==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 11-DEC-09 3L1B . COMPND 2 MOLECULE: FARNESOID X RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.XU,J.T.LUNDQUIST . 216 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 77.8 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 . 29 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 61.1 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 1 0 0 1 0 0 1 1 2 0 1 0 0 0 0 0 1 0 1 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 0 115 0, 0.0 3,-2.8 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 166.8 -1.1 -5.4 41.1 2 246 A H G > + 0 0 61 1,-0.3 3,-1.2 2,-0.2 8,-0.0 0.484 360.0 84.2 -62.0 -1.6 0.6 -8.0 38.8 3 247 A G G 3 S+ 0 0 62 1,-0.2 -1,-0.3 7,-0.0 7,-0.0 0.572 73.9 76.7 -69.9 -9.7 1.0 -9.9 42.0 4 248 A E G < S+ 0 0 119 -3,-2.8 -1,-0.2 159,-0.1 2,-0.2 0.722 81.6 81.7 -71.5 -22.2 -2.5 -10.9 41.1 5 249 A L S < S- 0 0 9 -3,-1.2 155,-0.0 -4,-0.1 0, 0.0 -0.585 84.4-121.6 -83.8 145.4 -1.1 -13.3 38.5 6 250 A T > - 0 0 68 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.430 34.4-104.7 -72.5 160.1 0.2 -16.7 39.4 7 251 A P H > S+ 0 0 99 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.893 124.9 54.5 -54.9 -36.3 3.9 -17.3 38.5 8 252 A D H > S+ 0 0 126 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.942 110.8 43.6 -61.8 -48.3 2.6 -19.4 35.5 9 253 A Q H > S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.882 111.8 54.9 -64.1 -39.0 0.4 -16.5 34.3 10 254 A Q H X S+ 0 0 87 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.921 108.7 48.0 -57.7 -44.0 3.3 -14.1 34.9 11 255 A T H X S+ 0 0 90 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.904 111.3 50.4 -66.1 -41.0 5.6 -16.3 32.7 12 256 A L H X S+ 0 0 26 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.913 111.9 47.1 -63.1 -44.8 3.0 -16.5 30.0 13 257 A L H X S+ 0 0 9 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.930 111.6 50.8 -61.7 -46.2 2.5 -12.7 30.0 14 258 A H H X S+ 0 0 132 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.918 111.1 48.9 -58.2 -45.4 6.2 -12.1 29.9 15 259 A F H X S+ 0 0 108 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.951 113.4 46.4 -56.3 -52.5 6.6 -14.5 27.0 16 260 A I H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.902 114.0 47.7 -59.4 -43.3 3.8 -12.8 25.1 17 261 A M H X S+ 0 0 21 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.903 109.9 51.9 -68.6 -41.7 5.1 -9.3 25.8 18 262 A D H < S+ 0 0 90 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.914 115.2 42.4 -58.8 -42.5 8.7 -10.2 24.8 19 263 A S H >< S+ 0 0 15 -4,-2.2 3,-0.7 -5,-0.2 4,-0.2 0.869 111.8 53.5 -74.7 -34.2 7.4 -11.6 21.5 20 264 A Y H >< S+ 0 0 2 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.874 109.2 50.6 -65.6 -35.4 5.0 -8.8 20.9 21 265 A N T 3< S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.542 96.2 67.9 -82.0 -7.6 7.8 -6.3 21.3 22 266 A K T < 0 0 166 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.482 360.0 360.0 -87.0 -1.7 10.2 -8.0 18.9 23 267 A Q < 0 0 58 -3,-0.9 20,-0.0 -4,-0.2 17,-0.0 -0.436 360.0 360.0 -63.1 360.0 7.9 -7.0 16.1 24 ! 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 25 283 A S > 0 0 102 0, 0.0 2,-1.0 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 -6.8 0.9 9.7 -5.6 26 284 A A T 3> + 0 0 50 74,-0.3 4,-1.0 1,-0.3 0, 0.0 -0.583 360.0 22.2 84.4 -98.1 -2.1 7.5 -6.6 27 285 A E H 3> S+ 0 0 156 -2,-1.0 4,-1.6 1,-0.2 -1,-0.3 0.697 121.1 59.8 -80.8 -20.5 -1.0 4.0 -7.5 28 286 A E H <> S+ 0 0 123 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.856 98.2 59.4 -73.7 -35.2 2.2 4.3 -5.5 29 287 A N H > S+ 0 0 16 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.934 106.8 46.0 -56.0 -48.6 0.1 4.9 -2.3 30 288 A F H X S+ 0 0 5 -4,-1.0 4,-2.5 1,-0.2 5,-0.2 0.923 108.8 55.6 -62.5 -44.1 -1.6 1.6 -2.7 31 289 A L H X S+ 0 0 94 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.889 105.8 53.2 -52.0 -41.7 1.8 -0.1 -3.4 32 290 A I H X S+ 0 0 71 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.908 108.0 50.2 -61.1 -41.3 2.9 1.4 -0.1 33 291 A L H X S+ 0 0 53 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.893 109.4 49.6 -66.7 -40.3 -0.1 -0.2 1.7 34 292 A T H X S+ 0 0 17 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.903 111.2 50.9 -63.3 -39.0 0.6 -3.6 0.2 35 293 A E H X S+ 0 0 126 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.929 110.5 48.1 -65.3 -44.7 4.2 -3.3 1.3 36 294 A M H X S+ 0 0 121 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.923 112.5 49.5 -57.5 -43.9 3.1 -2.4 4.8 37 295 A A H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.900 109.9 50.2 -65.8 -41.3 0.7 -5.3 4.8 38 296 A T H X S+ 0 0 19 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.946 111.0 50.0 -58.3 -49.1 3.4 -7.8 3.6 39 297 A N H X S+ 0 0 92 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.897 111.1 48.5 -56.9 -44.5 5.7 -6.5 6.3 40 298 A H H X S+ 0 0 26 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.903 105.4 58.2 -64.5 -42.6 3.0 -7.0 9.0 41 299 A V H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.913 105.8 49.6 -53.4 -42.8 2.2 -10.5 7.8 42 300 A Q H X S+ 0 0 101 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.923 112.4 47.3 -65.6 -39.6 5.8 -11.5 8.4 43 301 A V H X S+ 0 0 42 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.887 109.9 54.1 -64.0 -39.6 5.7 -10.0 11.9 44 302 A L H X S+ 0 0 1 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.874 105.5 52.7 -67.0 -37.0 2.4 -11.8 12.5 45 303 A V H X S+ 0 0 39 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.908 110.1 48.0 -64.2 -41.6 3.9 -15.2 11.6 46 304 A E H X S+ 0 0 101 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.870 115.4 44.1 -68.7 -37.4 6.8 -14.8 14.0 47 305 A F H X S+ 0 0 3 -4,-2.1 4,-0.9 2,-0.2 3,-0.5 0.912 113.7 51.8 -70.4 -42.9 4.5 -13.7 16.8 48 306 A T H >< S+ 0 0 2 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.942 105.3 54.0 -59.2 -52.2 2.0 -16.5 16.0 49 307 A K H 3< S+ 0 0 84 -4,-2.7 -1,-0.2 1,-0.3 6,-0.2 0.770 107.9 52.7 -52.6 -30.2 4.7 -19.2 16.0 50 308 A K H 3< S+ 0 0 110 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.664 79.0 118.5 -83.2 -19.8 5.7 -18.1 19.5 51 309 A L S X< S- 0 0 4 -3,-1.4 3,-1.6 -4,-0.9 4,-0.4 -0.172 81.4 -89.6 -52.0 142.8 2.2 -18.2 21.1 52 310 A P T 3 S- 0 0 48 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.378 107.0 -2.7 -62.5 114.2 2.0 -20.8 24.0 53 311 A G T > S+ 0 0 28 -2,-0.3 3,-1.9 -3,-0.1 4,-0.4 0.350 91.1 124.8 89.4 -5.9 1.1 -24.2 22.7 54 312 A F G X S+ 0 0 8 -3,-1.6 3,-1.7 1,-0.3 -4,-0.1 0.884 72.2 57.2 -52.0 -39.5 0.7 -23.1 19.1 55 313 A Q G 3 S+ 0 0 120 -4,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.690 96.0 63.1 -68.6 -18.4 3.2 -25.8 18.1 56 314 A T G < S+ 0 0 112 -3,-1.9 -1,-0.3 2,-0.1 2,-0.2 0.518 87.2 96.3 -82.3 -6.6 1.0 -28.5 19.7 57 315 A L S < S- 0 0 9 -3,-1.7 5,-0.1 -4,-0.4 -4,-0.0 -0.545 92.5 -91.4 -81.7 148.7 -1.8 -27.6 17.2 58 316 A D > - 0 0 75 -2,-0.2 4,-2.6 1,-0.1 3,-0.3 -0.304 37.6-119.9 -54.6 141.9 -2.2 -29.6 13.9 59 317 A H H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.891 112.8 49.9 -56.7 -44.7 -0.1 -28.0 11.1 60 318 A E H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.863 111.2 49.8 -63.4 -34.8 -3.1 -27.3 8.9 61 319 A D H > S+ 0 0 2 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.899 106.9 55.5 -69.0 -41.4 -5.0 -25.7 11.9 62 320 A Q H X S+ 0 0 23 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.941 110.6 45.3 -51.1 -51.7 -1.9 -23.6 12.5 63 321 A I H X S+ 0 0 70 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.894 111.5 51.2 -61.7 -43.8 -2.1 -22.3 8.9 64 322 A A H X S+ 0 0 17 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.834 109.5 51.2 -66.2 -31.8 -5.8 -21.7 9.0 65 323 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.915 111.1 48.1 -69.5 -42.3 -5.4 -19.7 12.2 66 324 A L H X S+ 0 0 26 -4,-2.0 4,-0.8 -5,-0.2 3,-0.3 0.948 117.8 40.1 -62.8 -48.9 -2.7 -17.6 10.7 67 325 A K H >< S+ 0 0 53 -4,-2.8 3,-0.7 1,-0.2 4,-0.4 0.918 114.0 54.4 -64.7 -44.3 -4.8 -16.9 7.5 68 326 A G H 3< S+ 0 0 8 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.774 115.5 38.0 -60.6 -27.3 -8.0 -16.5 9.4 69 327 A S H 3X S+ 0 0 0 -4,-1.5 4,-3.2 -3,-0.3 5,-0.3 0.509 85.3 97.2-105.4 -7.4 -6.6 -13.8 11.7 70 328 A A H S+ 0 0 13 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.943 115.7 47.7 -73.1 -46.0 -6.9 -9.0 8.6 72 330 A E H > S+ 0 0 3 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.932 114.7 48.3 -57.4 -46.3 -8.2 -8.7 12.2 73 331 A A H X S+ 0 0 2 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.866 108.2 54.3 -60.2 -40.2 -4.6 -8.6 13.4 74 332 A M H X S+ 0 0 31 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.902 111.5 45.0 -62.1 -40.1 -3.6 -6.0 10.8 75 333 A F H X S+ 0 0 7 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.820 111.5 51.8 -75.5 -29.5 -6.4 -3.7 12.0 76 334 A L H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.918 112.1 46.0 -74.1 -40.3 -5.6 -4.2 15.6 77 335 A R H X S+ 0 0 54 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.880 111.4 53.6 -64.1 -37.5 -2.0 -3.3 15.0 78 336 A S H X S+ 0 0 36 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.891 106.7 51.4 -63.8 -42.1 -3.2 -0.3 12.9 79 337 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.915 110.0 50.8 -58.6 -43.7 -5.3 0.9 15.8 80 338 A E H X S+ 0 0 4 -4,-1.9 4,-3.0 2,-0.2 5,-0.4 0.932 112.2 45.1 -59.9 -47.4 -2.3 0.6 18.0 81 339 A I H X>S+ 0 0 71 -4,-2.5 5,-2.4 1,-0.2 4,-1.9 0.912 111.8 52.7 -62.8 -44.4 -0.1 2.6 15.6 82 340 A F H <5S+ 0 0 21 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.870 120.9 32.4 -58.5 -38.1 -2.9 5.2 15.2 83 341 A N H <5S+ 0 0 63 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.848 129.9 29.4 -90.9 -35.5 -3.2 5.7 19.0 84 342 A K H <5S+ 0 0 96 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.627 131.7 22.0-104.9 -17.4 0.3 5.1 20.3 85 343 A K T <5S+ 0 0 122 -4,-1.9 -3,-0.2 -5,-0.4 -4,-0.1 0.702 97.6 81.5-124.9 -34.8 2.6 6.2 17.5 86 344 A L S - 0 0 71 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.268 21.2-124.0 -49.3 135.2 0.9 12.2 16.2 88 346 A S G > S+ 0 0 114 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.814 110.3 64.3 -51.4 -33.2 -2.7 13.3 16.4 89 347 A G G 3 S+ 0 0 66 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.671 101.3 48.8 -69.3 -17.9 -1.8 16.2 14.1 90 348 A H G <> S+ 0 0 95 -3,-2.1 4,-2.5 1,-0.1 -1,-0.3 0.391 82.7 97.3 -98.1 -0.6 -1.0 13.7 11.3 91 349 A S H <> S+ 0 0 14 -3,-1.4 4,-2.0 -4,-0.3 -2,-0.1 0.925 85.5 46.6 -54.3 -48.5 -4.3 11.8 11.8 92 350 A D H > S+ 0 0 118 -4,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.866 109.5 54.5 -62.2 -40.8 -6.0 13.8 8.9 93 351 A L H > S+ 0 0 72 -4,-0.2 4,-2.8 2,-0.2 5,-0.3 0.954 107.0 50.3 -57.7 -53.5 -3.0 13.2 6.6 94 352 A L H X S+ 0 0 63 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.919 113.4 45.8 -51.6 -50.6 -3.1 9.5 7.1 95 353 A E H X S+ 0 0 32 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.941 112.3 50.1 -60.6 -48.5 -6.8 9.4 6.3 96 354 A E H X S+ 0 0 103 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.904 112.6 47.4 -56.9 -44.2 -6.4 11.7 3.2 97 355 A R H < S+ 0 0 123 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.886 109.8 52.0 -65.5 -41.6 -3.6 9.6 1.8 98 356 A I H >< S+ 0 0 20 -4,-2.3 3,-1.1 -5,-0.3 5,-0.5 0.875 108.9 52.3 -62.5 -38.0 -5.5 6.3 2.4 99 357 A R H >< S+ 0 0 108 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.967 106.3 53.2 -56.8 -53.2 -8.4 7.9 0.5 100 358 A N T 3< S+ 0 0 87 -4,-2.2 -74,-0.3 1,-0.3 -1,-0.2 0.313 92.9 73.7 -70.7 8.5 -6.1 8.8 -2.4 101 359 A S T < S- 0 0 7 -3,-1.1 -1,-0.3 2,-0.3 -2,-0.2 0.575 122.0 -97.5 -93.0 -12.6 -5.0 5.1 -2.6 102 360 A G S < S+ 0 0 51 -3,-2.1 2,-0.1 1,-0.4 -2,-0.1 -0.193 87.1 126.6 122.7 -39.1 -8.3 4.2 -4.1 103 361 A I - 0 0 11 -5,-0.5 -1,-0.4 1,-0.1 -2,-0.3 -0.329 60.4-129.5 -52.7 118.4 -10.0 2.9 -0.9 104 362 A S >> - 0 0 42 -2,-0.1 3,-1.8 1,-0.1 4,-1.4 -0.452 14.3-116.4 -80.5 147.1 -13.3 4.9 -0.8 105 363 A D H 3> S+ 0 0 62 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.646 104.9 87.2 -55.6 -13.3 -14.3 6.8 2.4 106 364 A E H 34 S+ 0 0 140 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.943 108.5 15.2 -48.8 -51.9 -17.2 4.3 2.3 107 365 A Y H <> S+ 0 0 18 -3,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.507 115.8 71.8-108.5 -7.2 -15.1 1.8 4.3 108 366 A I H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.1 5,-0.3 0.844 92.6 64.8 -64.5 -34.8 -12.4 4.2 5.5 109 367 A T H X S+ 0 0 74 -4,-1.8 4,-2.1 1,-0.2 5,-0.2 0.942 103.1 39.8 -59.4 -56.9 -15.1 5.6 7.8 110 368 A P H > S+ 0 0 35 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.785 112.5 62.1 -63.6 -23.5 -15.7 2.6 10.0 111 369 A M H X S+ 0 0 10 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.968 109.4 36.7 -64.7 -53.9 -11.9 2.0 10.0 112 370 A F H X S+ 0 0 8 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.808 113.0 59.2 -72.1 -27.3 -11.1 5.3 11.6 113 371 A S H X S+ 0 0 63 -4,-2.1 4,-2.8 -5,-0.3 -1,-0.2 0.912 107.3 47.8 -62.4 -43.0 -14.1 5.1 13.9 114 372 A F H X S+ 0 0 1 -4,-1.9 4,-2.9 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H X S+ 0 0 16 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.838 108.8 56.5 -63.6 -32.8 -10.0 -6.9 -2.4 198 456 A M H X S+ 0 0 139 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.985 112.2 39.3 -58.0 -60.6 -12.8 -7.7 -4.8 199 457 A S H X S+ 0 0 46 -4,-2.0 4,-2.4 1,-0.2 3,-0.4 0.925 115.1 54.1 -55.1 -49.3 -13.0 -4.1 -6.1 200 458 A W H <>S+ 0 0 11 -4,-2.9 5,-2.3 1,-0.3 -1,-0.2 0.890 110.3 46.3 -53.4 -41.8 -9.2 -3.8 -6.1 201 459 A R H ><5S+ 0 0 155 -4,-2.3 3,-0.7 3,-0.2 -1,-0.3 0.738 107.3 57.4 -79.2 -22.4 -8.9 -6.9 -8.2 202 460 A V H 3<5S+ 0 0 119 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.901 107.4 47.7 -69.4 -42.3 -11.5 -5.7 -10.6 203 461 A N T 3<5S- 0 0 120 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.253 123.7-112.6 -78.8 12.3 -9.4 -2.6 -11.2 204 462 A D T < 5 + 0 0 109 -3,-0.7 -3,-0.2 -5,-0.2 -2,-0.1 0.910 54.9 166.4 58.4 51.3 -6.5 -5.0 -11.6 205 463 A H < - 0 0 43 -5,-2.3 -4,-0.2 -8,-0.2 -1,-0.1 0.666 27.1-154.7 -71.0 -19.5 -4.6 -3.9 -8.4 206 464 A K - 0 0 152 -6,-0.1 2,-0.3 -5,-0.1 -3,-0.0 0.525 8.5-150.5 51.8 150.3 -2.2 -6.9 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