==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 18-AUG-09 3IPS . COMPND 2 MOLECULE: OXYSTEROLS RECEPTOR LXR-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.FRADERA,D.VU,O.NIMZ,R.SKENE,D.HOSFIELD,R.WIJNANDS,A.J.COOK . 480 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 76.5 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 . 14 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 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 . 15 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 279 58.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 2 0 2 2 2 0 0 0 2 0 2 0 2 0 0 0 0 0 4 0 0 0 2 0 2 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 3 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 ANTIPARALLEL 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 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 1 205 A Q 0 0 223 0, 0.0 2,-0.2 0, 0.0 170,-0.1 0.000 360.0 360.0 360.0 135.0 4.2 -46.7 25.9 2 206 A L - 0 0 22 169,-0.3 166,-0.1 168,-0.1 0, 0.0 -0.463 360.0-142.1 -61.9 122.6 3.8 -42.9 26.6 3 207 A S > - 0 0 30 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.450 20.2-112.0 -83.4 160.9 2.6 -42.6 30.1 4 208 A P H > S+ 0 0 102 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.812 120.9 52.9 -54.4 -34.0 0.0 -40.0 31.2 5 209 A E H > S+ 0 0 146 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.870 110.1 45.4 -74.3 -39.2 2.8 -38.4 33.2 6 210 A Q H > S+ 0 0 26 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.846 111.8 54.5 -68.0 -37.7 5.1 -38.2 30.2 7 211 A L H X S+ 0 0 85 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.966 110.8 43.8 -59.5 -54.8 2.1 -36.9 28.1 8 212 A G H X S+ 0 0 33 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.857 113.6 50.5 -58.8 -41.9 1.4 -34.0 30.6 9 213 A M H X S+ 0 0 19 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.898 108.5 53.0 -62.7 -42.9 5.1 -33.1 30.9 10 214 A I H X S+ 0 0 9 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.830 111.1 45.4 -64.9 -36.5 5.5 -33.0 27.1 11 215 A E H X S+ 0 0 125 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.786 108.6 57.3 -75.3 -29.8 2.6 -30.6 26.7 12 216 A K H X S+ 0 0 122 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.928 109.9 45.1 -60.9 -47.7 3.9 -28.4 29.6 13 217 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.891 112.8 49.5 -63.7 -46.3 7.2 -28.0 27.8 14 218 A V H X S+ 0 0 24 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.957 114.9 44.6 -59.3 -51.9 5.5 -27.3 24.4 15 219 A A H < S+ 0 0 64 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.887 110.4 57.0 -56.5 -40.8 3.2 -24.7 26.1 16 220 A A H < S+ 0 0 16 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.919 110.2 42.8 -55.8 -46.2 6.3 -23.3 28.0 17 221 A Q H < 0 0 41 -4,-2.2 -1,-0.2 -3,-0.1 -2,-0.2 0.813 360.0 360.0 -75.4 -32.7 8.2 -22.6 24.7 18 222 A Q < 0 0 166 -4,-1.8 0, 0.0 -5,-0.2 0, 0.0 -0.392 360.0 360.0 -71.1 360.0 5.2 -21.1 22.8 19 ! 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 20 235 A V 0 0 108 0, 0.0 16,-0.1 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 126.4 16.3 -4.3 19.5 21 236 A T - 0 0 41 14,-0.2 18,-0.1 1,-0.1 0, 0.0 -0.283 360.0-127.9 -51.6 116.3 18.9 -2.3 17.5 22 237 A P - 0 0 103 0, 0.0 14,-0.1 0, 0.0 -1,-0.1 -0.067 21.0 -93.3 -74.7 175.7 17.7 -2.9 13.9 23 238 A W 0 0 45 1,-0.2 10,-0.1 13,-0.1 6,-0.0 -0.757 360.0 360.0 -97.2 114.0 19.8 -4.1 10.9 24 239 A P 0 0 97 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 0.991 360.0 360.0 -62.7 360.0 21.5 -1.5 8.5 25 ! 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 26 246 A S > 0 0 123 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 161.1 31.6 1.7 7.6 27 247 A R H > + 0 0 176 1,-0.2 4,-1.0 2,-0.2 5,-0.0 0.726 360.0 47.9 -71.0 -26.4 33.0 1.1 11.1 28 248 A E H > S+ 0 0 132 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.831 105.1 60.5 -75.1 -38.3 29.7 2.0 12.8 29 249 A A H 4 S+ 0 0 20 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.945 107.2 46.3 -49.1 -52.4 27.9 -0.3 10.3 30 250 A R H >X S+ 0 0 112 -4,-1.9 4,-2.0 1,-0.2 3,-0.7 0.866 112.3 50.4 -53.8 -44.7 29.9 -3.2 11.7 31 251 A Q H 3X S+ 0 0 69 -4,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.756 108.0 50.6 -73.2 -28.4 29.3 -2.2 15.3 32 252 A Q H 3< S+ 0 0 65 -4,-2.1 4,-0.5 -3,-0.3 -1,-0.2 0.443 109.8 51.4 -92.4 -0.2 25.5 -1.9 15.0 33 253 A R H <> S+ 0 0 51 -3,-0.7 4,-2.5 -4,-0.5 -2,-0.2 0.805 111.9 45.7 -93.6 -48.4 25.3 -5.3 13.4 34 254 A F H X S+ 0 0 18 -4,-2.0 4,-3.4 74,-0.3 5,-0.3 0.929 113.8 50.0 -53.5 -50.4 27.3 -6.8 16.2 35 255 A A H X S+ 0 0 16 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.895 112.2 47.5 -59.7 -41.5 25.1 -4.9 18.7 36 256 A H H > S+ 0 0 3 -4,-0.5 4,-1.2 2,-0.2 -1,-0.2 0.885 116.0 45.5 -62.7 -39.9 22.0 -6.2 16.9 37 257 A F H X S+ 0 0 27 -4,-2.5 4,-1.4 2,-0.2 3,-0.4 0.949 114.1 45.1 -73.0 -49.4 23.4 -9.7 16.9 38 258 A T H X S+ 0 0 15 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.745 112.1 54.7 -65.6 -27.4 24.6 -9.8 20.6 39 259 A E H X S+ 0 0 64 -4,-1.5 4,-1.3 -5,-0.3 -1,-0.2 0.783 102.2 56.1 -75.9 -28.9 21.2 -8.2 21.6 40 260 A L H X S+ 0 0 34 -4,-1.2 4,-1.8 -3,-0.4 -2,-0.2 0.864 107.6 50.4 -63.9 -38.5 19.3 -11.0 19.9 41 261 A A H X S+ 0 0 17 -4,-1.4 4,-3.0 2,-0.2 5,-0.3 0.921 103.5 57.7 -64.8 -46.0 21.3 -13.4 22.1 42 262 A I H X S+ 0 0 33 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.867 107.7 49.2 -51.7 -36.7 20.4 -11.4 25.2 43 263 A V H X S+ 0 0 51 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.912 110.1 49.9 -70.4 -42.2 16.7 -12.1 24.2 44 264 A S H X S+ 0 0 19 -4,-1.8 4,-2.9 1,-0.2 3,-0.5 0.950 108.3 52.3 -60.8 -47.6 17.4 -15.8 23.8 45 265 A V H X S+ 0 0 4 -4,-3.0 4,-1.7 1,-0.3 -1,-0.2 0.814 109.5 49.7 -61.4 -32.6 19.1 -16.1 27.2 46 266 A Q H X S+ 0 0 80 -4,-1.3 4,-1.2 -5,-0.3 -1,-0.3 0.797 112.5 48.8 -68.6 -31.5 16.1 -14.4 28.8 47 267 A E H X S+ 0 0 102 -4,-1.4 4,-2.4 -3,-0.5 -2,-0.2 0.916 110.4 49.4 -73.3 -44.4 13.9 -16.9 26.9 48 268 A I H X S+ 0 0 8 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.940 108.5 53.0 -60.7 -51.0 16.0 -19.9 28.0 49 269 A V H X S+ 0 0 1 -4,-1.7 4,-1.3 -5,-0.2 -1,-0.2 0.867 112.1 46.3 -51.7 -40.2 15.9 -18.9 31.6 50 270 A D H < S+ 0 0 78 -4,-1.2 4,-0.4 2,-0.2 -2,-0.2 0.879 114.0 46.2 -73.1 -42.1 12.0 -18.6 31.5 51 271 A F H >< S+ 0 0 16 -4,-2.4 3,-1.9 1,-0.2 4,-0.4 0.953 110.1 54.7 -61.9 -49.4 11.5 -21.9 29.8 52 272 A A H >< S+ 0 0 0 -4,-3.1 3,-1.3 1,-0.3 6,-0.2 0.823 100.4 60.1 -53.4 -37.6 14.0 -23.6 32.2 53 273 A K T 3< S+ 0 0 41 -4,-1.3 -1,-0.3 1,-0.3 6,-0.3 0.645 104.6 50.7 -68.1 -16.9 11.9 -22.4 35.2 54 274 A Q T < S+ 0 0 105 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.390 83.6 106.3-102.4 -0.0 8.9 -24.3 33.9 55 275 A L S X S- 0 0 4 -3,-1.3 3,-2.4 -4,-0.4 4,-0.4 -0.700 84.5-105.4 -81.0 119.9 10.7 -27.6 33.4 56 276 A P T 3 S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.172 103.9 15.3 -42.6 131.2 9.7 -30.1 36.1 57 277 A G T 3 S+ 0 0 11 -4,-0.1 4,-0.4 -3,-0.0 104,-0.1 0.145 97.9 102.0 94.0 -18.4 12.5 -30.5 38.6 58 278 A F S X S+ 0 0 0 -3,-2.4 3,-1.7 1,-0.2 -5,-0.1 0.958 82.0 42.3 -70.7 -53.3 14.5 -27.4 37.6 59 279 A L T 3 S+ 0 0 72 -4,-0.4 -1,-0.2 1,-0.3 7,-0.1 0.664 104.9 66.5 -72.9 -17.0 13.6 -24.9 40.3 60 280 A Q T 3 S+ 0 0 154 2,-0.1 -1,-0.3 3,-0.0 -2,-0.2 0.604 86.2 90.5 -71.7 -13.9 13.9 -27.7 42.9 61 281 A L S < S- 0 0 9 -3,-1.7 5,-0.1 -4,-0.4 -4,-0.0 -0.464 100.3 -85.5 -75.3 156.4 17.7 -27.7 42.1 62 282 A S > - 0 0 49 1,-0.2 4,-2.3 -2,-0.1 3,-0.5 -0.335 37.1-120.2 -56.4 143.3 19.9 -25.4 44.2 63 283 A R H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.824 117.5 58.4 -48.7 -34.2 20.0 -22.0 42.6 64 284 A E H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.910 107.3 45.1 -65.9 -41.3 23.7 -22.5 42.2 65 285 A D H > S+ 0 0 1 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.835 109.8 56.0 -69.9 -36.6 23.1 -25.7 40.1 66 286 A Q H X S+ 0 0 4 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.963 111.5 43.0 -60.1 -50.5 20.4 -23.9 38.1 67 287 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.931 111.3 54.9 -61.5 -44.4 23.0 -21.2 37.2 68 288 A A H X S+ 0 0 2 -4,-2.4 4,-1.2 1,-0.2 5,-0.2 0.934 114.1 43.0 -50.9 -45.1 25.6 -24.0 36.6 69 289 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.936 116.7 43.0 -73.7 -46.3 23.2 -25.6 34.1 70 290 A L H X S+ 0 0 2 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.871 108.0 60.3 -71.0 -35.2 21.9 -22.5 32.3 71 291 A K H < S+ 0 0 41 -4,-2.7 4,-0.4 -5,-0.3 -1,-0.2 0.912 116.4 29.3 -57.7 -47.3 25.4 -20.8 32.0 72 292 A T H X S+ 0 0 35 -4,-1.2 4,-0.6 -5,-0.3 3,-0.2 0.817 120.5 51.7 -87.0 -31.6 27.0 -23.7 29.9 73 293 A S H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 5,-0.2 0.581 87.3 83.9 -82.5 -11.3 23.9 -25.0 28.1 74 294 A A H X S+ 0 0 1 -4,-1.2 4,-3.0 2,-0.2 3,-0.4 0.973 89.9 48.0 -62.2 -53.7 22.7 -21.6 26.8 75 295 A I H > S+ 0 0 12 -4,-0.4 4,-2.5 1,-0.3 -1,-0.2 0.936 112.6 50.9 -51.9 -44.6 24.9 -21.6 23.7 76 296 A E H X S+ 0 0 2 -4,-0.6 4,-1.6 1,-0.2 -1,-0.3 0.879 113.3 44.7 -61.0 -37.5 23.8 -25.2 23.0 77 297 A V H X S+ 0 0 2 -4,-2.2 4,-2.4 -3,-0.4 -1,-0.2 0.858 109.5 55.0 -76.4 -35.1 20.1 -24.2 23.3 78 298 A M H X S+ 0 0 21 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.915 109.1 50.3 -60.6 -40.6 20.7 -21.1 21.2 79 299 A L H X S+ 0 0 6 -4,-2.5 4,-1.5 -5,-0.3 -2,-0.2 0.839 109.5 49.0 -65.2 -38.5 22.1 -23.4 18.6 80 300 A L H X S+ 0 0 0 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.929 112.8 47.7 -65.6 -42.3 19.1 -25.7 18.7 81 301 A E H >X S+ 0 0 26 -4,-2.4 3,-1.4 1,-0.2 4,-0.8 0.971 108.6 54.9 -64.7 -53.1 16.7 -22.8 18.4 82 302 A T H >< S+ 0 0 22 -4,-2.7 3,-0.7 1,-0.3 -1,-0.2 0.804 105.6 52.3 -37.8 -46.6 18.7 -21.4 15.5 83 303 A S H >< S+ 0 0 3 -4,-1.5 3,-0.9 1,-0.2 -1,-0.3 0.720 101.4 61.0 -73.1 -22.9 18.3 -24.7 13.6 84 304 A R H << S+ 0 0 67 -3,-1.4 -1,-0.2 -4,-1.1 -2,-0.2 0.741 105.5 49.5 -64.5 -26.7 14.5 -24.6 14.1 85 305 A R T << S+ 0 0 78 -4,-0.8 9,-1.8 -3,-0.7 2,-0.3 0.232 82.2 127.1-101.7 8.0 14.6 -21.4 12.2 86 306 A Y E < -A 93 0A 15 -3,-0.9 7,-0.2 7,-0.2 3,-0.1 -0.526 47.7-153.5 -70.3 128.6 16.7 -22.8 9.3 87 307 A N E >> -A 92 0A 50 5,-3.4 4,-1.5 -2,-0.3 5,-1.2 -0.922 4.1-164.5-100.9 107.2 15.2 -22.3 5.8 88 308 A P T 45S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.748 84.8 52.2 -69.0 -23.9 16.6 -25.1 3.6 89 309 A G T 45S+ 0 0 78 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.947 121.8 27.9 -73.9 -55.1 15.5 -23.3 0.4 90 310 A S T 45S- 0 0 83 2,-0.1 -1,-0.2 12,-0.0 3,-0.1 0.576 100.5-130.5 -79.1 -9.7 17.1 -19.9 1.0 91 311 A E T <5 + 0 0 103 -4,-1.5 12,-0.4 1,-0.2 2,-0.3 0.932 66.8 125.3 50.7 49.5 19.8 -21.4 3.3 92 312 A S E < -A 87 0A 5 -5,-1.2 -5,-3.4 10,-0.1 2,-0.5 -0.839 60.7-130.2-130.1 165.6 19.0 -18.7 5.9 93 313 A I E -AB 86 101A 0 8,-2.9 8,-2.7 -2,-0.3 2,-0.8 -0.984 19.7-149.1-119.5 120.9 17.9 -18.4 9.5 94 314 A T E - B 0 100A 35 -9,-1.8 2,-0.3 -2,-0.5 6,-0.2 -0.794 18.0-176.8 -98.4 103.9 14.9 -16.2 10.2 95 315 A F > + 0 0 28 -2,-0.8 3,-0.7 4,-0.6 4,-0.3 -0.734 68.9 5.4 -94.8 148.1 15.1 -14.5 13.7 96 316 A L T 3 S- 0 0 102 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.275 116.1 -86.0 64.7 -7.7 12.3 -12.2 15.1 97 317 A K T 3 S+ 0 0 199 2,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.963 111.2 61.5 70.1 60.2 10.1 -13.2 12.1 98 318 A D S < S+ 0 0 131 1,-0.7 2,-0.2 -3,-0.7 -2,-0.1 -0.121 91.2 37.8-161.5 -84.3 11.1 -10.6 9.4 99 319 A F - 0 0 79 -4,-0.3 -1,-0.7 -5,-0.0 -4,-0.6 -0.530 69.0-146.7 -82.7 150.5 14.7 -10.4 8.0 100 320 A S E -B 94 0A 39 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.3 -0.930 8.8-140.1-120.8 148.1 16.5 -13.7 7.5 101 321 A Y E -B 93 0A 3 -8,-2.7 -8,-2.9 -2,-0.4 2,-0.2 -0.833 15.6-172.0-117.4 141.0 20.3 -14.1 8.0 102 322 A N >> - 0 0 68 -2,-0.3 4,-2.3 -10,-0.2 3,-0.7 -0.753 48.6 -75.2-125.1 174.4 22.8 -16.1 5.9 103 323 A R H 3> S+ 0 0 69 -12,-0.4 4,-0.8 1,-0.2 13,-0.1 0.703 131.0 40.9 -44.7 -29.9 26.5 -17.1 6.2 104 324 A E H 3> S+ 0 0 117 2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.799 108.2 57.8 -95.3 -30.4 27.7 -13.5 5.3 105 325 A D H <> S+ 0 0 10 -3,-0.7 4,-1.5 2,-0.2 -2,-0.2 0.917 108.5 50.5 -54.6 -45.0 25.1 -11.6 7.3 106 326 A F H <>S+ 0 0 6 -4,-2.3 5,-1.8 1,-0.2 -2,-0.2 0.908 111.7 47.0 -54.6 -45.3 26.5 -13.6 10.3 107 327 A A H ><5S+ 0 0 27 -4,-0.8 3,-0.9 -5,-0.3 -2,-0.2 0.782 108.8 52.0 -76.8 -29.9 30.1 -12.6 9.3 108 328 A K H 3<5S+ 0 0 86 -4,-2.4 -74,-0.3 1,-0.2 -1,-0.2 0.774 104.5 60.7 -68.3 -29.1 29.2 -8.8 8.8 109 329 A A T 3<5S- 0 0 0 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.344 131.0 -96.4 -79.9 2.6 27.7 -9.2 12.3 110 330 A G T < 5S+ 0 0 17 -3,-0.9 2,-0.2 1,-0.3 -3,-0.2 0.331 77.1 137.4 107.6 -3.9 31.2 -10.1 13.6 111 331 A L < 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371 A N T 3 S+ 0 0 115 1,-0.2 2,-0.3 -3,-0.1 -83,-0.2 0.537 79.6 149.2 70.1 13.6 30.3 -26.9 38.9 152 372 A V < - 0 0 16 -3,-1.5 3,-0.2 1,-0.2 -1,-0.2 -0.601 23.6-172.5 -71.1 138.2 27.1 -29.0 39.1 153 373 A Q S S+ 0 0 149 -2,-0.3 2,-1.8 1,-0.2 3,-0.2 0.871 74.7 46.6-100.9 -59.4 26.8 -30.2 42.7 154 374 A D > + 0 0 74 1,-0.2 4,-1.7 2,-0.1 -1,-0.2 -0.570 66.9 160.6 -85.7 73.6 23.9 -32.7 42.8 155 375 A Q H > + 0 0 57 -2,-1.8 4,-1.9 -3,-0.2 -1,-0.2 0.829 68.3 59.6 -63.3 -33.3 25.1 -34.6 39.7 156 376 A L H > S+ 0 0 92 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 109.0 41.5 -64.9 -44.0 23.0 -37.6 40.6 157 377 A Q H > S+ 0 0 65 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.778 112.3 53.5 -76.4 -30.7 19.7 -35.7 40.6 158 378 A V H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.888 112.4 46.9 -66.6 -37.0 20.5 -33.7 37.4 159 379 A E H X S+ 0 0 33 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.872 111.4 50.6 -72.1 -39.6 21.3 -37.1 35.8 160 380 A R H X S+ 0 0 146 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.872 110.4 49.5 -60.8 -40.0 18.0 -38.5 37.1 161 381 A L H X S+ 0 0 17 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.878 107.1 55.7 -67.0 -39.8 16.0 -35.6 35.8 162 382 A Q H X S+ 0 0 14 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.862 103.2 55.7 -61.7 -38.7 17.7 -36.0 32.4 163 383 A H H X S+ 0 0 24 -4,-1.5 4,-3.0 1,-0.2 5,-0.3 0.927 100.0 57.6 -60.7 -45.0 16.5 -39.6 32.2 164 384 A T H X S+ 0 0 63 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.894 112.8 41.9 -56.0 -36.6 12.9 -38.7 32.7 165 385 A Y H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.914 112.2 52.6 -75.2 -41.1 13.2 -36.4 29.6 166 386 A V H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.899 112.7 46.2 -60.2 -42.2 15.3 -39.0 27.6 167 387 A E H X S+ 0 0 79 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.859 109.5 54.7 -64.4 -41.8 12.6 -41.6 28.3 168 388 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.891 110.2 46.7 -55.1 -44.9 9.8 -39.0 27.4 169 389 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.836 110.0 53.6 -67.8 -40.9 11.5 -38.5 24.0 170 390 A H H X S+ 0 0 25 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.962 112.2 43.2 -56.1 -54.8 11.9 -42.2 23.5 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17.6 191 411 A L H <> S+ 0 0 6 -3,-2.8 4,-0.9 -4,-0.3 -1,-0.3 0.806 95.4 58.3 -70.3 -31.9 23.7 -33.7 21.2 192 412 A V H XX S+ 0 0 4 -3,-1.6 3,-0.8 -4,-0.6 4,-0.6 0.934 106.0 47.4 -57.1 -51.8 27.2 -35.0 20.6 193 413 A S H >X S+ 0 0 18 -4,-1.1 4,-2.0 1,-0.2 3,-1.4 0.892 102.8 64.1 -56.4 -47.4 27.8 -32.5 17.8 194 414 A L H 3X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.3 -1,-0.2 0.761 96.7 57.1 -47.7 -34.0 26.4 -29.6 20.0 195 415 A R H S+ 0 0 8 -4,-2.3 5,-3.7 1,-0.2 -1,-0.2 0.788 107.5 52.1 -58.6 -29.8 36.4 -11.4 20.3 209 429 A R H ><5S+ 0 0 124 -4,-1.1 3,-1.9 3,-0.2 -1,-0.2 0.954 108.5 49.6 -67.4 -52.0 38.7 -10.9 23.3 210 430 A L H 3<5S+ 0 0 129 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.936 113.5 43.5 -54.9 -53.7 41.8 -10.8 21.1 211 431 A Q T 3<5S- 0 0 101 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.1 0.137 118.0-120.7 -73.6 23.4 40.3 -8.2 18.6 212 432 A D T < 5 + 0 0 107 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.731 54.1 162.3 30.6 46.3 39.1 -6.5 21.9 213 433 A K < - 0 0 41 -5,-3.7 2,-0.6 -6,-0.2 -1,-0.2 -0.673 32.5-133.4 -84.7 141.9 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244 221 B Q H < 0 0 55 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.806 360.0 360.0 -80.7 -31.6 39.7 -56.4 20.8 245 222 B Q < 0 0 166 -4,-1.5 -3,-0.0 0, 0.0 -4,-0.0 -0.193 360.0 360.0 -51.9 360.0 40.9 -59.5 22.9 246 ! 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 0.0 247 233 B L 0 0 175 0, 0.0 2,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.8 56.5 -54.9 25.0 248 234 B R + 0 0 247 2,-0.0 2,-0.4 3,-0.0 0, 0.0 -0.742 360.0 146.4 -96.5 88.0 59.2 -52.1 24.9 249 235 B V - 0 0 26 -2,-1.0 16,-0.1 3,-0.0 3,-0.1 -0.991 58.5-107.0-121.4 130.5 57.9 -49.1 26.9 250 236 B T - 0 0 55 -2,-0.4 18,-0.1 14,-0.3 -2,-0.0 -0.361 52.3-119.6 -53.8 121.0 60.2 -46.9 28.9 251 237 B P - 0 0 83 0, 0.0 14,-0.1 0, 0.0 -1,-0.1 -0.061 20.9 -96.2 -71.8 169.0 59.3 -48.0 32.5 252 238 B W 0 0 38 1,-0.2 10,-0.1 13,-0.1 6,-0.0 -0.707 360.0 360.0 -81.8 128.1 57.9 -46.0 35.3 253 239 B P 0 0 78 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.955 360.0 360.0 -75.2 360.0 60.6 -44.7 37.7 254 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 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681 C S > 0 0 75 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 162.9 29.9 -18.9 44.4 458 682 C L H > + 0 0 23 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.850 360.0 62.2 -63.2 -35.8 28.6 -19.1 40.8 459 683 C T H >4 S+ 0 0 27 1,-0.2 3,-0.7 2,-0.2 7,-0.2 0.880 102.2 45.5 -60.9 -43.6 25.7 -17.1 42.1 460 684 C E H 34 S+ 0 0 113 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.737 113.7 50.9 -75.3 -19.6 27.7 -14.0 43.1 461 685 C R H 3< S+ 0 0 163 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.476 110.4 52.4 -90.2 -3.8 29.6 -14.1 39.8 462 686 C H S+ 0 0 151 -3,-0.3 4,-2.0 2,-0.2 5,-0.1 0.829 72.0 47.5 -77.0 -37.9 24.1 -11.4 39.0 464 688 C I H > S+ 0 0 37 2,-0.2 4,-1.9 1,-0.1 -1,-0.2 0.946 116.4 44.4 -67.3 -49.2 22.1 -10.7 35.9 465 689 C L H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.918 113.0 52.8 -61.8 -42.4 21.3 -14.4 35.3 466 690 C H H X S+ 0 0 45 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.964 107.9 48.9 -57.3 -55.1 20.5 -14.8 39.0 467 691 C R H X S+ 0 0 128 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.849 110.7 52.6 -51.7 -41.6 18.0 -11.9 39.1 468 692 C L H < S+ 0 0 13 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.887 109.4 47.8 -60.6 -43.2 16.3 -13.4 36.0 469 693 C L H < S+ 0 0 4 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.860 114.7 49.3 -66.0 -32.5 16.0 -16.7 37.8 470 694 C Q H < 0 0 121 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.898 360.0 360.0 -70.5 -47.7 14.6 -14.8 40.8 471 695 C E < 0 0 157 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.925 360.0 360.0 -64.2 360.0 12.0 -12.7 39.0 472 !* 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 0.0 473 681 D S > 0 0 77 0, 0.0 4,-0.6 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 165.2 44.9 -34.2 1.9 474 682 D L H >> + 0 0 4 2,-0.2 4,-1.4 1,-0.1 3,-0.7 0.829 360.0 66.7 -71.4 -34.0 45.2 -35.5 5.5 475 683 D T H >4 S+ 0 0 28 1,-0.3 3,-1.1 2,-0.2 7,-0.2 0.941 97.9 50.4 -54.0 -50.7 47.0 -38.5 4.0 476 684 D E H 34 S+ 0 0 138 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.807 116.0 44.1 -57.5 -29.0 49.9 -36.4 2.9 477 685 D R H << S+ 0 0 121 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.593 110.2 56.0 -90.9 -14.0 50.1 -34.9 6.4 478 686 D H S+ 0 0 146 -3,-0.3 4,-2.8 1,-0.2 5,-0.2 0.889 72.9 47.8 -60.2 -44.7 52.4 -40.5 7.1 480 688 D I H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.944 116.0 43.8 -66.5 -46.6 52.8 -42.7 10.2 481 689 D L H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.930 113.1 52.6 -63.1 -44.6 49.1 -43.3 10.6 482 690 D H H X S+ 0 0 44 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.925 109.9 48.6 -55.3 -47.2 48.8 -43.9 6.8 483 691 D R H X S+ 0 0 137 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.850 109.1 52.5 -62.6 -38.2 51.6 -46.5 7.1 484 692 D L H < S+ 0 0 15 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.896 111.9 47.3 -62.8 -39.6 49.9 -48.2 10.1 485 693 D L H < S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.915 115.0 46.1 -67.0 -44.2 46.8 -48.4 7.9 486 694 D Q H < 0 0 113 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.943 360.0 360.0 -57.8 -51.7 48.8 -49.8 4.9 487 695 D E < 0 0 156 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.674 360.0 360.0 -66.3 360.0 50.8 -52.4 6.8