==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 19-MAR-03 1OSH . COMPND 2 MOLECULE: BILE ACID RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.DOWNES,M.A.VERDECIA,A.J.ROECKER,R.HUGHES,J.B.HOGENESCH, . 216 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11694.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 79.2 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 . 6 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 0 1 0 0 0 0 3 1 2 0 0 0 0 0 0 1 1 0 0 0 1 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 1 245 A S 0 0 143 0, 0.0 2,-0.8 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 -3.8 -7.6 17.9 22.0 2 246 A H > - 0 0 37 1,-0.2 3,-1.6 4,-0.1 8,-0.1 -0.709 360.0-149.2 -70.4 116.9 -3.9 18.6 21.2 3 247 A G T 3 S+ 0 0 71 -2,-0.8 -1,-0.2 1,-0.3 7,-0.0 0.617 89.6 67.6 -66.2 -7.8 -3.7 16.8 17.8 4 248 A E T 3 S+ 0 0 101 2,-0.1 2,-0.3 159,-0.0 -1,-0.3 0.684 87.9 79.5 -83.1 -17.8 -0.0 16.0 18.4 5 249 A L S < S- 0 0 7 -3,-1.6 155,-0.0 1,-0.1 0, 0.0 -0.711 86.8-118.4 -88.6 146.7 -0.9 13.7 21.3 6 250 A T > - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.229 35.9 -99.9 -71.1 169.0 -2.1 10.1 20.5 7 251 A P H > S+ 0 0 101 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.904 126.4 53.2 -58.9 -38.5 -5.6 9.3 21.8 8 252 A D H > S+ 0 0 133 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.896 110.6 46.5 -62.0 -44.0 -4.1 7.5 24.8 9 253 A Q H > S+ 0 0 27 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.851 106.5 59.0 -66.5 -36.9 -2.0 10.6 25.6 10 254 A Q H X S+ 0 0 62 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.930 109.4 43.2 -60.6 -41.7 -5.0 12.8 25.2 11 255 A T H X S+ 0 0 75 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.870 111.5 53.8 -74.5 -33.5 -6.9 10.9 27.9 12 256 A L H X S+ 0 0 38 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.936 113.5 42.9 -59.2 -50.0 -3.9 10.7 30.2 13 257 A L H X S+ 0 0 12 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.922 111.3 55.6 -64.5 -43.4 -3.5 14.5 30.0 14 258 A H H X S+ 0 0 111 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.939 110.0 44.1 -57.4 -48.8 -7.2 15.1 30.4 15 259 A F H X S+ 0 0 123 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.920 112.7 53.1 -65.8 -37.0 -7.5 13.2 33.6 16 260 A I H X S+ 0 0 3 -4,-2.2 4,-3.0 -5,-0.2 -2,-0.2 0.957 112.6 43.0 -62.6 -44.2 -4.3 14.8 34.9 17 261 A M H X S+ 0 0 15 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.871 107.9 59.3 -70.5 -35.1 -5.7 18.3 34.3 18 262 A D H < S+ 0 0 76 -4,-2.7 4,-0.3 -5,-0.3 -1,-0.2 0.929 114.5 37.8 -57.9 -44.2 -9.1 17.5 35.6 19 263 A S H >< S+ 0 0 14 -4,-2.1 3,-1.4 -5,-0.2 -2,-0.2 0.943 117.8 48.4 -71.3 -47.8 -7.5 16.6 38.9 20 264 A Y H 3< S+ 0 0 4 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.864 97.5 69.6 -60.2 -41.4 -4.8 19.4 38.9 21 265 A N T 3< S+ 0 0 91 -4,-3.0 2,-1.1 1,-0.2 -1,-0.3 0.696 87.7 73.5 -51.7 -20.9 -7.4 22.1 38.0 22 266 A K S < S+ 0 0 135 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.2 -0.743 70.9 125.0 -95.0 85.1 -8.7 21.5 41.6 23 267 A Q - 0 0 38 -2,-1.1 2,-0.3 24,-0.0 -3,-0.0 -0.993 36.0-170.4-145.8 149.2 -5.9 23.2 43.6 24 268 A R + 0 0 130 -2,-0.3 19,-0.1 15,-0.1 -2,-0.0 -0.945 29.9 152.1-151.7 159.3 -6.1 26.0 46.1 25 269 A M 0 0 87 -2,-0.3 -2,-0.0 1,-0.1 11,-0.0 -0.493 360.0 360.0-151.4-158.5 -4.9 28.7 48.5 26 270 A P 0 0 161 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.167 360.0 360.0-149.0 360.0 -6.7 32.0 49.8 27 ! 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 28 286 A E > 0 0 174 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -60.4 0.6 32.3 65.5 29 287 A N H > + 0 0 35 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.905 360.0 45.4 -62.6 -50.2 3.5 32.2 63.1 30 288 A F H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.819 113.3 51.8 -59.6 -34.2 3.9 28.4 63.5 31 289 A L H > S+ 0 0 104 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.892 109.3 49.5 -72.8 -38.7 0.2 28.0 63.1 32 290 A I H X S+ 0 0 72 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.959 113.8 45.5 -62.8 -50.8 0.2 30.1 59.9 33 291 A L H X S+ 0 0 43 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.898 112.8 52.3 -54.5 -45.5 3.1 28.0 58.5 34 292 A T H X S+ 0 0 17 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.905 107.3 50.9 -60.1 -42.2 1.2 24.8 59.6 35 293 A E H X S+ 0 0 137 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.922 111.2 48.8 -62.9 -45.8 -1.9 25.9 57.9 36 294 A M H X S+ 0 0 84 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.937 112.7 46.1 -60.0 -49.1 0.0 26.5 54.7 37 295 A A H X S+ 0 0 6 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.889 110.3 55.5 -59.1 -40.6 1.9 23.1 54.8 38 296 A T H X S+ 0 0 37 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.920 105.9 50.1 -59.5 -45.5 -1.4 21.4 55.6 39 297 A N H X S+ 0 0 26 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.939 111.8 50.2 -57.5 -46.4 -3.0 22.8 52.4 40 298 A H H X S+ 0 0 23 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.898 112.1 45.5 -60.5 -43.3 0.1 21.6 50.5 41 299 A V H X S+ 0 0 5 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.904 111.0 52.5 -70.4 -39.4 -0.1 18.1 51.8 42 300 A Q H X S+ 0 0 84 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.935 112.5 44.4 -62.1 -45.5 -3.9 17.8 51.3 43 301 A V H X S+ 0 0 9 -4,-2.4 4,-2.4 -5,-0.2 5,-0.3 0.894 111.3 55.5 -67.3 -33.1 -3.6 18.8 47.7 44 302 A L H X S+ 0 0 10 -4,-1.9 4,-2.9 -5,-0.3 5,-0.2 0.960 110.6 44.5 -59.3 -51.5 -0.6 16.5 47.2 45 303 A V H X S+ 0 0 43 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.950 114.3 50.1 -59.7 -46.9 -2.6 13.5 48.5 46 304 A E H X S+ 0 0 81 -4,-2.6 4,-0.7 -5,-0.2 -1,-0.2 0.898 115.1 41.1 -61.4 -39.9 -5.6 14.4 46.4 47 305 A F H >< S+ 0 0 9 -4,-2.4 3,-1.0 -5,-0.2 4,-0.4 0.939 113.3 54.9 -71.7 -47.0 -3.6 14.8 43.2 48 306 A T H >< S+ 0 0 3 -4,-2.9 3,-1.5 -5,-0.3 -2,-0.2 0.892 102.1 56.2 -53.5 -42.6 -1.5 11.7 43.9 49 307 A K H 3< S+ 0 0 82 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.759 107.8 49.5 -66.0 -23.5 -4.5 9.4 44.3 50 308 A K T << S+ 0 0 127 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.405 79.0 125.0 -94.8 -0.5 -5.8 10.3 40.8 51 309 A L S X S- 0 0 5 -3,-1.5 3,-2.6 -4,-0.4 4,-0.5 -0.378 76.5 -97.6 -60.5 135.8 -2.5 9.8 39.0 52 310 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.276 108.3 7.3 -57.0 125.3 -3.1 7.3 36.1 53 311 A G T > S+ 0 0 29 -3,-0.1 3,-1.9 1,-0.0 4,-0.4 0.248 93.1 117.3 87.3 -11.4 -2.0 3.9 37.2 54 312 A F G X + 0 0 12 -3,-2.6 3,-1.5 1,-0.3 -4,-0.1 0.892 69.9 59.1 -62.8 -31.6 -1.4 4.9 40.9 55 313 A Q G 3 S+ 0 0 128 -4,-0.5 -1,-0.3 1,-0.3 4,-0.1 0.664 97.4 62.3 -72.8 -11.7 -4.1 2.5 42.1 56 314 A T G < S+ 0 0 113 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.573 84.9 102.6 -86.6 -6.4 -2.2 -0.5 40.6 57 315 A L S < S- 0 0 8 -3,-1.5 5,-0.1 -4,-0.4 -4,-0.0 -0.484 85.9 -92.4 -80.2 150.1 0.9 0.0 42.8 58 316 A D > - 0 0 66 -2,-0.2 4,-2.2 1,-0.1 -1,-0.1 -0.239 41.0-124.0 -50.2 138.3 1.9 -2.0 46.0 59 317 A H H > S+ 0 0 142 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.866 108.7 50.3 -64.7 -39.3 0.5 -0.1 49.0 60 318 A E H > S+ 0 0 130 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 110.9 50.2 -63.5 -38.9 3.7 0.4 50.8 61 319 A D H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.888 105.4 57.7 -67.4 -34.2 5.3 1.8 47.7 62 320 A Q H X S+ 0 0 25 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.923 109.0 44.5 -58.6 -47.2 2.4 4.2 47.2 63 321 A I H X S+ 0 0 77 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.889 110.4 55.2 -65.8 -38.0 3.1 5.7 50.6 64 322 A A H X S+ 0 0 17 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.835 109.5 46.6 -61.8 -33.7 6.8 5.8 49.9 65 323 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.899 112.1 51.6 -72.7 -43.1 6.2 7.8 46.7 66 324 A L H X S+ 0 0 22 -4,-2.1 4,-1.0 -5,-0.2 3,-0.3 0.957 117.5 36.5 -59.3 -54.1 3.8 10.2 48.6 67 325 A K H < S+ 0 0 62 -4,-2.7 3,-0.4 1,-0.2 4,-0.4 0.891 114.2 56.7 -67.3 -40.3 6.3 10.9 51.4 68 326 A G H < S+ 0 0 24 -4,-1.8 4,-0.3 -5,-0.3 -1,-0.2 0.789 114.8 39.9 -59.9 -29.0 9.3 10.9 49.1 69 327 A S H X S+ 0 0 0 -4,-1.6 4,-2.9 -3,-0.3 5,-0.3 0.554 86.4 96.6 -99.6 -11.5 7.7 13.6 46.9 70 328 A A H X S+ 0 0 6 -4,-1.0 4,-1.7 -3,-0.4 -1,-0.1 0.851 87.6 41.0 -50.6 -48.2 6.1 15.9 49.5 71 329 A V H > S+ 0 0 17 -4,-0.4 4,-2.0 2,-0.2 5,-0.2 0.949 118.0 46.7 -70.2 -45.8 8.8 18.6 49.8 72 330 A E H > S+ 0 0 1 -4,-0.3 4,-2.5 1,-0.2 5,-0.2 0.913 112.5 49.8 -63.4 -40.3 9.5 18.8 46.1 73 331 A A H X S+ 0 0 9 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.887 109.5 53.4 -62.9 -40.9 5.7 19.0 45.2 74 332 A M H X S+ 0 0 22 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.900 111.3 44.3 -61.7 -41.7 5.3 21.7 47.7 75 333 A F H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.877 113.6 50.0 -70.8 -36.9 8.1 23.8 46.1 76 334 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.930 113.5 45.6 -67.1 -44.3 7.0 23.2 42.6 77 335 A R H X S+ 0 0 10 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.909 112.7 49.5 -64.0 -41.5 3.4 24.2 43.5 78 336 A S H X S+ 0 0 17 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.874 109.5 55.4 -63.0 -38.0 4.6 27.3 45.4 79 337 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.913 107.7 46.5 -63.2 -42.8 6.7 28.1 42.4 80 338 A E H X>S+ 0 0 4 -4,-2.1 4,-2.9 1,-0.2 5,-0.6 0.913 112.5 51.1 -66.4 -41.3 3.6 28.0 40.1 81 339 A I H X>S+ 0 0 22 -4,-2.5 5,-2.4 1,-0.2 4,-1.6 0.926 110.4 48.5 -63.0 -43.5 1.7 30.1 42.5 82 340 A F H <5S+ 0 0 41 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.855 120.2 36.5 -63.7 -36.7 4.4 32.8 42.7 83 341 A N H <5S+ 0 0 56 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.847 131.4 22.9 -84.2 -39.6 4.8 33.0 38.9 84 342 A K H <5S+ 0 0 100 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.652 129.0 29.3-105.0 -20.4 1.3 32.6 37.7 85 343 A K T <> - 0 0 71 0, 0.0 3,-1.6 0, 0.0 4,-1.0 -0.277 29.0-121.5 -58.1 142.2 1.1 39.9 42.0 88 346 A S H >> S+ 0 0 94 1,-0.3 4,-1.9 2,-0.2 3,-1.0 0.892 115.1 65.9 -55.8 -34.0 4.8 40.5 42.3 89 347 A G H 3> S+ 0 0 44 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.837 100.1 47.6 -56.3 -33.1 3.7 43.1 44.9 90 348 A H H <> S+ 0 0 102 -3,-1.6 4,-1.5 1,-0.2 -1,-0.3 0.674 106.9 59.5 -84.0 -12.6 2.4 40.3 47.1 91 349 A S H < S+ 0 0 109 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.915 110.5 44.1 -64.6 -46.4 7.0 38.1 56.2 98 356 A I H >< S+ 0 0 27 -4,-2.5 3,-1.5 1,-0.2 5,-0.5 0.859 107.1 60.4 -71.7 -31.3 8.8 34.7 56.1 99 357 A R H 3< S+ 0 0 81 -4,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.750 108.4 44.3 -71.3 -14.9 12.2 36.3 56.8 100 358 A N T << S+ 0 0 116 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.1 -0.172 93.0 85.7-112.9 42.0 10.8 37.6 60.2 101 359 A S S < S- 0 0 12 -3,-1.5 -1,-0.2 2,-0.3 -2,-0.1 0.430 110.8-103.2-111.2 -7.7 9.1 34.2 60.9 102 360 A G S S+ 0 0 69 1,-0.5 -3,-0.1 -3,-0.3 -4,-0.1 -0.019 86.5 123.6 105.6 -27.4 12.2 32.8 62.5 103 361 A I - 0 0 12 -5,-0.5 -1,-0.5 1,-0.1 -2,-0.3 -0.368 58.8-126.3 -62.5 144.0 13.0 30.7 59.4 104 362 A S >> - 0 0 67 1,-0.1 4,-2.4 -3,-0.1 3,-1.3 -0.381 9.9-101.3 -98.2 176.4 16.4 31.5 58.2 105 363 A D T 34 S+ 0 0 92 1,-0.3 2,-2.9 2,-0.2 3,-0.2 0.096 110.8 61.8 -62.4-162.6 18.3 32.6 55.2 106 364 A E T 34 S+ 0 0 127 1,-0.2 -1,-0.3 -3,-0.1 90,-0.1 0.014 116.1 40.7 61.7 -42.1 19.9 29.5 53.9 107 365 A Y T <> S+ 0 0 15 -2,-2.9 4,-1.8 -3,-1.3 -2,-0.2 0.845 118.1 42.4 -96.3 -53.3 16.2 28.3 53.5 108 366 A I H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.912 110.9 54.4 -61.5 -45.3 14.5 31.5 52.2 109 367 A T H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 110.7 42.7 -61.5 -45.3 17.2 32.5 49.7 110 368 A P H > S+ 0 0 31 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.882 111.8 60.8 -67.3 -34.1 17.3 29.2 47.8 111 369 A M H X S+ 0 0 17 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.972 110.9 35.5 -50.8 -60.2 13.5 29.3 47.9 112 370 A F H X S+ 0 0 30 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.839 113.5 58.6 -69.1 -29.8 13.1 32.6 46.0 113 371 A S H X S+ 0 0 70 -4,-2.2 4,-3.0 -5,-0.3 -1,-0.2 0.942 108.2 47.0 -62.6 -43.9 16.1 31.9 43.8 114 372 A F H X S+ 0 0 0 -4,-2.6 4,-3.1 2,-0.2 5,-0.4 0.911 107.5 55.4 -62.4 -42.0 14.2 28.7 42.7 115 373 A Y H X S+ 0 0 8 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.920 113.9 41.8 -59.2 -40.4 10.9 30.5 42.1 116 374 A K H X S+ 0 0 126 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.929 113.0 55.5 -68.2 -45.3 12.7 33.0 39.8 117 375 A S H < S+ 0 0 16 -4,-3.0 3,-0.4 -5,-0.2 4,-0.3 0.920 113.7 36.5 -56.2 -49.0 14.7 30.2 38.2 118 376 A I H >< S+ 0 0 3 -4,-3.1 3,-1.7 1,-0.2 5,-0.5 0.839 108.4 66.7 -77.9 -26.2 11.7 28.1 37.2 119 377 A G H >< S+ 0 0 13 -4,-1.7 3,-1.4 -5,-0.4 -1,-0.2 0.813 91.0 65.7 -59.6 -30.9 9.8 31.3 36.4 120 378 A E T 3< S+ 0 0 130 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.742 92.2 61.6 -62.4 -22.8 12.3 31.8 33.5 121 379 A L T < S- 0 0 14 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.648 93.3-147.4 -81.2 -11.4 10.9 28.7 31.8 122 380 A K < - 0 0 166 -3,-1.4 -3,-0.1 -4,-0.3 -2,-0.1 0.894 25.2-167.1 49.1 46.8 7.5 30.3 31.5 123 381 A M - 0 0 3 -5,-0.5 -1,-0.1 1,-0.1 2,-0.1 -0.342 14.4-126.7 -66.9 145.6 5.8 26.9 31.9 124 382 A T > - 0 0 37 1,-0.1 4,-2.5 -2,-0.0 5,-0.2 -0.364 29.9-103.2 -80.7 168.5 2.1 26.5 31.1 125 383 A Q H > S+ 0 0 74 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.886 124.7 55.9 -59.1 -40.0 -0.3 24.9 33.6 126 384 A E H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.928 107.3 49.2 -60.9 -41.0 -0.2 21.7 31.6 127 385 A E H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.935 111.6 47.4 -65.1 -44.2 3.6 21.6 31.9 128 386 A Y H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.900 111.8 51.9 -61.9 -41.2 3.5 22.2 35.7 129 387 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.939 113.8 41.8 -62.9 -45.3 0.8 19.5 36.1 130 388 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.908 113.7 52.5 -68.4 -41.1 2.8 16.9 34.1 131 389 A L H X S+ 0 0 1 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.918 110.2 49.5 -62.4 -36.8 6.1 17.9 35.9 132 390 A T H X S+ 0 0 8 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.920 110.3 48.8 -65.4 -45.6 4.4 17.4 39.2 133 391 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.902 111.6 51.5 -60.8 -41.1 3.0 14.0 38.3 134 392 A I H < S+ 0 0 4 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.903 108.9 50.3 -64.1 -39.1 6.6 13.0 37.1 135 393 A V H >< S+ 0 0 2 -4,-2.3 3,-0.7 -5,-0.2 -1,-0.2 0.900 112.5 46.1 -63.8 -43.0 8.1 14.1 40.4 136 394 A I H 3< S+ 0 0 0 -4,-2.2 2,-1.1 1,-0.3 -2,-0.2 0.926 109.6 54.8 -70.0 -40.8 5.5 12.1 42.4 137 395 A L T 3< S+ 0 0 0 -4,-2.7 -1,-0.3 -5,-0.2 17,-0.1 -0.283 77.0 149.7 -87.7 55.6 6.0 9.0 40.2 138 396 A S X - 0 0 5 -2,-1.1 3,-1.3 -3,-0.7 13,-0.1 -0.760 37.0-158.0 -91.3 115.4 9.8 8.9 40.7 139 397 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.647 85.5 65.4 -70.1 -8.7 11.1 5.3 40.6 140 398 A D T 3 + 0 0 99 10,-0.1 3,-0.1 3,-0.0 7,-0.0 0.243 69.7 130.1 -99.1 14.2 14.2 6.2 42.5 141 399 A R X - 0 0 20 -3,-1.3 3,-1.4 1,-0.1 -76,-0.1 -0.254 69.1 -93.9 -65.2 152.8 12.6 7.1 45.9 142 400 A Q T 3 S+ 0 0 146 1,-0.2 -74,-0.1 -78,-0.1 -1,-0.1 -0.310 107.9 17.9 -62.5 150.1 14.0 5.6 49.0 143 401 A Y T 3 S+ 0 0 192 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.357 79.7 146.6 71.2 1.5 12.2 2.4 50.1 144 402 A I < - 0 0 9 -3,-1.4 3,-0.3 1,-0.2 -1,-0.2 -0.496 27.5-170.8 -67.7 123.1 10.5 1.6 46.8 145 403 A K S S+ 0 0 116 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.846 79.4 36.6 -85.5 -34.1 10.3 -2.2 46.5 146 404 A D > + 0 0 72 1,-0.1 4,-1.1 -88,-0.1 -1,-0.2 -0.793 64.3 164.6-120.0 85.0 9.1 -2.4 42.8 147 405 A R H > S+ 0 0 114 -2,-0.6 4,-3.0 -3,-0.3 5,-0.2 0.808 73.8 60.6 -70.3 -30.2 10.9 0.5 40.9 148 406 A E H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 99.9 54.4 -66.3 -38.5 10.1 -0.9 37.5 149 407 A A H > S+ 0 0 20 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.917 112.7 44.6 -60.7 -39.4 6.4 -0.7 38.1 150 408 A V H >X S+ 0 0 0 -4,-1.1 4,-2.7 1,-0.2 3,-1.2 0.950 110.2 54.3 -69.3 -42.4 6.9 3.1 38.9 151 409 A E H 3X S+ 0 0 98 -4,-3.0 4,-2.8 1,-0.3 -1,-0.2 0.910 104.3 56.0 -54.4 -41.0 9.1 3.6 35.9 152 410 A K H 3< S+ 0 0 137 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.776 111.3 43.2 -64.8 -25.0 6.4 2.1 33.8 153 411 A L H X S+ 0 0 22 -4,-2.7 4,-2.3 1,-0.2 3,-0.8 0.890 98.8 65.5 -78.5 -38.9 6.4 7.6 34.8 155 413 A E H 3X S+ 0 0 84 -4,-2.8 4,-2.2 1,-0.3 -1,-0.2 0.895 99.1 51.8 -54.5 -44.9 7.7 7.0 31.3 156 414 A P H 3> S+ 0 0 51 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.832 110.9 49.2 -62.8 -30.3 4.4 7.7 29.5 157 415 A L H < + 0 0 24 -4,-1.5 3,-2.1 -5,-0.3 6,-0.2 -0.356 63.7 159.1-144.3 60.0 7.4 26.4 22.9 170 428 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.750 74.8 60.4 -55.0 -24.4 8.2 25.1 19.4 171 429 A E T 3 S+ 0 0 141 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.581 97.1 62.8 -82.2 -9.0 10.9 27.8 19.0 172 430 A N X + 0 0 49 -3,-2.1 3,-2.0 -7,-0.2 4,-0.3 -0.784 60.4 177.8-119.6 81.5 12.9 26.5 22.0 173 431 A P T 3 S+ 0 0 124 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.624 81.0 53.6 -61.0 -16.4 14.0 22.9 21.2 174 432 A Q T 3> S+ 0 0 125 1,-0.2 4,-2.2 2,-0.1 5,-0.2 0.337 77.4 104.2 -98.2 4.4 16.0 22.5 24.5 175 433 A H H <> S+ 0 0 0 -3,-2.0 4,-2.0 -6,-0.2 -1,-0.2 0.929 78.5 50.1 -56.0 -41.1 12.9 23.5 26.6 176 434 A F H > S+ 0 0 38 -4,-0.3 4,-2.2 1,-0.3 -1,-0.2 0.919 110.1 50.5 -63.4 -43.5 12.2 19.9 27.7 177 435 A A H > S+ 0 0 62 -4,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.876 107.6 55.0 -58.6 -39.0 15.8 19.4 28.8 178 436 A C H X S+ 0 0 24 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.883 105.7 51.9 -64.5 -35.9 15.6 22.7 30.7 179 437 A L H X S+ 0 0 0 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.954 110.7 46.6 -64.4 -49.9 12.6 21.4 32.6 180 438 A L H >X S+ 0 0 61 -4,-2.2 3,-1.1 1,-0.2 4,-0.7 0.889 108.8 57.4 -57.6 -40.5 14.4 18.2 33.6 181 439 A G H >X S+ 0 0 41 -4,-2.4 3,-1.6 1,-0.3 4,-0.9 0.930 101.0 55.5 -55.7 -46.1 17.4 20.4 34.6 182 440 A R H 3X S+ 0 0 47 -4,-2.1 4,-2.1 1,-0.3 -1,-0.3 0.716 92.5 72.2 -61.5 -21.8 15.3 22.3 37.0 183 441 A L H < S+ 0 0 49 -4,-0.9 3,-0.7 1,-0.2 4,-0.5 0.869 109.5 56.7 -61.8 -37.2 17.5 22.3 41.7 186 444 A L H >< S+ 0 0 2 -4,-2.1 3,-1.3 1,-0.2 4,-0.2 0.905 100.0 57.2 -64.7 -38.0 14.1 21.1 43.0 187 445 A R H >< S+ 0 0 93 -4,-1.9 3,-1.6 1,-0.3 4,-0.5 0.705 89.0 73.7 -68.8 -20.4 15.6 18.1 44.9 188 446 A T T XX S+ 0 0 56 -4,-0.8 4,-2.3 -3,-0.7 3,-1.1 0.806 83.5 70.7 -62.4 -26.7 18.0 20.3 46.9 189 447 A F H <> S+ 0 0 1 -3,-1.3 4,-2.8 -4,-0.5 5,-0.3 0.747 81.3 71.3 -64.7 -18.4 14.9 21.4 48.9 190 448 A N H <> S+ 0 0 52 -3,-1.6 4,-1.5 -4,-0.2 -1,-0.3 0.925 108.6 35.9 -60.5 -35.7 14.8 17.9 50.5 191 449 A H H <> S+ 0 0 140 -3,-1.1 4,-2.2 -4,-0.5 5,-0.2 0.931 115.4 52.6 -81.3 -44.8 18.0 19.0 52.3 192 450 A H H X S+ 0 0 44 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.905 111.9 47.8 -59.0 -38.8 17.0 22.6 52.9 193 451 A H H X S+ 0 0 6 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.914 109.6 50.0 -69.7 -42.8 13.7 21.6 54.4 194 452 A A H X S+ 0 0 53 -4,-1.5 4,-1.0 -5,-0.3 -1,-0.2 0.888 114.6 47.5 -59.9 -42.4 15.2 18.9 56.8 195 453 A E H >X S+ 0 0 104 -4,-2.2 3,-0.7 2,-0.2 4,-0.6 0.956 112.9 47.6 -62.1 -53.3 17.7 21.6 58.0 196 454 A M H >X S+ 0 0 27 -4,-2.6 4,-0.7 1,-0.2 3,-0.5 0.894 109.0 53.7 -56.4 -43.6 15.0 24.2 58.4 197 455 A L H 3X S+ 0 0 12 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.785 91.2 77.0 -63.8 -30.1 12.7 21.9 60.4 198 456 A M H S+ 0 0 28 -4,-0.7 5,-1.0 1,-0.2 3,-0.4 0.861 111.3 52.1 -64.7 -36.8 11.3 23.9 65.1 201 459 A R H ><5S+ 0 0 107 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.921 109.2 46.7 -68.8 -41.8 11.6 20.3 66.2 202 460 A V H 3<5S+ 0 0 108 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.613 114.8 46.1 -80.3 -3.0 14.1 20.9 69.0 203 461 A N T 3<5S- 0 0 107 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.220 111.0-134.4-113.7 19.1 12.0 23.9 70.5 204 462 A D T < 5 + 0 0 100 -3,-1.1 2,-0.2 1,-0.1 -3,-0.2 0.705 37.9 174.1 -9.8 102.9 9.1 21.8 70.1 205 463 A H < - 0 0 66 -5,-1.0 2,-0.8 1,-0.0 -1,-0.1 -0.448 47.9 -97.3 -88.0 155.8 6.2 23.3 68.7 206 464 A K - 0 0 186 -2,-0.2 2,-0.3 0, 0.0 -5,-0.0 -0.810 33.5-154.0 -98.3 113.7 3.6 20.7 68.1 207 465 A F - 0 0 20 -2,-0.8 5,-0.0 1,-0.1 -173,-0.0 -0.625 27.3-111.4 -81.9 136.0 3.4 19.3 64.6 208 466 A T > - 0 0 45 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.211 28.4-105.6 -64.8 162.0 -0.0 18.0 63.7 209 467 A P H > S+ 0 0 116 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.867 122.0 52.8 -57.4 -37.4 -0.5 14.2 63.2 210 468 A L H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.933 110.7 44.7 -68.3 -43.2 -0.6 14.7 59.4 211 469 A L H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 6,-0.3 0.906 111.8 53.6 -68.9 -35.0 2.7 16.7 59.3 212 470 A C H X>S+ 0 0 43 -4,-2.7 5,-0.7 1,-0.2 4,-0.7 0.915 113.5 43.8 -61.2 -41.5 4.4 14.1 61.6 213 471 A E H <5S+ 0 0 98 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.930 120.6 37.7 -72.3 -42.3 3.4 11.4 59.3 214 472 A I H <5S+ 0 0 12 -4,-2.5 -2,-0.2 1,-0.2 -144,-0.2 0.892 128.1 32.6 -78.7 -37.1 4.2 13.1 56.0 215 473 A W H <5S- 0 0 41 -4,-2.8 -1,-0.2 -5,-0.2 -3,-0.2 0.396 105.9-124.5 -97.0 -1.5 7.4 14.9 57.0 216 474 A D T <5 0 0 112 -4,-0.7 -3,-0.2 -5,-0.3 -4,-0.2 0.914 360.0 360.0 56.8 51.5 8.4 12.2 59.5 217 475 A V < 0 0 38 -5,-0.7 -1,-0.2 -6,-0.3 -2,-0.1 -0.722 360.0 360.0-120.9 360.0 8.7 14.3 62.6