==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/INHIBITOR 13-OCT-10 3P88 . COMPND 2 MOLECULE: FARNESOID X RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.P.MADAUSS,S.P.WILLIAMS,D.N.DEATON . 240 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12137.0 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 . 28 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 1 2 0 0 0 1 0 0 0 2 0 0 0 0 1 0 0 1 0 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 1 244 A E 0 0 115 0, 0.0 2,-0.9 0, 0.0 174,-0.1 0.000 360.0 360.0 360.0 71.6 61.1 23.9 147.1 2 245 A L - 0 0 73 172,-0.1 169,-0.0 4,-0.1 5,-0.0 -0.591 360.0-148.4 -73.0 103.9 62.5 26.0 144.2 3 246 A T >> - 0 0 61 -2,-0.9 4,-3.1 1,-0.1 3,-0.6 -0.319 21.0-117.5 -69.1 153.8 59.6 28.2 143.2 4 247 A P H 3> S+ 0 0 110 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.855 116.4 61.7 -61.0 -34.6 59.3 29.3 139.6 5 248 A D H 3> S+ 0 0 131 1,-0.2 4,-0.8 2,-0.2 -3,-0.0 0.853 114.9 34.3 -54.6 -37.9 59.7 33.0 140.7 6 249 A Q H <> S+ 0 0 38 -3,-0.6 4,-2.6 2,-0.2 5,-0.3 0.808 108.7 63.8 -88.3 -36.6 63.1 31.9 142.0 7 250 A Q H X S+ 0 0 42 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.830 108.8 44.7 -55.6 -32.9 63.9 29.4 139.3 8 251 A T H X S+ 0 0 92 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.853 110.7 53.1 -77.8 -38.6 63.9 32.4 136.9 9 252 A L H X S+ 0 0 42 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.950 111.3 45.0 -62.2 -53.0 65.9 34.7 139.2 10 253 A L H X S+ 0 0 14 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.890 111.2 54.2 -56.2 -44.2 68.8 32.2 139.6 11 254 A H H X S+ 0 0 116 -4,-1.1 4,-1.8 -5,-0.3 5,-0.2 0.883 105.7 52.7 -61.6 -40.8 68.7 31.5 135.9 12 255 A F H X S+ 0 0 45 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.924 113.8 44.5 -56.5 -45.5 69.1 35.2 135.2 13 256 A I H X S+ 0 0 2 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.933 111.9 49.4 -66.5 -49.7 72.1 35.2 137.5 14 257 A M H < S+ 0 0 23 -4,-3.1 4,-0.3 2,-0.2 -1,-0.2 0.784 111.2 50.3 -66.2 -28.8 73.8 32.1 136.2 15 258 A D H >X S+ 0 0 79 -4,-1.8 3,-1.1 -5,-0.2 4,-1.0 0.906 112.5 46.5 -72.6 -43.8 73.5 33.2 132.6 16 259 A S H 3X S+ 0 0 23 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.853 104.4 63.3 -61.1 -35.6 75.1 36.6 133.5 17 260 A Y H 3< S+ 0 0 18 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.617 116.7 29.2 -67.9 -14.9 77.7 34.6 135.5 18 261 A N H <4 S+ 0 0 78 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.410 114.6 66.8-113.1 -6.2 78.8 33.1 132.1 19 262 A K H < S+ 0 0 70 -4,-1.0 2,-1.0 -3,-0.2 -3,-0.2 0.930 86.9 62.6 -84.3 -52.3 77.7 36.2 130.0 20 263 A Q S < S- 0 0 19 -4,-1.8 2,-0.4 34,-0.1 -1,-0.2 -0.703 86.6-164.4 -77.1 103.8 80.2 38.9 131.1 21 264 A R - 0 0 205 -2,-1.0 -3,-0.1 -3,-0.0 -2,-0.0 -0.774 27.5-135.3-113.0 137.1 83.4 37.2 129.9 22 265 A M - 0 0 55 -2,-0.4 29,-0.1 1,-0.1 25,-0.0 -0.697 42.3-111.7 -76.4 124.6 87.1 37.5 130.5 23 266 A P > - 0 0 60 0, 0.0 4,-1.7 0, 0.0 5,-0.1 -0.239 12.1-139.3 -60.1 148.4 88.9 37.3 127.2 24 267 A Q H > S+ 0 0 139 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.914 100.5 60.3 -73.3 -44.9 91.1 34.2 126.5 25 268 A E H 4 S+ 0 0 167 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.819 109.7 44.2 -51.6 -35.7 93.9 36.2 124.8 26 269 A I H >4 S+ 0 0 26 2,-0.2 3,-1.7 1,-0.2 -1,-0.2 0.957 114.6 44.9 -75.6 -54.2 94.3 38.2 128.0 27 270 A T H >< S+ 0 0 11 -4,-1.7 3,-1.8 1,-0.3 4,-0.5 0.715 98.9 73.2 -66.3 -22.1 94.2 35.3 130.6 28 271 A N T >X S+ 0 0 53 -4,-2.6 4,-3.0 1,-0.3 3,-0.9 0.762 81.5 73.7 -58.0 -26.1 96.5 33.3 128.3 29 272 A K H <> S+ 0 0 58 -3,-1.7 4,-0.8 -4,-0.3 -1,-0.3 0.571 82.3 68.1 -67.8 -10.5 99.2 35.7 129.5 30 273 A I H <4 S+ 0 0 3 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.882 115.6 26.5 -69.9 -40.1 99.2 33.9 132.9 31 274 A L H <4 S+ 0 0 98 -3,-0.9 -2,-0.2 -4,-0.5 -3,-0.1 0.897 123.1 51.9 -82.2 -49.1 100.7 30.9 131.1 32 275 A K H < S+ 0 0 153 -4,-3.0 -3,-0.2 2,-0.0 -2,-0.1 0.877 92.0 75.3 -63.1 -50.6 102.5 32.6 128.2 33 276 A E S < S- 0 0 63 -4,-0.8 7,-0.0 1,-0.1 6,-0.0 -0.006 87.4 -85.4 -73.3 169.6 104.7 35.3 129.8 34 277 A E - 0 0 122 1,-0.1 2,-0.8 5,-0.0 -1,-0.1 -0.239 37.0-119.7 -69.2 161.5 107.9 35.0 131.7 35 278 A F + 0 0 95 4,-0.1 2,-0.3 5,-0.0 -1,-0.1 -0.789 58.1 128.3-112.3 87.0 108.0 34.3 135.5 36 279 A S > - 0 0 31 -2,-0.8 4,-3.7 1,-0.1 5,-0.3 -0.940 69.1-110.8-132.7 157.1 109.7 37.1 137.3 37 280 A A H > S+ 0 0 46 -2,-0.3 4,-1.2 1,-0.2 5,-0.1 0.849 120.9 47.9 -56.9 -35.8 108.6 39.2 140.3 38 281 A E H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.1 -1,-0.2 0.958 117.2 39.9 -66.6 -52.3 108.3 42.2 137.9 39 282 A E H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.897 109.7 59.1 -68.3 -43.2 106.3 40.3 135.2 40 283 A N H X S+ 0 0 2 -4,-3.7 4,-2.5 71,-0.2 -1,-0.2 0.901 110.0 45.0 -50.0 -45.0 104.2 38.4 137.7 41 284 A F H X S+ 0 0 4 -4,-1.2 4,-2.6 -5,-0.3 5,-0.2 0.936 109.9 52.2 -67.4 -50.8 102.9 41.7 139.1 42 285 A E H X S+ 0 0 89 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.898 113.9 46.4 -50.7 -43.4 102.3 43.4 135.7 43 286 A I H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.966 110.1 50.4 -66.3 -54.6 100.2 40.3 134.8 44 287 A L H X S+ 0 0 34 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.848 111.2 50.7 -53.6 -38.3 98.2 40.1 138.0 45 288 A T H X S+ 0 0 17 -4,-2.6 4,-2.2 2,-0.2 -1,-0.3 0.905 109.1 51.0 -64.9 -42.7 97.4 43.8 137.6 46 289 A E H X S+ 0 0 58 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.918 110.6 49.0 -60.8 -45.2 96.2 43.2 134.0 47 290 A M H X S+ 0 0 21 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.926 110.8 51.3 -57.8 -47.9 94.0 40.4 135.2 48 291 A A H X S+ 0 0 18 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.938 109.6 46.6 -58.1 -56.1 92.5 42.5 138.0 49 292 A T H X S+ 0 0 19 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.908 113.3 49.7 -53.8 -48.4 91.5 45.6 135.9 50 293 A N H X S+ 0 0 27 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.887 112.9 48.1 -58.4 -39.4 90.0 43.3 133.2 51 294 A H H X S+ 0 0 21 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.851 102.9 60.7 -70.4 -35.2 88.1 41.6 136.0 52 295 A V H X S+ 0 0 4 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.845 107.6 46.8 -60.9 -33.4 86.9 44.9 137.5 53 296 A Q H X S+ 0 0 79 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.902 110.1 51.8 -70.8 -43.6 85.2 45.6 134.2 54 297 A V H X S+ 0 0 25 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.847 110.4 49.5 -61.6 -36.2 83.7 42.1 134.1 55 298 A L H X S+ 0 0 20 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.822 109.5 51.0 -72.4 -33.4 82.3 42.6 137.6 56 299 A V H X S+ 0 0 5 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.854 111.3 47.9 -72.0 -36.2 80.8 46.0 136.7 57 300 A E H X S+ 0 0 123 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.843 116.3 45.1 -68.5 -35.1 79.1 44.4 133.6 58 301 A F H < S+ 0 0 11 -4,-1.6 4,-0.3 -5,-0.2 3,-0.2 0.924 112.0 49.9 -71.7 -48.2 77.9 41.6 136.0 59 302 A T H >< S+ 0 0 2 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.866 107.9 54.9 -61.1 -37.7 76.8 43.9 138.7 60 303 A K H 3< S+ 0 0 22 -4,-1.8 6,-0.4 1,-0.2 5,-0.3 0.889 106.8 51.5 -59.5 -40.0 74.9 46.0 136.2 61 304 A K T 3< S+ 0 0 75 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.403 83.3 112.7 -83.2 1.0 73.0 42.9 135.1 62 305 A L S X S- 0 0 8 -3,-1.1 3,-1.5 -4,-0.3 4,-0.4 -0.577 83.3 -96.7 -70.8 136.2 72.0 42.0 138.7 63 306 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.332 104.7 6.6 -57.2 127.6 68.2 42.3 139.2 64 307 A G T 3 S+ 0 0 31 -4,-0.1 -3,-0.1 -2,-0.1 100,-0.0 0.714 96.0 112.7 74.4 23.8 67.2 45.6 140.7 65 308 A F S X S+ 0 0 2 -3,-1.5 3,-1.6 -5,-0.3 -4,-0.1 0.882 72.8 49.3 -90.2 -47.0 70.7 47.2 140.6 66 309 A Q T 3 S+ 0 0 142 -4,-0.4 -1,-0.1 -6,-0.4 7,-0.1 0.736 102.2 65.0 -66.5 -24.1 70.1 49.9 138.0 67 310 A T T 3 S+ 0 0 121 2,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.601 88.0 97.6 -71.7 -12.1 67.0 51.1 139.9 68 311 A L S < S- 0 0 22 -3,-1.6 2,-0.1 1,-0.1 -3,-0.1 -0.196 91.4 -77.2 -74.3 167.9 69.3 52.0 142.9 69 312 A D > - 0 0 89 1,-0.1 4,-2.1 88,-0.1 -1,-0.1 -0.437 35.0-132.0 -65.9 135.8 70.7 55.5 143.7 70 313 A H H > S+ 0 0 124 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.813 105.9 52.1 -59.7 -34.0 73.6 56.5 141.5 71 314 A E H >> S+ 0 0 71 1,-0.2 4,-1.1 2,-0.2 3,-0.6 0.909 111.2 44.9 -69.9 -45.2 75.7 57.6 144.5 72 315 A D H 3> S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.837 99.7 71.1 -67.8 -34.6 75.3 54.3 146.4 73 316 A Q H 3X S+ 0 0 12 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.809 101.2 46.0 -52.3 -34.1 76.0 52.3 143.2 74 317 A I H S+ 0 0 6 -4,-0.4 4,-2.9 1,-0.2 5,-0.2 0.896 118.2 54.3 -61.8 -43.1 88.3 43.1 146.4 83 326 A E H > S+ 0 0 2 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.891 109.1 46.8 -62.3 -43.0 85.9 40.6 148.0 84 327 A A H X S+ 0 0 2 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.888 114.1 49.2 -64.3 -40.3 84.3 39.7 144.6 85 328 A M H X S+ 0 0 24 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.901 110.4 50.1 -64.0 -42.9 87.8 39.3 143.1 86 329 A F H X S+ 0 0 14 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.834 110.7 51.1 -62.5 -34.4 88.9 37.1 146.0 87 330 A L H X S+ 0 0 0 -4,-1.7 4,-1.3 -5,-0.2 -2,-0.2 0.873 111.5 45.9 -73.5 -38.6 85.8 35.0 145.5 88 331 A R H X S+ 0 0 72 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.886 112.0 50.2 -72.5 -41.4 86.4 34.5 141.8 89 332 A S H X S+ 0 0 24 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.786 106.7 56.8 -66.3 -30.1 90.1 33.7 142.2 90 333 A A H X S+ 0 0 0 -4,-1.2 4,-2.6 -5,-0.2 5,-0.2 0.877 104.6 51.9 -66.0 -39.4 89.0 31.2 144.9 91 334 A E H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 6,-0.3 0.821 105.9 56.4 -64.8 -32.8 86.8 29.5 142.2 92 335 A I H X>S+ 0 0 15 -4,-1.3 5,-1.1 2,-0.2 4,-1.0 0.980 114.7 36.1 -59.6 -56.7 89.9 29.4 139.9 93 336 A F H <5S+ 0 0 30 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.890 121.3 45.5 -66.0 -44.3 92.0 27.5 142.4 94 337 A N H <5S+ 0 0 45 -4,-2.6 -3,-0.2 1,-0.2 -1,-0.2 0.947 124.8 28.8 -68.3 -53.2 89.2 25.3 143.8 95 338 A K H <5S- 0 0 78 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.438 101.4-129.4 -91.7 -0.2 87.5 24.2 140.6 96 339 A K T <5 - 0 0 68 -4,-1.0 -3,-0.2 -5,-0.2 -4,-0.2 0.946 26.9-157.7 53.5 59.8 90.7 24.4 138.5 97 340 A L >>< - 0 0 31 -5,-1.1 3,-1.7 -6,-0.3 4,-1.0 -0.543 11.3-138.9 -74.9 126.5 89.2 26.5 135.8 98 341 A P G >4 S+ 0 0 115 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.897 100.8 50.2 -56.7 -48.9 91.2 26.1 132.5 99 342 A S G 34 S+ 0 0 53 1,-0.2 -2,-0.1 2,-0.1 -7,-0.0 0.558 107.5 58.3 -66.7 -9.5 91.1 29.8 131.5 100 343 A G G <4 S- 0 0 6 -3,-1.7 -1,-0.2 -8,-0.1 5,-0.1 0.714 91.0-148.5 -90.1 -26.5 92.3 30.7 135.0 101 344 A H S+ 0 0 14 -5,-0.4 4,-2.7 -10,-0.2 5,-0.2 0.864 76.2 47.2 -48.6 -56.3 95.4 27.9 138.6 103 346 A D H > S+ 0 0 123 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.877 119.5 39.2 -59.8 -42.9 98.9 26.5 139.1 104 347 A L H > S+ 0 0 49 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.860 112.8 55.2 -78.1 -37.1 100.7 29.3 137.2 105 348 A L H X S+ 0 0 15 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.891 108.6 51.3 -56.3 -39.7 98.4 32.0 138.6 106 349 A E H X S+ 0 0 56 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.861 105.9 54.1 -65.8 -37.7 99.5 30.7 142.0 107 350 A E H < S+ 0 0 113 -4,-1.3 4,-0.4 2,-0.2 -1,-0.2 0.879 111.2 45.8 -62.6 -40.0 103.2 30.9 140.9 108 351 A R H >< S+ 0 0 0 -4,-1.9 3,-1.0 2,-0.2 -2,-0.2 0.926 113.1 48.1 -70.5 -46.4 102.7 34.6 140.0 109 352 A I H >< S+ 0 0 17 -4,-2.3 3,-0.6 1,-0.2 5,-0.4 0.930 109.9 53.3 -58.7 -46.2 100.8 35.5 143.2 110 353 A R T 3< S+ 0 0 128 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.578 116.2 40.5 -68.3 -11.0 103.5 33.7 145.3 111 354 A N T < S+ 0 0 79 -3,-1.0 -1,-0.3 -4,-0.4 -71,-0.2 -0.556 85.4 95.9-135.2 71.3 106.2 35.8 143.6 112 355 A S S < S- 0 0 3 -3,-0.6 3,-0.1 2,-0.2 -1,-0.1 0.053 105.4 -82.5-146.4 28.7 104.8 39.4 143.3 113 356 A G S S+ 0 0 48 1,-0.3 2,-0.2 -3,-0.1 -3,-0.1 0.395 82.7 142.6 85.2 -2.0 106.1 41.3 146.3 114 357 A I - 0 0 29 -5,-0.4 -1,-0.3 1,-0.1 -2,-0.2 -0.532 50.6-118.1 -78.1 135.5 103.3 40.1 148.6 115 358 A S >> - 0 0 49 -2,-0.2 4,-1.8 1,-0.1 3,-1.0 -0.294 14.3-121.0 -70.7 153.4 104.4 39.3 152.2 116 359 A D H 3> S+ 0 0 118 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.836 113.2 67.5 -59.0 -33.8 104.2 35.9 153.9 117 360 A E H 34 S+ 0 0 140 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.829 112.4 30.5 -55.4 -34.9 101.9 37.5 156.4 118 361 A Y H <> S+ 0 0 52 -3,-1.0 4,-1.0 2,-0.1 -1,-0.2 0.616 116.6 57.6-101.5 -17.8 99.3 38.0 153.6 119 362 A I H X S+ 0 0 9 -4,-1.8 4,-2.0 2,-0.1 5,-0.3 0.925 101.7 55.0 -75.6 -46.7 100.2 34.9 151.5 120 363 A T H X S+ 0 0 98 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.944 114.2 37.0 -54.6 -56.6 99.6 32.3 154.3 121 364 A P H > S+ 0 0 38 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.886 112.1 60.1 -66.4 -38.6 96.0 33.3 155.2 122 365 A M H X S+ 0 0 10 -4,-1.0 4,-1.3 1,-0.2 -2,-0.2 0.873 114.1 35.9 -52.7 -42.5 95.1 34.1 151.6 123 366 A F H X S+ 0 0 21 -4,-2.0 4,-2.4 -3,-0.3 -1,-0.2 0.787 110.7 59.9 -88.3 -30.2 95.9 30.5 150.6 124 367 A S H X S+ 0 0 79 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.899 107.6 49.9 -55.8 -42.2 94.6 29.0 153.8 125 368 A F H X S+ 0 0 4 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.930 108.3 51.2 -60.8 -48.6 91.3 30.6 152.8 126 369 A Y H X S+ 0 0 13 -4,-1.3 4,-1.8 1,-0.2 -2,-0.2 0.901 111.1 49.0 -57.1 -43.3 91.5 29.1 149.3 127 370 A K H X S+ 0 0 57 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.948 114.1 43.6 -60.9 -52.0 92.1 25.6 150.8 128 371 A S H X S+ 0 0 31 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.895 113.9 48.4 -66.0 -45.4 89.2 25.7 153.3 129 372 A I H >< S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 5,-0.4 0.854 108.2 58.0 -63.7 -34.1 86.7 27.2 150.9 130 373 A G H >< S+ 0 0 20 -4,-1.8 3,-2.6 -5,-0.3 4,-0.3 0.936 97.7 59.9 -55.7 -47.4 87.7 24.6 148.4 131 374 A E H 3< S+ 0 0 164 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.636 87.0 75.0 -62.9 -15.4 86.8 21.8 150.9 132 375 A L T << S- 0 0 20 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.588 98.1-137.3 -68.6 -10.3 83.2 23.1 150.9 133 376 A K < - 0 0 78 -3,-2.6 2,-0.1 -4,-0.1 -2,-0.1 0.955 32.7-163.8 52.0 57.2 82.9 21.5 147.4 134 377 A M - 0 0 9 -5,-0.4 2,-0.2 -4,-0.3 -1,-0.1 -0.436 9.9-135.2 -83.4 145.7 81.1 24.5 146.2 135 378 A T > - 0 0 66 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.505 27.9-106.2 -94.5 166.1 79.0 24.6 143.0 136 379 A Q H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.784 123.3 54.0 -62.9 -27.9 78.9 27.3 140.3 137 380 A E H > S+ 0 0 60 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.958 108.0 47.5 -65.2 -53.4 75.5 28.3 141.7 138 381 A E H > S+ 0 0 12 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.843 115.2 47.0 -58.9 -36.4 76.9 28.7 145.2 139 382 A Y H X S+ 0 0 2 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.942 115.1 44.7 -67.6 -49.8 79.8 30.7 143.8 140 383 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.838 113.6 50.3 -65.3 -34.5 77.6 32.9 141.6 141 384 A L H X S+ 0 0 1 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.881 107.8 51.3 -75.3 -39.4 75.1 33.5 144.4 142 385 A L H X S+ 0 0 2 -4,-1.6 4,-3.2 -5,-0.3 5,-0.2 0.885 107.4 55.8 -61.3 -39.7 77.7 34.5 147.0 143 386 A T H X S+ 0 0 4 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.966 107.9 45.9 -58.1 -55.3 79.0 37.0 144.5 144 387 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.879 115.4 50.2 -52.3 -39.6 75.7 38.7 144.0 145 388 A I H < S+ 0 0 0 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.908 109.2 48.0 -67.8 -45.2 75.3 38.7 147.9 146 389 A V H >< S+ 0 0 0 -4,-3.2 3,-1.0 1,-0.2 -2,-0.2 0.863 111.3 51.9 -66.2 -36.1 78.8 40.2 148.6 147 390 A I H 3< S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.883 112.4 45.2 -65.3 -39.2 78.2 43.0 146.1 148 391 A L T 3< S+ 0 0 7 -4,-1.5 -1,-0.2 -5,-0.2 17,-0.2 0.012 76.5 142.0 -99.0 27.2 74.8 43.9 147.6 149 392 A S X - 0 0 2 -3,-1.0 3,-0.6 1,-0.2 13,-0.1 -0.585 41.1-154.0 -72.2 116.9 75.9 43.9 151.3 150 393 A P T 3 S+ 0 0 20 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 0.821 82.3 72.8 -62.1 -32.7 74.1 46.8 153.0 151 394 A D T 3 + 0 0 94 7,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.088 67.7 129.2 -83.0 39.9 76.7 47.2 155.8 152 395 A R X - 0 0 9 -2,-1.0 3,-0.6 -3,-0.6 2,-0.1 -0.574 66.3 -96.5 -83.5 157.7 79.3 48.8 153.5 153 396 A Q T 3 S+ 0 0 139 1,-0.2 -1,-0.1 -2,-0.2 -74,-0.1 -0.384 102.3 23.2 -74.6 151.4 80.9 52.1 154.6 154 397 A Y T 3 S+ 0 0 194 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.850 87.0 139.7 60.7 40.2 79.6 55.4 153.2 155 398 A I < + 0 0 19 -3,-0.6 -1,-0.2 1,-0.1 3,-0.1 -0.859 29.7 179.6-109.6 149.3 76.1 54.1 152.4 156 399 A K S S+ 0 0 93 -2,-0.3 2,-1.0 1,-0.1 3,-0.2 0.762 75.6 46.5-111.9 -50.5 72.9 56.1 153.0 157 400 A D > + 0 0 84 1,-0.2 4,-0.7 2,-0.1 3,-0.3 -0.608 60.4 152.2-100.9 72.9 69.9 53.9 151.9 158 401 A R H > + 0 0 118 -2,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.721 67.1 64.1 -75.4 -23.3 70.8 50.5 153.4 159 402 A E H > S+ 0 0 76 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.849 100.7 51.8 -68.1 -35.4 67.2 49.4 153.6 160 403 A A H 4 S+ 0 0 30 -3,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.752 111.5 47.3 -71.1 -26.8 66.9 49.5 149.8 161 404 A V H >X S+ 0 0 2 -4,-0.7 4,-1.8 2,-0.2 3,-1.1 0.879 107.4 55.6 -78.5 -42.4 70.1 47.3 149.6 162 405 A E H 3X S+ 0 0 43 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.869 103.2 57.2 -54.1 -39.1 68.7 44.9 152.3 163 406 A K H 3< S+ 0 0 66 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.748 109.5 45.1 -64.3 -26.0 65.6 44.5 150.0 164 407 A L H <> S+ 0 0 33 -3,-1.1 4,-0.5 -4,-0.4 -2,-0.2 0.764 114.8 45.4 -88.9 -29.7 67.9 43.3 147.1 165 408 A Q H >X S+ 0 0 27 -4,-1.8 4,-2.3 -17,-0.2 3,-1.1 0.914 100.8 65.0 -80.8 -46.6 70.1 40.9 149.2 166 409 A E H 3X S+ 0 0 45 -4,-2.3 4,-2.4 1,-0.3 5,-0.2 0.879 97.6 57.1 -42.8 -52.3 67.3 39.1 151.1 167 410 A P H 3> S+ 0 0 52 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.846 111.2 42.8 -47.5 -43.4 65.9 37.7 147.8 168 411 A L H X S+ 0 0 22 -4,-1.9 4,-2.3 1,-0.2 3,-0.7 0.916 107.8 47.6 -57.3 -45.4 66.8 26.7 149.6 175 418 A L H 3X S+ 0 0 6 -4,-1.6 4,-2.2 1,-0.2 5,-0.4 0.791 106.5 57.5 -68.7 -29.2 69.7 25.3 147.5 176 419 A C H 3< S+ 0 0 2 -4,-1.8 -1,-0.2 1,-0.2 10,-0.2 0.662 113.5 40.1 -74.6 -18.3 71.6 24.3 150.7 177 420 A K H << S+ 0 0 133 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.767 117.2 49.0 -93.1 -35.7 68.5 22.2 151.8 178 421 A I H < S+ 0 0 66 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.965 126.7 22.4 -67.9 -55.9 67.8 20.8 148.3 179 422 A H S < S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.2 -3,-0.2 0.548 132.7 41.9 -93.8 -9.8 71.3 19.7 147.3 180 423 A Q + 0 0 70 -5,-0.4 6,-0.3 1,-0.1 -1,-0.2 -0.442 59.8 139.4-135.8 62.5 72.6 19.3 150.9 181 424 A P + 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.833 68.9 68.7 -71.6 -32.0 69.9 17.8 153.1 182 425 A E S S+ 0 0 98 1,-0.2 -2,-0.1 -3,-0.1 -5,-0.1 0.884 109.6 33.9 -51.0 -45.6 72.5 15.6 154.9 183 426 A N > - 0 0 55 -7,-0.2 3,-1.1 -3,-0.2 -1,-0.2 -0.923 60.5-176.3-119.0 106.9 73.9 18.8 156.5 184 427 A P T > S+ 0 0 105 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.627 81.5 71.9 -71.7 -12.8 71.5 21.6 157.4 185 428 A Q T 3> + 0 0 122 1,-0.2 4,-1.3 2,-0.1 3,-0.1 0.336 69.7 96.2 -81.9 6.9 74.5 23.8 158.5 186 429 A H H <> S+ 0 0 3 -3,-1.1 4,-1.7 -6,-0.3 -1,-0.2 0.864 78.2 53.7 -69.6 -38.2 75.6 24.3 154.9 187 430 A F H <> S+ 0 0 28 -3,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.837 108.5 52.3 -62.6 -33.0 73.9 27.7 154.5 188 431 A A H > S+ 0 0 53 -4,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.805 104.6 55.6 -71.4 -32.5 75.8 28.8 157.6 189 432 A E H X S+ 0 0 69 -4,-1.3 4,-0.9 2,-0.2 -2,-0.2 0.883 107.3 49.1 -67.3 -40.2 79.1 27.6 156.1 190 433 A L H >X S+ 0 0 0 -4,-1.7 4,-0.9 1,-0.2 3,-0.7 0.921 112.7 47.4 -63.1 -45.7 78.5 29.8 153.0 191 434 A L H 3X S+ 0 0 57 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.758 101.4 67.1 -67.1 -27.0 77.7 32.8 155.2 192 435 A G H 3X S+ 0 0 32 -4,-1.4 4,-1.4 1,-0.2 3,-0.3 0.842 97.3 53.8 -60.9 -34.7 80.8 32.1 157.3 193 436 A R H X S+ 0 0 3 -4,-3.8 4,-1.1 1,-0.2 3,-0.7 0.879 101.9 59.5 -56.0 -42.2 86.3 37.7 153.0 198 441 A R H >X S+ 0 0 73 -4,-1.1 4,-1.1 -5,-0.3 3,-0.8 0.896 99.0 56.5 -55.7 -43.9 85.9 40.9 155.1 199 442 A T H 3X S+ 0 0 79 -4,-1.3 4,-1.4 -3,-0.3 -1,-0.2 0.803 103.8 54.6 -61.0 -30.4 89.2 40.1 157.0 200 443 A F H < S+ 0 0 90 -4,-2.3 3,-2.4 1,-0.2 4,-0.2 0.954 106.3 49.7 -57.8 -54.4 103.2 51.5 146.3 213 456 A V H 3< S+ 0 0 118 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.703 111.4 52.5 -60.5 -20.2 106.2 52.2 148.5 214 457 A N T 3< S- 0 0 101 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.033 124.5-103.8-101.3 25.0 108.1 49.8 146.1 215 458 A D < + 0 0 145 -3,-2.4 2,-0.4 1,-0.2 -3,-0.2 0.977 61.0 157.5 53.3 80.6 107.0 51.7 143.0 216 459 A H - 0 0 44 -4,-0.2 -1,-0.2 -5,-0.1 2,-0.1 -0.835 30.3-148.1-135.8 95.8 104.2 49.6 141.4 217 460 A K - 0 0 69 -2,-0.4 2,-0.0 1,-0.1 -5,-0.0 -0.401 15.9-173.0 -61.5 133.3 101.9 51.5 139.2 218 461 A F - 0 0 18 -2,-0.1 -1,-0.1 1,-0.1 -173,-0.0 0.314 33.0 -83.4 -94.6-129.3 98.3 50.1 139.2 219 462 A T > - 0 0 29 1,-0.1 4,-3.4 -174,-0.0 5,-0.3 -0.982 25.5-112.4-142.8 155.0 95.6 51.4 136.8 220 463 A P H > S+ 0 0 91 0, 0.0 4,-1.1 0, 0.0 14,-0.1 0.824 118.6 49.9 -57.7 -30.1 93.3 54.3 136.7 221 464 A L H > S+ 0 0 19 2,-0.2 4,-2.4 3,-0.1 5,-0.1 0.899 116.0 39.8 -74.1 -44.2 90.3 51.9 137.1 222 465 A L H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.894 112.7 55.9 -68.8 -43.1 91.8 50.0 140.1 223 466 A E H X>S+ 0 0 53 -4,-3.4 5,-1.8 2,-0.2 4,-0.9 0.822 112.6 44.5 -59.8 -31.3 93.1 53.2 141.6 224 467 A E H <5S+ 0 0 22 -4,-1.1 3,-0.4 -5,-0.3 -2,-0.2 0.968 112.8 48.3 -72.8 -57.3 89.5 54.5 141.5 225 468 A I H <5S+ 0 0 3 -4,-2.4 -144,-0.2 1,-0.2 -2,-0.2 0.769 127.5 27.1 -57.2 -31.9 87.8 51.3 142.8 226 469 A W H <5S- 0 0 44 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.546 111.6-113.2-106.0 -11.7 90.3 51.0 145.7 227 470 A D T <5 + 0 0 93 -4,-0.9 2,-0.4 -3,-0.4 -3,-0.2 0.937 45.2 171.7 67.9 93.3 91.3 54.7 146.2 228 471 A V < 0 0 26 -5,-1.8 -1,-0.2 -8,-0.1 -2,-0.1 -0.987 360.0 360.0-133.7 120.4 95.0 55.1 145.3 229 472 A Q 0 0 141 -2,-0.4 -5,-0.0 -5,-0.0 -6,-0.0 0.013 360.0 360.0 -72.0 360.0 96.4 58.6 145.1 230 !* 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 0 127 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.9 84.7 62.5 141.5 232 746 B H > + 0 0 53 3,-0.1 4,-1.3 4,-0.1 5,-0.1 0.966 360.0 168.9 57.8 63.3 85.0 58.8 140.4 233 747 B Q H > + 0 0 140 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.949 64.5 57.0 -67.8 -51.7 84.4 59.3 136.7 234 748 B L H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.815 107.6 45.8 -59.6 -41.0 85.4 55.8 135.4 235 749 B L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.971 114.4 48.2 -65.7 -52.7 82.9 53.8 137.5 236 750 B R H X S+ 0 0 36 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.919 113.6 49.8 -48.7 -46.9 80.1 56.2 136.7 237 751 B Y H X S+ 0 0 153 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.869 107.2 53.2 -60.9 -41.2 81.2 55.9 133.0 238 752 B L H < S+ 0 0 41 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.844 111.1 46.8 -66.4 -34.6 81.2 52.1 133.1 239 753 B L H < S+ 0 0 24 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.927 115.2 44.4 -70.7 -47.3 77.6 52.0 134.5 240 754 B D H < 0 0 121 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.835 360.0 360.0 -68.3 -35.4 76.2 54.5 131.9 241 755 B K < 0 0 113 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.990 360.0 360.0 -65.5 360.0 78.1 52.9 129.0