==== 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 14-JUN-07 2QA8 . COMPND 2 MOLECULE: ESTROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.W.NETTLES,J.B.BRUNING,J.NOWAK,S.K.SHARMA,J.B.HAHM,Y.SHI,K. . 484 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 76.9 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 . 11 2.3 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 . 10 2.1 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 . 286 59.1 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 1 1 1 1 0 2 0 0 2 0 0 2 0 0 0 0 2 3 1 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 1 1 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 79 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 135.6 16.7 21.1 27.5 2 306 A L G > + 0 0 140 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.647 360.0 77.3 -78.1 -14.3 17.8 18.9 30.4 3 307 A A G > S+ 0 0 11 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.908 91.9 53.4 -59.4 -42.2 17.0 15.7 28.5 4 308 A L G < S+ 0 0 50 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.700 103.0 56.7 -69.2 -22.7 20.1 16.0 26.4 5 309 A S G < S+ 0 0 87 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.468 80.1 115.2 -90.2 -1.7 22.4 16.3 29.4 6 310 A L < - 0 0 41 -3,-1.2 2,-0.1 -4,-0.4 -3,-0.0 -0.380 65.5-128.1 -62.1 141.1 21.3 13.0 30.9 7 311 A T > - 0 0 75 1,-0.1 4,-1.9 -2,-0.0 5,-0.1 -0.303 31.5-102.2 -74.1 177.2 23.9 10.2 31.2 8 312 A A H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.883 124.1 52.7 -69.5 -39.4 22.9 6.9 29.7 9 313 A D H > S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.868 110.0 47.5 -63.9 -39.7 22.2 5.5 33.2 10 314 A Q H > S+ 0 0 100 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.845 109.4 54.0 -70.8 -36.3 19.9 8.4 34.0 11 315 A M H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.967 111.1 45.7 -59.4 -52.5 18.1 8.0 30.7 12 316 A V H X S+ 0 0 11 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.880 113.4 50.1 -57.9 -40.4 17.5 4.3 31.6 13 317 A S H X S+ 0 0 65 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.943 110.7 47.8 -65.4 -51.0 16.4 5.2 35.1 14 318 A A H X S+ 0 0 36 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.929 114.0 48.9 -53.7 -48.5 13.9 7.9 34.0 15 319 A L H >X S+ 0 0 1 -4,-2.5 4,-0.6 -5,-0.2 3,-0.6 0.962 111.7 46.5 -58.7 -53.4 12.5 5.5 31.4 16 320 A L H >< S+ 0 0 75 -4,-2.9 3,-0.8 1,-0.2 -1,-0.2 0.880 113.4 51.7 -56.8 -37.9 12.1 2.6 33.9 17 321 A D H 3< S+ 0 0 137 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.780 105.2 53.9 -68.8 -31.1 10.5 5.0 36.4 18 322 A A H << S+ 0 0 3 -4,-1.7 -1,-0.2 -3,-0.6 -2,-0.2 0.527 78.6 133.9 -83.7 -4.5 8.0 6.4 33.9 19 323 A E << - 0 0 60 -3,-0.8 -3,-0.0 -4,-0.6 29,-0.0 -0.144 56.1-122.5 -52.3 135.6 6.7 2.9 33.0 20 324 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 28,-0.1 -0.333 31.2 -95.1 -75.3 160.3 2.8 2.7 32.9 21 325 A P - 0 0 72 0, 0.0 2,-0.6 0, 0.0 26,-0.1 -0.295 32.9-111.7 -71.9 159.0 0.9 0.2 35.1 22 326 A I - 0 0 100 74,-0.0 2,-0.2 -2,-0.0 74,-0.1 -0.836 40.4-151.4 -88.2 123.8 -0.3 -3.2 33.9 23 327 A L - 0 0 27 -2,-0.6 2,-0.3 72,-0.2 17,-0.0 -0.541 5.1-124.4 -96.3 160.1 -4.1 -3.0 33.7 24 328 A Y - 0 0 142 -2,-0.2 2,-0.2 72,-0.2 -1,-0.0 -0.737 25.4-110.1 -97.7 151.8 -6.7 -5.8 34.1 25 329 A S 0 0 12 -2,-0.3 12,-0.1 1,-0.1 11,-0.1 -0.487 360.0 360.0 -72.5 150.8 -9.4 -6.7 31.6 26 330 A E 0 0 131 10,-0.2 -1,-0.1 -2,-0.2 10,-0.1 0.548 360.0 360.0 -98.5 360.0 -12.9 -5.9 32.7 27 ! 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 28 337 A F 0 0 143 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 100.0 -17.0 -14.9 24.0 29 338 A S > - 0 0 60 1,-0.1 4,-2.7 80,-0.0 5,-0.3 -0.675 360.0-103.2-106.3 169.3 -18.5 -13.6 20.8 30 339 A E H > S+ 0 0 62 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.934 126.7 48.4 -51.3 -45.8 -16.6 -11.7 18.1 31 340 A A H > S+ 0 0 45 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.880 112.4 46.2 -64.0 -43.1 -18.4 -8.6 19.5 32 341 A S H > S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.912 113.0 48.8 -69.9 -44.1 -17.5 -9.3 23.2 33 342 A M H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.943 111.8 48.2 -62.4 -46.1 -13.9 -10.1 22.5 34 343 A M H X S+ 0 0 7 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.856 109.6 56.4 -57.0 -36.1 -13.5 -7.0 20.4 35 344 A G H X S+ 0 0 22 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.936 107.6 47.0 -62.1 -48.8 -15.2 -5.2 23.3 36 345 A L H X S+ 0 0 25 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.933 112.6 47.9 -53.5 -57.0 -12.5 -6.5 25.8 37 346 A L H X S+ 0 0 22 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.914 117.0 42.3 -56.8 -46.3 -9.6 -5.5 23.6 38 347 A T H X S+ 0 0 13 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.818 112.1 52.8 -74.4 -32.4 -10.9 -2.0 22.9 39 348 A N H X S+ 0 0 58 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.935 111.5 48.0 -65.5 -47.0 -12.0 -1.4 26.4 40 349 A L H X S+ 0 0 2 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.959 112.0 48.9 -52.1 -55.0 -8.5 -2.3 27.6 41 350 A A H X S+ 0 0 12 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.870 108.9 53.5 -57.1 -39.1 -6.8 -0.1 25.0 42 351 A D H X S+ 0 0 42 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.909 111.9 43.6 -66.4 -41.2 -9.0 2.8 25.9 43 352 A R H X S+ 0 0 74 -4,-1.9 4,-1.1 -3,-0.2 3,-0.3 0.878 113.7 51.4 -70.2 -39.0 -8.0 2.5 29.6 44 353 A E H X S+ 0 0 34 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.860 99.6 65.8 -63.7 -38.2 -4.3 2.0 28.7 45 354 A L H X S+ 0 0 1 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.875 97.2 53.5 -50.5 -44.0 -4.4 5.1 26.5 46 355 A V H X S+ 0 0 63 -4,-1.0 4,-1.1 -3,-0.3 -1,-0.2 0.938 112.7 44.1 -64.3 -39.6 -5.0 7.4 29.5 47 356 A H H X S+ 0 0 64 -4,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.822 107.9 58.9 -73.2 -26.7 -2.0 5.9 31.2 48 357 A M H X S+ 0 0 9 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.870 101.9 54.8 -64.9 -38.6 0.1 6.1 28.0 49 358 A I H X S+ 0 0 1 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.894 106.7 49.9 -63.6 -38.2 -0.4 9.8 27.9 50 359 A N H < S+ 0 0 68 -4,-1.1 4,-0.4 1,-0.2 -2,-0.2 0.882 112.8 48.0 -66.9 -42.0 1.0 10.1 31.5 51 360 A W H >X S+ 0 0 4 -4,-2.0 3,-2.1 2,-0.2 4,-0.6 0.918 104.8 58.4 -60.5 -46.0 4.0 8.0 30.5 52 361 A A H >< S+ 0 0 0 -4,-3.0 3,-1.8 1,-0.3 7,-0.2 0.908 102.4 55.3 -54.9 -46.1 4.6 10.1 27.3 53 362 A K T 3< S+ 0 0 51 -4,-1.7 -1,-0.3 1,-0.3 6,-0.3 0.650 104.5 53.8 -61.9 -17.6 4.9 13.2 29.4 54 363 A R T <4 S+ 0 0 113 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.508 82.2 106.1 -94.2 -3.0 7.7 11.4 31.4 55 364 A V S XX S- 0 0 1 -3,-1.8 3,-2.0 -4,-0.6 4,-0.6 -0.646 85.8-107.7 -80.4 118.1 9.7 10.6 28.3 56 365 A P T 34 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.178 102.7 15.6 -49.4 133.6 12.7 12.9 28.3 57 366 A G T >4 S+ 0 0 4 -4,-0.1 3,-0.9 1,-0.0 4,-0.4 -0.151 101.1 92.7 98.1 -39.3 12.2 15.5 25.5 58 367 A F G X4 S+ 0 0 0 -3,-2.0 3,-3.1 1,-0.3 -5,-0.1 0.950 83.0 53.4 -54.7 -54.5 8.5 15.0 25.0 59 368 A V G 3< S+ 0 0 96 -4,-0.6 -1,-0.3 1,-0.3 -6,-0.1 0.751 99.8 66.3 -55.5 -22.7 7.4 17.7 27.4 60 369 A D G < S+ 0 0 82 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.660 87.9 88.6 -72.2 -15.3 9.7 20.0 25.4 61 370 A L S < S- 0 0 14 -3,-3.1 2,-0.1 -4,-0.4 -4,-0.0 -0.457 89.3 -99.1 -83.4 154.9 7.4 19.7 22.4 62 371 A T >> - 0 0 71 -2,-0.1 4,-2.2 1,-0.1 3,-1.2 -0.403 37.5-109.2 -69.9 151.5 4.4 21.9 21.6 63 372 A L H 3> S+ 0 0 43 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.835 118.9 55.3 -55.3 -31.8 1.1 20.4 22.6 64 373 A H H 3> S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.831 107.5 48.4 -72.7 -32.2 0.2 20.0 18.9 65 374 A D H <> S+ 0 0 30 -3,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.891 109.4 53.4 -70.1 -41.3 3.4 17.9 18.2 66 375 A Q H X S+ 0 0 15 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.912 110.6 47.4 -59.0 -43.6 2.7 15.8 21.3 67 376 A V H X S+ 0 0 12 -4,-2.0 4,-3.1 -5,-0.2 5,-0.3 0.945 111.9 49.7 -61.9 -52.1 -0.8 15.1 19.9 68 377 A H H X S+ 0 0 52 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.896 112.8 46.8 -52.5 -45.6 0.5 14.3 16.4 69 378 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.893 115.2 45.5 -67.4 -40.6 3.1 11.9 17.9 70 379 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.913 111.6 51.7 -68.5 -43.9 0.7 10.1 20.1 71 380 A E H < S+ 0 0 34 -4,-3.1 4,-0.2 1,-0.2 -1,-0.2 0.818 115.0 44.3 -61.4 -36.1 -2.0 9.8 17.4 72 381 A C H < S+ 0 0 15 -4,-1.6 -1,-0.2 -5,-0.3 4,-0.2 0.877 124.9 29.6 -73.2 -40.9 0.6 8.3 15.1 73 382 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 3,-0.4 0.512 83.1 104.3-104.0 -9.7 2.2 5.9 17.6 74 383 A W H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.3 -1,-0.2 0.838 88.4 40.3 -52.1 -44.6 -0.5 4.9 20.1 75 384 A L H > S+ 0 0 21 2,-0.2 4,-2.7 -4,-0.2 -1,-0.3 0.859 113.4 54.0 -77.3 -32.7 -1.2 1.4 18.7 76 385 A E H > S+ 0 0 0 -3,-0.4 4,-2.3 -4,-0.2 5,-0.2 0.927 110.2 49.2 -57.2 -50.3 2.5 0.7 18.1 77 386 A I H X S+ 0 0 8 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.939 111.8 47.7 -55.4 -46.0 3.1 1.6 21.7 78 387 A L H X S+ 0 0 19 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.943 113.6 48.1 -62.6 -43.5 0.3 -0.7 23.0 79 388 A M H X S+ 0 0 15 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.860 108.3 51.6 -70.7 -37.2 1.5 -3.6 20.8 80 389 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.911 111.7 49.2 -64.2 -37.7 5.2 -3.4 21.8 81 390 A G H X S+ 0 0 9 -4,-1.9 4,-3.0 -5,-0.2 5,-0.3 0.964 111.9 49.2 -61.9 -51.1 4.0 -3.5 25.4 82 391 A L H X S+ 0 0 6 -4,-2.7 4,-1.9 1,-0.2 12,-0.5 0.925 112.3 46.2 -51.0 -52.1 1.8 -6.5 24.6 83 392 A V H X S+ 0 0 0 -4,-2.9 4,-0.6 2,-0.2 -1,-0.2 0.894 112.1 53.0 -63.5 -41.2 4.6 -8.4 22.9 84 393 A W H >< S+ 0 0 77 -4,-2.5 3,-1.4 -5,-0.2 4,-0.3 0.963 111.8 43.1 -55.4 -54.3 7.0 -7.5 25.8 85 394 A R H 3< S+ 0 0 43 -4,-3.0 3,-0.4 1,-0.3 -2,-0.2 0.803 110.6 57.7 -72.7 -16.5 4.7 -8.9 28.5 86 395 A S H >< S+ 0 0 0 -4,-1.9 3,-2.4 -5,-0.3 6,-0.3 0.590 80.0 97.5 -79.9 -10.5 3.9 -11.9 26.3 87 396 A M T << S+ 0 0 22 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.1 0.812 84.9 41.8 -50.4 -43.0 7.6 -12.9 26.1 88 397 A E T 3 S+ 0 0 163 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.068 105.2 73.0 -98.6 27.4 7.6 -15.5 28.9 89 398 A H S X S- 0 0 53 -3,-2.4 3,-2.4 3,-0.2 -1,-0.2 -0.588 76.9-158.1-135.2 70.7 4.3 -16.8 27.6 90 399 A P T 3 S+ 0 0 80 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.204 79.1 12.2 -54.5 137.3 5.2 -18.7 24.4 91 400 A G T 3 S+ 0 0 44 29,-0.2 12,-0.5 1,-0.2 2,-0.3 0.503 116.0 95.0 71.2 5.1 2.2 -19.1 22.1 92 401 A K < - 0 0 83 -3,-2.4 2,-0.6 -6,-0.3 10,-0.2 -0.942 63.3-144.4-130.9 152.6 0.2 -16.6 24.2 93 402 A L E -A 101 0A 0 8,-2.7 8,-2.5 -2,-0.3 2,-1.6 -0.968 12.8-152.8-113.4 112.2 -0.6 -12.9 24.2 94 403 A L E +A 100 0A 19 -2,-0.6 6,-0.2 -12,-0.5 -9,-0.1 -0.641 27.8 162.2 -84.8 79.3 -0.9 -11.4 27.7 95 404 A F E S- 0 0 26 -2,-1.6 -1,-0.2 4,-1.3 -72,-0.2 0.918 79.4 -12.6 -60.2 -41.1 -3.3 -8.5 26.9 96 405 A A E > S-A 99 0A 0 3,-1.6 3,-1.8 -3,-0.3 -1,-0.2 -0.934 77.4-100.0-151.7 164.1 -3.8 -8.5 30.7 97 406 A P T 3 S+ 0 0 58 0, 0.0 3,-0.1 0, 0.0 -73,-0.1 0.789 129.4 39.9 -61.9 -24.8 -2.9 -10.8 33.6 98 407 A N T 3 S+ 0 0 86 1,-0.2 2,-0.2 -4,-0.0 -74,-0.1 0.068 111.9 61.5-106.4 19.2 -6.6 -12.1 33.4 99 408 A L E < +A 96 0A 10 -3,-1.8 -3,-1.6 2,-0.0 -4,-1.3 -0.661 59.2 157.8-144.4 84.2 -6.7 -12.0 29.6 100 409 A L E -A 94 0A 63 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.949 21.3-174.1-114.7 108.1 -4.1 -14.4 28.2 101 410 A L E -A 93 0A 3 -8,-2.5 -8,-2.7 -2,-0.6 2,-0.2 -0.787 13.9-160.1-114.2 146.0 -5.1 -15.4 24.7 102 411 A D >> - 0 0 56 -2,-0.3 3,-1.5 -10,-0.2 4,-0.9 -0.662 44.7 -88.6-113.3 177.8 -3.8 -17.9 22.1 103 412 A R H 3> S+ 0 0 124 -12,-0.5 4,-1.0 1,-0.3 3,-0.3 0.783 122.9 62.0 -59.6 -26.0 -4.2 -18.1 18.3 104 413 A N H 34 S+ 0 0 96 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.747 101.5 51.3 -69.0 -27.2 -7.4 -20.2 18.7 105 414 A Q H X4 S+ 0 0 69 -3,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.683 102.7 62.6 -84.1 -16.1 -9.1 -17.5 20.6 106 415 A G H >< S+ 0 0 0 -4,-0.9 3,-1.9 -3,-0.3 7,-0.5 0.817 87.0 69.5 -73.2 -31.2 -8.1 -15.1 17.7 107 416 A K T 3< S+ 0 0 138 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.616 81.0 80.6 -66.7 -8.4 -10.2 -17.1 15.2 108 417 A C T < S+ 0 0 47 -3,-0.6 2,-0.4 -4,-0.1 -1,-0.3 0.764 90.9 52.5 -66.1 -27.5 -13.2 -15.7 17.0 109 418 A V S X> S- 0 0 3 -3,-1.9 3,-1.7 -4,-0.1 4,-0.6 -0.933 97.5-105.4-116.0 134.0 -12.9 -12.4 15.2 110 419 A E T 34 S+ 0 0 123 -2,-0.4 -2,-0.1 1,-0.3 -3,-0.0 -0.333 103.5 1.4 -55.9 130.6 -12.7 -12.0 11.4 111 420 A G T 3> S+ 0 0 34 -4,-0.1 4,-0.8 1,-0.1 -1,-0.3 0.384 103.3 106.6 72.5 -3.0 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-12.8 -1.5 -5.7 451 531 B K T 3<5S- 0 0 104 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.454 108.3-131.0 -86.8 -3.1 -13.7 1.9 -7.1 452 532 B N T < 5 + 0 0 136 -3,-0.6 -3,-0.2 -5,-0.2 -2,-0.1 0.820 55.0 150.9 54.1 35.7 -12.8 0.5 -10.6 453 533 B V < - 0 0 17 -5,-2.2 -180,-0.1 1,-0.2 -4,-0.1 0.800 69.1 -4.7 -64.7 -32.1 -10.6 3.6 -11.2 454 534 B V S S- 0 0 21 -6,-0.5 2,-0.3 -182,-0.1 -1,-0.2 -0.976 73.7-106.6-160.4 142.6 -8.3 1.6 -13.4 455 535 B P - 0 0 121 0, 0.0 2,-0.3 0, 0.0 -6,-0.0 -0.633 41.6-147.1 -67.3 135.1 -7.7 -1.9 -14.6 456 536 B L - 0 0 17 -2,-0.3 5,-0.1 1,-0.1 -179,-0.0 -0.819 19.5 -96.0-108.8 148.8 -4.6 -3.3 -12.9 457 537 B S > - 0 0 39 -2,-0.3 4,-2.3 -181,-0.1 5,-0.1 -0.017 28.9-118.1 -48.8 157.7 -2.1 -5.8 -14.3 458 538 B D H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 25,-0.2 0.866 119.8 51.8 -67.6 -36.2 -2.4 -9.5 -13.5 459 539 B L H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.938 111.7 46.1 -59.6 -47.3 1.0 -9.2 -11.7 460 540 B L H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.852 109.5 53.6 -67.7 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0.0 0.0 471 687 C H 0 0 145 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.5 -12.1 19.7 21.1 472 688 C K > - 0 0 113 1,-0.1 4,-2.0 3,-0.1 5,-0.1 -0.037 360.0-143.9 -43.8 129.0 -9.9 16.7 20.9 473 689 C I H > S+ 0 0 50 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.894 103.2 55.4 -58.1 -40.4 -10.0 14.4 23.9 474 690 C L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.942 105.0 50.0 -58.3 -54.9 -6.3 13.8 23.3 475 691 C H H > S+ 0 0 31 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.944 114.8 47.1 -42.9 -54.3 -5.4 17.5 23.4 476 692 C R H >< S+ 0 0 137 -4,-2.0 3,-1.0 1,-0.2 4,-0.4 0.929 107.8 52.4 -60.2 -51.7 -7.3 17.7 26.6 477 693 C L H >< S+ 0 0 23 -4,-3.1 3,-0.8 1,-0.2 -1,-0.2 0.830 106.8 57.1 -54.8 -35.9 -5.8 14.6 28.3 478 694 C L H 3< S+ 0 0 8 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.775 97.8 58.7 -68.9 -29.8 -2.3 16.0 27.6 479 695 C Q T << 0 0 117 -4,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.509 360.0 360.0 -85.7 2.3 -2.8 19.3 29.4 480 696 C D < 0 0 131 -3,-0.8 -1,-0.1 -4,-0.4 -3,-0.0 -0.614 360.0 360.0 -75.5 360.0 -3.6 17.7 32.8 481 !* 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 0.0 482 688 D K > 0 0 126 0, 0.0 4,-1.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 121.3 1.2 -17.4 -9.5 483 689 D I H > + 0 0 40 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.877 360.0 53.3 -60.7 -43.3 2.9 -14.9 -11.9 484 690 D L H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.921 104.5 56.9 -57.1 -45.8 5.7 -14.0 -9.5 485 691 D H H > S+ 0 0 74 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.903 108.9 46.0 -52.2 -46.9 6.6 -17.6 -9.0 486 692 D R H X S+ 0 0 149 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.904 111.1 52.7 -64.1 -42.6 7.1 -18.0 -12.8 487 693 D L H < S+ 0 0 30 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.865 106.3 51.5 -64.8 -39.0 9.2 -14.8 -13.0 488 694 D L H < S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.893 107.6 56.7 -64.1 -37.5 11.6 -15.8 -10.3 489 695 D Q H < 0 0 135 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.969 360.0 360.0 -55.4 -61.9 12.1 -19.1 -12.1 490 696 D D < 0 0 148 -4,-1.8 -2,-0.2 0, 0.0 -1,-0.2 0.885 360.0 360.0 -34.1 360.0 13.2 -17.6 -15.5