==== 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 TRANSCRIPTION 18-DEC-08 3FLI . COMPND 2 MOLECULE: BILE ACID RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.G.FOSTER,T.J.STOUT . 221 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11747.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 76.0 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 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 0 1 1 0 1 0 1 0 1 0 0 0 0 0 1 0 2 1 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 1 248 A E 0 0 185 0, 0.0 2,-0.3 0, 0.0 174,-0.1 0.000 360.0 360.0 360.0 -37.1 23.8 -26.1 1.1 2 249 A L - 0 0 24 172,-0.1 169,-0.0 4,-0.1 5,-0.0 -0.559 360.0-129.2 -61.9 126.9 22.5 -24.0 -1.9 3 250 A T > - 0 0 60 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.247 28.6-100.9 -61.0 161.8 18.9 -24.9 -2.6 4 251 A P H > S+ 0 0 91 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.908 126.3 52.0 -53.3 -41.7 18.1 -25.8 -6.3 5 252 A D H > S+ 0 0 134 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.913 111.8 46.5 -59.4 -45.3 16.6 -22.3 -6.7 6 253 A Q H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.860 107.9 56.3 -65.2 -40.0 19.9 -20.7 -5.3 7 254 A Q H X S+ 0 0 110 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.900 110.6 45.0 -57.9 -43.9 22.1 -23.0 -7.5 8 255 A T H X S+ 0 0 78 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.921 110.3 52.9 -70.8 -40.1 20.3 -21.7 -10.7 9 256 A L H X S+ 0 0 34 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.951 112.5 46.5 -54.2 -52.0 20.4 -18.0 -9.6 10 257 A L H X S+ 0 0 18 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.901 110.8 52.3 -55.8 -47.4 24.2 -18.5 -9.0 11 258 A H H X S+ 0 0 120 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.935 109.7 47.5 -58.5 -49.6 24.6 -20.2 -12.4 12 259 A F H X S+ 0 0 128 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.891 113.9 49.6 -56.5 -44.6 22.8 -17.4 -14.3 13 260 A I H X S+ 0 0 1 -4,-2.1 4,-3.4 -5,-0.2 -2,-0.2 0.949 111.7 46.6 -61.7 -47.9 25.0 -14.8 -12.4 14 261 A M H X S+ 0 0 17 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.841 107.7 57.5 -65.7 -34.7 28.3 -16.7 -13.2 15 262 A D H < S+ 0 0 79 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.917 115.2 37.3 -55.1 -43.8 27.3 -17.0 -16.9 16 263 A S H >< S+ 0 0 15 -4,-1.5 3,-2.1 -5,-0.2 4,-0.2 0.940 113.3 55.3 -82.1 -44.2 27.0 -13.3 -17.1 17 264 A Y H >< S+ 0 0 7 -4,-3.4 3,-1.3 1,-0.3 -2,-0.2 0.852 101.6 62.0 -49.0 -39.5 30.0 -12.5 -14.8 18 265 A N T 3< S+ 0 0 84 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.367 85.5 75.3 -75.6 8.6 32.1 -14.6 -17.1 19 266 A K T < S+ 0 0 156 -3,-2.1 -1,-0.2 35,-0.1 -2,-0.2 0.549 75.0 103.0 -95.6 -6.8 31.5 -12.3 -20.1 20 267 A Q S < S- 0 0 29 -3,-1.3 2,-0.1 -4,-0.2 31,-0.0 -0.277 87.4 -83.9 -73.4 159.0 33.8 -9.6 -18.9 21 268 A R - 0 0 48 1,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.379 54.0-108.0 -55.7 135.9 37.3 -9.0 -20.2 22 269 A M >> - 0 0 95 1,-0.1 4,-1.1 -3,-0.1 3,-0.8 -0.351 27.0-109.0 -70.3 152.6 39.8 -11.2 -18.5 23 270 A P H >> S+ 0 0 19 0, 0.0 4,-2.4 0, 0.0 3,-0.6 0.865 119.5 51.8 -50.5 -43.3 42.2 -9.7 -15.9 24 271 A Q H 3> S+ 0 0 118 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.792 99.9 62.1 -66.1 -31.1 45.2 -10.1 -18.2 25 272 A E H <> S+ 0 0 101 -3,-0.8 4,-0.5 2,-0.2 -1,-0.2 0.854 114.9 35.4 -56.0 -35.0 43.3 -8.3 -21.1 26 273 A I H - 0 0 40 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.991 37.3-130.4-134.2 149.9 53.2 6.9 -21.5 37 284 A A H > S+ 0 0 12 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.821 109.6 55.0 -56.6 -32.2 51.0 8.6 -18.9 38 285 A E H > S+ 0 0 138 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.918 111.0 38.7 -74.8 -51.1 49.0 10.1 -21.8 39 286 A E H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.824 113.4 59.1 -68.2 -29.9 48.1 6.9 -23.6 40 287 A N H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.878 104.1 50.3 -68.5 -37.6 47.5 5.2 -20.3 41 288 A F H X S+ 0 0 67 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.904 112.9 45.5 -62.5 -43.4 44.8 7.7 -19.3 42 289 A L H X S+ 0 0 126 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.860 111.9 54.2 -63.2 -37.5 43.1 7.2 -22.7 43 290 A I H X S+ 0 0 24 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.903 108.8 46.9 -63.8 -43.6 43.6 3.5 -22.1 44 291 A L H X S+ 0 0 52 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.812 109.0 54.7 -64.2 -39.0 41.8 3.7 -18.7 45 292 A T H X S+ 0 0 22 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.898 109.5 47.7 -61.7 -41.0 39.0 5.8 -20.2 46 293 A E H X S+ 0 0 79 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.937 112.1 48.9 -65.9 -47.5 38.4 3.0 -22.7 47 294 A M H X S+ 0 0 17 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.844 110.1 51.8 -59.8 -36.9 38.5 0.3 -20.0 48 295 A A H X S+ 0 0 9 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.896 109.8 49.9 -67.0 -41.0 36.0 2.3 -17.9 49 296 A T H X S+ 0 0 24 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.917 112.0 46.4 -62.4 -47.2 33.6 2.6 -20.9 50 297 A N H X S+ 0 0 30 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.890 110.3 55.2 -61.3 -41.6 33.8 -1.2 -21.6 51 298 A H H X S+ 0 0 26 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.947 111.6 43.3 -58.3 -46.0 33.3 -1.8 -17.8 52 299 A V H X S+ 0 0 3 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.938 112.3 52.4 -65.1 -46.5 30.1 0.2 -17.9 53 300 A Q H X S+ 0 0 116 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.913 113.0 45.1 -50.7 -49.0 29.0 -1.4 -21.2 54 301 A V H X S+ 0 0 31 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.855 112.3 52.1 -68.9 -36.5 29.5 -4.9 -19.7 55 302 A L H X S+ 0 0 9 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.910 106.4 53.2 -62.8 -45.6 27.7 -3.8 -16.4 56 303 A V H X S+ 0 0 45 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.955 112.1 45.4 -52.0 -52.6 24.7 -2.5 -18.4 57 304 A E H X S+ 0 0 75 -4,-1.9 4,-1.4 1,-0.2 3,-0.5 0.907 107.2 58.6 -59.8 -41.6 24.5 -5.9 -20.1 58 305 A F H X S+ 0 0 12 -4,-2.5 4,-1.6 1,-0.2 3,-0.2 0.907 104.3 52.6 -55.9 -39.7 25.0 -7.7 -16.7 59 306 A T H < S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.828 102.4 57.2 -68.0 -30.5 21.8 -5.9 -15.4 60 307 A K H < S+ 0 0 87 -4,-1.3 6,-0.3 -3,-0.5 -1,-0.2 0.895 117.7 34.8 -60.0 -38.2 19.7 -7.0 -18.4 61 308 A K H < S+ 0 0 113 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.583 86.2 111.7 -96.8 -15.7 20.5 -10.7 -17.4 62 309 A L S >< S- 0 0 4 -4,-1.6 3,-2.3 -5,-0.2 4,-0.5 -0.489 85.0-102.5 -63.9 117.7 20.6 -10.3 -13.6 63 310 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.151 99.3 3.0 -54.7 132.3 17.6 -12.4 -12.5 64 311 A G T > S+ 0 0 27 -3,-0.1 3,-1.8 1,-0.0 4,-0.4 0.164 97.5 110.1 83.3 -19.1 14.6 -10.1 -11.6 65 312 A F G X S+ 0 0 1 -3,-2.3 3,-1.3 1,-0.3 -5,-0.1 0.904 76.6 50.9 -61.8 -37.8 16.4 -6.9 -12.5 66 313 A Q G 3 S+ 0 0 117 -4,-0.5 -1,-0.3 -6,-0.3 4,-0.1 0.451 95.4 71.4 -84.2 5.4 14.2 -6.2 -15.5 67 314 A T G < S+ 0 0 117 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.547 84.6 95.9 -82.6 -14.0 11.0 -6.7 -13.4 68 315 A L S < S- 0 0 11 -3,-1.3 5,-0.0 -4,-0.4 -4,-0.0 -0.435 96.4 -81.3 -72.5 155.0 11.8 -3.4 -11.7 69 316 A D > - 0 0 72 1,-0.1 4,-2.5 -2,-0.1 -1,-0.1 -0.265 43.8-125.3 -48.2 132.6 10.4 -0.0 -12.7 70 317 A H H > S+ 0 0 147 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.891 108.8 50.4 -62.4 -44.5 12.4 1.2 -15.6 71 318 A E H > S+ 0 0 135 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.896 111.1 49.9 -58.4 -44.6 13.4 4.5 -14.1 72 319 A D H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.899 106.4 56.9 -61.1 -40.2 14.5 2.6 -10.9 73 320 A Q H X S+ 0 0 20 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.956 109.0 45.1 -54.8 -47.7 16.6 0.3 -13.1 74 321 A I H X S+ 0 0 86 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.898 112.0 52.1 -66.6 -37.2 18.5 3.2 -14.6 75 322 A A H X S+ 0 0 16 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.818 109.2 49.8 -67.5 -34.4 19.0 4.8 -11.1 76 323 A L H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.929 111.4 49.5 -71.3 -42.6 20.4 1.5 -9.7 77 324 A L H >X S+ 0 0 8 -4,-2.3 4,-1.5 -5,-0.2 3,-0.7 0.972 115.4 42.3 -58.7 -52.7 22.8 1.3 -12.7 78 325 A K H 3< S+ 0 0 68 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.882 114.2 52.3 -63.6 -36.6 24.0 4.9 -12.3 79 326 A G H 3< S+ 0 0 24 -4,-2.2 -1,-0.2 -5,-0.2 4,-0.2 0.713 118.8 35.9 -71.6 -20.0 24.2 4.5 -8.4 80 327 A S H S+ 0 0 15 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.894 115.1 48.8 -70.1 -43.0 31.6 3.4 -9.9 83 330 A E H > S+ 0 0 1 -4,-0.2 4,-2.2 1,-0.2 5,-0.2 0.932 111.0 51.5 -60.7 -47.0 31.4 1.0 -7.0 84 331 A A H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.894 108.1 52.8 -52.5 -43.7 31.2 -1.9 -9.4 85 332 A M H X S+ 0 0 30 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.931 110.2 46.3 -64.0 -43.6 34.3 -0.6 -11.3 86 333 A F H X S+ 0 0 12 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.864 111.5 51.7 -68.7 -35.7 36.5 -0.4 -8.1 87 334 A L H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.886 111.3 47.1 -64.8 -42.3 35.4 -3.9 -6.9 88 335 A R H X S+ 0 0 15 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.889 108.9 55.0 -68.2 -35.5 36.4 -5.3 -10.3 89 336 A S H X S+ 0 0 38 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.910 106.8 51.3 -62.2 -39.9 39.7 -3.4 -10.1 90 337 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.940 111.2 47.5 -59.1 -49.9 40.3 -5.1 -6.7 91 338 A E H < S+ 0 0 7 -4,-2.0 4,-0.3 2,-0.2 -2,-0.2 0.939 115.5 45.0 -56.7 -49.4 39.6 -8.5 -8.2 92 339 A I H >< S+ 0 0 18 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.949 110.1 54.9 -59.6 -47.5 41.9 -7.8 -11.3 93 340 A F H 3< S+ 0 0 19 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.789 103.2 55.2 -61.4 -34.0 44.7 -6.3 -9.2 94 341 A N T 3< S+ 0 0 68 -4,-1.7 -1,-0.3 -3,-0.2 2,-0.2 0.446 82.1 107.3 -83.1 -2.9 45.0 -9.4 -6.9 95 342 A K S < S- 0 0 102 -3,-1.9 -3,-0.0 -4,-0.3 -4,-0.0 -0.555 84.1 -94.9 -73.8 138.7 45.5 -11.8 -9.8 96 343 A K - 0 0 178 -2,-0.2 -1,-0.1 1,-0.0 -2,-0.1 -0.239 45.8-176.3 -56.6 142.0 49.2 -13.1 -10.2 97 344 A L - 0 0 19 1,-0.1 5,-0.1 -3,-0.1 3,-0.1 -0.869 33.3 -82.6-132.9 159.3 51.4 -11.2 -12.5 98 345 A P S > S- 0 0 77 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.155 72.0 -57.2 -61.7 167.2 55.0 -11.8 -13.6 99 346 A S T 3 S+ 0 0 116 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.137 124.6 4.2 -48.6 129.8 58.0 -10.7 -11.5 100 347 A G T 3> S+ 0 0 53 -3,-0.1 4,-2.2 1,-0.1 -1,-0.3 0.233 102.3 109.2 80.7 -12.2 58.0 -6.9 -10.8 101 348 A H H <> + 0 0 58 -3,-2.2 4,-2.4 2,-0.2 -2,-0.1 0.765 69.0 51.0 -80.2 -27.7 54.7 -6.4 -12.5 102 349 A S H > S+ 0 0 40 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.888 115.0 46.6 -73.2 -35.9 52.2 -5.7 -9.7 103 350 A D H > S+ 0 0 126 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.907 114.4 48.2 -61.1 -46.4 54.6 -3.1 -8.4 104 351 A L H X S+ 0 0 56 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.882 108.6 54.0 -64.1 -38.6 54.9 -1.8 -12.0 105 352 A L H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.950 110.6 45.8 -57.9 -51.8 51.1 -1.8 -12.4 106 353 A E H X S+ 0 0 23 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.921 111.6 52.2 -59.6 -45.5 50.6 0.4 -9.3 107 354 A E H X S+ 0 0 126 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.867 110.5 47.4 -62.2 -39.2 53.4 2.8 -10.4 108 355 A R H >< S+ 0 0 32 -4,-2.2 3,-0.9 2,-0.2 -1,-0.2 0.929 111.3 49.0 -70.2 -42.6 52.0 3.3 -13.9 109 356 A I H >< S+ 0 0 28 -4,-2.3 3,-0.6 1,-0.3 5,-0.3 0.885 109.1 55.7 -61.1 -37.7 48.5 3.9 -12.6 110 357 A R H 3< S+ 0 0 69 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.646 110.0 46.6 -64.3 -23.3 50.1 6.4 -10.1 111 358 A N T << S+ 0 0 92 -3,-0.9 -1,-0.3 -4,-0.7 -71,-0.1 -0.575 81.7 102.1-118.6 66.3 51.6 8.3 -13.1 112 359 A S S < S- 0 0 0 -3,-0.6 -1,-0.1 2,-0.3 3,-0.1 0.040 106.4 -80.5-133.0 19.1 48.6 8.5 -15.3 113 360 A G S S+ 0 0 74 1,-0.3 2,-0.4 -3,-0.2 -2,-0.1 0.511 99.2 109.4 92.8 5.8 47.5 12.1 -14.7 114 361 A I - 0 0 23 -5,-0.3 -2,-0.3 96,-0.1 -1,-0.3 -0.956 68.2-112.3-123.5 140.6 45.7 11.6 -11.4 115 362 A S >> - 0 0 60 -2,-0.4 3,-1.7 1,-0.1 4,-1.6 -0.165 19.8-115.1 -80.2 157.6 47.0 12.8 -8.1 116 363 A D H 3> S+ 0 0 101 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.698 105.8 79.0 -59.0 -23.2 48.2 10.7 -5.1 117 364 A E H 34 S+ 0 0 122 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.808 108.6 25.8 -54.4 -33.6 45.3 12.0 -3.0 118 365 A Y H <> S+ 0 0 25 -3,-1.7 4,-1.4 2,-0.1 -2,-0.2 0.850 117.6 57.9 -98.5 -45.7 43.0 9.4 -4.8 119 366 A I H X S+ 0 0 4 -4,-1.6 4,-2.3 1,-0.2 5,-0.2 0.872 99.4 56.9 -61.3 -42.3 45.4 6.7 -5.9 120 367 A T H X S+ 0 0 49 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.930 107.2 47.0 -60.4 -53.0 46.8 5.8 -2.4 121 368 A P H > S+ 0 0 48 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.884 111.2 54.5 -46.8 -42.0 43.4 5.0 -0.8 122 369 A M H X S+ 0 0 20 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.959 108.6 44.6 -70.8 -45.7 42.5 2.9 -3.8 123 370 A F H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.859 111.0 55.3 -66.1 -30.7 45.6 0.6 -3.7 124 371 A S H X S+ 0 0 68 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.910 109.2 48.4 -64.7 -39.6 45.2 0.2 0.1 125 372 A F H X S+ 0 0 6 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.954 109.9 51.3 -59.8 -52.5 41.6 -1.0 -0.5 126 373 A Y H X S+ 0 0 12 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.912 114.3 42.7 -55.2 -47.4 42.7 -3.5 -3.3 127 374 A K H X S+ 0 0 90 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.919 115.3 49.1 -66.5 -44.2 45.4 -5.1 -1.1 128 375 A S H >X S+ 0 0 43 -4,-2.3 3,-0.7 -5,-0.2 4,-0.5 0.964 114.2 42.9 -58.0 -55.5 43.2 -5.2 2.1 129 376 A I H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.2 5,-0.4 0.896 108.5 63.6 -64.1 -33.5 40.2 -6.8 0.4 130 377 A G H >< S+ 0 0 7 -4,-1.9 3,-1.9 -5,-0.4 -1,-0.2 0.872 92.5 62.3 -54.5 -36.9 42.7 -9.1 -1.4 131 378 A E H << S+ 0 0 151 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.698 89.4 69.7 -66.8 -14.7 43.7 -10.5 1.9 132 379 A L T << S- 0 0 28 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.689 96.8-141.6 -75.1 -17.1 40.1 -11.8 2.3 133 380 A K < - 0 0 158 -3,-1.9 2,-0.1 -4,-0.3 -3,-0.1 0.903 26.6-171.1 58.9 47.9 40.9 -14.3 -0.5 134 381 A M - 0 0 19 -5,-0.4 -1,-0.2 -4,-0.1 2,-0.1 -0.434 16.1-128.2 -67.5 140.4 37.4 -14.0 -2.1 135 382 A T > - 0 0 45 -2,-0.1 4,-2.2 1,-0.1 3,-0.2 -0.391 27.9-103.2 -78.6 167.2 36.5 -16.5 -4.8 136 383 A Q H > S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.870 123.9 56.7 -58.6 -39.6 35.1 -15.4 -8.2 137 384 A E H > S+ 0 0 62 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.863 106.6 49.0 -60.1 -38.1 31.6 -16.4 -7.0 138 385 A E H > S+ 0 0 0 2,-0.2 4,-2.4 -3,-0.2 5,-0.2 0.915 110.6 49.6 -71.2 -44.1 31.9 -14.1 -4.0 139 386 A Y H X S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.923 112.1 49.3 -56.5 -47.8 33.0 -11.2 -6.2 140 387 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.939 114.2 43.6 -57.4 -50.5 30.1 -11.8 -8.6 141 388 A L H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.893 112.2 51.8 -62.9 -40.0 27.5 -12.0 -5.8 142 389 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.884 109.0 53.1 -68.7 -36.8 28.9 -9.0 -4.0 143 390 A T H X S+ 0 0 11 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.924 108.3 48.5 -56.7 -48.9 28.7 -7.1 -7.3 144 391 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.859 110.8 51.9 -56.7 -37.9 25.0 -8.1 -7.7 145 392 A I H < S+ 0 0 0 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.896 107.0 52.1 -70.5 -41.9 24.3 -6.9 -4.1 146 393 A V H >< S+ 0 0 2 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.932 112.3 46.6 -56.2 -46.3 26.0 -3.6 -4.8 147 394 A I H 3< S+ 0 0 0 -4,-2.1 2,-1.3 1,-0.3 -2,-0.2 0.944 109.5 53.2 -66.7 -47.9 23.7 -3.1 -7.9 148 395 A L T 3< S+ 0 0 1 -4,-2.7 -1,-0.3 -5,-0.1 17,-0.1 -0.283 75.2 147.7 -84.9 54.8 20.5 -4.1 -6.1 149 396 A S X - 0 0 3 -2,-1.3 3,-1.5 -3,-0.7 13,-0.1 -0.784 37.4-157.2 -94.4 111.8 21.0 -1.6 -3.2 150 397 A P T 3 S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.652 84.2 62.8 -66.9 -15.9 17.5 -0.4 -2.0 151 398 A D T 3 + 0 0 93 10,-0.1 3,-0.1 3,-0.0 7,-0.0 0.218 70.0 130.0 -98.3 13.8 18.9 2.8 -0.6 152 399 A R X - 0 0 16 -3,-1.5 3,-1.4 1,-0.1 -76,-0.1 -0.345 69.4 -92.1 -63.5 149.3 20.2 4.5 -3.7 153 400 A Q T 3 S+ 0 0 133 1,-0.2 -1,-0.1 -78,-0.1 -74,-0.1 -0.297 106.8 18.4 -58.7 139.1 19.1 8.0 -4.4 154 401 A Y T 3 S+ 0 0 173 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.367 79.4 146.4 81.3 0.6 16.0 8.5 -6.5 155 402 A I < - 0 0 10 -3,-1.4 -1,-0.3 1,-0.2 3,-0.2 -0.512 29.0-168.8 -68.8 133.8 14.6 4.9 -6.1 156 403 A K S S+ 0 0 114 1,-0.2 2,-0.6 -2,-0.2 -1,-0.2 0.830 79.9 36.7 -92.7 -37.9 10.8 5.1 -6.1 157 404 A D > + 0 0 82 1,-0.2 4,-1.0 -88,-0.1 -1,-0.2 -0.792 62.9 166.8-120.7 87.8 10.1 1.6 -5.0 158 405 A R H > S+ 0 0 101 -2,-0.6 4,-2.4 -3,-0.2 3,-0.3 0.869 75.4 59.8 -70.2 -38.6 12.7 0.6 -2.4 159 406 A E H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.844 100.4 56.5 -57.2 -36.2 10.8 -2.5 -1.2 160 407 A A H > S+ 0 0 29 -3,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.870 108.8 45.7 -64.5 -37.3 10.9 -4.0 -4.7 161 408 A V H >X S+ 0 0 0 -4,-1.0 4,-2.3 -3,-0.3 3,-1.4 0.933 109.8 55.6 -70.3 -44.6 14.8 -3.7 -4.8 162 409 A E H 3X S+ 0 0 89 -4,-2.4 4,-2.5 1,-0.3 -2,-0.2 0.846 100.0 59.4 -52.7 -44.0 15.0 -5.2 -1.2 163 410 A K H 3< S+ 0 0 140 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.740 112.6 38.9 -62.0 -24.6 13.0 -8.3 -2.3 164 411 A L H S+ 0 0 53 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.858 110.1 52.6 -56.3 -34.9 18.0 -13.6 -1.8 168 415 A L H X S+ 0 0 5 -4,-0.9 4,-2.5 -3,-0.4 -2,-0.2 0.901 107.9 49.8 -68.9 -43.1 21.4 -12.6 -3.1 169 416 A L H X S+ 0 0 22 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.893 109.0 54.1 -57.9 -43.6 22.7 -11.9 0.5 170 417 A D H X S+ 0 0 78 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.902 109.8 46.4 -56.8 -45.9 21.4 -15.4 1.5 171 418 A V H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.925 111.7 51.7 -60.4 -45.8 23.4 -16.9 -1.4 172 419 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.922 106.6 53.0 -60.9 -43.3 26.5 -14.9 -0.4 173 420 A Q H X S+ 0 0 92 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.918 111.1 47.0 -61.1 -42.5 26.3 -16.0 3.2 174 421 A K H X S+ 0 0 47 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.898 109.7 53.6 -59.3 -46.1 26.1 -19.7 2.1 175 422 A L H X S+ 0 0 3 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.898 106.7 52.3 -57.3 -44.2 29.1 -19.2 -0.3 176 423 A C H X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.906 112.4 45.2 -57.2 -44.9 31.2 -17.8 2.6 177 424 A K H < S+ 0 0 146 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.841 116.4 46.6 -70.5 -32.6 30.4 -20.8 4.7 178 425 A I H < S+ 0 0 81 -4,-2.4 -2,-0.2 1,-0.1 -3,-0.2 0.947 120.0 36.6 -69.6 -50.4 31.1 -23.2 1.8 179 426 A H H < S+ 0 0 64 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.739 132.1 25.7 -81.8 -28.5 34.3 -21.6 0.6 180 427 A Q >< + 0 0 43 -4,-2.2 3,-1.8 -5,-0.3 -1,-0.3 -0.567 68.6 163.8-131.3 71.9 35.8 -20.6 4.1 181 428 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.722 75.8 51.3 -66.1 -20.3 34.2 -23.1 6.5 182 429 A E T 3 S+ 0 0 175 1,-0.2 -5,-0.1 -3,-0.1 -3,-0.0 0.264 98.0 73.7 -96.2 12.1 36.8 -22.4 9.3 183 430 A N X + 0 0 50 -3,-1.8 3,-2.0 -7,-0.2 4,-0.3 -0.715 51.2 173.7-128.5 79.0 36.3 -18.6 9.1 184 431 A P T 3 S+ 0 0 110 0, 0.0 3,-0.4 0, 0.0 4,-0.4 0.748 77.4 63.1 -62.0 -19.8 33.0 -17.7 10.7 185 432 A Q T 3> S+ 0 0 118 1,-0.2 4,-2.2 2,-0.1 -2,-0.0 0.560 76.7 93.9 -74.5 -12.4 33.8 -14.0 10.3 186 433 A H H <> S+ 0 0 1 -3,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.872 81.0 49.2 -59.0 -45.1 34.0 -14.1 6.5 187 434 A F H > S+ 0 0 31 -3,-0.4 4,-2.1 -4,-0.3 3,-0.4 0.960 112.6 48.8 -63.0 -47.4 30.4 -13.0 5.7 188 435 A A H > S+ 0 0 67 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.880 106.3 58.4 -57.8 -38.4 30.6 -10.0 8.1 189 436 A C H X S+ 0 0 46 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.908 108.0 45.7 -54.4 -44.3 33.9 -9.1 6.5 190 437 A L H X S+ 0 0 0 -4,-1.9 4,-1.2 -3,-0.4 -2,-0.2 0.869 106.5 57.9 -73.8 -31.6 32.1 -8.8 3.1 191 438 A L H X S+ 0 0 69 -4,-2.1 4,-1.0 1,-0.2 3,-0.4 0.901 103.6 55.5 -58.7 -43.2 29.2 -6.8 4.6 192 439 A G H >X S+ 0 0 41 -4,-2.0 4,-2.2 1,-0.2 3,-0.6 0.879 101.7 55.6 -52.3 -45.0 31.8 -4.3 5.7 193 440 A R H 3X S+ 0 0 31 -4,-1.1 4,-2.8 1,-0.2 -1,-0.2 0.769 94.8 67.7 -68.4 -27.9 33.2 -3.9 2.2 194 441 A L H 3X S+ 0 0 29 -4,-1.2 4,-0.6 -3,-0.4 -1,-0.2 0.935 109.6 36.4 -50.3 -50.8 29.7 -3.0 0.9 195 442 A T H XX S+ 0 0 105 -4,-1.0 3,-0.9 -3,-0.6 4,-0.6 0.905 113.7 56.2 -70.9 -45.4 29.9 0.3 3.0 196 443 A E H >< S+ 0 0 71 -4,-2.2 3,-1.7 1,-0.3 4,-0.5 0.926 100.6 60.0 -56.7 -44.4 33.7 0.8 2.3 197 444 A L H >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.3 4,-0.4 0.847 93.8 66.6 -49.4 -34.9 33.0 0.7 -1.5 198 445 A R H XX S+ 0 0 79 -3,-0.9 3,-1.3 -4,-0.6 4,-0.6 0.768 84.3 70.4 -63.7 -24.6 30.7 3.7 -1.1 199 446 A T H XX S+ 0 0 75 -3,-1.7 4,-1.6 -4,-0.6 3,-0.5 0.815 88.3 66.8 -61.0 -27.1 33.6 6.0 -0.1 200 447 A F H <> S+ 0 0 5 -3,-1.5 4,-2.8 -4,-0.5 5,-0.3 0.760 85.1 69.6 -67.1 -24.2 34.7 5.7 -3.7 201 448 A N H <> S+ 0 0 56 -3,-1.3 4,-1.9 -4,-0.4 -1,-0.2 0.939 104.0 42.6 -58.7 -43.5 31.7 7.6 -5.0 202 449 A H H - 0 0 38 -168,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.231 360.0-107.4 -75.1 156.2 32.9 8.9 -24.1 214 467 A P H > S+ 0 0 118 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.907 119.8 49.7 -52.4 -39.6 29.2 8.9 -24.9 215 468 A L H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.941 111.5 47.2 -67.5 -43.0 28.5 6.0 -22.6 216 469 A L H >>S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.7 0.878 110.5 53.2 -66.0 -35.6 30.4 7.5 -19.6 217 470 A C H <5S+ 0 0 50 -4,-2.7 4,-0.4 1,-0.2 5,-0.3 0.848 111.4 47.4 -63.2 -32.7 28.6 10.8 -20.2 218 471 A E H <5S+ 0 0 119 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.885 124.8 27.3 -73.6 -41.4 25.3 8.9 -20.0 219 472 A I H <5S+ 0 0 13 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.857 127.6 38.4 -96.8 -43.9 26.1 6.9 -16.9 220 473 A W T <5S- 0 0 37 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.678 91.5-146.4 -76.5 -22.0 28.6 9.0 -14.9 221 474 A D < 0 0 93 -5,-0.7 -4,-0.1 -4,-0.4 -3,-0.1 0.908 360.0 360.0 44.3 95.1 26.8 12.3 -15.8 222 475 A V 0 0 108 -5,-0.3 -1,-0.1 -14,-0.0 -17,-0.0 -0.675 360.0 360.0-103.0 360.0 29.9 14.5 -16.0