==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE RECEPTOR 28-NOV-11 3UUD . COMPND 2 MOLECULE: ESTROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.DELFOSSE,M.GRIMALDI,W.BOURGUET . 499 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20814.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 73.5 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 . 12 2.4 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 . 2 0.4 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-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 . 60 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 56.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 2 0 1 1 0 0 2 0 1 1 0 0 1 0 1 2 2 0 0 0 0 0 2 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 2 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 . 2 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 1 305 A S 0 0 83 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 119.2 -7.1 -10.5 -6.0 2 306 A L > + 0 0 77 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.842 360.0 68.3 -63.9 -33.2 -8.5 -7.8 -3.8 3 307 A A G > S+ 0 0 7 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.871 98.4 47.9 -54.3 -42.1 -5.5 -5.6 -4.8 4 308 A L G 3 S+ 0 0 71 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.535 105.7 60.6 -81.1 -4.3 -6.7 -5.3 -8.4 5 309 A S G < S+ 0 0 87 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 0.354 79.5 112.7-102.8 4.0 -10.2 -4.4 -7.3 6 310 A L < - 0 0 34 -3,-1.0 2,-0.1 -4,-0.3 -3,-0.0 -0.573 62.0-134.4 -80.4 137.0 -9.2 -1.2 -5.4 7 311 A T > - 0 0 74 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.350 34.0-101.4 -72.0 168.2 -10.2 2.2 -6.6 8 312 A A H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.908 124.6 51.6 -59.6 -42.7 -7.6 4.9 -6.6 9 313 A D H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.914 110.5 48.6 -61.7 -41.0 -8.9 6.4 -3.4 10 314 A Q H > S+ 0 0 97 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.855 109.1 52.9 -67.9 -36.1 -8.8 3.0 -1.7 11 315 A M H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.953 110.1 48.2 -62.4 -49.5 -5.3 2.4 -2.9 12 316 A V H X S+ 0 0 12 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.929 112.2 48.9 -55.2 -49.1 -4.2 5.7 -1.4 13 317 A S H X S+ 0 0 63 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.910 110.6 50.8 -58.6 -43.6 -5.9 4.9 1.9 14 318 A A H X S+ 0 0 29 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.920 113.1 45.0 -61.7 -44.4 -4.4 1.5 2.1 15 319 A L H < S+ 0 0 1 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.908 113.1 49.4 -69.8 -42.3 -0.9 2.8 1.5 16 320 A L H >< S+ 0 0 70 -4,-2.7 3,-1.2 1,-0.2 -1,-0.2 0.923 111.6 50.1 -60.7 -42.8 -1.3 5.7 4.0 17 321 A D H 3< S+ 0 0 112 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.805 105.9 56.9 -65.2 -28.7 -2.6 3.3 6.6 18 322 A A T 3< S+ 0 0 4 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.533 76.9 130.7 -81.7 -6.2 0.4 1.0 6.1 19 323 A E < - 0 0 66 -3,-1.2 -3,-0.0 -4,-0.5 123,-0.0 -0.202 55.0-129.7 -56.9 131.9 3.0 3.6 6.9 20 324 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.331 29.7 -97.7 -73.0 163.3 5.7 2.6 9.4 21 325 A P - 0 0 72 0, 0.0 2,-0.7 0, 0.0 31,-0.1 -0.314 32.1-106.3 -78.8 165.0 6.6 4.8 12.3 22 326 A I - 0 0 99 -2,-0.1 2,-0.2 68,-0.0 79,-0.1 -0.839 42.4-149.5 -89.9 114.7 9.5 7.2 12.6 23 327 A L - 0 0 30 -2,-0.7 2,-0.3 77,-0.2 22,-0.0 -0.494 4.9-124.8 -87.5 157.9 12.1 5.6 14.9 24 328 A Y - 0 0 142 77,-0.2 2,-0.2 -2,-0.2 -1,-0.1 -0.676 20.3-129.7 -95.3 153.0 14.6 7.3 17.2 25 329 A S - 0 0 9 -2,-0.3 17,-0.1 1,-0.1 16,-0.1 -0.470 20.6-117.5 -92.1 170.8 18.3 6.7 17.2 26 330 A E + 0 0 129 15,-0.2 -1,-0.1 -2,-0.2 15,-0.0 0.212 59.4 154.8 -89.0 14.7 20.5 5.9 20.2 27 331 A Y - 0 0 67 1,-0.1 -2,-0.1 14,-0.1 11,-0.0 -0.149 26.9-167.5 -51.7 127.3 22.3 9.1 19.6 28 332 A D > - 0 0 75 3,-0.2 3,-1.9 1,-0.1 -1,-0.1 -0.957 12.3-154.1-118.7 107.9 24.0 10.5 22.8 29 333 A P T 3 S+ 0 0 98 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.604 92.8 62.3 -60.0 -12.0 25.1 14.1 22.2 30 334 A T T 3 S+ 0 0 114 2,-0.1 -3,-0.0 1,-0.1 0, 0.0 0.777 83.8 85.7 -84.3 -27.0 27.7 13.6 24.9 31 335 A R S < S- 0 0 152 -3,-1.9 -3,-0.2 1,-0.1 3,-0.1 -0.649 84.7-126.4 -79.3 110.9 29.6 10.8 23.0 32 336 A P - 0 0 113 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 -0.269 33.5-105.9 -53.1 136.7 32.1 12.4 20.6 33 337 A F + 0 0 58 -4,-0.1 2,-0.3 4,-0.1 3,-0.1 -0.332 42.7 172.4 -65.5 146.2 31.5 11.1 17.0 34 338 A S > - 0 0 50 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.903 47.9-103.9-138.8 170.4 33.9 8.6 15.5 35 339 A E H > S+ 0 0 64 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.946 123.1 47.6 -58.4 -47.1 33.7 6.7 12.2 36 340 A A H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 112.8 46.4 -61.5 -45.0 32.8 3.6 14.2 37 341 A S H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.884 112.4 50.0 -71.3 -36.3 30.1 5.2 16.3 38 342 A M H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.946 113.0 45.4 -65.9 -47.0 28.5 7.0 13.4 39 343 A M H X S+ 0 0 7 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.880 111.5 56.4 -61.7 -36.4 28.3 3.8 11.4 40 344 A G H X S+ 0 0 25 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.933 108.2 45.4 -56.1 -48.8 27.0 2.2 14.6 41 345 A L H X S+ 0 0 22 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.922 115.3 46.1 -64.8 -46.0 24.2 4.7 14.9 42 346 A L H X S+ 0 0 22 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.898 116.8 43.1 -66.5 -41.1 23.1 4.5 11.3 43 347 A T H X S+ 0 0 16 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.852 112.0 53.1 -77.5 -33.4 23.3 0.6 11.0 44 348 A N H X S+ 0 0 47 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.936 113.0 46.4 -59.5 -44.5 21.5 0.1 14.4 45 349 A L H X S+ 0 0 3 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.943 111.2 50.3 -63.8 -48.9 18.8 2.4 13.1 46 350 A A H X S+ 0 0 13 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.905 108.0 54.5 -56.9 -41.1 18.6 0.6 9.8 47 351 A D H X S+ 0 0 41 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.930 110.6 44.2 -62.6 -44.9 18.3 -2.7 11.5 48 352 A R H X S+ 0 0 72 -4,-1.9 4,-1.1 1,-0.2 3,-0.3 0.887 112.6 52.9 -66.3 -38.1 15.3 -1.6 13.6 49 353 A E H X S+ 0 0 36 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.837 99.4 64.2 -63.8 -32.9 13.7 -0.0 10.6 50 354 A L H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.877 97.8 54.8 -61.5 -36.5 14.0 -3.2 8.6 51 355 A V H X S+ 0 0 61 -4,-1.0 4,-1.5 -3,-0.3 -1,-0.2 0.936 111.4 43.7 -63.2 -43.8 11.7 -5.0 11.0 52 356 A H H X S+ 0 0 77 -4,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.832 110.2 57.5 -67.5 -32.9 9.0 -2.4 10.4 53 357 A M H X S+ 0 0 11 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.895 103.4 53.0 -62.9 -41.9 9.7 -2.4 6.7 54 358 A I H X S+ 0 0 5 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.916 111.8 44.7 -61.1 -42.3 9.0 -6.2 6.5 55 359 A N H < S+ 0 0 72 -4,-1.5 4,-0.4 1,-0.2 -1,-0.2 0.842 111.4 53.6 -77.3 -25.9 5.6 -5.7 8.2 56 360 A W H >< S+ 0 0 7 -4,-2.1 3,-1.7 1,-0.2 4,-0.4 0.918 103.9 56.5 -64.8 -45.3 4.8 -2.6 6.0 57 361 A A H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.3 6,-0.2 0.892 98.5 61.1 -57.0 -39.9 5.5 -4.7 2.8 58 362 A K T 3< S+ 0 0 48 -4,-1.4 6,-0.4 1,-0.3 -1,-0.3 0.732 104.6 50.7 -58.9 -22.2 2.9 -7.2 3.9 59 363 A R T < S+ 0 0 143 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.423 80.0 105.9 -98.9 -0.8 0.3 -4.4 3.8 60 364 A V S X S- 0 0 3 -3,-1.8 3,-2.3 -4,-0.4 4,-0.4 -0.709 87.7-103.4 -77.0 121.4 1.1 -3.1 0.3 61 365 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.181 103.6 15.0 -51.3 132.6 -1.8 -4.4 -1.8 62 366 A G T > S+ 0 0 8 -4,-0.1 3,-1.0 4,-0.0 4,-0.4 0.069 96.7 103.0 94.7 -24.3 -0.8 -7.3 -3.9 63 367 A F G X S+ 0 0 0 -3,-2.3 3,-1.5 1,-0.3 -5,-0.1 0.923 80.4 46.4 -63.4 -46.4 2.4 -8.1 -2.0 64 368 A V G 3 S+ 0 0 83 -4,-0.4 -1,-0.3 -6,-0.4 -6,-0.1 0.481 96.8 73.8 -79.5 1.2 1.2 -11.1 -0.0 65 369 A D G < S+ 0 0 90 -3,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.641 85.9 86.8 -77.3 -18.1 -0.4 -12.6 -3.2 66 370 A L S < S- 0 0 12 -3,-1.5 100,-0.0 -4,-0.4 -4,-0.0 -0.434 94.3 -96.5 -78.0 154.8 3.2 -13.4 -4.2 67 371 A T > - 0 0 78 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.306 36.1-110.9 -62.1 157.3 5.0 -16.6 -3.2 68 372 A L H > S+ 0 0 36 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.907 119.1 53.8 -58.5 -44.7 7.2 -16.3 -0.1 69 373 A H H > S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.867 109.2 48.8 -58.7 -36.2 10.4 -16.7 -2.2 70 374 A D H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.898 109.7 51.3 -72.0 -38.3 9.2 -13.9 -4.5 71 375 A Q H X S+ 0 0 15 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.924 110.0 50.6 -61.0 -44.6 8.5 -11.6 -1.5 72 376 A V H X S+ 0 0 6 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.930 110.1 49.8 -59.0 -46.5 12.0 -12.4 -0.2 73 377 A H H X S+ 0 0 43 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.921 109.7 50.0 -60.8 -44.9 13.6 -11.5 -3.5 74 378 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.917 113.9 44.5 -63.4 -43.5 11.7 -8.2 -3.8 75 379 A L H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.892 111.1 54.0 -68.4 -39.8 12.7 -7.0 -0.3 76 380 A E H < S+ 0 0 21 -4,-2.6 4,-0.2 -5,-0.2 -1,-0.2 0.894 114.5 41.8 -58.1 -39.2 16.3 -8.2 -0.7 77 381 A X H < S+ 0 0 16 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.903 124.5 33.7 -75.9 -37.5 16.6 -6.1 -3.9 78 382 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.521 82.6 100.8 -97.9 -11.4 14.8 -3.0 -2.7 79 383 A W H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.831 87.8 42.3 -55.4 -40.1 15.5 -2.6 1.1 80 384 A L H > S+ 0 0 23 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.894 113.0 52.7 -76.3 -36.8 18.2 0.1 0.8 81 385 A E H > S+ 0 0 1 -4,-0.3 4,-2.7 2,-0.2 5,-0.2 0.906 110.9 49.6 -58.2 -40.7 16.3 2.1 -1.8 82 386 A I H X S+ 0 0 9 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.908 110.9 47.4 -68.5 -43.1 13.3 2.0 0.5 83 387 A L H X S+ 0 0 19 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.909 114.0 50.2 -59.3 -41.6 15.3 3.2 3.5 84 388 A M H X S+ 0 0 15 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.913 108.3 48.9 -67.2 -43.7 16.8 6.0 1.3 85 389 A I H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.916 111.9 51.3 -67.2 -34.8 13.5 7.3 -0.1 86 390 A G H X S+ 0 0 9 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.922 110.3 48.5 -63.1 -43.6 12.1 7.4 3.4 87 391 A L H X S+ 0 0 7 -4,-2.1 4,-1.4 2,-0.2 12,-0.5 0.919 111.2 49.7 -60.7 -45.4 15.1 9.3 4.6 88 392 A V H X S+ 0 0 2 -4,-2.6 4,-0.5 1,-0.2 3,-0.2 0.924 110.9 50.4 -62.6 -41.4 14.9 11.8 1.7 89 393 A W H >< S+ 0 0 75 -4,-2.5 3,-1.3 1,-0.2 4,-0.3 0.942 110.3 48.6 -59.3 -49.8 11.2 12.3 2.5 90 394 A R H 3< S+ 0 0 42 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.765 113.9 49.2 -60.6 -25.3 11.8 13.0 6.2 91 395 A S H >< S+ 0 0 0 -4,-1.4 3,-2.4 -3,-0.2 6,-0.3 0.475 78.9 100.7 -94.1 -6.1 14.5 15.4 5.2 92 396 A M T << S+ 0 0 26 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.1 0.829 85.4 44.9 -54.3 -38.3 12.5 17.4 2.7 93 397 A E T 3 S+ 0 0 85 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.252 102.4 71.3 -91.9 11.3 11.8 20.3 5.1 94 398 A H S X S- 0 0 68 -3,-2.4 3,-2.3 3,-0.2 -1,-0.2 -0.636 77.7-152.3-125.8 74.9 15.4 20.5 6.4 95 399 A P T 3 S+ 0 0 84 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.174 79.2 10.7 -52.1 130.7 17.5 21.9 3.6 96 400 A G T 3 S+ 0 0 43 1,-0.2 12,-0.6 29,-0.2 2,-0.3 0.441 114.1 87.8 83.0 -0.4 21.1 20.8 3.8 97 401 A K E < -A 107 0A 92 -3,-2.3 2,-0.5 -6,-0.3 10,-0.2 -0.927 66.3-137.2-129.5 156.3 20.5 18.1 6.4 98 402 A L E -A 106 0A 0 8,-3.1 8,-2.4 -2,-0.3 2,-1.4 -0.966 13.7-149.3-112.0 121.2 19.5 14.5 6.5 99 403 A L E +A 105 0A 23 -2,-0.5 6,-0.2 -12,-0.5 -9,-0.1 -0.661 27.2 165.0 -91.9 81.8 16.9 13.6 9.2 100 404 A F E S- 0 0 26 -2,-1.4 -1,-0.2 4,-1.4 5,-0.2 0.921 77.5 -13.9 -62.6 -41.7 17.9 10.0 10.0 101 405 A A E > S-A 104 0A 0 3,-1.6 3,-2.0 -3,-0.2 -1,-0.2 -0.944 78.2 -97.3-149.8 166.6 15.8 10.3 13.1 102 406 A P T 3 S+ 0 0 61 0, 0.0 3,-0.1 0, 0.0 -78,-0.1 0.804 129.5 40.1 -60.8 -25.2 14.2 13.2 15.0 103 407 A N T 3 S+ 0 0 53 1,-0.2 2,-0.3 -4,-0.0 -79,-0.1 0.201 111.9 61.7-103.8 12.5 17.2 13.1 17.3 104 408 A L E < +A 101 0A 2 -3,-2.0 -3,-1.6 2,-0.0 -4,-1.4 -0.728 57.3 159.5-141.6 88.2 19.8 12.5 14.6 105 409 A L E -A 99 0A 60 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.962 18.9-172.8-113.2 116.4 20.0 15.3 12.0 106 410 A L E -A 98 0A 2 -8,-2.4 -8,-3.1 -2,-0.6 2,-0.2 -0.872 12.1-154.6-117.1 143.4 23.3 15.3 10.1 107 411 A D E >> -A 97 0A 51 -2,-0.4 4,-1.2 -10,-0.2 3,-0.6 -0.578 39.8 -95.3-105.8 175.1 24.8 17.7 7.6 108 412 A R H 3> S+ 0 0 92 -12,-0.6 4,-0.8 1,-0.2 3,-0.3 0.862 121.7 59.3 -62.0 -34.9 27.4 16.9 4.8 109 413 A N H >4 S+ 0 0 100 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.891 104.4 50.9 -59.9 -38.1 30.3 18.0 7.0 110 414 A Q H X4 S+ 0 0 63 -3,-0.6 3,-1.6 1,-0.2 -1,-0.2 0.794 99.0 66.2 -70.1 -27.8 29.3 15.3 9.6 111 415 A G H >< S+ 0 0 0 -4,-1.2 3,-1.6 -3,-0.3 6,-0.3 0.761 86.1 71.1 -62.2 -24.1 29.2 12.8 6.8 112 416 A K T << S+ 0 0 119 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.621 76.2 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30.7 -4.4 -36.8 270 329 B S - 0 0 12 -2,-0.3 -1,-0.1 1,-0.2 2,-0.1 -0.238 52.6 -53.5 -91.7-167.3 33.1 -6.5 -34.8 271 330 B E - 0 0 52 1,-0.1 -1,-0.2 -2,-0.1 15,-0.0 -0.361 40.0-136.7 -71.2 151.0 36.0 -8.5 -36.2 272 331 B Y + 0 0 225 -3,-0.1 -1,-0.1 -2,-0.1 77,-0.0 0.450 65.8 120.6 -89.7 -0.4 35.4 -11.0 -39.0 273 332 B D - 0 0 68 1,-0.1 -2,-0.1 2,-0.0 -3,-0.0 -0.527 50.2-160.3 -66.4 115.8 37.6 -13.7 -37.5 274 333 B P + 0 0 125 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.153 36.4 145.5 -89.0 20.3 35.3 -16.7 -36.9 275 334 B T - 0 0 113 2,-0.0 -2,-0.0 1,-0.0 0, 0.0 -0.429 39.8-134.6 -63.6 119.1 37.6 -18.3 -34.3 276 335 B R + 0 0 81 -2,-0.3 2,-0.1 2,-0.1 3,-0.0 -0.946 65.9 33.3-132.3 153.4 35.4 -20.1 -31.7 277 336 B P S S- 0 0 108 0, 0.0 2,-0.1 0, 0.0 78,-0.0 0.651 79.6-131.2 -79.6 174.6 35.1 -20.6 -28.9 278 337 B F - 0 0 38 -2,-0.1 2,-0.2 4,-0.0 -2,-0.1 -0.358 9.9-139.6 -78.4 163.0 36.2 -17.3 -27.3 279 338 B S > - 0 0 61 -2,-0.1 4,-2.5 1,-0.1 5,-0.3 -0.711 32.8-102.7-108.0 172.2 38.6 -16.9 -24.4 280 339 B E H > S+ 0 0 60 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.946 123.7 43.6 -60.0 -45.8 38.0 -14.4 -21.5 281 340 B A H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 114.2 48.4 -67.0 -42.5 40.7 -12.1 -23.0 282 341 B S H > S+ 0 0 51 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 114.6 45.9 -69.3 -36.9 39.5 -12.4 -26.7 283 342 B M H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.954 114.2 46.5 -68.8 -47.5 35.8 -11.8 -25.7 284 343 B M H X S+ 0 0 8 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.860 111.3 55.9 -62.9 -30.9 36.6 -8.8 -23.5 285 344 B G H X S+ 0 0 21 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.940 109.4 43.2 -63.7 -47.6 38.9 -7.6 -26.3 286 345 B L H X S+ 0 0 40 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.915 115.2 49.4 -66.2 -42.5 36.1 -7.6 -28.9 287 346 B L H X S+ 0 0 22 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.903 115.1 42.4 -66.5 -41.9 33.5 -6.1 -26.6 288 347 B T H X S+ 0 0 11 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.840 112.0 53.8 -74.9 -32.9 35.8 -3.2 -25.4 289 348 B N H X S+ 0 0 87 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.925 112.8 45.6 -62.6 -42.1 37.1 -2.5 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21.6 -27.3 310 369 B D G < S+ 0 0 86 -3,-0.8 -1,-0.3 2,-0.1 -2,-0.2 0.599 85.8 86.9 -80.6 -11.8 22.7 24.5 -25.5 311 370 B L S < S- 0 0 18 -3,-1.7 -4,-0.0 -4,-0.3 -3,-0.0 -0.495 93.0 -97.7 -81.6 156.2 24.5 23.3 -22.4 312 371 B T > - 0 0 83 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.294 36.1-108.6 -63.8 159.2 28.0 24.3 -21.4 313 372 B L H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.907 120.4 56.1 -55.9 -44.1 30.8 22.0 -22.4 314 373 B H H > S+ 0 0 146 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 108.6 46.1 -56.5 -43.4 31.3 21.1 -18.7 315 374 B D H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.862 111.1 52.4 -70.0 -36.1 27.6 20.0 -18.4 316 375 B Q H X S+ 0 0 16 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.935 110.2 48.9 -62.6 -45.9 27.8 18.0 -21.7 317 376 B V H X S+ 0 0 6 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.938 110.3 51.4 -59.3 -48.5 30.9 16.2 -20.4 318 377 B H H X S+ 0 0 49 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.928 109.8 48.2 -55.5 -49.2 29.2 15.4 -17.1 319 378 B L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.920 114.4 45.6 -62.4 -43.6 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507 B L H X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 3,-0.3 0.921 112.4 48.9 -64.8 -44.8 9.0 2.4 -19.9 440 508 B L H X S+ 0 0 2 -4,-2.4 4,-0.6 -5,-0.2 3,-0.4 0.852 106.3 57.4 -67.7 -31.9 10.4 4.8 -17.3 441 509 B L H >X S+ 0 0 8 -4,-2.4 3,-0.9 1,-0.2 4,-0.9 0.837 98.9 60.0 -65.7 -31.2 10.6 2.0 -14.7 442 510 B I H 3X S+ 0 0 0 -4,-1.2 4,-2.2 -3,-0.3 3,-0.4 0.833 93.0 67.2 -64.2 -28.0 12.8 -0.0 -17.0 443 511 B L H 3X S+ 0 0 2 -4,-0.9 4,-2.3 -3,-0.4 -1,-0.2 0.824 93.6 58.7 -62.2 -29.7 15.3 2.9 -16.9 444 512 B S H S+ 0 0 4 -4,-1.9 5,-1.9 2,-0.2 4,-0.7 0.900 109.1 50.7 -65.6 -40.7 38.9 -6.2 -15.8 461 529 B K H ><5S+ 0 0 90 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.930 111.5 48.4 -58.8 -45.7 41.1 -3.1 -15.9 462 530 B C H 3<5S+ 0 0 82 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.815 109.6 51.1 -67.7 -31.2 42.6 -4.1 -12.6 463 531 B K H 3<5S- 0 0 68 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.593 105.8-129.6 -81.7 -8.8 43.3 -7.7 -13.7 464 532 B N T <<5 + 0 0 131 -3,-0.8 -3,-0.2 -4,-0.7 -2,-0.1 0.839 52.1 157.1 60.9 34.0 45.0 -6.4 -16.8 465 533 B V < - 0 0 30 -5,-1.9 -4,-0.1 -6,-0.2 -180,-0.1 0.925 65.1 -15.4 -53.7 -49.4 42.8 -8.7 -18.7 466 534 B V S S- 0 0 23 -6,-0.4 2,-0.5 -182,-0.1 -1,-0.2 -0.946 79.3 -83.4-151.0 169.3 43.1 -6.6 -21.9 467 535 B P - 0 0 117 0, 0.0 2,-0.4 0, 0.0 -6,-0.0 -0.693 41.4-156.3 -83.1 121.6 44.2 -3.2 -23.2 468 536 B L - 0 0 22 -2,-0.5 -179,-0.1 1,-0.1 5,-0.0 -0.796 22.8-106.3-100.3 140.7 41.5 -0.6 -22.9 469 537 B S > - 0 0 35 -2,-0.4 4,-2.6 -181,-0.2 5,-0.2 -0.159 26.5-117.0 -60.3 154.7 41.4 2.5 -25.0 470 538 B D H > S+ 0 0 109 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.891 117.4 51.7 -58.4 -39.9 42.4 5.9 -23.4 471 539 B L H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 110.2 47.4 -61.5 -48.0 38.8 7.1 -24.1 472 540 B L H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.912 111.5 51.9 -61.8 -41.8 37.3 4.1 -22.5 473 541 B L H X S+ 0 0 47 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.895 109.2 49.8 -60.9 -42.0 39.6 4.5 -19.5 474 542 B E H X S+ 0 0 60 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.897 110.8 48.8 -65.3 -38.1 38.6 8.1 -19.1 475 543 B M H < S+ 0 0 2 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.878 114.9 45.6 -69.3 -36.3 34.9 7.3 -19.2 476 544 B L H >< S+ 0 0 4 -4,-2.2 3,-1.7 1,-0.2 5,-0.4 0.897 107.9 57.4 -70.0 -42.1 35.4 4.5 -16.6 477 545 B D H >< S+ 0 0 63 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.731 91.8 71.2 -63.7 -21.8 37.6 6.8 -14.5 478 546 B A T 3< S+ 0 0 41 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.731 90.4 61.5 -65.2 -20.8 34.8 9.3 -14.2 479 547 B H T < S- 0 0 23 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.558 99.0-138.6 -89.9 -7.9 32.9 6.9 -12.0 480 548 B R < + 0 0 78 -3,-1.2 -3,-0.1 -4,-0.3 -2,-0.1 0.812 44.7 155.3 64.0 37.2 35.6 6.9 -9.3 481 549 B L 0 0 36 -5,-0.4 -1,-0.1 1,-0.3 -4,-0.1 0.568 360.0 360.0 -71.4 -8.3 35.6 3.2 -8.5 482 550 B H 0 0 110 -5,-0.2 -1,-0.3 0, 0.0 -2,-0.1 -0.178 360.0 360.0-104.3 360.0 39.2 3.7 -7.3 483 !* 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 0.0 484 688 C K > 0 0 140 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 153.5 16.9 -16.9 6.2 485 689 C I H > + 0 0 40 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.904 360.0 53.9 -61.4 -43.3 15.8 -14.4 8.9 486 690 C L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 106.7 51.2 -58.0 -44.7 13.9 -12.4 6.2 487 691 C H H > S+ 0 0 51 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.923 112.3 47.1 -58.5 -45.0 12.0 -15.5 5.2 488 692 C R H >X S+ 0 0 126 -4,-2.0 4,-2.8 1,-0.2 3,-1.1 0.919 110.9 49.6 -64.3 -45.2 11.0 -16.2 8.8 489 693 C L H 3< S+ 0 0 20 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.840 105.4 57.8 -65.8 -32.3 9.9 -12.6 9.6 490 694 C L H 3< S+ 0 0 13 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.682 114.4 40.4 -69.4 -17.8 7.8 -12.7 6.4 491 695 C Q H << 0 0 133 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.791 360.0 360.0 -93.1 -40.1 6.1 -15.7 8.0 492 696 C E < 0 0 136 -4,-2.8 -3,-0.0 -5,-0.1 -4,-0.0 -0.149 360.0 360.0 -47.2 360.0 5.9 -14.5 11.7 493 !* 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 0.0 494 686 D R 0 0 118 0, 0.0 2,-0.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 141.1 41.9 19.0 -17.8 495 687 D H + 0 0 149 4,-0.0 2,-0.4 3,-0.0 3,-0.1 -0.731 360.0 168.4 -79.3 127.2 42.8 17.3 -21.1 496 688 D K > - 0 0 59 -2,-0.5 4,-1.6 1,-0.1 3,-0.4 -0.997 43.2-139.1-140.2 138.4 40.1 14.8 -22.0 497 689 D I H > S+ 0 0 26 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.886 108.9 62.6 -59.2 -35.4 39.5 12.9 -25.2 498 690 D L H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.894 100.3 52.3 -57.1 -40.2 35.8 13.6 -24.5 499 691 D H H > S+ 0 0 33 -3,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.932 109.8 48.2 -58.2 -48.1 36.6 17.4 -24.8 500 692 D R H X S+ 0 0 146 -4,-1.6 4,-0.7 1,-0.2 3,-0.4 0.923 113.3 46.8 -61.7 -45.2 38.2 16.9 -28.1 501 693 D L H >< S+ 0 0 27 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.909 110.6 51.9 -64.9 -43.1 35.4 14.8 -29.5 502 694 D L H 3< S+ 0 0 11 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.718 111.0 49.3 -66.1 -20.8 32.7 17.2 -28.2 503 695 D Q H 3< 0 0 139 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.531 360.0 360.0 -98.3 -7.1 34.5 20.1 -29.9 504 696 D E << 0 0 108 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.1 0.922 360.0 360.0 -61.6 360.0 34.9 18.5 -33.3