==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE RECEPTOR 31-AUG-10 3OOF . COMPND 2 MOLECULE: BILE ACID RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.G.RUDOLPH . 485 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23474.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 73.2 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 . 7 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 3 1 2 1 2 1 2 0 0 3 2 1 0 0 0 0 2 0 4 0 0 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 1 247 A M 0 0 180 0, 0.0 178,-0.1 0, 0.0 177,-0.1 0.000 360.0 360.0 360.0 160.0 10.7 -5.2 82.4 2 248 A E - 0 0 143 1,-0.1 2,-0.1 176,-0.1 174,-0.1 -0.346 360.0 -83.4 -76.8 159.9 9.4 -7.0 79.1 3 249 A L - 0 0 20 -2,-0.1 -1,-0.1 172,-0.1 169,-0.0 -0.399 40.7-131.3 -64.8 143.2 7.0 -5.6 76.6 4 250 A T >> - 0 0 63 -2,-0.1 4,-2.4 1,-0.1 3,-0.8 -0.616 31.4-102.2 -86.2 158.3 3.3 -5.9 77.5 5 251 A P H 3> S+ 0 0 105 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.847 124.7 55.1 -46.8 -38.6 1.0 -7.3 74.6 6 252 A D H 3> S+ 0 0 128 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.859 108.9 45.1 -68.5 -33.1 -0.2 -3.7 74.1 7 253 A Q H <> S+ 0 0 33 -3,-0.8 4,-3.3 2,-0.2 -1,-0.2 0.864 112.3 52.6 -74.1 -37.0 3.4 -2.4 73.6 8 254 A Q H X S+ 0 0 74 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.908 111.2 47.1 -61.5 -42.4 4.1 -5.4 71.3 9 255 A T H X S+ 0 0 94 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.883 114.8 46.7 -64.7 -42.1 0.9 -4.4 69.3 10 256 A L H X S+ 0 0 35 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.959 111.5 50.2 -64.6 -55.0 2.1 -0.8 69.2 11 257 A L H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.905 111.8 48.8 -48.8 -50.7 5.7 -1.7 68.2 12 258 A H H X S+ 0 0 98 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.854 111.3 48.8 -59.9 -42.9 4.4 -3.9 65.3 13 259 A F H X S+ 0 0 92 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.895 111.3 50.9 -62.9 -43.1 2.1 -1.2 64.0 14 260 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.926 110.1 49.1 -62.8 -44.3 4.9 1.3 64.2 15 261 A M H X S+ 0 0 18 -4,-2.4 4,-3.4 2,-0.2 5,-0.2 0.897 106.3 56.4 -59.5 -47.2 7.2 -1.1 62.2 16 262 A D H X S+ 0 0 89 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.946 112.8 41.7 -48.9 -56.1 4.5 -1.6 59.5 17 263 A S H >< S+ 0 0 10 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.909 116.1 50.3 -56.2 -49.3 4.4 2.2 59.0 18 264 A Y H >< S+ 0 0 5 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.847 100.3 61.4 -59.9 -44.2 8.2 2.4 59.2 19 265 A N H 3< S+ 0 0 90 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.666 83.7 84.6 -59.4 -17.3 8.9 -0.4 56.6 20 266 A K T << S+ 0 0 138 -3,-1.1 -1,-0.3 -4,-0.6 2,-0.1 0.401 72.0 102.3 -66.5 0.6 7.0 1.7 53.9 21 267 A Q S < S- 0 0 30 -3,-1.2 31,-0.1 1,-0.1 -3,-0.0 -0.477 89.7 -79.4 -87.3 160.1 10.2 3.7 53.2 22 268 A R - 0 0 83 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 -0.321 58.4-101.8 -55.9 131.1 12.6 3.2 50.2 23 269 A M > - 0 0 130 1,-0.1 4,-1.3 -3,-0.1 3,-0.1 -0.275 20.5-133.5 -55.8 138.9 14.8 0.2 50.8 24 270 A P H > S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.849 106.3 61.7 -64.5 -32.6 18.4 1.2 52.0 25 271 A Q H > S+ 0 0 139 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.911 101.1 53.5 -55.6 -45.8 19.9 -1.3 49.3 26 272 A E H > S+ 0 0 119 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.949 111.9 44.0 -49.8 -61.5 18.2 0.8 46.5 27 273 A I H X S+ 0 0 23 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.871 116.1 45.4 -53.8 -51.6 19.8 4.1 47.8 28 274 A T H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.751 109.1 56.1 -70.5 -25.2 23.3 2.6 48.4 29 275 A N H X S+ 0 0 86 -4,-2.0 4,-1.9 -3,-0.3 -1,-0.2 0.850 108.0 50.0 -72.1 -33.8 23.3 0.8 45.0 30 276 A K H X S+ 0 0 74 -4,-1.6 4,-0.9 -5,-0.2 -2,-0.2 0.930 115.3 41.4 -67.9 -49.0 22.7 4.2 43.3 31 277 A I H < S+ 0 0 36 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.935 119.6 44.2 -64.5 -49.5 25.6 5.9 45.2 32 278 A L H < S+ 0 0 22 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.752 103.2 64.2 -68.0 -35.7 28.0 2.9 44.8 33 279 A K H < S+ 0 0 167 -4,-1.9 2,-0.3 1,-0.2 -1,-0.2 0.968 116.2 2.2 -55.4 -64.7 27.4 2.0 41.1 34 280 A E S < S- 0 0 109 -4,-0.9 2,-0.3 -5,-0.2 -1,-0.2 -0.920 71.4-122.7-129.1 150.4 28.6 5.2 39.4 35 281 A A - 0 0 65 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.708 31.9-159.1 -88.0 145.8 30.2 8.4 40.8 36 282 A F - 0 0 49 -2,-0.3 2,-0.1 73,-0.1 76,-0.0 -0.787 19.3-101.1-122.9 166.2 28.4 11.7 39.9 37 283 A S > - 0 0 53 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.305 42.0-102.2 -76.6 170.2 29.2 15.4 39.8 38 284 A A H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.867 124.7 51.0 -61.7 -38.5 28.2 17.8 42.6 39 285 A E H > S+ 0 0 87 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.823 110.8 48.3 -65.5 -39.8 25.3 19.1 40.5 40 286 A E H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.889 112.8 47.7 -68.0 -41.7 24.1 15.5 39.8 41 287 A N H X S+ 0 0 24 -4,-2.2 4,-2.7 72,-0.2 -2,-0.2 0.847 106.8 57.0 -70.1 -33.7 24.3 14.6 43.6 42 288 A F H X S+ 0 0 7 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.918 107.5 49.2 -61.3 -43.1 22.5 17.8 44.5 43 289 A L H X S+ 0 0 102 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.904 111.3 48.2 -59.3 -49.0 19.6 16.6 42.2 44 290 A I H X S+ 0 0 24 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.887 111.4 52.1 -59.6 -44.3 19.6 13.1 43.9 45 291 A L H X S+ 0 0 28 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.937 110.3 46.7 -58.3 -53.1 19.6 14.8 47.4 46 292 A T H X S+ 0 0 11 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.890 116.3 44.8 -58.4 -42.8 16.6 17.0 46.5 47 293 A E H X S+ 0 0 94 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.950 115.4 47.5 -63.7 -53.6 14.6 14.0 45.1 48 294 A M H X S+ 0 0 29 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.876 115.5 45.5 -53.4 -44.9 15.7 11.7 48.0 49 295 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.833 111.5 52.8 -74.1 -29.5 14.7 14.5 50.5 50 296 A T H X S+ 0 0 24 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.970 114.4 41.3 -68.1 -50.5 11.4 15.1 48.6 51 297 A N H X S+ 0 0 44 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.861 110.7 59.3 -65.4 -34.8 10.5 11.4 48.8 52 298 A H H X S+ 0 0 23 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.923 106.2 46.8 -59.1 -46.2 11.7 11.2 52.4 53 299 A V H X S+ 0 0 3 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.859 109.7 53.0 -63.3 -42.3 9.2 14.0 53.6 54 300 A Q H X S+ 0 0 82 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.938 113.7 42.8 -60.3 -47.7 6.2 12.4 51.8 55 301 A V H X S+ 0 0 28 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.898 112.8 54.8 -63.0 -42.9 6.9 9.1 53.5 56 302 A L H X S+ 0 0 7 -4,-2.4 4,-3.3 2,-0.2 -2,-0.2 0.865 104.7 52.3 -60.7 -42.2 7.6 10.9 56.8 57 303 A V H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.928 111.3 48.2 -61.1 -40.9 4.2 12.7 56.7 58 304 A E H X S+ 0 0 52 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.909 114.2 45.4 -64.6 -44.8 2.6 9.2 56.2 59 305 A F H >< S+ 0 0 10 -4,-2.6 3,-0.5 2,-0.2 4,-0.3 0.946 113.9 49.9 -62.2 -49.7 4.5 7.7 59.1 60 306 A T H >< S+ 0 0 0 -4,-3.3 3,-1.7 1,-0.2 -2,-0.2 0.888 107.9 52.9 -53.4 -50.4 3.8 10.8 61.3 61 307 A K H 3< S+ 0 0 17 -4,-2.8 6,-0.3 1,-0.3 -1,-0.2 0.772 106.0 55.1 -58.5 -32.0 -0.0 10.6 60.5 62 308 A K T << S+ 0 0 83 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.517 82.1 111.6 -80.9 -5.8 -0.1 6.9 61.6 63 309 A L S X S- 0 0 4 -3,-1.7 3,-1.9 -4,-0.3 4,-0.4 -0.531 85.6 -93.9 -73.3 133.6 1.4 7.8 65.0 64 310 A P T 3 S- 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.208 104.9 -1.6 -54.3 124.9 -1.1 7.2 67.8 65 311 A G T >> S+ 0 0 27 -4,-0.1 3,-1.9 -3,-0.1 4,-0.7 0.145 92.7 120.8 83.0 -15.9 -2.9 10.4 68.7 66 312 A F G X4 S+ 0 0 0 -3,-1.9 3,-1.1 1,-0.3 -5,-0.1 0.849 76.1 51.2 -44.9 -42.7 -1.0 12.5 66.2 67 313 A Q G 34 S+ 0 0 108 -4,-0.4 -1,-0.3 -6,-0.3 7,-0.1 0.701 99.7 64.1 -71.3 -19.6 -4.4 13.4 64.5 68 314 A T G <4 S+ 0 0 117 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.613 86.0 103.1 -74.9 -18.1 -5.9 14.5 67.8 69 315 A L S << S- 0 0 11 -3,-1.1 5,-0.1 -4,-0.7 -4,-0.0 -0.393 90.0 -85.9 -71.3 150.0 -3.3 17.4 68.0 70 316 A D >> - 0 0 75 1,-0.1 4,-2.3 -2,-0.1 3,-0.8 -0.210 40.3-122.4 -50.0 130.3 -4.0 21.0 67.3 71 317 A H H 3> S+ 0 0 123 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.847 112.7 48.5 -46.6 -47.1 -3.7 21.6 63.5 72 318 A E H 3> S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.794 109.5 53.3 -68.1 -29.9 -1.0 24.2 64.0 73 319 A D H <> S+ 0 0 2 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.926 104.4 55.4 -70.9 -42.7 0.9 22.0 66.4 74 320 A Q H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.866 109.7 47.3 -54.9 -41.2 1.0 19.2 63.9 75 321 A I H X S+ 0 0 12 -4,-1.3 4,-2.7 2,-0.2 5,-0.3 0.918 110.7 49.9 -66.1 -48.8 2.6 21.6 61.3 76 322 A A H X S+ 0 0 5 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.808 111.1 52.0 -62.0 -30.0 5.2 22.8 63.8 77 323 A L H X S+ 0 0 0 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.872 111.7 44.8 -70.9 -44.8 6.0 19.1 64.6 78 324 A L H >X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 3,-0.6 0.937 117.2 43.8 -66.6 -49.6 6.6 18.2 60.9 79 325 A K H 3< S+ 0 0 56 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.917 114.9 51.3 -59.5 -46.7 8.7 21.3 60.2 80 326 A G H 3< S+ 0 0 15 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.657 120.9 31.9 -65.8 -20.0 10.6 20.8 63.4 81 327 A S H S+ 0 0 2 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.865 116.6 49.0 -58.5 -46.4 15.5 17.5 58.6 84 330 A E H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.868 111.0 50.6 -62.9 -38.0 16.5 15.5 61.8 85 331 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 -3,-0.2 -2,-0.2 0.884 109.1 51.0 -66.4 -40.1 14.4 12.5 60.6 86 332 A M H X S+ 0 0 19 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.894 112.6 46.8 -64.5 -41.7 16.2 12.6 57.2 87 333 A F H X S+ 0 0 20 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.912 112.3 48.8 -69.4 -38.9 19.6 12.7 59.0 88 334 A L H X S+ 0 0 1 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.882 113.7 47.5 -66.0 -36.9 18.7 9.9 61.3 89 335 A R H X S+ 0 0 18 -4,-2.2 4,-2.4 2,-0.2 3,-0.3 0.936 108.9 52.9 -68.9 -43.7 17.5 7.8 58.3 90 336 A S H X S+ 0 0 34 -4,-2.8 4,-2.8 1,-0.3 -2,-0.2 0.885 110.2 51.1 -56.4 -39.6 20.7 8.6 56.3 91 337 A A H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -1,-0.3 0.820 107.5 51.1 -67.0 -36.6 22.6 7.3 59.4 92 338 A E H >< S+ 0 0 3 -4,-1.4 3,-0.6 -3,-0.3 4,-0.4 0.973 113.3 45.0 -63.7 -54.4 20.5 4.1 59.4 93 339 A I H >< S+ 0 0 20 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.915 109.9 55.5 -52.4 -52.6 21.2 3.5 55.7 94 340 A F H 3< S+ 0 0 30 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.807 108.8 49.3 -50.8 -37.5 25.0 4.3 56.2 95 341 A N T << S+ 0 0 46 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.464 79.7 116.9 -89.2 -1.1 25.1 1.6 59.0 96 342 A K S < S- 0 0 85 -3,-1.8 2,-0.2 -4,-0.4 35,-0.0 -0.465 80.2-101.5 -66.7 133.6 23.5 -1.2 57.0 97 343 A K - 0 0 184 -2,-0.1 -1,-0.1 1,-0.0 -2,-0.1 -0.457 46.6-174.4 -66.9 122.1 26.0 -4.0 56.6 98 344 A L - 0 0 49 -2,-0.2 5,-0.1 1,-0.1 3,-0.1 -0.810 35.8 -85.5-110.7 157.5 27.5 -4.0 53.1 99 345 A P S > S- 0 0 80 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.377 75.1 -64.0 -61.5 144.9 29.9 -6.5 51.4 100 346 A S T 3 S+ 0 0 119 1,-0.2 2,-0.2 2,-0.1 -3,-0.0 0.128 121.5 10.1 -31.5 131.9 33.6 -5.7 52.3 101 347 A G T 3> S+ 0 0 38 -3,-0.1 4,-2.2 1,-0.1 -1,-0.2 -0.081 101.3 94.1 85.7 -33.3 34.9 -2.3 51.0 102 348 A H H <> S+ 0 0 78 -3,-1.8 4,-3.0 -2,-0.2 5,-0.2 0.820 81.8 58.6 -56.6 -37.6 31.5 -1.0 49.9 103 349 A S H > S+ 0 0 61 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.951 110.1 42.8 -53.0 -54.0 31.2 0.7 53.3 104 350 A D H > S+ 0 0 104 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.819 114.8 49.7 -63.6 -39.8 34.5 2.6 52.5 105 351 A L H X S+ 0 0 72 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.907 109.3 51.2 -72.1 -38.0 33.4 3.4 49.0 106 352 A L H X S+ 0 0 4 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.936 112.1 47.1 -62.4 -46.8 30.0 4.7 50.1 107 353 A E H X S+ 0 0 41 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.934 113.0 47.9 -58.7 -50.9 31.6 7.1 52.6 108 354 A A H X S+ 0 0 48 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.924 112.7 50.4 -58.8 -43.8 34.2 8.3 50.0 109 355 A R H >X S+ 0 0 61 -4,-2.7 3,-1.1 1,-0.2 4,-0.7 0.943 113.1 43.9 -54.8 -57.4 31.4 8.8 47.5 110 356 A I H >< S+ 0 0 33 -4,-2.5 3,-0.7 1,-0.3 5,-0.4 0.827 108.0 59.8 -57.0 -40.7 29.2 10.9 49.9 111 357 A R H 3< S+ 0 0 92 -4,-2.5 3,-0.3 1,-0.3 -1,-0.3 0.794 110.8 41.4 -60.0 -31.2 32.3 12.8 51.0 112 358 A N H << S+ 0 0 116 -4,-1.2 -1,-0.3 -3,-1.1 -2,-0.2 0.499 83.2 106.7 -92.2 -12.1 32.7 13.9 47.3 113 359 A S S << S- 0 0 11 -4,-0.7 -72,-0.2 -3,-0.7 -71,-0.2 0.670 101.1 -97.2 -40.5 -30.7 28.9 14.6 46.9 114 360 A G S S+ 0 0 0 1,-0.4 99,-3.0 -3,-0.3 -1,-0.1 0.206 79.0 135.9 124.8 -13.0 29.5 18.4 47.0 115 361 A I - 0 0 11 -5,-0.4 -1,-0.4 97,-0.2 97,-0.1 -0.326 65.1 -99.4 -60.2 144.6 28.7 19.1 50.6 116 362 A S >> - 0 0 21 92,-0.3 3,-1.5 1,-0.1 4,-0.7 -0.391 28.0-117.8 -65.9 150.0 31.2 21.6 52.2 117 363 A D H 3> S+ 0 0 112 1,-0.3 4,-1.3 2,-0.2 3,-0.5 0.782 108.7 72.7 -60.5 -29.6 34.0 19.9 54.4 118 364 A E H 34 S+ 0 0 127 1,-0.2 -1,-0.3 2,-0.2 90,-0.0 0.720 106.5 37.4 -54.5 -27.2 32.7 21.8 57.6 119 365 A Y H <> S+ 0 0 24 -3,-1.5 4,-1.6 2,-0.1 -1,-0.2 0.584 102.0 70.1-103.6 -20.7 29.7 19.4 57.5 120 366 A I H X S+ 0 0 6 -4,-0.7 4,-2.8 -3,-0.5 5,-0.3 0.923 99.4 50.1 -65.6 -47.8 31.3 16.1 56.4 121 367 A T H X S+ 0 0 81 -4,-1.3 4,-3.1 2,-0.2 3,-0.3 0.981 114.4 40.7 -58.7 -61.6 33.2 15.7 59.7 122 368 A P H > S+ 0 0 55 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.816 116.8 53.9 -57.6 -28.0 30.2 16.3 62.1 123 369 A M H X S+ 0 0 9 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.908 115.4 35.5 -69.8 -48.4 28.0 14.2 59.7 124 370 A F H X S+ 0 0 1 -4,-2.8 4,-2.9 -3,-0.3 5,-0.3 0.864 113.3 58.6 -76.2 -34.7 30.2 11.1 59.6 125 371 A S H X S+ 0 0 24 -4,-3.1 4,-1.6 -5,-0.3 -2,-0.2 0.941 111.3 43.6 -57.2 -45.3 31.2 11.6 63.3 126 372 A F H X S+ 0 0 0 -4,-1.9 4,-3.1 -5,-0.2 -2,-0.2 0.921 114.9 48.5 -61.8 -52.0 27.4 11.3 64.0 127 373 A Y H X S+ 0 0 11 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.832 113.5 46.1 -56.7 -45.8 26.8 8.3 61.6 128 374 A K H X S+ 0 0 96 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.805 114.1 49.0 -73.6 -26.8 29.8 6.4 63.0 129 375 A S H X S+ 0 0 12 -4,-1.6 4,-1.1 -5,-0.3 3,-0.3 0.948 113.1 46.0 -72.3 -51.6 28.6 7.1 66.6 130 376 A I H >< S+ 0 0 0 -4,-3.1 3,-0.6 1,-0.2 5,-0.5 0.895 110.9 55.9 -53.7 -43.9 25.0 6.0 65.8 131 377 A G H >< S+ 0 0 6 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.869 100.4 57.0 -56.8 -42.9 26.5 2.9 64.1 132 378 A E H 3< S+ 0 0 101 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.825 94.8 67.3 -57.9 -35.4 28.4 2.1 67.3 133 379 A L T << S- 0 0 7 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.642 92.8-147.1 -62.0 -19.3 25.0 1.9 69.1 134 380 A K < - 0 0 124 -3,-1.6 -3,-0.1 -4,-0.4 -2,-0.1 0.841 25.4-171.1 52.3 44.5 24.0 -1.2 67.0 135 381 A M - 0 0 16 -5,-0.5 -1,-0.2 1,-0.1 2,-0.1 -0.363 16.7-131.0 -68.8 143.8 20.4 -0.3 66.9 136 382 A T > - 0 0 45 -2,-0.1 4,-1.6 1,-0.1 5,-0.1 -0.241 34.0 -99.1 -81.3 175.5 17.7 -2.7 65.5 137 383 A Q H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.910 125.9 57.2 -64.3 -38.3 15.1 -1.6 62.9 138 384 A E H > S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.856 104.8 50.6 -57.0 -43.7 12.6 -1.2 65.8 139 385 A E H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.891 110.9 48.3 -65.2 -40.1 15.0 1.2 67.7 140 386 A Y H X S+ 0 0 14 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.898 114.1 47.7 -66.1 -41.5 15.4 3.4 64.5 141 387 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.907 115.9 42.1 -66.7 -44.3 11.7 3.4 64.0 142 388 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.859 114.1 50.8 -69.4 -40.1 10.9 4.3 67.7 143 389 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.882 110.2 51.7 -64.8 -37.7 13.7 6.9 67.9 144 390 A T H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.959 111.8 45.7 -60.1 -52.6 12.3 8.5 64.6 145 391 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.903 111.7 52.7 -57.7 -42.3 8.8 8.6 66.2 146 392 A I H < S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.876 109.8 49.4 -57.9 -39.8 10.3 10.0 69.5 147 393 A V H >< S+ 0 0 1 -4,-2.1 3,-0.6 -3,-0.2 -2,-0.2 0.898 112.6 46.2 -67.1 -45.8 12.0 12.8 67.3 148 394 A I H 3< S+ 0 0 0 -4,-2.3 2,-1.2 1,-0.3 -2,-0.2 0.919 110.8 54.1 -63.2 -46.8 8.8 13.7 65.5 149 395 A L T 3< S+ 0 0 1 -4,-2.8 17,-0.3 -5,-0.2 -1,-0.3 -0.278 75.7 145.3 -89.5 52.8 6.8 13.7 68.8 150 396 A S X - 0 0 18 -2,-1.2 3,-1.4 -3,-0.6 13,-0.1 -0.817 38.6-160.6 -94.8 117.0 9.1 16.2 70.6 151 397 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.762 86.9 70.2 -62.7 -24.2 7.2 18.6 72.9 152 398 A D T 3 + 0 0 53 7,-0.1 2,-0.1 10,-0.1 3,-0.1 0.264 67.9 128.9 -76.9 2.9 10.2 20.9 72.8 153 399 A R S X S- 0 0 17 -3,-1.4 3,-1.6 1,-0.1 2,-0.1 -0.405 70.1-104.9 -63.3 141.1 9.7 22.0 69.2 154 400 A Q T 3 S+ 0 0 60 1,-0.2 -74,-0.1 -78,-0.1 3,-0.1 -0.449 106.2 25.5 -63.4 138.0 9.7 25.7 68.7 155 401 A Y T 3 S+ 0 0 162 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.341 79.0 144.7 85.8 2.8 6.0 27.0 68.2 156 402 A I < - 0 0 17 -3,-1.6 3,-0.3 1,-0.2 -1,-0.3 -0.600 31.2-167.6 -74.2 120.3 4.3 24.1 70.1 157 403 A K S S+ 0 0 122 -2,-0.4 2,-0.2 1,-0.3 -1,-0.2 0.603 81.5 31.7 -83.9 -19.1 1.3 25.7 71.8 158 404 A D > + 0 0 68 1,-0.1 4,-1.2 -88,-0.1 3,-0.5 -0.680 61.4 170.4-143.5 81.5 0.5 22.7 74.0 159 405 A R H > S+ 0 0 37 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.864 78.4 64.7 -55.6 -43.2 3.8 20.8 74.9 160 406 A E H > S+ 0 0 111 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.856 100.3 48.9 -50.7 -48.0 1.8 18.8 77.5 161 407 A A H > S+ 0 0 24 -3,-0.5 4,-1.3 2,-0.2 -1,-0.2 0.880 112.7 47.4 -65.5 -38.6 -0.3 17.1 74.7 162 408 A V H X S+ 0 0 0 -4,-1.2 4,-2.5 1,-0.2 -2,-0.2 0.896 109.2 55.0 -68.4 -38.1 2.8 16.2 72.6 163 409 A E H X S+ 0 0 94 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.849 103.7 55.0 -61.5 -38.3 4.5 14.8 75.8 164 410 A K H < S+ 0 0 160 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.847 111.3 45.6 -64.3 -35.6 1.4 12.5 76.3 165 411 A L H X S+ 0 0 29 -4,-1.3 4,-0.5 1,-0.2 -2,-0.2 0.953 115.4 43.4 -73.3 -47.4 2.0 11.2 72.8 166 412 A Q H X S+ 0 0 24 -4,-2.5 4,-2.3 -17,-0.3 3,-0.4 0.733 97.7 80.0 -67.8 -31.2 5.8 10.7 73.0 167 413 A E H X S+ 0 0 100 -4,-2.0 4,-1.9 1,-0.2 3,-0.2 0.914 92.5 44.3 -45.6 -60.3 5.5 9.2 76.6 168 414 A P H > S+ 0 0 49 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.798 113.2 52.8 -62.2 -26.5 4.5 5.6 75.5 169 415 A L H X S+ 0 0 3 -4,-0.5 4,-2.5 -3,-0.4 -2,-0.2 0.887 106.5 52.3 -75.7 -33.7 7.2 5.5 72.7 170 416 A L H X S+ 0 0 40 -4,-2.3 4,-2.4 -3,-0.2 -1,-0.2 0.930 109.5 50.7 -63.6 -41.9 9.9 6.5 75.2 171 417 A D H X S+ 0 0 63 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.897 111.1 46.8 -63.3 -45.4 8.8 3.6 77.4 172 418 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.939 112.2 49.9 -61.9 -51.0 8.9 1.0 74.6 173 419 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.913 109.8 51.8 -54.4 -44.6 12.3 2.2 73.3 174 420 A Q H X S+ 0 0 96 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.853 109.0 49.8 -60.4 -41.8 13.7 2.0 76.9 175 421 A K H X S+ 0 0 36 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.927 109.4 52.1 -65.6 -40.5 12.4 -1.6 77.3 176 422 A L H X S+ 0 0 4 -4,-2.3 4,-3.8 1,-0.2 5,-0.5 0.908 107.5 52.5 -61.9 -41.6 14.1 -2.5 73.9 177 423 A C H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.888 111.9 45.0 -59.6 -42.8 17.4 -1.1 75.1 178 424 A K H < S+ 0 0 151 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.852 119.9 43.4 -70.7 -33.1 17.2 -3.3 78.2 179 425 A I H < S+ 0 0 76 -4,-2.3 -2,-0.2 2,-0.1 -3,-0.2 0.946 124.6 30.0 -74.0 -59.0 16.1 -6.3 76.1 180 426 A H H < S+ 0 0 77 -4,-3.8 -3,-0.2 1,-0.2 -2,-0.2 0.749 133.5 29.4 -76.8 -30.8 18.5 -6.0 73.1 181 427 A Q >< + 0 0 30 -4,-1.9 3,-1.2 -5,-0.5 6,-0.3 -0.499 64.7 147.9-130.2 64.0 21.5 -4.4 74.9 182 428 A P T 3 + 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.427 68.2 69.9 -80.0 4.3 21.4 -5.6 78.6 183 429 A E T 3 S+ 0 0 185 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.162 102.3 48.8 -99.8 13.4 25.3 -5.4 78.8 184 430 A N X + 0 0 53 -3,-1.2 3,-1.4 -7,-0.2 -1,-0.2 -0.712 58.4 178.6-152.3 89.1 25.0 -1.6 78.6 185 431 A P T 3 S+ 0 0 118 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.707 85.2 64.1 -69.8 -14.5 22.4 0.0 81.0 186 432 A Q T 3> S+ 0 0 40 1,-0.2 4,-2.1 2,-0.1 3,-0.4 0.574 75.2 98.1 -78.1 -13.3 23.5 3.4 79.6 187 433 A H H <> S+ 0 0 4 -3,-1.4 4,-2.1 -6,-0.3 -1,-0.2 0.851 79.2 48.8 -44.0 -54.5 22.2 2.4 76.2 188 434 A F H > S+ 0 0 33 -3,-0.4 4,-1.9 -4,-0.2 -1,-0.2 0.892 112.7 49.3 -55.1 -46.1 18.8 4.2 76.4 189 435 A A H > S+ 0 0 7 -3,-0.4 4,-1.7 -4,-0.3 -1,-0.2 0.829 106.9 55.1 -64.6 -35.5 20.5 7.5 77.6 190 436 A C H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 3,-0.4 0.952 106.1 52.2 -62.9 -44.6 23.0 7.3 74.7 191 437 A L H X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.3 -2,-0.2 0.928 111.8 45.8 -54.0 -49.5 20.1 7.1 72.3 192 438 A L H X S+ 0 0 17 -4,-1.9 4,-0.7 1,-0.2 -1,-0.3 0.732 109.6 55.6 -64.2 -30.8 18.6 10.3 73.9 193 439 A G H >X S+ 0 0 0 -4,-1.7 4,-1.6 -3,-0.4 3,-1.2 0.924 101.6 56.5 -66.7 -45.0 22.0 11.9 73.8 194 440 A R H 3X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.3 -2,-0.2 0.725 99.0 62.8 -59.3 -24.7 22.3 11.3 70.0 195 441 A L H 3X S+ 0 0 23 -4,-0.8 4,-1.3 2,-0.2 -1,-0.3 0.828 101.8 48.8 -69.6 -34.7 19.0 13.3 69.7 196 442 A T H < S+ 0 0 18 -4,-0.8 3,-0.7 1,-0.2 4,-0.5 0.872 106.5 56.0 -63.6 -41.9 22.6 19.4 62.3 202 448 A N H >< S+ 0 0 29 -4,-1.3 3,-0.8 1,-0.2 4,-0.3 0.855 99.7 60.9 -58.9 -33.9 19.1 20.8 62.0 203 449 A H H 3< S+ 0 0 40 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.798 114.9 32.4 -63.2 -32.1 20.5 24.3 63.1 204 450 A H T S+ 0 0 13 -3,-0.8 4,-1.5 -4,-0.5 5,-0.2 0.865 77.7 47.5 -49.8 -52.1 20.7 22.5 57.5 206 452 A A H > S+ 0 0 29 -4,-0.3 4,-2.8 1,-0.2 3,-0.3 0.913 112.2 50.9 -60.9 -42.8 19.9 25.5 55.1 207 453 A E H > S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.874 107.0 54.2 -60.1 -44.6 23.6 26.5 55.1 208 454 A M H < S+ 0 0 9 -4,-2.1 -92,-0.3 1,-0.2 -1,-0.2 0.813 114.6 40.0 -65.2 -27.2 24.8 23.0 54.3 209 455 A L H >< S+ 0 0 9 -4,-1.5 3,-1.0 -3,-0.3 -2,-0.2 0.870 116.0 51.2 -83.0 -41.3 22.5 22.9 51.2 210 456 A M H 3< S+ 0 0 92 -4,-2.8 -2,-0.2 1,-0.2 4,-0.2 0.755 111.4 48.8 -63.1 -30.0 23.3 26.6 50.3 211 457 A S T 3< S+ 0 0 44 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.369 77.8 128.8 -93.2 -0.5 27.0 25.8 50.5 212 458 A W S < S- 0 0 22 -3,-1.0 2,-2.5 1,-0.2 -97,-0.2 -0.365 78.7-103.2 -57.2 131.5 26.8 22.6 48.3 213 459 A R S S+ 0 0 142 -99,-3.0 2,-0.3 -175,-0.0 -1,-0.2 -0.392 85.1 106.1 -66.8 74.9 29.5 23.1 45.6 214 460 A V S S- 0 0 18 -2,-2.5 3,-0.1 -4,-0.2 -100,-0.0 -0.960 70.2-127.4-147.5 158.4 27.1 24.1 42.8 215 461 A N S S+ 0 0 138 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.961 95.1 32.0 -72.5 -56.8 26.1 27.3 40.9 216 462 A D - 0 0 114 2,-0.0 2,-0.8 0, 0.0 -1,-0.2 -0.922 64.8-156.7-113.7 130.3 22.3 27.1 41.3 217 463 A H + 0 0 40 -2,-0.4 2,-0.5 -3,-0.1 13,-0.1 -0.858 21.5 179.3-106.1 89.8 20.5 25.6 44.3 218 464 A K - 0 0 153 -2,-0.8 2,-0.4 12,-0.0 -172,-0.1 -0.854 3.3-173.0 -97.9 128.7 17.1 24.7 43.0 219 465 A F - 0 0 16 -2,-0.5 5,-0.1 -173,-0.0 -176,-0.0 -0.960 29.4-108.7-124.6 143.5 14.6 23.0 45.4 220 466 A T >> - 0 0 47 -2,-0.4 4,-1.8 1,-0.1 3,-0.6 -0.294 38.1-111.9 -59.3 145.8 11.2 21.5 44.9 221 467 A P H 3> S+ 0 0 98 0, 0.0 4,-0.7 0, 0.0 -1,-0.1 0.848 120.5 55.6 -52.7 -33.7 8.4 23.7 46.4 222 468 A L H >> S+ 0 0 15 1,-0.2 4,-1.4 2,-0.2 3,-0.6 0.883 107.9 48.3 -62.9 -41.6 7.8 20.9 49.1 223 469 A L H <> S+ 0 0 0 -3,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.835 105.7 58.0 -67.6 -30.0 11.5 21.2 50.0 224 470 A C H 3<>S+ 0 0 32 -4,-1.8 5,-0.7 1,-0.2 4,-0.3 0.680 108.6 48.2 -69.7 -22.0 11.2 25.0 50.2 225 471 A E H <<5S+ 0 0 29 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.798 119.2 34.6 -86.7 -38.0 8.4 24.5 52.8 226 472 A I H <5S+ 0 0 2 -4,-1.4 -143,-0.2 1,-0.1 -2,-0.2 0.854 120.4 46.5 -84.0 -41.0 10.2 22.0 55.0 227 473 A W T <5S- 0 0 10 -4,-2.5 -3,-0.1 -5,-0.2 -2,-0.1 0.276 95.1-122.5 -93.4 3.4 13.8 23.3 54.7 228 474 A D T 5 + 0 0 115 -4,-0.3 2,-0.3 1,-0.2 -3,-0.1 0.973 67.1 136.3 48.9 58.6 13.6 27.1 55.2 229 475 A V < 0 0 15 -5,-0.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.925 360.0 360.0-133.6 158.3 15.3 27.6 51.7 230 476 A Q 0 0 171 -2,-0.3 -12,-0.0 -13,-0.1 0, 0.0 -0.324 360.0 360.0 60.4 360.0 14.6 30.0 48.7 231 !* 0 0 0 0, 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41.6-103.7 -67.6 159.5 18.2 16.6 112.9 282 284 C A H 3> S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.788 123.4 54.1 -54.7 -32.0 15.9 16.9 109.8 283 285 C E H 3> S+ 0 0 96 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.807 108.1 47.7 -73.6 -35.6 15.3 20.6 110.8 284 286 C E H <> S+ 0 0 99 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.892 114.0 48.7 -70.8 -40.5 19.0 21.4 110.9 285 287 C N H X S+ 0 0 19 -4,-2.3 4,-3.0 72,-0.3 -2,-0.2 0.886 109.5 50.6 -66.4 -41.5 19.4 19.7 107.5 286 288 C F H X S+ 0 0 7 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.908 112.0 48.6 -63.7 -39.5 16.5 21.6 106.0 287 289 C L H X S+ 0 0 116 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.847 112.9 47.6 -65.1 -37.9 18.2 24.8 107.3 288 290 C I H X S+ 0 0 20 -4,-1.9 4,-2.9 2,-0.2 3,-0.3 0.953 111.3 52.6 -66.5 -49.8 21.6 23.7 105.8 289 291 C L H X S+ 0 0 31 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.847 107.7 49.0 -52.4 -49.9 19.8 22.8 102.5 290 292 C T H X S+ 0 0 12 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.828 114.0 46.7 -63.0 -36.8 18.2 26.3 102.2 291 293 C E H X S+ 0 0 83 -4,-1.3 4,-2.8 -3,-0.3 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1,-0.2 -2,-0.2 0.878 111.3 51.0 -54.4 -45.2 23.8 10.5 91.4 372 374 C K H X S+ 0 0 83 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.915 109.7 47.4 -61.2 -43.7 24.9 6.9 90.7 373 375 C S H X S+ 0 0 8 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.724 110.6 53.2 -71.5 -22.5 24.6 7.1 86.9 374 376 C I H >< S+ 0 0 1 -4,-1.7 3,-0.7 -5,-0.2 5,-0.5 0.927 107.6 52.5 -72.5 -45.7 26.6 10.4 87.0 375 377 C G H >< S+ 0 0 9 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.810 102.8 57.2 -54.9 -37.5 29.2 8.5 89.0 376 378 C E H 3< S+ 0 0 107 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.800 99.2 60.2 -65.6 -33.0 29.5 5.7 86.3 377 379 C L T << S- 0 0 3 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.635 96.2-148.7 -68.1 -16.8 30.4 8.4 83.7 378 380 C K < - 0 0 163 -3,-1.1 -3,-0.1 -4,-0.5 2,-0.1 0.923 23.4-157.5 44.0 58.9 33.4 9.2 85.9 379 381 C M - 0 0 20 -5,-0.5 2,-0.2 1,-0.1 -1,-0.1 -0.386 9.5-132.9 -72.2 144.1 33.3 12.9 84.8 380 382 C T > - 0 0 64 -2,-0.1 4,-2.2 1,-0.1 3,-0.3 -0.487 31.4-105.1 -83.7 165.7 36.3 15.3 84.9 381 383 C Q H > S+ 0 0 101 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.830 123.6 55.9 -59.7 -32.3 36.0 18.8 86.4 382 384 C E H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.875 106.3 49.9 -68.6 -38.2 36.0 20.1 82.8 383 385 C E H > S+ 0 0 6 -3,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.919 111.1 48.8 -67.6 -42.4 33.0 17.9 81.8 384 386 C Y H X S+ 0 0 14 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.839 111.6 49.7 -62.5 -39.6 31.1 19.1 84.9 385 387 C A H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.933 115.2 41.7 -67.0 -48.2 31.8 22.7 84.1 386 388 C L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.905 112.5 54.8 -65.5 -45.6 30.7 22.5 80.4 387 389 C L H X S+ 0 0 2 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.921 108.4 48.5 -57.0 -44.3 27.7 20.3 81.3 388 390 C T H X S+ 0 0 6 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.860 112.6 48.9 -61.0 -41.1 26.5 23.0 83.7 389 391 C A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.915 112.7 47.1 -64.6 -41.9 27.1 25.7 81.0 390 392 C I H < S+ 0 0 2 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.859 110.2 54.1 -66.2 -39.8 25.1 23.5 78.4 391 393 C V H >< S+ 0 0 0 -4,-2.7 3,-0.8 -5,-0.2 -2,-0.2 0.937 112.1 44.2 -60.1 -47.0 22.4 23.0 81.1 392 394 C I H 3< S+ 0 0 0 -4,-2.1 2,-0.6 1,-0.3 -2,-0.2 0.896 111.7 52.5 -65.4 -44.0 22.1 26.8 81.5 393 395 C L T 3< S+ 0 0 2 -4,-2.5 -1,-0.3 -5,-0.1 17,-0.2 -0.191 74.2 144.2 -91.0 43.6 22.2 27.6 77.7 394 396 C S X - 0 0 7 -3,-0.8 3,-1.3 -2,-0.6 13,-0.1 -0.729 37.9-162.0 -84.9 109.1 19.4 25.2 76.8 395 397 C P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 12,-0.1 0.492 81.8 76.1 -70.3 2.7 17.3 26.7 74.0 396 398 C D T 3 + 0 0 11 2,-0.1 4,-0.1 7,-0.0 7,-0.0 0.578 65.8 116.8 -85.6 -19.0 14.5 24.2 74.9 397 399 C R S X S- 0 0 18 -3,-1.3 3,-1.0 1,-0.1 2,-0.2 -0.144 73.1-105.0 -53.0 148.1 13.3 26.0 78.0 398 400 C Q T 3 S+ 0 0 84 1,-0.2 -1,-0.1 -78,-0.1 3,-0.1 -0.509 102.0 31.8 -73.6 145.6 9.8 27.4 78.0 399 401 C Y T 3 S+ 0 0 182 1,-0.3 2,-0.6 -2,-0.2 -1,-0.2 0.436 78.8 141.0 85.8 2.9 9.3 31.1 77.6 400 402 C I < - 0 0 17 -3,-1.0 -1,-0.3 1,-0.2 3,-0.3 -0.691 31.0-172.4 -81.2 124.3 12.4 31.5 75.4 401 403 C K S S+ 0 0 169 -2,-0.6 2,-0.4 1,-0.2 -1,-0.2 0.805 76.4 36.9 -84.9 -34.5 11.6 34.0 72.7 402 404 C D > + 0 0 77 1,-0.2 4,-1.3 -88,-0.1 3,-0.3 -0.763 59.0 171.3-126.5 84.8 14.7 33.5 70.6 403 405 C R H > S+ 0 0 15 -2,-0.4 4,-3.5 -3,-0.3 3,-0.3 0.913 78.2 59.0 -54.4 -50.7 16.0 29.9 70.5 404 406 C E H > S+ 0 0 106 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.828 101.8 51.7 -52.3 -44.0 18.6 30.6 67.8 405 407 C A H > S+ 0 0 23 -3,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.921 116.0 42.3 -63.5 -37.8 20.5 33.2 69.8 406 408 C V H >X S+ 0 0 0 -4,-1.3 4,-1.8 -3,-0.3 3,-1.3 0.954 112.2 53.2 -69.6 -49.9 20.7 30.7 72.7 407 409 C E H >X S+ 0 0 25 -4,-3.5 4,-2.5 1,-0.3 3,-0.6 0.921 104.9 57.3 -49.8 -48.1 21.6 27.8 70.2 408 410 C K H 3< S+ 0 0 129 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.793 110.0 43.7 -53.0 -34.8 24.4 30.0 69.0 409 411 C L H S+ 0 0 59 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.872 112.8 47.9 -56.7 -38.8 30.6 26.2 71.0 413 415 C L H X S+ 0 0 4 -4,-0.5 4,-2.2 -3,-0.3 -2,-0.2 0.903 110.5 50.6 -67.3 -41.7 30.3 24.6 74.5 414 416 C L H X S+ 0 0 8 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.886 111.2 49.1 -62.8 -42.0 28.8 21.3 73.0 415 417 C D H X S+ 0 0 76 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.808 110.4 49.3 -66.5 -38.6 31.7 21.1 70.5 416 418 C V H X S+ 0 0 1 -4,-1.6 4,-2.7 -5,-0.2 -2,-0.2 0.917 114.0 47.2 -65.9 -44.1 34.4 21.6 73.1 417 419 C L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.888 111.5 50.1 -65.1 -42.4 32.8 18.9 75.3 418 420 C Q H X S+ 0 0 28 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.935 111.5 48.1 -62.5 -46.7 32.5 16.5 72.4 419 421 C K H X S+ 0 0 48 -4,-2.2 4,-3.3 1,-0.2 3,-0.4 0.961 111.0 51.7 -57.8 -52.1 36.2 17.1 71.5 420 422 C L H X S+ 0 0 11 -4,-2.7 4,-2.1 1,-0.3 5,-0.3 0.847 109.2 50.8 -50.8 -44.2 37.1 16.5 75.2 421 423 C C H X S+ 0 0 4 -4,-2.3 4,-1.5 2,-0.2 -1,-0.3 0.881 116.1 40.4 -63.4 -40.3 35.2 13.3 75.2 422 424 C K H < S+ 0 0 104 -4,-2.0 -2,-0.2 -3,-0.4 -3,-0.2 0.950 115.1 51.0 -72.3 -52.0 36.9 12.0 72.0 423 425 C I H < S+ 0 0 55 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.883 125.7 23.0 -52.1 -49.3 40.5 13.2 73.0 424 426 C H H < S+ 0 0 136 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.675 128.8 37.0 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77.5 435 437 C L H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.929 115.7 42.5 -61.4 -49.0 26.6 12.8 79.2 436 438 C L H X S+ 0 0 4 -4,-1.8 4,-0.6 1,-0.2 -2,-0.2 0.747 110.3 56.7 -68.4 -32.4 23.8 14.6 77.1 437 439 C G H >X S+ 0 0 2 -4,-2.2 4,-1.2 1,-0.2 3,-0.6 0.819 100.9 58.4 -68.2 -32.1 21.4 11.7 77.8 438 440 C R H 3X S+ 0 0 27 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.820 95.4 64.2 -65.8 -30.8 22.0 12.2 81.5 439 441 C L H 3X S+ 0 0 21 -4,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.823 99.3 52.9 -60.4 -32.7 20.7 15.8 81.0 440 442 C T H < S+ 0 0 57 -4,-2.2 3,-0.6 1,-0.2 4,-0.4 0.922 109.5 48.6 -53.9 -49.4 15.1 17.3 83.5 444 446 C T H >< S+ 0 0 84 -4,-2.0 3,-1.9 1,-0.2 4,-0.4 0.906 107.6 56.1 -56.6 -47.1 12.8 14.6 84.8 445 447 C F H >< S+ 0 0 18 -4,-2.2 3,-0.8 1,-0.3 -1,-0.2 0.806 100.1 59.2 -55.7 -35.3 14.3 14.9 88.3 446 448 C N G X< S+ 0 0 31 -4,-1.4 3,-1.0 -3,-0.6 -1,-0.3 0.548 84.5 82.9 -74.0 -8.9 13.5 18.7 88.3 447 449 C H G < S+ 0 0 106 -3,-1.9 3,-0.2 -4,-0.4 -1,-0.2 0.825 98.8 36.2 -65.0 -35.6 9.7 17.9 87.9 448 450 C H G <> S+ 0 0 92 -3,-0.8 4,-2.4 -4,-0.4 -1,-0.2 0.214 80.3 118.7-103.1 15.6 9.2 17.2 91.6 449 451 C H H <> S+ 0 0 22 -3,-1.0 4,-1.0 1,-0.2 -1,-0.1 0.791 77.2 48.6 -50.7 -41.7 11.7 19.9 93.0 450 452 C A H >> S+ 0 0 20 -4,-0.2 4,-2.7 -3,-0.2 3,-0.6 0.936 113.2 47.5 -65.1 -46.1 9.0 21.9 94.9 451 453 C E H 3> S+ 0 0 73 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.848 103.5 62.5 -64.6 -38.2 7.6 18.6 96.5 452 454 C M H 3< S+ 0 0 8 -4,-2.4 -92,-0.3 1,-0.2 -1,-0.2 0.849 113.2 35.5 -59.5 -35.1 11.1 17.5 97.5 453 455 C L H X< S+ 0 0 5 -4,-1.0 3,-1.1 -3,-0.6 -2,-0.2 0.904 118.0 51.1 -82.7 -45.1 11.4 20.6 99.7 454 456 C M H 3< S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.2 4,-0.2 0.813 109.6 50.5 -62.6 -32.0 7.7 20.7 100.8 455 457 C S T 3< S+ 0 0 39 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.491 76.6 129.0 -86.7 -1.4 7.8 17.0 101.9 456 458 C W S < S- 0 0 22 -3,-1.1 2,-2.3 -5,-0.2 -97,-0.2 -0.295 74.8-111.4 -53.5 128.2 10.9 17.5 104.0 457 459 C R S S+ 0 0 142 -99,-2.8 2,-0.3 2,-0.1 -1,-0.2 -0.459 79.5 113.9 -72.0 75.8 10.1 15.9 107.4 458 460 C V S S- 0 0 16 -2,-2.3 3,-0.1 -4,-0.2 -100,-0.0 -0.920 71.0-128.3-135.8 154.4 10.1 19.2 109.3 459 461 C N S S+ 0 0 161 -2,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.623 96.8 37.3 -79.4 -18.3 7.0 21.0 111.0 460 462 C D - 0 0 119 2,-0.1 2,-0.7 0, 0.0 -1,-0.2 -0.996 63.2-158.4-141.7 133.3 7.9 24.2 109.2 461 463 C H + 0 0 45 -2,-0.3 2,-0.5 -3,-0.1 13,-0.1 -0.760 20.2 179.5-112.6 79.7 9.2 24.9 105.7 462 464 C K - 0 0 161 -2,-0.7 2,-0.3 12,-0.0 -172,-0.1 -0.741 7.0-173.1 -84.6 127.1 10.8 28.4 105.9 463 465 C F - 0 0 28 -2,-0.5 -176,-0.0 -173,-0.0 -2,-0.0 -0.898 26.4-112.0-119.8 153.2 12.3 29.6 102.5 464 466 C T > - 0 0 42 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.483 32.2-115.9 -77.1 150.5 14.4 32.6 101.5 465 467 C P H > S+ 0 0 96 0, 0.0 4,-1.4 0, 0.0 15,-0.2 0.838 116.5 54.0 -53.5 -31.1 12.6 35.1 99.2 466 468 C L H > S+ 0 0 11 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.960 109.2 42.4 -69.3 -55.2 15.3 34.1 96.6 467 469 C L H > S+ 0 0 1 1,-0.2 4,-3.4 2,-0.2 6,-0.3 0.742 108.3 62.6 -69.7 -14.4 14.8 30.4 96.6 468 470 C C H X>S+ 0 0 27 -4,-1.8 4,-1.2 2,-0.2 5,-0.9 0.936 107.4 44.1 -66.3 -45.5 11.0 31.0 96.7 469 471 C E H <5S+ 0 0 33 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.776 123.4 36.5 -64.1 -39.9 11.5 32.7 93.3 470 472 C I H <5S+ 0 0 2 -4,-1.5 -143,-0.3 1,-0.1 -2,-0.2 0.818 122.8 38.5 -87.1 -41.1 13.8 29.9 92.0 471 473 C W H <5S- 0 0 8 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.516 101.9-122.1 -92.0 -8.4 12.3 26.7 93.6 472 474 C D T <5 + 0 0 86 -4,-1.2 2,-0.2 -5,-0.3 -3,-0.2 0.935 65.3 137.6 65.2 45.6 8.6 27.7 93.1 473 475 C V < 0 0 13 -5,-0.9 -1,-0.2 -6,-0.3 -2,-0.1 -0.691 360.0 360.0-115.4 168.3 7.9 27.4 96.9 474 476 C Q 0 0 125 -2,-0.2 -12,-0.0 -13,-0.1 0, 0.0 0.332 360.0 360.0 82.7 360.0 5.9 29.7 99.3 475 !* 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 0.0 476 744 D K 0 0 196 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-126.6 7.0 41.4 89.9 477 745 D D - 0 0 59 1,-0.2 2,-0.0 2,-0.1 0, 0.0 0.935 360.0 -18.5 -64.0 -52.7 7.5 38.0 88.1 478 746 D H S > S+ 0 0 41 1,-0.0 4,-2.5 2,-0.0 5,-0.2 -0.499 73.4 170.2-158.3 71.9 10.9 37.3 89.7 479 747 D Q H > S+ 0 0 126 2,-0.2 4,-2.6 -3,-0.2 5,-0.1 0.815 75.6 51.2 -64.7 -32.8 12.4 40.5 91.0 480 748 D L H > S+ 0 0 61 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.956 114.6 44.1 -69.0 -44.4 15.3 39.1 93.0 481 749 D L H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.927 115.4 47.8 -61.4 -48.8 16.5 37.1 90.0 482 750 D R H X S+ 0 0 48 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.908 112.4 52.5 -59.3 -40.3 15.9 40.1 87.7 483 751 D Y H >X S+ 0 0 147 -4,-2.6 4,-2.7 1,-0.2 3,-0.6 0.937 110.3 44.6 -59.1 -54.5 17.9 42.1 90.3 484 752 D L H 3< S+ 0 0 24 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.731 112.5 54.9 -63.3 -25.1 20.9 39.8 90.4 485 753 D L H 3< S+ 0 0 3 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.740 117.4 33.4 -77.4 -28.8 20.8 39.7 86.6 486 754 D D H << S+ 0 0 81 -4,-1.3 -2,-0.2 -3,-0.6 -3,-0.1 0.815 92.7 105.1 -96.0 -40.2 21.0 43.5 86.2 487 755 D K < 0 0 59 -4,-2.7 -4,-0.0 -5,-0.2 -3,-0.0 -0.021 360.0 360.0 -48.9 145.2 23.2 44.6 89.2 488 756 D D 0 0 170 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 0.567 360.0 360.0 116.7 360.0 26.9 45.7 88.7