==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 05-JUN-07 2Q6J . COMPND 2 MOLECULE: ESTROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.ZHOU,K.W.NETTLES,J.B.BRUNING,Y.KIM,A.JOACHIMIAK,S.SHARMA, . 495 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21268.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 76.8 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 . 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 . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 281 56.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 1 0 0 2 1 1 0 1 0 0 1 0 1 0 2 0 0 0 0 3 2 0 0 0 1 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 1 306 A L 0 0 146 0, 0.0 3,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.1 1.9 20.3 -0.4 2 307 A A > + 0 0 21 1,-0.2 3,-0.8 2,-0.1 8,-0.0 0.345 360.0 93.2 -97.4 5.4 1.5 16.6 -1.2 3 308 A L T 3 S+ 0 0 41 1,-0.3 2,-0.6 58,-0.0 -1,-0.2 0.858 71.0 75.7 -58.8 -35.0 -1.7 16.3 0.9 4 309 A S T 3 S+ 0 0 115 -3,-0.4 2,-0.4 2,-0.0 -1,-0.3 0.106 75.7 108.4 -69.5 22.5 -3.6 17.0 -2.3 5 310 A L < - 0 0 41 -3,-0.8 2,-0.1 -2,-0.6 -3,-0.0 -0.810 65.0-131.9-104.7 142.4 -3.0 13.5 -3.6 6 311 A T > - 0 0 75 -2,-0.4 4,-2.4 1,-0.1 5,-0.1 -0.409 35.7-102.6 -75.7 168.1 -5.5 10.7 -3.9 7 312 A A H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.916 124.3 52.5 -55.9 -46.0 -4.6 7.3 -2.6 8 313 A D H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.947 109.3 48.5 -57.6 -50.9 -3.9 6.1 -6.1 9 314 A Q H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.849 108.8 54.6 -58.0 -39.9 -1.6 9.1 -6.8 10 315 A M H X S+ 0 0 3 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.942 110.6 45.7 -56.2 -49.8 0.2 8.3 -3.5 11 316 A V H >X S+ 0 0 14 -4,-2.4 4,-2.9 1,-0.2 3,-1.2 0.955 112.4 48.7 -58.5 -55.8 0.8 4.7 -4.5 12 317 A S H 3X S+ 0 0 78 -4,-2.5 4,-1.8 1,-0.3 -1,-0.2 0.879 109.9 51.5 -54.1 -44.9 2.1 5.5 -8.1 13 318 A A H 3< S+ 0 0 29 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.643 114.7 44.9 -70.7 -16.6 4.5 8.2 -6.9 14 319 A L H XX S+ 0 0 2 -3,-1.2 4,-0.7 -4,-0.7 3,-0.5 0.824 110.1 51.9 -91.5 -40.3 5.9 5.7 -4.4 15 320 A L H 3< S+ 0 0 72 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.785 117.2 40.1 -66.7 -27.4 6.1 2.7 -6.8 16 321 A D T 3< S+ 0 0 93 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.395 105.6 64.2-104.6 2.1 8.0 4.8 -9.3 17 322 A A T <4 S+ 0 0 6 -3,-0.5 -2,-0.2 -5,-0.2 -1,-0.2 0.608 80.8 128.3 -84.3 -16.8 10.1 6.6 -6.6 18 323 A E < - 0 0 60 -4,-0.7 -3,-0.1 1,-0.1 34,-0.0 -0.003 59.7-124.6 -46.7 137.3 11.5 3.1 -5.9 19 324 A P - 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.326 30.3 -99.0 -73.9 162.7 15.3 2.7 -5.8 20 325 A P - 0 0 73 0, 0.0 2,-0.3 0, 0.0 31,-0.1 -0.647 32.1-110.9 -84.9 143.0 17.1 0.1 -8.1 21 326 A I - 0 0 106 -2,-0.3 2,-0.2 1,-0.0 79,-0.1 -0.568 41.0-150.1 -67.3 128.1 18.3 -3.3 -6.8 22 327 A L - 0 0 31 -2,-0.3 2,-0.3 77,-0.3 22,-0.0 -0.558 4.2-123.2 -99.1 164.9 22.1 -3.2 -6.7 23 328 A Y - 0 0 141 -2,-0.2 2,-0.1 77,-0.2 3,-0.1 -0.848 20.3-123.7-107.7 148.9 24.7 -6.0 -7.1 24 329 A S - 0 0 6 -2,-0.3 2,-0.5 1,-0.1 17,-0.1 -0.483 48.7 -77.3 -81.0 153.5 27.4 -7.0 -4.7 25 330 A E S S- 0 0 86 15,-0.2 -1,-0.1 -2,-0.1 19,-0.1 -0.411 70.5-148.8 -48.0 105.3 31.1 -7.1 -5.6 26 331 A Y + 0 0 183 -2,-0.5 -1,-0.1 1,-0.1 77,-0.0 0.638 60.9 40.0 -68.4-141.2 30.8 -10.3 -7.5 27 332 A D S S- 0 0 111 1,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.397 74.3-151.9 -14.9 92.2 33.1 -13.2 -8.2 28 333 A P - 0 0 69 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.655 12.0-167.7 -75.7 128.9 34.6 -13.4 -4.7 29 334 A T + 0 0 102 -2,-0.4 -2,-0.0 2,-0.1 0, 0.0 -0.640 63.3 55.3-117.6 70.3 38.1 -14.9 -5.0 30 335 A R S S- 0 0 143 -2,-0.4 3,-0.1 3,-0.0 0, 0.0 -0.740 89.7 -94.9 172.7 141.6 38.8 -15.6 -1.3 31 336 A P - 0 0 122 0, 0.0 2,-0.6 0, 0.0 5,-0.1 -0.179 55.3 -86.9 -62.3 167.2 37.1 -17.6 1.4 32 337 A F + 0 0 84 4,-0.1 2,-0.3 -4,-0.1 3,-0.0 -0.680 52.0 168.0 -83.5 120.8 34.6 -15.8 3.8 33 338 A S > - 0 0 58 -2,-0.6 4,-2.8 1,-0.1 5,-0.3 -0.777 51.7-103.0-115.1 170.7 36.1 -14.2 6.8 34 339 A E H > S+ 0 0 47 -2,-0.3 4,-2.1 78,-0.2 5,-0.1 0.931 125.3 50.5 -55.2 -46.2 34.5 -11.7 9.2 35 340 A A H 4 S+ 0 0 45 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.904 112.5 45.4 -57.3 -46.2 36.5 -9.0 7.5 36 341 A S H >> S+ 0 0 27 2,-0.2 4,-1.8 1,-0.2 3,-1.3 0.935 112.3 48.8 -68.6 -49.5 35.5 -10.1 3.9 37 342 A M H >X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.3 3,-0.6 0.962 110.7 51.2 -52.6 -53.9 31.7 -10.5 4.6 38 343 A M H 3X S+ 0 0 17 -4,-2.1 4,-0.6 -5,-0.3 -1,-0.3 0.576 106.7 56.6 -64.4 -10.1 31.5 -7.1 6.3 39 344 A G H <> S+ 0 0 19 -3,-1.3 4,-2.3 -4,-0.3 -1,-0.3 0.827 105.5 49.2 -87.8 -38.1 33.2 -5.6 3.3 40 345 A L H X S+ 0 0 3 -4,-2.2 4,-2.3 -5,-0.2 3,-0.6 0.970 113.4 41.6 -52.5 -60.2 26.7 -2.6 -0.7 45 350 A A H 3X S+ 0 0 11 -4,-2.4 4,-3.0 1,-0.3 5,-0.2 0.904 109.6 56.9 -55.5 -50.8 25.0 -0.3 1.8 46 351 A D H 3< S+ 0 0 45 -4,-2.4 4,-0.5 1,-0.3 -1,-0.3 0.815 113.2 42.1 -55.5 -34.6 27.3 2.6 1.1 47 352 A R H XX S+ 0 0 84 -4,-1.6 4,-0.7 -3,-0.6 3,-0.6 0.824 112.2 53.9 -79.2 -35.8 26.3 2.4 -2.5 48 353 A E H >X S+ 0 0 30 -4,-2.3 4,-0.9 1,-0.2 3,-0.6 0.841 99.5 64.6 -66.3 -32.6 22.6 1.9 -1.6 49 354 A L H 3X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.785 94.3 58.2 -61.4 -32.1 22.7 5.0 0.6 50 355 A V H <> S+ 0 0 69 -3,-0.6 4,-1.0 -4,-0.5 -1,-0.2 0.854 109.6 43.9 -68.4 -33.8 23.3 7.3 -2.4 51 356 A H H < S+ 0 0 5 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.877 112.0 54.9 -56.3 -42.8 14.4 7.9 -3.3 56 361 A A H >< S+ 0 0 0 -4,-3.7 3,-2.7 1,-0.2 -2,-0.2 0.958 101.5 56.2 -57.7 -49.5 13.8 10.0 -0.1 57 362 A K H 3< S+ 0 0 46 -4,-2.7 6,-0.5 1,-0.3 -1,-0.2 0.763 107.5 52.4 -56.3 -21.5 13.7 13.3 -2.1 58 363 A R T << S+ 0 0 137 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.248 79.0 108.0-100.3 6.8 10.9 11.8 -4.1 59 364 A V S X S- 0 0 1 -3,-2.7 3,-2.5 1,-0.1 4,-0.5 -0.804 87.0-102.5 -86.4 114.1 8.7 10.7 -1.1 60 365 A P T 3 S+ 0 0 20 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.030 103.3 10.7 -42.7 139.0 5.8 13.1 -1.2 61 366 A G T > S+ 0 0 3 -4,-0.1 3,-1.7 1,-0.1 4,-0.4 -0.063 99.7 101.4 83.5 -35.3 6.1 15.8 1.4 62 367 A F G X S+ 0 0 0 -3,-2.5 3,-2.6 -2,-0.4 -5,-0.1 0.927 79.6 52.8 -47.0 -54.8 9.7 14.9 2.2 63 368 A V G 3 S+ 0 0 89 -6,-0.5 -1,-0.3 -4,-0.5 4,-0.1 0.699 95.7 69.4 -56.9 -21.9 11.1 17.8 0.1 64 369 A D G < S+ 0 0 74 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.568 87.3 86.8 -73.6 -8.9 8.8 20.3 2.0 65 370 A L S < S- 0 0 8 -3,-2.6 2,-0.4 -4,-0.4 -4,-0.0 -0.494 87.8-105.2 -85.7 160.5 11.0 19.7 5.1 66 371 A T >> - 0 0 48 -2,-0.2 3,-2.1 1,-0.1 4,-1.6 -0.759 34.0-104.3 -92.1 135.0 14.2 21.6 5.8 67 372 A L H 3> S+ 0 0 55 -2,-0.4 4,-2.8 1,-0.3 5,-0.2 0.631 119.2 49.8 -12.0 -59.0 17.7 20.1 5.3 68 373 A H H 3> S+ 0 0 122 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.917 112.6 47.6 -66.4 -37.9 18.4 19.5 9.0 69 374 A D H <> S+ 0 0 36 -3,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.884 113.3 49.4 -62.0 -40.5 15.0 17.8 9.5 70 375 A Q H X S+ 0 0 12 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.887 111.6 48.1 -66.5 -40.3 15.7 15.7 6.3 71 376 A V H X S+ 0 0 19 -4,-2.8 4,-3.8 -5,-0.2 5,-0.2 0.933 110.1 54.0 -61.3 -47.6 19.2 14.8 7.6 72 377 A H H X S+ 0 0 60 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.940 110.8 43.3 -53.0 -57.0 17.7 13.9 11.0 73 378 A L H X S+ 0 0 11 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.921 118.8 43.3 -58.2 -49.8 15.1 11.4 9.5 74 379 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 3,-0.4 0.927 112.9 52.5 -64.8 -43.8 17.5 9.8 7.1 75 380 A E H < S+ 0 0 49 -4,-3.8 -1,-0.2 1,-0.2 -2,-0.2 0.783 115.6 44.3 -56.3 -30.9 20.3 9.7 9.8 76 381 A C H < S+ 0 0 13 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.722 122.8 29.9 -82.9 -29.3 17.7 8.0 11.9 77 382 A A H >X S+ 0 0 0 -4,-1.7 4,-2.8 -3,-0.4 3,-0.8 0.528 78.9 108.1-118.9 -10.4 16.2 5.5 9.5 78 383 A W H 3X S+ 0 0 3 -4,-2.2 4,-2.1 1,-0.3 -1,-0.1 0.774 87.6 41.4 -44.5 -38.9 18.8 4.5 7.0 79 384 A L H 3> S+ 0 0 21 2,-0.2 4,-2.4 3,-0.2 -1,-0.3 0.801 113.4 51.1 -88.6 -26.5 19.3 1.0 8.4 80 385 A E H <> S+ 0 0 1 -3,-0.8 4,-3.6 2,-0.2 5,-0.3 0.937 113.6 47.3 -64.3 -49.1 15.7 0.2 9.0 81 386 A I H X S+ 0 0 6 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.920 112.4 49.1 -59.2 -47.4 15.0 1.3 5.4 82 387 A L H X S+ 0 0 24 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.947 114.9 46.2 -55.1 -47.3 17.9 -0.8 4.3 83 388 A M H X S+ 0 0 15 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.836 112.0 46.9 -71.8 -36.5 16.5 -3.8 6.3 84 389 A I H X S+ 0 0 0 -4,-3.6 4,-2.6 2,-0.2 5,-0.2 0.934 112.5 53.4 -64.8 -42.5 12.9 -3.5 5.2 85 390 A G H X S+ 0 0 9 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.919 111.4 45.7 -53.9 -48.9 14.3 -3.2 1.7 86 391 A L H X S+ 0 0 10 -4,-2.4 4,-2.3 2,-0.2 12,-0.3 0.912 109.9 53.1 -55.4 -52.1 16.2 -6.4 2.2 87 392 A V H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.909 110.3 48.2 -54.6 -47.5 13.3 -8.2 3.8 88 393 A W H >< S+ 0 0 68 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.914 109.7 53.2 -58.5 -47.6 11.1 -7.4 0.8 89 394 A R H >< S+ 0 0 44 -4,-2.0 3,-0.5 1,-0.3 -2,-0.2 0.911 107.2 50.2 -54.7 -45.1 13.8 -8.5 -1.6 90 395 A S G >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 6,-0.3 0.359 79.9 114.9 -83.1 8.2 14.1 -11.9 0.1 91 396 A M G < S+ 0 0 34 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.854 81.1 33.5 -42.9 -59.8 10.4 -12.4 -0.1 92 397 A E G < S+ 0 0 167 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.134 105.4 80.4 -91.7 19.7 10.3 -15.3 -2.5 93 398 A H S X S- 0 0 64 -3,-2.1 3,-1.6 3,-0.2 2,-0.2 -0.749 72.0-159.2-125.2 80.6 13.5 -16.8 -1.2 94 399 A P T 3 S+ 0 0 84 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.421 77.0 10.8 -65.8 128.8 12.5 -18.6 2.0 95 400 A G T 3 S+ 0 0 42 1,-0.3 12,-0.6 -2,-0.2 2,-0.3 0.429 118.3 85.1 83.3 -0.3 15.4 -19.2 4.4 96 401 A K E < -A 106 0A 70 -3,-1.6 2,-0.4 -6,-0.3 -1,-0.3 -0.788 66.0-141.0-125.6 170.0 17.7 -16.8 2.4 97 402 A L E -A 105 0A 0 8,-2.1 8,-2.1 -2,-0.3 2,-1.6 -0.926 8.7-149.0-140.6 111.1 18.3 -13.1 2.2 98 403 A L E +A 104 0A 23 -2,-0.4 6,-0.2 -12,-0.3 -9,-0.1 -0.615 27.8 162.5 -84.6 86.0 18.9 -11.3 -1.1 99 404 A F E S- 0 0 23 -2,-1.6 -77,-0.3 4,-1.4 -1,-0.2 0.883 85.3 -10.8 -64.8 -39.8 21.2 -8.5 -0.2 100 405 A A E > S-A 103 0A 0 3,-1.4 3,-2.9 -3,-0.2 -1,-0.4 -0.948 80.5-102.3-152.5 158.1 21.8 -8.5 -4.0 101 406 A P T 3 S+ 0 0 57 0, 0.0 3,-0.2 0, 0.0 -78,-0.1 0.733 126.9 42.6 -58.4 -19.2 20.8 -11.0 -6.7 102 407 A N T 3 S+ 0 0 65 1,-0.2 2,-0.1 -4,-0.0 -79,-0.1 0.049 109.7 59.8-114.9 17.6 24.4 -12.3 -6.7 103 408 A L E < +A 100 0A 12 -3,-2.9 -4,-1.4 2,-0.0 -3,-1.4 -0.694 64.5 160.1-141.2 80.8 24.7 -12.2 -2.9 104 409 A L E -A 98 0A 49 -6,-0.2 2,-0.3 -3,-0.2 -6,-0.2 -0.912 20.9-171.0-109.2 106.1 21.9 -14.6 -1.7 105 410 A L E -A 97 0A 6 -8,-2.1 -8,-2.1 -2,-0.7 2,-0.3 -0.695 18.9-159.8-106.5 147.5 22.8 -15.7 1.8 106 411 A D E > -A 96 0A 52 -2,-0.3 3,-1.8 -10,-0.2 -10,-0.2 -0.730 43.7 -92.7-110.2 175.6 21.5 -18.2 4.2 107 412 A R G > S+ 0 0 90 -12,-0.6 3,-1.2 1,-0.3 4,-0.4 0.739 115.7 66.6 -63.6 -31.5 22.0 -18.2 7.9 108 413 A N G 3 S+ 0 0 110 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.606 92.8 66.7 -64.9 -10.0 25.2 -20.4 8.1 109 414 A Q G < S+ 0 0 71 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.1 -0.077 94.3 55.4-103.6 29.4 27.0 -17.6 6.3 110 415 A G S X S+ 0 0 1 -3,-1.2 3,-2.3 2,-0.1 7,-0.5 0.353 77.3 96.9-125.6 -13.5 26.6 -15.2 9.2 111 416 A K T 3 S+ 0 0 124 -4,-0.4 -2,-0.1 1,-0.3 4,-0.1 0.709 81.7 55.5 -47.5 -26.9 28.3 -17.6 11.6 112 417 A C T 3 S+ 0 0 48 -4,-0.1 2,-0.6 1,-0.1 -1,-0.3 0.631 94.0 72.5 -87.5 -16.4 31.6 -15.7 11.0 113 418 A V S X S- 0 0 6 -3,-2.3 3,-2.8 -80,-0.1 4,-0.4 -0.886 89.0-117.3-108.7 112.7 30.4 -12.2 12.0 114 419 A E T 3 S+ 0 0 116 -2,-0.6 108,-0.1 1,-0.3 -2,-0.1 -0.234 101.5 8.3 -48.5 111.0 29.8 -11.5 15.7 115 420 A G T 3> S+ 0 0 13 -4,-0.1 4,-1.6 -2,-0.1 -1,-0.3 0.148 98.9 106.9 103.8 -17.4 26.1 -10.7 15.9 116 421 A M H <> S+ 0 0 28 -3,-2.8 4,-2.7 -6,-0.4 3,-0.4 0.980 73.3 50.8 -57.8 -66.2 25.0 -11.6 12.4 117 422 A V H > S+ 0 0 14 -7,-0.5 4,-2.8 -4,-0.4 5,-0.2 0.853 109.3 53.4 -46.9 -44.4 23.1 -14.8 12.7 118 423 A E H > S+ 0 0 125 1,-0.3 4,-1.2 2,-0.2 3,-0.3 0.954 115.2 38.8 -54.2 -56.2 20.9 -13.4 15.5 119 424 A I H X S+ 0 0 16 -4,-1.6 4,-2.1 -3,-0.4 -1,-0.3 0.771 113.5 59.9 -60.3 -30.6 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109.4 50.2 -65.8 -32.4 -14.6 -6.8 29.5 255 315 B M H X S+ 0 0 2 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.815 108.5 50.4 -72.2 -35.1 -11.0 -6.3 28.2 256 316 B V H X S+ 0 0 10 -4,-1.1 4,-2.3 2,-0.2 3,-0.4 0.954 115.4 41.9 -68.8 -48.6 -11.0 -2.5 29.1 257 317 B S H X S+ 0 0 62 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.876 111.2 59.3 -62.0 -37.0 -12.2 -3.2 32.6 258 318 B A H X S+ 0 0 26 -4,-1.6 4,-0.8 -5,-0.2 -1,-0.2 0.822 111.2 39.0 -62.4 -34.1 -9.9 -6.1 32.8 259 319 B L H X S+ 0 0 0 -4,-1.3 4,-1.2 -3,-0.4 3,-0.4 0.907 111.2 54.0 -85.0 -47.1 -6.8 -3.9 32.2 260 320 B L H < S+ 0 0 83 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.867 110.3 53.3 -53.3 -35.9 -7.8 -0.9 34.2 261 321 B D H < S+ 0 0 128 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.861 107.1 48.9 -62.7 -41.0 -8.2 -3.5 37.0 262 322 B A H < S+ 0 0 0 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.596 82.3 129.1 -83.4 -11.9 -4.7 -4.9 36.6 263 323 B E < - 0 0 47 -4,-1.2 34,-0.0 -3,-0.3 -3,-0.0 -0.203 57.1-129.4 -46.7 114.2 -2.9 -1.5 36.6 264 324 B P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.293 27.3-117.6 -51.1 149.9 0.0 -1.1 39.0 265 325 B P - 0 0 69 0, 0.0 2,-0.5 0, 0.0 31,-0.1 -0.187 33.3 -88.0 -81.6-177.6 -0.1 1.9 41.3 266 326 B I - 0 0 82 -2,-0.1 2,-0.1 68,-0.0 79,-0.1 -0.851 45.9-146.4-100.2 124.5 2.4 4.8 41.3 267 327 B L - 0 0 23 -2,-0.5 2,-0.2 77,-0.2 22,-0.0 -0.445 4.8-129.3 -92.5 158.0 5.3 4.2 43.6 268 328 B Y - 0 0 147 77,-0.2 2,-0.4 -2,-0.1 -1,-0.1 -0.661 27.2-127.2 -95.3 160.2 7.4 6.5 45.8 269 329 B S - 0 0 9 -2,-0.2 2,-1.5 2,-0.1 16,-0.1 -0.870 24.5-103.5-112.7 145.5 11.3 6.5 45.6 270 330 B E + 0 0 109 -2,-0.4 2,-0.5 15,-0.2 19,-0.1 -0.489 67.1 165.2 -51.5 89.7 14.0 6.2 48.2 271 331 B Y + 0 0 74 -2,-1.5 -2,-0.1 14,-0.0 -1,-0.0 -0.904 32.1 179.3-135.1 113.0 14.5 9.9 47.9 272 332 B D > - 0 0 85 -2,-0.5 3,-1.0 3,-0.1 -2,-0.0 -0.899 12.7-162.8-105.2 103.4 16.4 12.3 50.1 273 333 B P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.244 82.7 75.4 -71.2 17.1 16.3 15.8 48.6 274 334 B T T 3 S+ 0 0 111 1,-0.1 -3,-0.0 2,-0.1 -2,-0.0 0.862 82.5 68.3 -87.8 -46.9 19.2 16.7 50.9 275 335 B R S < S- 0 0 155 -3,-1.0 -1,-0.1 1,-0.1 -3,-0.1 -0.659 82.7-137.2 -81.3 114.4 21.9 14.9 48.8 276 336 B P - 0 0 91 0, 0.0 2,-0.4 0, 0.0 5,-0.1 -0.045 36.9 -86.3 -59.8 176.3 22.5 16.6 45.4 277 337 B F + 0 0 50 4,-0.1 2,-0.2 3,-0.0 3,-0.0 -0.749 46.8 162.6-109.0 141.7 22.8 14.2 42.5 278 338 B S > - 0 0 60 -2,-0.4 4,-1.4 1,-0.0 5,-0.1 -0.606 56.5 -89.4-127.0-176.3 25.7 12.3 41.0 279 339 B E H > S+ 0 0 28 -2,-0.2 4,-1.3 2,-0.2 5,-0.1 0.892 125.8 48.1 -65.3 -38.9 26.0 9.4 38.7 280 340 B A H > S+ 0 0 50 2,-0.2 4,-1.0 1,-0.2 -1,-0.1 0.928 114.8 39.9 -70.1 -48.9 25.9 7.0 41.7 281 341 B S H > S+ 0 0 29 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.823 112.3 57.3 -73.5 -31.4 22.9 8.4 43.6 282 342 B M H X S+ 0 0 2 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.846 110.5 43.2 -68.0 -36.1 20.9 9.0 40.4 283 343 B M H X S+ 0 0 11 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.707 107.3 65.6 -77.7 -21.5 21.3 5.3 39.5 284 344 B G H X S+ 0 0 17 -4,-1.0 4,-1.1 2,-0.2 -2,-0.2 0.954 104.9 40.5 -63.3 -50.1 20.5 4.5 43.1 285 345 B L H X S+ 0 0 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-3,-1.3 5,-0.1 -4,-0.3 91,-0.0 -0.562 92.6-102.7 -77.5 138.8 1.6 -19.2 27.2 311 371 B T >> - 0 0 77 -2,-0.2 4,-1.8 1,-0.1 3,-0.9 -0.201 40.6 -99.8 -54.2 151.7 4.0 -21.8 28.5 312 372 B L H 3> S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.875 123.1 55.8 -39.1 -50.9 6.3 -20.5 31.3 313 373 B H H 3> S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.865 105.9 49.9 -56.1 -42.8 9.2 -20.0 28.8 314 374 B D H <> S+ 0 0 39 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.926 110.7 49.6 -60.4 -46.0 7.1 -17.7 26.6 315 375 B Q H X S+ 0 0 18 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.892 110.4 50.3 -63.7 -41.3 6.0 -15.6 29.5 316 376 B V H X S+ 0 0 7 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.970 110.6 50.6 -56.3 -56.3 9.6 -15.2 30.7 317 377 B H H X S+ 0 0 81 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.867 108.5 49.9 -50.8 -49.6 10.8 -14.2 27.3 318 378 B L H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 3,-0.4 0.911 113.5 45.1 -61.2 -44.0 8.1 -11.5 26.7 319 379 B L H X S+ 0 0 2 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.855 110.2 55.8 -69.5 -34.8 8.8 -9.8 30.1 320 380 B E H < S+ 0 0 24 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1,-0.3 -2,-0.2 0.866 112.5 47.9 -52.5 -44.0 4.3 4.1 32.2 331 391 B L H X S+ 0 0 19 -4,-2.3 4,-0.8 -5,-0.2 12,-0.3 0.872 110.1 51.4 -66.4 -39.2 6.7 6.9 32.9 332 392 B V H < S+ 0 0 0 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.868 110.7 50.8 -66.3 -35.6 5.8 8.9 29.8 333 393 B W H >< S+ 0 0 62 -4,-2.3 3,-1.7 1,-0.2 4,-0.3 0.932 110.4 44.4 -71.2 -50.2 2.1 8.7 30.8 334 394 B R H 3< S+ 0 0 26 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.647 110.4 59.0 -73.7 -8.1 2.4 9.9 34.3 335 395 B S T >< S+ 0 0 0 -4,-0.8 3,-1.5 -5,-0.2 -1,-0.3 0.452 80.3 97.8 -91.6 -2.0 4.7 12.6 33.0 336 396 B M T < S+ 0 0 19 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.923 79.4 46.9 -50.9 -58.4 1.9 13.8 30.7 337 397 B E T 3 S+ 0 0 145 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.409 103.2 71.6 -73.7 3.1 0.6 16.7 32.8 338 398 B H S X S- 0 0 64 -3,-1.5 3,-1.7 3,-0.2 -1,-0.2 -0.739 73.1-157.3-122.6 81.4 4.1 18.0 33.5 339 399 B P T 3 S+ 0 0 80 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.246 78.1 15.5 -58.8 144.0 5.6 19.6 30.3 340 400 B G T 3 S+ 0 0 48 1,-0.2 12,-0.8 29,-0.1 2,-0.2 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0.957 110.6 50.8 -63.2 -51.7 0.5 -4.6 22.9 392 452 B I H X S+ 0 0 3 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.924 111.6 48.3 -49.8 -53.3 4.1 -3.9 24.1 393 453 B L H X S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.2 3,-0.3 0.967 119.9 37.3 -52.8 -54.2 4.0 -6.9 26.4 394 454 B L H X S+ 0 0 2 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.701 121.6 45.3 -78.3 -20.5 2.7 -9.2 23.7 395 455 B N H < S+ 0 0 6 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.624 88.3 80.5 -97.8 -15.4 4.7 -7.7 20.9 396 456 B S H < S+ 0 0 5 -4,-2.2 -2,-0.1 -5,-0.3 -3,-0.1 0.928 115.4 15.1 -64.0 -41.6 8.2 -7.3 22.2 397 457 B G H < 0 0 16 -4,-0.5 -2,-0.1 -5,-0.2 -1,-0.1 0.913 360.0 360.0 -85.7 -58.9 9.1 -10.9 21.7 398 458 B V < 0 0 52 -4,-0.5 -3,-0.1 7,-0.0 4,-0.1 0.965 360.0 360.0 37.6 360.0 6.3 -12.0 19.3 399 ! 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 0.0 400 470 B E > 0 0 181 0, 0.0 4,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -60.2 -1.2 -22.5 17.4 401 471 B E H > + 0 0 86 2,-0.2 4,-0.7 3,-0.1 0, 0.0 0.781 360.0 41.1 -92.8 -33.8 1.3 -21.0 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126.6 42.6 -38.0 -62.3 14.6 -14.8 39.6 494 690 D L H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 4,-0.3 0.662 109.0 62.7 -59.5 -19.6 12.0 -14.0 37.0 495 691 D H H X4 S+ 0 0 26 -3,-2.2 3,-0.9 2,-0.2 -1,-0.2 0.962 108.5 36.7 -72.5 -52.7 11.1 -17.7 36.6 496 692 D R H >X S+ 0 0 162 -4,-1.7 4,-2.8 -3,-0.4 3,-1.6 0.799 107.8 64.7 -71.7 -30.3 9.9 -18.3 40.2 497 693 D L T 3< S+ 0 0 61 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.587 100.0 55.1 -69.2 -10.4 8.2 -14.8 40.5 498 694 D L T <4 S+ 0 0 23 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.433 116.4 35.8 -97.8 -4.7 5.8 -15.9 37.8 499 695 D Q T <4 0 0 99 -3,-1.6 -2,-0.2 -4,-0.1 -3,-0.1 0.680 360.0 360.0-112.9 -33.6 4.8 -19.1 39.7 500 696 D D < 0 0 133 -4,-2.8 -3,-0.1 0, 0.0 -1,-0.1 0.393 360.0 360.0 -2.8 360.0 4.8 -17.9 43.3