==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 05-MAY-11 3RUT . COMPND 2 MOLECULE: BILE ACID RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.P.WILLIAMS,K.P.MADAUSS . 240 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 75.0 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 . 5 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 57.9 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 2 0 1 1 0 1 0 0 1 0 1 1 0 0 0 0 0 0 1 0 1 1 0 1 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 1 244 A E 0 0 109 0, 0.0 170,-0.0 0, 0.0 174,-0.0 0.000 360.0 360.0 360.0 140.2 -14.7 21.8 -29.0 2 245 A L - 0 0 125 169,-0.1 169,-0.0 1,-0.1 3,-0.0 0.982 360.0-165.6 64.4 91.7 -12.6 21.8 -25.8 3 246 A T > - 0 0 66 1,-0.1 4,-2.2 168,-0.0 3,-0.3 -0.516 33.8-109.9 -92.1 170.2 -9.8 19.2 -25.4 4 247 A P H > S+ 0 0 106 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.869 118.0 50.4 -74.6 -34.3 -8.3 18.6 -22.0 5 248 A D H > S+ 0 0 130 2,-0.2 4,-0.8 1,-0.2 -3,-0.0 0.614 114.6 47.2 -73.0 -14.9 -4.9 20.1 -22.8 6 249 A Q H > S+ 0 0 43 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.819 107.7 51.7 -92.4 -41.6 -6.8 23.2 -24.1 7 250 A Q H X S+ 0 0 50 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.824 114.9 46.3 -62.4 -31.7 -9.2 23.6 -21.2 8 251 A T H X S+ 0 0 90 -4,-1.3 4,-1.4 -5,-0.2 -1,-0.2 0.899 109.2 53.9 -73.6 -42.7 -6.1 23.5 -19.0 9 252 A L H X S+ 0 0 27 -4,-0.8 4,-1.1 1,-0.2 -2,-0.2 0.840 109.7 48.8 -60.9 -37.3 -4.1 26.0 -21.2 10 253 A L H X S+ 0 0 18 -4,-2.0 4,-3.6 2,-0.2 5,-0.3 0.909 107.9 49.7 -71.6 -46.5 -6.9 28.6 -21.0 11 254 A H H X S+ 0 0 149 -4,-1.2 4,-0.6 1,-0.2 -1,-0.2 0.738 110.1 52.1 -74.1 -22.5 -7.5 28.6 -17.2 12 255 A F H X S+ 0 0 49 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.848 115.4 43.7 -70.2 -38.2 -3.8 29.0 -16.6 13 256 A I H X S+ 0 0 2 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.940 112.9 47.5 -72.3 -50.7 -3.9 32.0 -19.0 14 257 A M H X S+ 0 0 25 -4,-3.6 4,-0.5 1,-0.2 -1,-0.2 0.706 110.1 56.9 -67.0 -19.1 -7.1 33.6 -17.7 15 258 A D H >< S+ 0 0 110 -4,-0.6 3,-0.5 -5,-0.3 4,-0.4 0.934 111.1 41.3 -69.1 -51.2 -5.6 33.2 -14.2 16 259 A S H >< S+ 0 0 24 -4,-1.6 3,-1.0 1,-0.2 -2,-0.2 0.882 112.9 54.3 -61.4 -42.8 -2.5 35.2 -15.3 17 260 A Y H 3< S+ 0 0 29 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.675 110.1 47.4 -68.8 -19.0 -4.6 37.8 -17.2 18 261 A N T << S+ 0 0 93 -4,-0.5 2,-1.4 -3,-0.5 -1,-0.2 0.436 73.4 121.7-103.0 -2.7 -6.7 38.5 -14.2 19 262 A K S < S- 0 0 64 -3,-1.0 2,-0.7 -4,-0.4 39,-0.1 -0.485 71.6-130.3 -61.6 92.7 -3.9 38.8 -11.7 20 263 A Q + 0 0 107 -2,-1.4 -1,-0.1 1,-0.2 -2,-0.1 -0.308 48.7 156.2 -55.7 97.1 -4.9 42.4 -10.7 21 264 A R + 0 0 38 -2,-0.7 -1,-0.2 2,-0.1 -3,-0.0 0.852 38.1 84.8-102.3 -44.5 -1.4 44.0 -11.2 22 265 A M S S- 0 0 48 1,-0.1 29,-0.0 2,-0.0 -1,-0.0 -0.526 83.5-124.5 -66.7 110.2 -1.8 47.7 -11.8 23 266 A P >> - 0 0 51 0, 0.0 4,-2.2 0, 0.0 3,-0.6 -0.273 5.5-133.9 -61.1 142.1 -2.1 49.2 -8.3 24 267 A Q H 3> S+ 0 0 126 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.859 104.7 63.3 -63.2 -36.8 -5.2 51.3 -7.7 25 268 A E H 34 S+ 0 0 145 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.856 110.1 40.0 -54.9 -38.4 -3.0 54.1 -6.1 26 269 A I H X4 S+ 0 0 32 -3,-0.6 3,-1.4 2,-0.2 4,-0.2 0.952 116.5 46.4 -76.1 -54.3 -1.3 54.5 -9.4 27 270 A T H >< S+ 0 0 7 -4,-2.2 3,-1.7 1,-0.3 4,-0.4 0.780 99.3 70.4 -65.8 -28.0 -4.3 54.2 -11.8 28 271 A N T >X S+ 0 0 56 -4,-2.8 3,-2.0 1,-0.3 4,-1.5 0.808 81.4 76.0 -55.5 -31.7 -6.4 56.6 -9.6 29 272 A K H <> S+ 0 0 63 -3,-1.4 4,-1.3 -4,-0.4 -1,-0.3 0.739 79.9 69.4 -54.2 -27.5 -4.2 59.4 -10.8 30 273 A I H <4 S+ 0 0 5 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.881 110.3 35.6 -55.9 -36.2 -6.0 59.3 -14.1 31 274 A L H <4 S+ 0 0 95 -3,-2.0 -2,-0.2 -4,-0.4 -1,-0.1 0.965 122.7 35.8 -80.3 -59.7 -9.0 60.7 -12.1 32 275 A K H < S+ 0 0 163 -4,-1.5 -3,-0.2 2,-0.0 -2,-0.1 0.799 92.9 87.6 -79.2 -34.0 -7.6 63.1 -9.4 33 276 A E S < S- 0 0 58 -4,-1.3 7,-0.0 -5,-0.2 2,-0.0 -0.108 86.5 -87.0 -67.0 164.7 -4.6 64.9 -11.0 34 277 A E - 0 0 128 1,-0.1 2,-0.9 5,-0.0 -1,-0.1 -0.281 34.8-120.0 -70.3 157.0 -4.9 68.1 -13.0 35 278 A F + 0 0 93 4,-0.1 2,-0.3 5,-0.0 -1,-0.1 -0.816 58.1 131.2-103.8 91.6 -5.6 68.0 -16.8 36 279 A S > - 0 0 31 -2,-0.9 4,-3.3 75,-0.1 5,-0.3 -0.949 68.8-109.1-132.6 157.1 -2.7 69.8 -18.5 37 280 A A H > S+ 0 0 47 -2,-0.3 4,-1.1 1,-0.2 5,-0.1 0.846 120.9 43.6 -50.6 -39.6 -0.6 68.7 -21.5 38 281 A E H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.1 -1,-0.2 0.954 116.2 44.1 -72.5 -51.4 2.4 68.1 -19.2 39 282 A E H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.849 111.6 54.7 -66.3 -35.6 0.5 66.3 -16.4 40 283 A N H X S+ 0 0 2 -4,-3.3 4,-2.0 71,-0.2 -1,-0.2 0.862 108.9 49.3 -61.5 -38.4 -1.4 64.2 -18.9 41 284 A F H X S+ 0 0 5 -4,-1.1 4,-2.1 -5,-0.3 -2,-0.2 0.878 110.5 48.8 -69.8 -40.0 1.9 63.1 -20.4 42 285 A L H X S+ 0 0 76 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.905 111.7 49.4 -66.5 -42.6 3.5 62.2 -17.0 43 286 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.943 111.7 48.1 -64.0 -46.5 0.4 60.1 -16.0 44 287 A L H X S+ 0 0 34 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.897 112.0 50.1 -59.5 -41.2 0.4 58.3 -19.3 45 288 A T H X S+ 0 0 16 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.886 110.9 50.3 -62.7 -39.2 4.1 57.6 -18.9 46 289 A E H X S+ 0 0 54 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.872 110.3 48.9 -67.5 -39.0 3.5 56.4 -15.4 47 290 A M H X S+ 0 0 21 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.964 113.1 47.4 -62.8 -51.8 0.7 54.0 -16.6 48 291 A A H X S+ 0 0 21 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.864 110.1 51.2 -58.1 -42.4 2.9 52.6 -19.4 49 292 A T H X S+ 0 0 21 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.844 113.2 45.6 -69.9 -33.6 6.0 52.0 -17.2 50 293 A N H X S+ 0 0 29 -4,-1.5 4,-1.6 -3,-0.2 -1,-0.2 0.822 112.3 52.1 -72.3 -33.6 3.9 50.1 -14.6 51 294 A H H X S+ 0 0 22 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.859 99.3 61.9 -74.0 -35.3 2.2 48.2 -17.4 52 295 A V H X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.854 107.9 46.7 -54.8 -35.3 5.5 47.1 -18.9 53 296 A Q H X S+ 0 0 72 -4,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.888 110.2 50.9 -73.0 -41.7 6.1 45.4 -15.6 54 297 A V H X S+ 0 0 30 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.894 111.4 49.6 -62.0 -39.9 2.6 43.9 -15.5 55 298 A L H X S+ 0 0 14 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.881 107.5 53.0 -66.7 -40.6 3.3 42.5 -19.1 56 299 A V H X S+ 0 0 3 -4,-1.6 4,-0.9 -5,-0.2 -1,-0.2 0.809 112.6 45.0 -67.3 -31.5 6.7 41.0 -18.1 57 300 A E H X S+ 0 0 110 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.928 115.3 47.6 -72.9 -48.2 5.1 39.1 -15.2 58 301 A F H < S+ 0 0 16 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.893 112.4 49.0 -56.4 -45.0 2.2 38.0 -17.4 59 302 A T H >< S+ 0 0 2 -4,-3.2 3,-0.8 1,-0.2 -1,-0.2 0.797 106.4 58.0 -67.7 -29.9 4.5 37.0 -20.2 60 303 A K H 3< S+ 0 0 52 -4,-0.9 6,-0.3 1,-0.2 5,-0.2 0.944 103.4 52.2 -61.3 -48.1 6.6 35.0 -17.6 61 304 A K T 3< S+ 0 0 56 -4,-1.9 -1,-0.2 4,-0.1 -2,-0.2 0.470 84.3 114.1 -73.0 -1.8 3.5 33.0 -16.7 62 305 A L S X S- 0 0 6 -3,-0.8 3,-1.8 -4,-0.2 4,-0.4 -0.571 82.8 -96.2 -70.1 132.1 2.9 32.1 -20.3 63 306 A P T 3 S- 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.252 101.1 -3.6 -51.4 120.3 3.4 28.3 -21.0 64 307 A G T > S+ 0 0 38 -4,-0.1 3,-0.6 1,-0.1 4,-0.3 0.502 92.2 121.4 78.4 6.0 6.9 27.5 -22.2 65 308 A F G X S+ 0 0 0 -3,-1.8 3,-1.0 -5,-0.2 -4,-0.1 0.865 75.3 50.8 -67.1 -36.6 8.1 31.1 -22.5 66 309 A Q G 3 S+ 0 0 124 -4,-0.4 -1,-0.2 -6,-0.3 4,-0.0 0.534 98.3 66.8 -82.0 -7.7 11.0 30.4 -20.0 67 310 A T G < S+ 0 0 92 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.2 0.556 87.8 94.4 -82.5 -11.2 12.1 27.4 -22.1 68 311 A L S < S- 0 0 15 -3,-1.0 2,-0.1 -4,-0.3 5,-0.0 -0.268 92.0 -80.4 -76.9 165.8 13.0 29.8 -24.9 69 312 A D > - 0 0 86 88,-0.1 4,-1.7 1,-0.1 -1,-0.1 -0.379 36.1-128.0 -62.7 143.1 16.5 31.3 -25.7 70 313 A H H > S+ 0 0 115 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.850 109.2 51.6 -66.1 -37.8 17.3 34.3 -23.5 71 314 A E H > S+ 0 0 68 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.849 111.2 49.4 -65.7 -34.1 18.2 36.6 -26.4 72 315 A D H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.808 101.3 63.8 -73.3 -31.2 14.8 35.7 -28.0 73 316 A Q H X S+ 0 0 8 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.875 106.1 43.6 -61.2 -39.1 12.9 36.4 -24.8 74 317 A I H X S+ 0 0 31 -4,-1.1 4,-3.1 2,-0.2 5,-0.3 0.917 108.9 57.4 -70.1 -45.7 13.9 40.1 -25.0 75 318 A A H X S+ 0 0 14 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.856 107.9 47.3 -54.7 -41.8 13.2 40.4 -28.7 76 319 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.895 113.5 47.7 -66.3 -44.2 9.6 39.3 -28.2 77 320 A L H X S+ 0 0 6 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.903 113.7 47.0 -65.0 -42.8 9.1 41.7 -25.3 78 321 A K H < S+ 0 0 43 -4,-3.1 4,-0.4 1,-0.2 -2,-0.2 0.900 116.9 43.4 -66.1 -41.0 10.6 44.6 -27.1 79 322 A G H < S+ 0 0 18 -4,-2.1 4,-0.3 -5,-0.3 -2,-0.2 0.803 122.2 36.0 -74.2 -30.8 8.6 43.9 -30.3 80 323 A S H X S+ 0 0 2 -4,-2.0 4,-3.1 -5,-0.1 5,-0.3 0.641 88.5 88.3-102.2 -18.6 5.2 43.2 -28.6 81 324 A A H X S+ 0 0 5 -4,-1.8 4,-1.9 1,-0.2 -1,-0.1 0.881 92.6 48.1 -52.4 -43.0 5.1 45.6 -25.6 82 325 A V H > S+ 0 0 5 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.921 113.5 46.0 -64.0 -44.6 3.5 48.4 -27.7 83 326 A E H > S+ 0 0 1 -4,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.889 110.8 53.4 -67.9 -38.8 0.9 46.1 -29.2 84 327 A A H X S+ 0 0 2 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.876 109.6 50.2 -58.5 -38.1 0.1 44.6 -25.8 85 328 A M H X S+ 0 0 27 -4,-1.9 4,-2.4 -5,-0.3 5,-0.3 0.897 106.6 52.0 -71.4 -42.8 -0.5 48.2 -24.6 86 329 A F H X S+ 0 0 19 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.870 111.7 50.4 -56.0 -38.1 -2.8 49.2 -27.4 87 330 A L H X S+ 0 0 3 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.907 110.6 45.6 -71.3 -42.9 -4.8 46.0 -26.6 88 331 A R H X S+ 0 0 72 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.907 114.5 47.9 -68.1 -42.6 -5.1 46.7 -22.8 89 332 A S H X S+ 0 0 20 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.837 109.4 55.4 -64.5 -35.6 -6.1 50.4 -23.3 90 333 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.3 5,-0.3 0.926 105.6 50.8 -59.0 -47.3 -8.6 49.2 -25.9 91 334 A E H X S+ 0 0 1 -4,-2.1 4,-1.7 1,-0.2 6,-0.5 0.865 107.9 55.2 -59.0 -36.1 -10.1 46.9 -23.3 92 335 A I H <>S+ 0 0 12 -4,-1.6 5,-0.9 1,-0.2 4,-0.4 0.943 114.0 37.8 -60.8 -50.3 -10.3 49.9 -21.0 93 336 A F H <5S+ 0 0 27 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.830 122.2 43.2 -71.8 -34.2 -12.3 52.1 -23.5 94 337 A N H <5S+ 0 0 46 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.970 122.3 31.8 -79.7 -59.2 -14.5 49.2 -24.9 95 338 A K T <5S- 0 0 81 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.1 0.382 104.2-126.2 -83.7 4.1 -15.5 47.3 -21.8 96 339 A K T 5 - 0 0 66 -4,-0.4 -3,-0.2 -5,-0.2 -4,-0.2 0.893 30.2-156.3 54.6 48.7 -15.5 50.5 -19.7 97 340 A L >>X - 0 0 27 -5,-0.9 3,-1.2 -6,-0.5 4,-0.9 -0.319 12.8-137.8 -60.4 130.6 -13.1 49.1 -17.1 98 341 A P T 345S+ 0 0 113 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.801 103.0 53.6 -63.1 -31.9 -13.5 51.0 -13.8 99 342 A S T 345S+ 0 0 50 1,-0.2 -2,-0.1 2,-0.1 -7,-0.1 0.601 104.5 58.2 -76.0 -14.1 -9.7 51.1 -13.1 100 343 A G T <45S- 0 0 3 -3,-1.2 5,-0.3 -8,-0.1 -1,-0.2 0.749 88.9-149.1 -84.2 -28.1 -9.2 52.6 -16.6 101 344 A H T >X5 - 0 0 36 -4,-0.9 4,-2.8 -3,-0.2 3,-0.5 0.974 19.7-159.1 53.9 59.4 -11.4 55.7 -16.0 102 345 A S H 3> S+ 0 0 123 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.894 118.6 43.6 -59.4 -43.2 -13.4 59.1 -20.4 104 347 A L H <> S+ 0 0 49 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.880 110.7 54.0 -72.3 -39.8 -10.6 60.8 -18.5 105 348 A L H X S+ 0 0 16 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.2 0.859 109.3 51.1 -59.2 -34.4 -7.9 58.4 -19.8 106 349 A E H X S+ 0 0 55 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.893 107.1 52.4 -68.5 -40.2 -9.2 59.5 -23.3 107 350 A E H X S+ 0 0 117 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.866 110.2 49.0 -62.1 -38.0 -8.9 63.2 -22.3 108 351 A R H >< S+ 0 0 0 -4,-2.0 3,-0.8 2,-0.2 -2,-0.2 0.928 112.0 46.4 -69.8 -47.1 -5.3 62.7 -21.3 109 352 A I H >< S+ 0 0 15 -4,-2.0 3,-0.6 1,-0.2 5,-0.4 0.930 110.3 55.1 -58.1 -45.1 -4.3 60.8 -24.4 110 353 A R H 3< S+ 0 0 124 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.621 116.1 37.9 -68.6 -15.2 -6.0 63.5 -26.6 111 354 A N T << S+ 0 0 82 -3,-0.8 -1,-0.3 -4,-0.6 -71,-0.2 -0.628 86.5 96.5-134.0 76.6 -4.0 66.3 -24.9 112 355 A S S < S- 0 0 2 -3,-0.6 3,-0.1 2,-0.2 -1,-0.1 0.009 105.4 -80.8-150.6 32.7 -0.5 64.9 -24.4 113 356 A G S S+ 0 0 48 1,-0.3 2,-0.3 -3,-0.1 -3,-0.1 0.323 84.1 139.4 85.8 -7.6 1.5 66.2 -27.3 114 357 A I - 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0 0 76 -3,-0.3 3,-0.7 -7,-0.2 -1,-0.2 -0.900 58.4-177.5-140.2 112.7 -20.7 33.6 -37.6 184 427 A P T > S+ 0 0 99 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.530 77.7 79.8 -84.2 -5.6 -17.5 31.7 -38.3 185 428 A Q T 3> S+ 0 0 123 1,-0.2 4,-1.4 2,-0.1 5,-0.1 0.350 70.0 91.1 -75.7 6.5 -15.8 34.8 -39.7 186 429 A H H <> S+ 0 0 12 -3,-0.7 4,-2.1 -6,-0.2 -1,-0.2 0.884 78.1 55.2 -72.6 -40.4 -15.2 35.7 -36.0 187 430 A F H <> S+ 0 0 27 -3,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.908 109.5 48.3 -56.8 -42.5 -11.8 34.0 -35.8 188 431 A A H > S+ 0 0 55 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.812 107.7 54.8 -70.7 -32.9 -10.6 36.1 -38.8 189 432 A C H X S+ 0 0 50 -4,-1.4 4,-0.8 2,-0.2 -1,-0.2 0.906 110.0 47.2 -62.4 -42.9 -11.9 39.3 -37.3 190 433 A L H >< S+ 0 0 1 -4,-2.1 3,-0.7 1,-0.2 4,-0.4 0.923 114.5 45.4 -64.9 -45.1 -9.9 38.6 -34.1 191 434 A L H >X S+ 0 0 45 -4,-2.2 3,-1.0 1,-0.2 4,-0.7 0.748 100.7 70.9 -70.4 -24.5 -6.7 37.8 -36.1 192 435 A G H >X S+ 0 0 27 -4,-1.6 4,-1.3 1,-0.2 3,-0.6 0.823 89.6 61.0 -58.9 -34.2 -7.4 40.9 -38.3 193 436 A R H S+ 0 0 33 -3,-1.0 4,-1.0 -4,-0.4 -1,-0.2 0.894 104.6 42.9 -58.8 -40.7 -2.9 41.6 -35.2 195 438 A T H X S+ 0 0 73 -4,-1.5 3,-1.6 -5,-0.2 4,-1.1 0.832 96.8 78.2 -73.6 -31.9 4.0 54.5 -36.4 204 447 A H H 3X S+ 0 0 21 -4,-3.0 4,-1.9 1,-0.3 -1,-0.2 0.770 83.2 63.0 -54.3 -34.1 4.8 54.5 -32.7 205 448 A A H 3X S+ 0 0 57 -4,-0.7 4,-1.7 -3,-0.4 -1,-0.3 0.868 101.9 52.0 -59.4 -37.9 8.5 55.2 -33.2 206 449 A E H <> S+ 0 0 117 -3,-1.6 4,-2.4 -4,-0.3 -1,-0.2 0.909 104.6 55.8 -64.3 -45.5 7.5 58.6 -34.7 207 450 A M H X S+ 0 0 19 -4,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.939 108.5 48.0 -50.6 -50.0 5.3 59.5 -31.7 208 451 A L H X S+ 0 0 11 -4,-1.9 4,-3.2 1,-0.2 -1,-0.2 0.873 108.4 54.3 -61.7 -39.2 8.3 58.9 -29.4 209 452 A M H X S+ 0 0 108 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.943 106.4 51.9 -58.2 -49.6 10.6 61.1 -31.7 210 453 A S H < S+ 0 0 55 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.883 114.5 43.3 -54.1 -44.8 8.1 64.0 -31.5 211 454 A W H ><>S+ 0 0 27 -4,-1.8 3,-1.4 -5,-0.2 5,-0.7 0.948 110.9 54.3 -64.7 -52.1 8.1 63.7 -27.7 212 455 A R H ><5S+ 0 0 98 -4,-3.2 3,-1.4 1,-0.3 4,-0.3 0.890 105.7 51.4 -52.9 -47.7 11.9 63.3 -27.4 213 456 A V T 3<5S+ 0 0 120 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.671 105.1 60.0 -65.6 -16.9 12.7 66.4 -29.4 214 457 A N T < 5S- 0 0 100 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 -0.106 124.3-103.9 -97.6 34.6 10.3 68.2 -27.0 215 458 A D T < 5 + 0 0 152 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.908 61.2 171.2 45.4 56.1 12.5 67.3 -24.0 216 459 A H < - 0 0 47 -5,-0.7 -1,-0.2 -4,-0.3 -5,-0.0 -0.788 26.6-142.1-104.8 148.7 10.2 64.5 -22.8 217 460 A K + 0 0 101 -2,-0.3 -1,-0.1 1,-0.0 -2,-0.0 0.977 23.3 170.5 -75.8 -67.5 11.1 62.1 -20.0 218 461 A F - 0 0 22 4,-0.0 -173,-0.0 5,-0.0 -172,-0.0 -0.184 43.2 -89.9 60.0-174.6 10.1 58.5 -20.4 219 462 A T > - 0 0 33 -174,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.848 26.6-106.0-123.4 161.0 11.6 56.1 -17.8 220 463 A P H > S+ 0 0 104 0, 0.0 4,-1.2 0, 0.0 14,-0.1 0.867 122.1 48.4 -49.6 -39.7 14.7 53.9 -17.8 221 464 A L H > S+ 0 0 16 2,-0.2 4,-2.6 1,-0.2 3,-0.3 0.952 110.8 46.4 -70.5 -53.2 12.5 50.9 -18.4 222 465 A L H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.880 112.4 53.0 -54.2 -41.9 10.4 52.3 -21.3 223 466 A C H <>S+ 0 0 28 -4,-2.5 5,-1.9 2,-0.2 4,-0.3 0.823 110.3 48.1 -63.6 -34.4 13.6 53.5 -22.9 224 467 A E H ><5S+ 0 0 27 -4,-1.2 3,-1.1 -3,-0.3 -2,-0.2 0.966 113.7 44.6 -69.2 -53.0 15.1 50.0 -22.6 225 468 A I H 3<5S+ 0 0 4 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.714 123.8 36.2 -65.5 -23.8 12.0 48.2 -24.1 226 469 A W T 3<5S- 0 0 43 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.208 105.6-119.5-116.4 12.9 11.6 50.7 -26.9 227 470 A D T < 5 + 0 0 95 -3,-1.1 2,-0.7 -4,-0.3 -3,-0.2 0.910 42.2 175.6 48.7 50.4 15.3 51.5 -27.7 228 471 A V < 0 0 20 -5,-1.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.831 360.0 360.0 -81.9 115.5 15.1 55.2 -26.9 229 472 A Q 0 0 146 -2,-0.7 -1,-0.1 -3,-0.1 -5,-0.0 0.039 360.0 360.0 -60.0 360.0 18.7 56.3 -27.4 230 !* 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 0.0 231 745 B D 0 0 125 0, 0.0 -7,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.6 22.8 45.7 -22.6 232 746 B H > + 0 0 69 1,-0.1 4,-1.1 3,-0.1 -8,-0.0 0.925 360.0 160.3 54.2 55.8 19.1 45.5 -21.9 233 747 B Q H > + 0 0 143 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.847 59.2 58.2 -80.1 -39.1 19.6 44.9 -18.2 234 748 B L H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.847 107.9 47.7 -64.4 -37.5 16.2 45.9 -16.6 235 749 B L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 113.2 49.2 -66.6 -44.3 14.3 43.4 -18.8 236 750 B R H X S+ 0 0 36 -4,-1.1 4,-1.6 1,-0.2 -2,-0.2 0.959 112.1 49.0 -55.5 -53.1 16.8 40.7 -17.9 237 751 B Y H < S+ 0 0 157 -4,-3.3 4,-0.4 1,-0.2 -2,-0.2 0.883 112.1 47.3 -54.1 -45.9 16.4 41.6 -14.2 238 752 B L H >< S+ 0 0 31 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.849 109.6 54.2 -68.0 -35.7 12.6 41.5 -14.3 239 753 B L H 3< S+ 0 0 8 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.807 113.0 42.2 -66.7 -32.6 12.6 38.2 -16.1 240 754 B D T 3< 0 0 119 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.377 360.0 360.0 -97.7 2.6 14.8 36.5 -13.4 241 755 B K < 0 0 85 -3,-0.6 -2,-0.1 -4,-0.4 -3,-0.1 0.849 360.0 360.0 -89.5 360.0 13.0 38.1 -10.5