==== 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 06-MAY-11 3RVF . COMPND 2 MOLECULE: BILE ACID RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.P.WILLIAMS,K.P.MADAUSS . 239 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 73.6 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 . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 0 1 0 1 1 1 0 1 0 0 1 0 0 0 0 0 0 1 0 0 1 1 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 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 L 0 0 128 0, 0.0 169,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 75.7 13.3 56.7 54.2 2 246 A T > - 0 0 82 1,-0.1 4,-4.5 4,-0.0 3,-0.2 -0.181 360.0-115.2 -66.9 159.7 10.9 59.5 54.8 3 247 A P H > S+ 0 0 108 0, 0.0 4,-0.8 0, 0.0 5,-0.3 0.792 118.0 61.0 -70.7 -28.5 9.4 60.1 58.3 4 248 A D H 4 S+ 0 0 135 2,-0.1 4,-0.5 1,-0.1 -2,-0.0 0.912 122.4 24.0 -51.8 -44.7 6.0 59.3 57.0 5 249 A Q H > S+ 0 0 15 -3,-0.2 4,-2.2 2,-0.2 5,-0.3 0.857 109.8 68.5 -93.1 -43.5 7.4 55.9 56.1 6 250 A Q H < S+ 0 0 51 -4,-4.5 4,-0.2 1,-0.3 -1,-0.1 0.658 112.9 34.5 -60.4 -20.1 10.4 55.3 58.5 7 251 A T T X S+ 0 0 97 -4,-0.8 4,-1.5 -5,-0.2 -1,-0.3 0.714 109.2 64.8 -99.4 -33.7 8.1 55.0 61.5 8 252 A L H > S+ 0 0 43 -4,-0.5 4,-1.7 -5,-0.3 3,-0.2 0.887 102.2 50.4 -55.0 -44.6 5.2 53.3 59.6 9 253 A L H X S+ 0 0 29 -4,-2.2 4,-3.5 1,-0.2 5,-0.3 0.842 105.4 56.8 -60.3 -37.9 7.5 50.3 59.0 10 254 A H H > S+ 0 0 136 -5,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.787 105.8 50.2 -68.6 -30.2 8.3 50.2 62.7 11 255 A F H X S+ 0 0 56 -4,-1.5 4,-1.8 -3,-0.2 -1,-0.2 0.904 114.8 45.4 -66.2 -43.7 4.6 49.9 63.5 12 256 A I H X S+ 0 0 4 -4,-1.7 4,-3.3 2,-0.2 -2,-0.2 0.898 114.5 44.1 -69.4 -47.3 4.5 47.0 60.9 13 257 A M H X S+ 0 0 22 -4,-3.5 4,-1.7 2,-0.2 -1,-0.2 0.723 110.3 59.5 -70.7 -23.0 7.6 45.2 62.2 14 258 A D H X S+ 0 0 60 -4,-0.8 4,-0.9 -5,-0.3 -2,-0.2 0.915 111.9 38.6 -63.2 -47.4 6.2 45.9 65.6 15 259 A S H >< S+ 0 0 14 -4,-1.8 3,-0.8 2,-0.2 -2,-0.2 0.936 116.3 50.3 -67.5 -48.5 3.1 43.9 64.6 16 260 A Y H 3< S+ 0 0 21 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.829 109.9 53.0 -63.5 -33.9 5.1 41.3 62.6 17 261 A N H 3< S+ 0 0 105 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.727 76.6 113.1 -72.6 -26.1 7.3 40.8 65.6 18 262 A K S << S- 0 0 48 -4,-0.9 2,-2.3 -3,-0.8 3,-0.3 -0.331 73.7-128.9 -55.0 121.5 4.6 40.1 68.1 19 263 A Q + 0 0 100 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 -0.473 48.9 154.8 -78.8 74.2 5.1 36.5 69.1 20 264 A R + 0 0 35 -2,-2.3 -1,-0.2 2,-0.1 -3,-0.0 0.928 42.8 87.5 -67.6 -48.1 1.5 35.4 68.5 21 265 A M S S- 0 0 52 -3,-0.3 2,-0.3 1,-0.1 25,-0.0 -0.344 82.9-122.7 -63.8 127.6 2.1 31.7 67.8 22 266 A P > - 0 0 54 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.543 6.9-147.0 -73.7 130.5 2.1 29.7 71.0 23 267 A Q H > S+ 0 0 132 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.875 99.1 62.9 -61.1 -38.5 5.3 27.7 71.6 24 268 A E H 4 S+ 0 0 77 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.852 109.2 41.0 -58.4 -37.7 3.2 25.1 73.3 25 269 A I H >4 S+ 0 0 31 -3,-0.5 3,-1.0 2,-0.2 -1,-0.2 0.915 113.9 48.1 -73.8 -52.2 1.4 24.4 70.0 26 270 A T H >< S+ 0 0 7 -4,-2.1 3,-2.6 1,-0.2 4,-0.4 0.857 98.9 71.1 -60.6 -36.1 4.3 24.6 67.6 27 271 A N T >X S+ 0 0 55 -4,-2.6 3,-2.0 1,-0.3 4,-2.0 0.798 82.2 72.4 -49.9 -35.7 6.3 22.3 69.8 28 272 A K H <> S+ 0 0 60 -3,-1.0 4,-1.2 -4,-0.4 -1,-0.3 0.693 82.7 70.1 -53.6 -23.2 4.0 19.4 68.7 29 273 A I H <4 S+ 0 0 6 -3,-2.6 -1,-0.3 -4,-0.2 -2,-0.2 0.849 112.0 30.5 -62.3 -32.2 5.7 19.6 65.3 30 274 A L H <4 S+ 0 0 97 -3,-2.0 -2,-0.2 -4,-0.4 -1,-0.1 0.887 122.8 43.2 -91.0 -48.3 8.7 18.1 67.0 31 275 A K H < S+ 0 0 157 -4,-2.0 -3,-0.2 2,-0.0 -2,-0.1 0.769 92.4 82.8 -83.7 -32.1 7.4 16.0 69.9 32 276 A E S < S- 0 0 62 -4,-1.2 7,-0.0 -5,-0.2 6,-0.0 -0.172 88.3 -84.1 -71.7 167.9 4.4 14.0 68.5 33 277 A E - 0 0 68 1,-0.1 2,-0.6 5,-0.0 -1,-0.1 -0.191 39.9-119.7 -64.1 160.7 4.6 10.8 66.5 34 278 A F + 0 0 93 4,-0.1 2,-0.3 5,-0.0 -1,-0.1 -0.917 55.2 125.0-110.9 108.4 5.3 10.8 62.8 35 279 A S S > S- 0 0 50 -2,-0.6 4,-3.0 1,-0.1 5,-0.3 -0.979 70.4-103.1-150.6 162.2 2.5 9.3 60.6 36 280 A A H > S+ 0 0 47 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.940 122.5 43.5 -49.2 -50.5 0.3 10.2 57.7 37 281 A E H > S+ 0 0 62 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.964 117.5 41.6 -61.7 -56.6 -2.6 10.7 60.2 38 282 A E H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.868 110.3 58.2 -64.3 -38.7 -0.8 12.6 62.9 39 283 A N H X S+ 0 0 3 -4,-3.0 4,-2.2 71,-0.2 -1,-0.2 0.922 108.0 47.1 -53.8 -48.4 1.1 14.8 60.5 40 284 A F H X S+ 0 0 5 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.827 110.9 50.4 -66.5 -37.0 -2.2 16.0 59.0 41 285 A L H X S+ 0 0 100 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.824 111.4 50.3 -68.0 -35.6 -3.8 16.7 62.5 42 286 A I H X S+ 0 0 2 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.914 109.9 48.7 -67.0 -46.2 -0.7 18.6 63.5 43 287 A L H X S+ 0 0 32 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.824 107.8 54.3 -67.9 -34.8 -0.6 20.8 60.3 44 288 A T H X S+ 0 0 13 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.885 107.8 51.8 -63.7 -40.2 -4.3 21.7 60.6 45 289 A E H X S+ 0 0 52 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.893 111.6 45.0 -64.4 -43.5 -3.7 22.9 64.2 46 290 A M H X S+ 0 0 20 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.938 115.3 48.2 -64.1 -48.1 -0.8 25.1 63.1 47 291 A A H X S+ 0 0 22 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.871 111.9 47.8 -63.3 -41.1 -2.7 26.5 60.2 48 292 A T H X S+ 0 0 16 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.866 114.6 47.0 -69.6 -37.2 -5.9 27.2 62.1 49 293 A N H X S+ 0 0 29 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.866 111.3 52.3 -67.9 -39.0 -3.9 28.9 64.8 50 294 A H H X S+ 0 0 21 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.890 102.4 58.0 -64.4 -38.9 -2.0 30.8 62.1 51 295 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.879 107.2 49.3 -58.7 -37.4 -5.3 32.0 60.6 52 296 A Q H X S+ 0 0 76 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.892 110.8 49.7 -65.1 -41.8 -6.0 33.5 64.0 53 297 A V H X S+ 0 0 25 -4,-1.7 4,-3.3 2,-0.2 -2,-0.2 0.854 110.1 50.2 -67.3 -38.7 -2.6 35.2 64.1 54 298 A L H X S+ 0 0 15 -4,-2.8 4,-4.3 2,-0.2 5,-0.2 0.929 109.4 50.3 -65.7 -46.5 -3.1 36.6 60.6 55 299 A V H X S+ 0 0 4 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.846 114.5 46.1 -61.1 -35.2 -6.5 38.0 61.5 56 300 A E H X S+ 0 0 94 -4,-1.7 4,-1.5 2,-0.2 3,-0.5 0.979 117.2 42.5 -66.8 -58.3 -4.8 39.6 64.5 57 301 A F H X S+ 0 0 12 -4,-3.3 4,-0.5 1,-0.2 -2,-0.2 0.875 111.2 56.2 -54.2 -44.0 -1.9 40.9 62.5 58 302 A T H >< S+ 0 0 2 -4,-4.3 3,-0.9 1,-0.2 -1,-0.2 0.865 104.2 53.9 -59.6 -38.9 -4.1 42.0 59.7 59 303 A K H 3< S+ 0 0 24 -4,-1.3 6,-0.4 -3,-0.5 5,-0.3 0.932 103.5 55.6 -59.3 -45.6 -6.1 44.2 62.1 60 304 A K H 3< S+ 0 0 109 -4,-1.5 -1,-0.2 4,-0.1 -2,-0.2 0.515 84.3 107.8 -72.4 -8.6 -3.0 45.9 63.3 61 305 A L S X< S- 0 0 7 -3,-0.9 3,-1.3 -4,-0.5 4,-0.4 -0.382 86.6 -87.0 -66.4 153.3 -2.1 47.0 59.8 62 306 A P T 3 S- 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.450 103.0 -3.7 -78.1 131.4 -2.6 50.7 59.1 63 307 A G T 3 S+ 0 0 30 -2,-0.2 100,-0.1 -3,-0.1 -3,-0.1 0.600 94.8 119.4 69.3 13.3 -6.0 51.9 58.0 64 308 A F S X S+ 0 0 2 -3,-1.3 3,-1.7 -5,-0.3 -4,-0.1 0.918 70.7 53.1 -69.5 -45.1 -7.3 48.3 57.9 65 309 A Q T 3 S+ 0 0 150 -4,-0.4 -1,-0.2 -6,-0.4 7,-0.1 0.720 98.6 63.6 -66.6 -22.8 -10.0 49.0 60.5 66 310 A T T 3 S+ 0 0 118 2,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.387 87.6 111.2 -79.7 1.2 -11.4 51.9 58.5 67 311 A L S < S- 0 0 11 -3,-1.7 2,-0.2 1,-0.1 -3,-0.1 -0.315 84.3 -85.3 -77.4 160.8 -12.2 49.4 55.8 68 312 A D > - 0 0 91 1,-0.1 4,-2.6 88,-0.1 5,-0.1 -0.450 36.2-134.0 -63.3 134.1 -15.7 48.3 54.6 69 313 A H H > S+ 0 0 132 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.888 105.9 42.2 -62.9 -43.7 -16.8 45.4 56.9 70 314 A E H > S+ 0 0 73 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.876 114.6 53.3 -68.1 -38.5 -18.0 43.2 54.0 71 315 A D H >> S+ 0 0 11 1,-0.2 4,-1.2 2,-0.2 3,-0.7 0.902 99.4 62.8 -59.9 -44.5 -14.9 44.1 52.0 72 316 A Q H 3X S+ 0 0 11 -4,-2.6 4,-1.3 1,-0.3 -1,-0.2 0.802 99.4 53.9 -56.9 -37.1 -12.6 43.1 54.9 73 317 A I H 3X S+ 0 0 37 -4,-0.8 4,-2.4 -3,-0.4 -1,-0.3 0.857 101.4 57.9 -65.8 -39.6 -13.7 39.5 54.7 74 318 A A H S+ 0 0 7 -4,-0.4 4,-3.0 -3,-0.2 5,-0.2 0.929 115.4 50.9 -63.6 -50.2 -3.3 30.8 51.8 82 326 A E H > S+ 0 0 0 -4,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.922 112.1 48.4 -55.3 -45.2 -0.8 33.1 50.2 83 327 A A H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.898 112.5 48.9 -59.7 -42.2 -0.1 34.7 53.6 84 328 A M H X S+ 0 0 23 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.883 109.3 52.0 -67.3 -40.0 0.3 31.2 55.1 85 329 A F H X S+ 0 0 17 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.797 105.6 57.1 -64.2 -33.1 2.6 30.1 52.4 86 330 A L H X S+ 0 0 5 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.932 110.9 40.0 -64.7 -48.8 4.8 33.2 53.0 87 331 A R H X S+ 0 0 87 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.879 115.5 51.4 -69.2 -39.1 5.4 32.4 56.7 88 332 A S H X S+ 0 0 23 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.870 114.6 44.2 -63.5 -41.3 5.8 28.6 56.0 89 333 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 5,-0.3 0.851 109.0 57.7 -67.6 -38.5 8.3 29.5 53.3 90 334 A E H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.873 104.1 54.0 -60.1 -38.1 9.9 32.1 55.7 91 335 A I H X>S+ 0 0 22 -4,-2.1 4,-1.6 2,-0.2 5,-0.9 0.914 108.9 44.9 -59.3 -50.8 10.5 29.3 58.2 92 336 A F H <5S+ 0 0 28 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.850 119.2 41.5 -65.9 -42.0 12.4 26.9 55.8 93 337 A N H <5S+ 0 0 49 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.848 125.9 34.1 -72.4 -41.6 14.6 29.7 54.4 94 338 A K H <5S- 0 0 78 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.502 97.6-136.4 -96.0 -7.6 15.2 31.4 57.7 95 339 A K T <5 - 0 0 135 -4,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.911 26.4-161.2 51.9 48.7 15.2 28.2 59.8 96 340 A L >>X - 0 0 34 -5,-0.9 4,-0.9 -6,-0.2 3,-0.7 -0.377 17.7-132.2 -61.5 137.8 13.1 29.8 62.5 97 341 A P G >45S+ 0 0 112 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.870 108.4 50.2 -61.3 -43.1 13.4 27.9 65.8 98 342 A S G 345S+ 0 0 60 1,-0.2 -2,-0.1 2,-0.1 -7,-0.0 0.575 103.6 68.7 -70.3 -12.4 9.6 27.8 66.4 99 343 A G G <45S- 0 0 2 -3,-0.7 -1,-0.2 -8,-0.1 5,-0.2 0.869 77.9-161.2 -71.3 -42.7 9.5 26.5 62.9 100 344 A H T < + 0 0 9 -5,-0.5 4,-3.2 1,-0.2 5,-0.2 0.829 69.9 48.1 -53.7 -48.3 11.7 23.3 59.7 102 346 A D H > S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.954 120.3 38.6 -59.1 -50.7 13.2 19.9 59.1 103 347 A L H > S+ 0 0 48 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.867 115.0 53.2 -69.5 -38.2 10.5 18.2 61.1 104 348 A L H X S+ 0 0 14 -4,-4.1 4,-2.5 1,-0.2 -2,-0.2 0.920 108.3 52.5 -58.6 -43.3 7.8 20.5 59.7 105 349 A E H X S+ 0 0 60 -4,-3.2 4,-2.4 -5,-0.3 -2,-0.2 0.895 106.8 52.5 -57.6 -43.9 9.1 19.5 56.2 106 350 A E H X S+ 0 0 112 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.889 109.6 49.0 -59.1 -44.1 8.7 15.8 57.1 107 351 A R H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.973 112.3 47.1 -59.4 -54.8 5.1 16.3 58.2 108 352 A I H >< S+ 0 0 15 -4,-2.5 3,-0.9 1,-0.3 5,-0.3 0.862 108.8 55.0 -58.1 -40.7 4.2 18.2 55.1 109 353 A R H 3< S+ 0 0 118 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.619 116.8 38.0 -72.2 -15.9 5.9 15.6 52.9 110 354 A N T << S+ 0 0 82 -3,-1.5 -1,-0.3 -4,-0.8 -71,-0.2 -0.456 82.0 105.9-130.3 62.1 3.8 12.9 54.5 111 355 A S S < S- 0 0 1 -3,-0.9 3,-0.1 -72,-0.1 -2,-0.1 0.124 103.4 -92.0-116.4 14.5 0.4 14.6 55.0 112 356 A G S S+ 0 0 44 1,-0.3 2,-0.4 -3,-0.1 -3,-0.1 0.823 80.8 148.1 70.5 33.8 -1.4 12.7 52.2 113 357 A I - 0 0 24 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.860 48.5-112.6-102.2 135.6 -0.4 15.5 49.8 114 358 A S > - 0 0 46 -2,-0.4 4,-2.2 1,-0.1 5,-0.1 -0.171 15.0-123.4 -65.6 157.2 0.2 14.6 46.1 115 359 A D H > S+ 0 0 113 2,-0.2 4,-2.8 1,-0.2 -1,-0.1 0.846 108.7 64.9 -66.3 -36.2 3.6 14.9 44.5 116 360 A E H 4 S+ 0 0 138 1,-0.2 -1,-0.2 2,-0.2 86,-0.0 0.927 114.4 32.7 -55.1 -46.3 2.2 17.2 41.8 117 361 A Y H > S+ 0 0 43 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.828 116.2 57.2 -76.4 -36.5 1.6 19.7 44.5 118 362 A I H X S+ 0 0 7 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.862 102.2 54.8 -65.7 -39.9 4.5 18.8 46.7 119 363 A T H X S+ 0 0 91 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.951 112.8 38.9 -60.7 -54.4 7.2 19.3 44.1 120 364 A P H > S+ 0 0 37 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.855 111.6 57.1 -64.7 -41.5 6.3 22.9 43.2 121 365 A M H X S+ 0 0 7 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.891 111.4 44.2 -59.9 -41.9 5.6 24.0 46.7 122 366 A F H X S+ 0 0 21 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.762 109.0 55.9 -76.9 -25.8 9.0 23.0 47.7 123 367 A S H X S+ 0 0 77 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.909 106.6 52.3 -63.1 -44.6 10.6 24.6 44.6 124 368 A F H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.918 106.6 52.6 -59.3 -45.0 9.0 27.8 45.7 125 369 A Y H X S+ 0 0 13 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.894 111.8 46.6 -57.6 -41.9 10.5 27.5 49.1 126 370 A K H X S+ 0 0 55 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.950 115.5 43.1 -66.7 -52.7 14.0 27.0 47.7 127 371 A S H < S+ 0 0 29 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.864 112.9 50.5 -63.8 -44.4 13.9 29.9 45.2 128 372 A I H ><>S+ 0 0 2 -4,-2.7 3,-0.8 -5,-0.2 5,-0.5 0.883 110.4 52.8 -63.6 -35.5 12.3 32.4 47.5 129 373 A G H ><5S+ 0 0 20 -4,-1.4 3,-2.6 -5,-0.3 -2,-0.2 0.879 98.8 60.3 -65.5 -39.6 15.0 31.5 50.0 130 374 A E T 3<5S+ 0 0 175 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.580 91.2 73.1 -68.1 -10.7 17.9 32.1 47.6 131 375 A L T < 5S- 0 0 27 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.607 97.6-142.1 -72.0 -18.9 16.5 35.6 47.4 132 376 A K T < 5 - 0 0 78 -3,-2.6 -3,-0.1 1,-0.2 -2,-0.1 0.879 25.7-163.3 55.2 43.3 17.9 36.1 50.9 133 377 A M < - 0 0 7 -5,-0.5 -1,-0.2 -4,-0.1 2,-0.1 -0.265 10.3-128.7 -60.3 139.2 14.9 38.1 52.0 134 378 A T > - 0 0 58 1,-0.1 4,-2.1 4,-0.0 5,-0.1 -0.441 24.2-109.0 -84.5 163.9 15.2 40.3 55.1 135 379 A Q H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.865 122.3 58.4 -61.2 -35.0 12.7 40.2 57.9 136 380 A E H > S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.936 106.3 47.1 -55.1 -49.5 11.6 43.6 56.7 137 381 A E H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.920 110.1 52.5 -61.2 -46.4 10.8 42.2 53.3 138 382 A Y H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.950 112.2 43.0 -57.3 -56.5 8.8 39.3 54.6 139 383 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.836 114.5 52.8 -59.4 -34.0 6.5 41.3 56.8 140 384 A L H X S+ 0 0 1 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.924 109.4 46.0 -73.2 -45.8 6.1 43.9 54.1 141 385 A L H X S+ 0 0 5 -4,-2.7 4,-4.3 2,-0.2 5,-0.3 0.954 107.6 57.8 -57.2 -53.1 5.1 41.5 51.4 142 386 A T H X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.3 -1,-0.2 0.895 109.0 46.7 -45.6 -46.0 2.7 39.7 53.7 143 387 A A H X S+ 0 0 1 -4,-1.6 4,-1.6 2,-0.2 -1,-0.3 0.931 114.4 46.2 -60.3 -48.1 1.0 43.1 54.1 144 388 A I H < S+ 0 0 2 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.879 111.4 53.2 -60.4 -40.7 1.0 43.7 50.3 145 389 A V H >< S+ 0 0 0 -4,-4.3 3,-0.7 1,-0.2 -1,-0.2 0.881 107.2 51.3 -64.6 -39.9 -0.3 40.1 49.8 146 390 A I H 3< S+ 0 0 1 -4,-2.0 -67,-0.2 -5,-0.3 -1,-0.2 0.875 111.9 45.1 -64.7 -40.7 -3.2 40.7 52.2 147 391 A L T 3< S+ 0 0 7 -4,-1.6 -1,-0.2 -5,-0.1 17,-0.2 0.380 73.0 141.8 -90.7 4.6 -4.4 43.9 50.6 148 392 A S X - 0 0 8 -3,-0.7 3,-1.1 -4,-0.5 -70,-0.1 -0.283 39.5-156.2 -56.0 115.4 -4.2 42.9 46.9 149 393 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.677 82.4 77.9 -63.5 -24.3 -7.3 44.5 45.2 150 394 A D T 3 + 0 0 70 7,-0.1 4,-0.1 2,-0.0 -2,-0.1 0.715 69.0 122.2 -61.2 -18.5 -7.4 41.9 42.4 151 395 A R < - 0 0 18 -3,-1.1 3,-0.4 1,-0.1 -76,-0.1 -0.129 69.7 -97.6 -57.0 141.1 -9.0 39.5 44.8 152 396 A Q S S+ 0 0 122 1,-0.2 -74,-0.1 -78,-0.1 -1,-0.1 -0.021 94.8 23.2 -66.0 156.4 -12.4 38.2 43.8 153 397 A Y S S+ 0 0 202 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.830 89.3 132.0 59.5 38.5 -15.9 39.3 44.9 154 398 A I + 0 0 20 -3,-0.4 -1,-0.2 1,-0.1 3,-0.1 -0.863 34.1 177.9-118.1 156.5 -14.7 42.9 45.8 155 399 A K S S+ 0 0 89 -2,-0.3 2,-2.0 1,-0.1 3,-0.3 0.720 73.2 58.8-117.2 -54.3 -16.1 46.3 44.9 156 400 A D > + 0 0 79 1,-0.2 4,-1.2 2,-0.1 3,-0.4 -0.399 57.3 150.1 -85.1 64.6 -14.1 49.1 46.7 157 401 A R H > + 0 0 116 -2,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.848 68.0 58.5 -63.4 -36.2 -10.7 48.2 45.1 158 402 A E H > S+ 0 0 73 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.854 100.0 55.3 -62.8 -39.2 -9.6 51.8 45.2 159 403 A A H > S+ 0 0 35 -3,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.874 113.8 40.2 -65.5 -41.3 -10.0 52.1 49.0 160 404 A V H X S+ 0 0 0 -4,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.878 109.5 61.6 -68.6 -41.6 -7.7 49.1 49.7 161 405 A E H X S+ 0 0 36 -4,-2.2 4,-3.1 1,-0.3 -2,-0.2 0.873 102.8 50.1 -56.9 -40.1 -5.4 50.2 46.9 162 406 A K H < S+ 0 0 64 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.880 111.2 49.2 -64.6 -38.9 -4.7 53.4 48.8 163 407 A L H < S+ 0 0 26 -4,-1.0 4,-0.5 1,-0.2 -2,-0.2 0.875 118.2 41.0 -65.8 -39.5 -4.0 51.3 51.9 164 408 A Q H >X S+ 0 0 26 -4,-2.8 4,-1.6 -17,-0.2 3,-0.7 0.842 100.1 70.4 -74.5 -40.8 -1.7 49.1 49.8 165 409 A E H 3X S+ 0 0 45 -4,-3.1 4,-1.9 1,-0.3 5,-0.2 0.860 93.9 55.2 -56.4 -43.6 0.1 51.7 47.7 166 410 A P H 3> S+ 0 0 51 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.910 108.1 51.2 -51.7 -43.9 2.1 53.2 50.6 167 411 A L H <> S+ 0 0 2 -3,-0.7 4,-1.9 -4,-0.5 -2,-0.2 0.857 105.8 52.3 -64.7 -41.8 3.5 49.8 51.4 168 412 A L H X S+ 0 0 43 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.928 110.7 50.4 -61.6 -41.4 4.6 49.0 47.8 169 413 A D H X S+ 0 0 106 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.882 106.3 53.0 -63.2 -42.9 6.5 52.3 47.8 170 414 A V H X S+ 0 0 20 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.871 114.6 42.8 -63.5 -39.5 8.3 51.6 51.1 171 415 A L H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.4 0.890 108.9 57.8 -67.6 -43.2 9.5 48.3 49.8 172 416 A Q H X S+ 0 0 86 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.931 115.0 39.0 -56.3 -46.8 10.4 49.8 46.4 173 417 A K H X S+ 0 0 51 -4,-2.6 4,-3.2 2,-0.2 5,-0.4 0.963 115.2 51.9 -61.4 -56.0 12.6 52.1 48.3 174 418 A L H X S+ 0 0 26 -4,-2.6 4,-2.7 1,-0.2 5,-0.4 0.880 110.4 45.7 -58.3 -46.9 14.0 49.6 50.9 175 419 A C H X S+ 0 0 4 -4,-3.0 4,-1.6 3,-0.2 7,-0.2 0.936 119.2 40.4 -64.4 -46.8 15.1 46.9 48.4 176 420 A K H < S+ 0 0 35 -4,-1.3 -2,-0.2 -5,-0.4 -1,-0.2 0.935 122.0 40.9 -67.2 -47.7 16.8 49.3 46.0 177 421 A I H < S+ 0 0 75 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.922 124.4 37.3 -68.9 -45.9 18.4 51.5 48.7 178 422 A H H < S+ 0 0 134 -4,-2.7 -1,-0.2 -5,-0.4 -2,-0.2 0.793 132.1 34.9 -72.5 -27.8 19.3 48.6 51.0 179 423 A Q >< + 0 0 28 -4,-1.6 3,-0.7 -5,-0.4 6,-0.3 -0.567 60.2 144.9-130.5 67.3 20.1 46.7 47.8 180 424 A P T 3 + 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.600 63.3 87.6 -67.9 -14.1 21.6 49.0 45.2 181 425 A E T 3 S+ 0 0 103 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.1 0.909 108.8 7.9 -51.8 -43.8 23.7 46.0 44.3 182 426 A N < - 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0 0 53 -5,-1.1 2,-0.4 -4,-0.4 -1,-0.2 -0.905 29.3-162.6-113.1 151.4 -9.9 14.5 56.5 216 460 A K - 0 0 67 -2,-0.4 -172,-0.1 1,-0.0 2,-0.0 -1.000 1.7-156.5-140.6 138.4 -11.6 17.4 58.2 217 461 A F - 0 0 26 -2,-0.4 -172,-0.0 1,-0.2 -173,-0.0 0.038 34.9 -73.5 -97.2-159.6 -10.4 20.8 59.2 218 462 A T > - 0 0 41 -174,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.607 39.0-110.3 -97.3 163.0 -11.5 23.3 61.8 219 463 A P H > S+ 0 0 94 0, 0.0 4,-1.4 0, 0.0 14,-0.1 0.869 121.7 50.5 -55.5 -37.4 -14.7 25.5 61.7 220 464 A L H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.905 110.7 46.0 -66.1 -46.8 -12.4 28.4 61.2 221 465 A L H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 111.0 53.2 -64.3 -41.2 -10.4 26.9 58.3 222 466 A C H <>S+ 0 0 29 -4,-2.5 5,-3.2 1,-0.2 4,-0.4 0.849 110.3 49.4 -61.4 -38.8 -13.6 25.7 56.6 223 467 A E H ><5S+ 0 0 28 -4,-1.4 3,-0.6 -5,-0.2 -2,-0.2 0.932 113.5 42.2 -65.4 -52.4 -15.0 29.2 56.8 224 468 A I H 3<5S+ 0 0 4 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.868 122.4 39.6 -67.9 -36.9 -12.0 31.1 55.4 225 469 A W T 3<5S- 0 0 41 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.351 111.5-116.8 -95.8 5.1 -11.3 28.5 52.6 226 470 A D T < 5 + 0 0 101 -3,-0.6 2,-0.6 -4,-0.4 -3,-0.2 0.946 46.7 175.8 58.1 54.5 -15.0 27.9 51.8 227 471 A V < 0 0 26 -5,-3.2 -1,-0.2 1,-0.1 -2,-0.1 -0.831 360.0 360.0 -92.7 115.9 -15.2 24.3 52.8 228 472 A Q 0 0 124 -2,-0.6 -1,-0.1 -5,-0.0 -2,-0.0 0.703 360.0 360.0 -51.0 360.0 -18.7 22.7 52.6 229 !* 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 0.0 230 745 B D 0 0 143 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-163.3 -22.6 34.4 56.4 231 746 B H > + 0 0 52 1,-0.1 4,-1.6 2,-0.0 3,-0.3 -0.600 360.0 164.8-127.5 67.1 -19.0 34.2 57.6 232 747 B Q H > + 0 0 150 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.825 65.4 52.2 -60.7 -41.7 -19.8 34.4 61.3 233 748 B L H > S+ 0 0 56 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.878 107.9 49.0 -66.5 -42.4 -16.4 33.2 62.7 234 749 B L H > S+ 0 0 0 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.934 111.0 50.8 -64.2 -44.5 -14.2 35.6 60.9 235 750 B R H X S+ 0 0 39 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.895 109.6 50.2 -60.6 -42.7 -16.3 38.6 61.9 236 751 B Y H X S+ 0 0 158 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.882 107.4 55.7 -61.8 -39.7 -16.2 37.6 65.5 237 752 B L H < S+ 0 0 40 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.893 108.7 46.6 -61.4 -42.2 -12.5 37.3 65.3 238 753 B L H < S+ 0 0 35 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.949 116.9 41.5 -65.7 -50.7 -12.1 40.9 64.0 239 754 B D H < 0 0 128 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.861 360.0 360.0 -68.1 -36.6 -14.4 42.4 66.6 240 755 B K < 0 0 90 -4,-2.9 -3,-0.1 -5,-0.2 -2,-0.0 0.626 360.0 360.0 -63.4 360.0 -13.0 40.2 69.4