0 56 -4,-1.3 3,-1.5 -3,-0.6 -1,-0.3 0.866 96.0 57.8 -61.8 -34.7 -4.5 24.0 35.0 118 330 A K T <<5S+ 0 0 50 -4,-1.0 -76,-1.6 -3,-0.6 -75,-1.0 0.252 96.2 64.0 -81.1 13.6 -4.9 24.9 31.3 119 331 A A T < 5S- 0 0 4 -3,-1.8 -1,-0.3 -77,-0.2 -2,-0.2 0.302 128.4 -90.7-113.4 2.6 -1.2 26.0 31.3 120 332 A G T < 5S+ 0 0 26 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.629 86.6 123.7 99.0 16.9 -0.0 22.5 32.0 121 333 A H < - 0 0 21 -5,-1.2 -1,-0.3 -4,-0.1 -2,-0.2 -0.825 44.9-143.2-113.5 152.6 0.1 22.5 35.8 122 334 A T >> - 0 0 73 -2,-0.3 4,-2.3 1,-0.1 3,-1.8 -0.517 32.5-102.7-107.1 173.1 -1.6 20.2 38.4 123 335 A L H 3> S+ 0 0 101 1,-0.3 4,-2.5 2,-0.2 -1,-0.1 0.787 112.8 79.9 -62.8 -27.2 -3.2 20.6 41.8 124 336 A E H 34 S+ 0 0 121 1,-0.2 -1,-0.3 2,-0.2 86,-0.1 0.794 112.6 19.7 -49.5 -29.5 0.1 19.1 43.1 125 337 A L H <> S+ 0 0 4 -3,-1.8 4,-2.0 2,-0.1 -2,-0.2 0.812 123.4 54.5-105.3 -53.3 1.4 22.7 42.6 126 338 A L H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.802 101.1 60.0 -55.2 -36.8 -1.6 24.9 42.5 127 339 A E H X S+ 0 0 97 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.982 111.5 38.1 -59.7 -56.7 -3.1 23.8 45.9 128 340 A P H > S+ 0 0 40 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.850 114.0 58.3 -62.8 -32.8 -0.0 24.8 47.9 129 341 A L H X S+ 0 0 17 -4,-2.0 4,-3.3 2,-0.2 -2,-0.2 0.980 111.3 38.7 -60.1 -58.4 0.4 27.9 45.8 130 342 A V H X S+ 0 0 10 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.892 116.2 53.5 -59.9 -38.4 -3.1 29.3 46.6 131 343 A K H X S+ 0 0 141 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.890 111.4 46.1 -63.2 -37.6 -2.6 28.0 50.1 132 344 A F H X S+ 0 0 7 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.922 110.1 52.8 -69.2 -45.8 0.6 30.0 50.2 133 345 A Q H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.887 110.2 49.5 -56.8 -40.7 -1.0 33.1 48.7 134 346 A V H X S+ 0 0 25 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.936 112.5 45.5 -64.9 -49.0 -3.7 32.9 51.3 135 347 A G H < S+ 0 0 18 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.919 114.5 47.9 -61.9 -44.8 -1.3 32.6 54.2 136 348 A L H >< S+ 0 0 1 -4,-2.8 3,-1.4 1,-0.2 5,-0.5 0.888 108.4 54.5 -64.0 -40.4 1.0 35.4 53.0 137 349 A K H >< S+ 0 0 68 -4,-2.1 3,-1.8 -5,-0.3 -1,-0.2 0.898 101.8 60.1 -60.4 -40.1 -2.0 37.8 52.3 138 350 A K T 3< S+ 0 0 140 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.588 89.2 70.3 -65.2 -12.1 -3.0 37.3 55.9 139 351 A L T < S- 0 0 28 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.485 89.3-150.4 -83.9 -0.8 0.3 38.7 57.2 140 352 A K < - 0 0 164 -3,-1.8 -3,-0.1 -4,-0.1 -2,-0.1 0.770 22.9-162.2 33.7 43.9 -0.9 42.1 55.9 141 353 A L - 0 0 30 -5,-0.5 2,-0.2 1,-0.1 -1,-0.1 -0.010 17.0-114.1 -50.2 152.1 2.8 43.0 55.3 142 354 A H >> - 0 0 59 1,-0.1 4,-2.6 -3,-0.1 3,-0.8 -0.592 31.8-108.4 -84.6 154.9 3.7 46.7 54.9 143 355 A E H 3> S+ 0 0 74 1,-0.3 4,-2.3 -2,-0.2 5,-0.2 0.845 122.6 56.0 -51.5 -33.5 5.0 47.5 51.4 144 356 A E H 3> S+ 0 0 59 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.859 108.7 43.7 -68.7 -38.0 8.4 47.8 53.1 145 357 A E H <> S+ 0 0 0 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.841 113.3 53.0 -75.9 -33.5 8.3 44.3 54.5 146 358 A H H X S+ 0 0 11 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.929 110.5 45.8 -66.8 -45.9 7.0 42.9 51.2 147 359 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.826 113.6 50.4 -66.9 -31.8 9.8 44.5 49.2 148 360 A L H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 5,-0.2 0.885 105.8 55.6 -73.5 -38.4 12.4 43.3 51.8 149 361 A L H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.819 109.3 47.8 -63.4 -31.3 11.0 39.7 51.7 150 362 A M H X S+ 0 0 2 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.899 112.3 47.2 -76.8 -40.4 11.6 39.8 47.9 151 363 A A H X S+ 0 0 0 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.893 113.7 49.4 -66.4 -38.2 15.1 41.1 48.2 152 364 A I H < S+ 0 0 0 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.904 110.5 49.5 -66.5 -42.1 15.9 38.5 50.9 153 365 A C H >< S+ 0 0 0 -4,-1.7 3,-0.9 1,-0.2 -1,-0.2 0.870 109.9 52.1 -64.6 -37.8 14.5 35.7 48.8 154 366 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.783 107.0 53.3 -70.0 -28.7 16.5 36.8 45.8 155 367 A L T 3< S+ 0 0 0 -4,-1.3 17,-0.3 -3,-0.2 -1,-0.3 -0.128 71.3 139.7-100.2 36.0 19.8 36.8 47.8 156 368 A S < - 0 0 3 -3,-0.9 3,-0.1 1,-0.2 13,-0.1 -0.727 40.6-159.4 -80.1 114.2 19.5 33.3 49.2 157 369 A P S S+ 0 0 13 0, 0.0 2,-1.5 0, 0.0 -1,-0.2 0.660 78.4 86.7 -69.0 -12.9 23.0 31.9 49.0 158 370 A D + 0 0 94 11,-0.0 -2,-0.1 2,-0.0 -3,-0.0 -0.309 65.2 117.2 -83.2 52.8 21.5 28.4 49.1 159 371 A R S > S- 0 0 11 -2,-1.5 3,-1.7 -3,-0.1 -81,-0.1 -0.960 71.7-105.7-123.6 139.5 21.0 28.3 45.3 160 372 A P T 3 S+ 0 0 112 0, 0.0 -79,-0.1 0, 0.0 3,-0.1 -0.349 104.0 24.4 -63.2 140.4 22.6 25.9 42.8 161 373 A G T 3 S+ 0 0 54 1,-0.3 -84,-0.2 2,-0.0 2,-0.1 0.335 84.5 138.3 90.5 -8.1 25.3 27.4 40.7 162 374 A V < + 0 0 23 -3,-1.7 -1,-0.3 -85,-0.2 3,-0.2 -0.465 25.4 178.0 -72.5 144.1 26.2 30.2 43.2 163 375 A Q S S+ 0 0 135 -2,-0.1 2,-3.7 1,-0.1 -1,-0.1 0.756 72.1 45.9-106.8 -77.5 29.9 30.8 43.6 164 376 A D >> + 0 0 65 1,-0.2 4,-1.9 2,-0.1 3,-0.6 -0.251 67.2 157.0 -67.6 58.4 30.7 33.7 46.0 165 377 A H H 3> + 0 0 108 -2,-3.7 4,-0.8 1,-0.2 -1,-0.2 0.482 64.7 64.6 -67.4 0.3 28.1 32.3 48.4 166 378 A V H 3> S+ 0 0 103 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.887 105.3 38.7 -87.7 -46.1 30.0 34.1 51.2 167 379 A R H <> S+ 0 0 113 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.854 117.5 50.8 -71.5 -36.0 29.3 37.6 50.0 168 380 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.955 108.3 53.5 -63.8 -48.9 25.7 36.7 48.9 169 381 A E H X S+ 0 0 84 -4,-0.8 4,-1.7 1,-0.2 -2,-0.2 0.898 110.0 48.1 -49.9 -46.7 25.3 35.2 52.4 170 382 A A H X S+ 0 0 48 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.929 109.7 51.0 -63.5 -47.4 26.4 38.5 53.9 171 383 A L H X S+ 0 0 12 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.923 108.8 50.5 -58.1 -46.8 24.1 40.6 51.7 172 384 A Q H X S+ 0 0 24 -4,-2.7 4,-2.7 -17,-0.3 -1,-0.2 0.907 109.6 54.3 -58.4 -39.2 21.0 38.5 52.6 173 385 A D H X S+ 0 0 74 -4,-1.7 4,-1.7 -5,-0.3 -2,-0.2 0.899 104.8 50.9 -61.7 -44.5 22.0 39.0 56.3 174 386 A R H X S+ 0 0 87 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.907 112.9 46.9 -62.2 -39.5 22.1 42.8 56.1 175 387 A L H X S+ 0 0 1 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.932 108.7 54.3 -65.9 -45.2 18.6 42.8 54.5 176 388 A C H X S+ 0 0 12 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.822 107.1 53.7 -56.3 -32.2 17.4 40.4 57.2 177 389 A D H X S+ 0 0 97 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.898 108.6 47.5 -69.7 -42.5 18.7 42.8 59.7 178 390 A V H X S+ 0 0 0 -4,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.943 112.3 49.0 -65.4 -47.0 16.7 45.7 58.2 179 391 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.920 113.2 47.9 -58.6 -44.2 13.5 43.6 58.0 180 392 A Q H X S+ 0 0 102 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.932 114.1 45.1 -63.0 -48.4 13.9 42.5 61.6 181 393 A A H X S+ 0 0 10 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.962 113.1 51.9 -60.2 -50.8 14.6 46.1 62.9 182 394 A Y H X>S+ 0 0 15 -4,-3.1 4,-3.9 1,-0.2 5,-0.7 0.915 109.5 47.9 -51.5 -52.6 11.7 47.5 60.8 183 395 A I H X5S+ 0 0 4 -4,-2.6 4,-1.5 -5,-0.2 7,-0.3 0.930 115.8 44.9 -54.7 -49.2 9.2 45.0 62.1 184 396 A R H <5S+ 0 0 137 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.907 125.2 31.9 -62.2 -45.0 10.2 45.6 65.7 185 397 A I H <5S+ 0 0 45 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.873 133.0 23.8 -84.2 -40.9 10.3 49.4 65.3 186 398 A Q H <5S+ 0 0 103 -4,-3.9 -3,-0.2 -5,-0.3 -2,-0.2 0.511 107.2 72.0-107.7 -5.7 7.6 50.2 62.8 187 399 A H ><< - 0 0 27 -4,-1.5 3,-1.6 -5,-0.7 -1,-0.1 -0.818 68.0-149.8-120.9 96.6 5.2 47.3 62.9 188 400 A P T 3 S+ 0 0 108 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.339 85.9 15.4 -59.9 132.3 2.9 47.0 66.1 189 401 A G T 3 S+ 0 0 55 -5,-0.1 3,-0.4 1,-0.1 4,-0.2 0.649 90.4 123.2 76.4 14.5 2.0 43.5 67.0 190 402 A G <> + 0 0 7 -3,-1.6 4,-0.6 -7,-0.3 -1,-0.1 -0.098 24.5 120.0 -99.1 36.3 4.7 42.2 64.7 191 403 A R T 4 S+ 0 0 178 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.909 87.7 27.8 -65.5 -42.3 6.5 40.2 67.4 192 404 A L T >> S+ 0 0 108 -3,-0.4 4,-1.6 1,-0.1 3,-0.7 0.739 98.6 94.2 -90.7 -24.9 6.1 36.9 65.6 193 405 A L H >> S+ 0 0 14 1,-0.2 4,-2.4 -4,-0.2 3,-0.8 0.814 79.6 53.3 -31.7 -67.3 5.9 38.4 62.1 194 406 A Y H 3X S+ 0 0 54 -4,-0.6 4,-2.1 1,-0.3 -1,-0.2 0.883 109.2 48.9 -39.9 -56.3 9.6 38.0 61.2 195 407 A A H <> S+ 0 0 67 -3,-0.7 4,-1.7 -4,-0.3 -1,-0.3 0.870 111.6 51.1 -55.2 -38.3 9.6 34.3 62.1 196 408 A K H X S+ 0 0 62 -4,-2.1 4,-1.2 -5,-0.2 3,-0.7 0.896 105.8 56.9 -67.9 -37.9 11.1 33.3 57.1 199 411 A Q H 3X S+ 0 0 108 -4,-1.7 4,-1.6 1,-0.3 -1,-0.2 0.862 101.1 58.5 -59.4 -34.1 8.8 30.3 57.1 200 412 A K H 3X S+ 0 0 31 -4,-1.3 4,-1.7 1,-0.2 -1,-0.3 0.837 98.5 58.2 -65.1 -31.9 7.3 31.7 53.9 201 413 A L H < S+ 0 0 10 -4,-1.9 3,-0.7 1,-0.2 7,-0.4 0.905 112.9 54.2 -59.0 -41.9 6.0 21.0 29.8 219 431 A S H 3< S+ 0 0 35 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.814 102.2 54.9 -63.4 -36.4 9.5 21.9 28.6 220 432 A F H 3< S+ 0 0 145 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.646 91.0 80.8 -77.0 -14.7 10.3 18.5 27.0 221 433 A Q XX - 0 0 83 -4,-0.8 4,-3.1 -3,-0.7 3,-2.0 -0.806 66.8-160.9 -95.6 103.1 7.2 18.5 24.8 222 434 A P H 3> S+ 0 0 85 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.822 89.1 63.6 -51.7 -34.8 8.1 20.8 21.8 223 435 A E H 34 S+ 0 0 103 1,-0.2 -5,-0.0 2,-0.2 -2,-0.0 0.833 117.1 31.1 -61.3 -27.3 4.4 21.3 20.9 224 436 A H H X4 S+ 0 0 27 -3,-2.0 3,-2.5 -6,-0.2 4,-0.5 0.856 114.9 56.2 -93.7 -46.6 4.2 23.0 24.3 225 437 A S H >< S+ 0 0 27 -4,-3.1 3,-1.1 -7,-0.4 -2,-0.2 0.789 97.9 65.7 -58.6 -26.7 7.7 24.5 24.7 226 438 A M T 3< S+ 0 0 141 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.1 0.640 95.7 59.1 -70.5 -12.4 7.1 26.3 21.3 227 439 A Q T < S+ 0 0 71 -3,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.607 93.0 82.1 -89.8 -15.1 4.4 28.2 23.2 228 440 A L S < S- 0 0 17 -3,-1.1 -180,-0.1 -4,-0.5 -181,-0.0 -0.078 83.3-108.3 -77.8-176.3 6.9 29.6 25.7 229 441 A T > - 0 0 15 -182,-0.1 4,-3.0 1,-0.1 5,-0.3 -0.833 23.1-110.5-116.6 157.0 9.1 32.7 25.2 230 442 A P H > S+ 0 0 92 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.925 119.1 48.1 -48.5 -51.3 12.9 32.8 24.7 231 443 A L H > S+ 0 0 11 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.902 112.1 47.9 -58.4 -45.5 13.4 34.5 28.1 232 444 A V H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 112.9 49.6 -62.3 -43.1 11.2 32.0 29.9 233 445 A L H < S+ 0 0 67 -4,-3.0 4,-0.4 1,-0.2 -2,-0.2 0.877 113.8 46.7 -62.3 -36.6 13.1 29.2 28.2 234 446 A E H < S+ 0 0 33 -4,-2.4 3,-0.4 -5,-0.3 -2,-0.2 0.928 115.1 43.1 -72.6 -46.5 16.4 30.7 29.2 235 447 A V H < S+ 0 0 2 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.847 122.8 36.3 -71.1 -35.3 15.6 31.4 32.8 236 448 A F S < S+ 0 0 35 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.359 98.2 105.4 -98.8 5.1 13.9 28.1 33.6 237 449 A G S S- 0 0 24 -4,-0.4 -3,-0.1 -3,-0.4 -21,-0.0 -0.413 72.0-131.0 -83.8 163.3 16.1 26.0 31.4 238 450 A S S S+ 0 0 112 -2,-0.1 2,-1.3 2,-0.1 -1,-0.1 0.373 74.1 109.8 -93.7 1.7 18.9 23.7 32.6 239 451 A E 0 0 71 -5,-0.1 4,-0.1 0, 0.0 -2,-0.1 -0.670 360.0 360.0 -81.2 94.6 21.6 25.1 30.3 240 452 A V 0 0 119 -2,-1.3 -2,-0.1 2,-0.1 -79,-0.0 -0.617 360.0 360.0-110.2 360.0 23.8 26.9 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 0.0 242 686 B R 0 0 85 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -37.2 25.1 31.2 27.3 243 687 B H > + 0 0 23 -4,-0.1 4,-2.5 3,-0.1 5,-0.2 0.917 360.0 171.8 64.8 44.2 22.2 33.2 28.7 244 688 B K H > S+ 0 0 176 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.903 75.0 43.6 -50.1 -47.9 22.4 35.7 25.9 245 689 B I H > S+ 0 0 53 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.936 111.7 49.5 -69.0 -49.4 19.2 37.4 27.0 246 690 B L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 111.8 51.8 -56.6 -42.1 19.8 37.5 30.8 247 691 B H H < S+ 0 0 78 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.951 111.2 45.5 -58.3 -52.9 23.2 39.0 30.2 248 692 B R H >< S+ 0 0 192 -4,-2.0 3,-1.3 -5,-0.2 -2,-0.2 0.908 113.7 49.1 -59.4 -43.8 21.9 41.7 28.0 249 693 B L H 3< S+ 0 0 57 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.822 102.9 59.1 -66.3 -34.1 19.0 42.6 30.3 250 694 B L T 3< 0 0 13 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.395 360.0 360.0 -74.6 7.9 21.3 42.7 33.3 251 695 B Q < 0 0 82 -3,-1.3 -1,-0.2 -5,-0.1 -2,-0.1 -0.362 360.0 360.0 69.9 360.0 22.9 45.4 31.2