==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE RECEPTOR 12-OCT-04 1XQC . COMPND 2 MOLECULE: ESTROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.RENAUD,S.F.BISCHOFF,T.BUHL,P.FLOERSHEIM,B.FOURNIER, . 890 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 697 78.3 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 . 22 2.5 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 21 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 550 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 1 0 0 1 4 3 0 0 4 1 0 1 2 0 2 2 0 2 2 0 0 4 2 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 2 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 . 4 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 1 307 A A 0 0 44 0, 0.0 3,-0.1 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 -49.8 44.3 10.7 36.0 2 308 A L + 0 0 81 1,-0.2 0, 0.0 49,-0.0 0, 0.0 0.517 360.0 62.0 -81.4 -10.4 46.3 10.2 32.8 3 309 A S S S+ 0 0 113 2,-0.0 -1,-0.2 0, 0.0 0, 0.0 0.601 82.8 113.6 -83.9 -15.6 49.2 9.5 35.3 4 310 A L - 0 0 51 -3,-0.1 2,-0.2 1,-0.1 3,-0.0 -0.170 65.0-128.3 -62.2 149.9 47.4 6.5 36.8 5 311 A T > - 0 0 67 1,-0.1 4,-2.4 164,-0.0 5,-0.2 -0.522 29.4-109.4 -79.4 159.5 48.6 3.0 36.6 6 312 A A H > S+ 0 0 16 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.950 123.1 48.5 -52.7 -49.0 46.1 0.3 35.4 7 313 A D H > S+ 0 0 65 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.823 112.5 46.2 -63.6 -36.3 46.1 -1.0 38.9 8 314 A Q H > S+ 0 0 105 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.763 111.4 52.2 -76.1 -30.5 45.6 2.4 40.5 9 315 A M H X S+ 0 0 4 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.943 111.8 47.7 -64.7 -47.7 42.8 3.2 38.0 10 316 A V H X S+ 0 0 10 -4,-2.9 4,-2.9 -5,-0.2 5,-0.2 0.903 112.0 49.3 -59.5 -41.4 41.3 -0.1 39.0 11 317 A S H X S+ 0 0 75 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.880 109.2 51.0 -73.6 -40.5 41.6 0.7 42.7 12 318 A A H X S+ 0 0 33 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.938 114.3 44.7 -53.9 -49.4 40.1 4.1 42.3 13 319 A L H < S+ 0 0 0 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.928 113.3 49.0 -67.1 -47.8 37.1 2.6 40.5 14 320 A L H >< S+ 0 0 78 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 0.904 112.9 49.3 -53.4 -43.7 36.7 -0.3 42.9 15 321 A D H 3< S+ 0 0 115 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.855 107.2 54.9 -68.2 -31.4 36.8 2.1 45.8 16 322 A A T 3< S+ 0 0 5 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.451 77.6 133.4 -81.2 1.9 34.3 4.4 44.1 17 323 A E < - 0 0 64 -3,-1.2 -3,-0.1 -4,-0.3 25,-0.0 -0.322 56.4-125.4 -67.3 122.4 31.7 1.6 43.8 18 324 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 24,-0.0 -0.199 29.9-104.5 -60.1 152.7 28.1 2.7 45.0 19 325 A P - 0 0 74 0, 0.0 2,-0.5 0, 0.0 22,-0.0 -0.278 33.6-105.4 -74.3 168.2 26.4 0.5 47.6 20 326 A I - 0 0 101 70,-0.0 2,-0.2 71,-0.0 70,-0.1 -0.881 41.2-150.2 -94.9 122.1 23.6 -1.9 46.7 21 327 A L - 0 0 30 -2,-0.5 2,-0.3 68,-0.2 13,-0.0 -0.610 2.4-127.9 -98.7 159.5 20.3 -0.5 47.9 22 328 A Y - 0 0 138 -2,-0.2 2,-0.1 68,-0.2 68,-0.0 -0.692 21.0-111.6-106.8 148.7 17.1 -2.2 49.0 23 329 A S 0 0 10 -2,-0.3 -1,-0.1 1,-0.1 8,-0.1 -0.458 360.0 360.0 -69.5 153.0 13.5 -1.7 47.9 24 330 A E 0 0 151 6,-0.2 -1,-0.1 -2,-0.1 9,-0.0 -0.819 360.0 360.0 -99.9 360.0 11.3 -0.2 50.6 25 ! 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 26 341 A S > 0 0 130 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 137.1 2.8 -0.6 43.1 27 342 A M H > + 0 0 52 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.928 360.0 49.5 -66.0 -49.0 5.8 -2.3 41.4 28 343 A M H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 109.9 55.4 -54.9 -42.8 6.6 0.7 39.2 29 344 A G H > S+ 0 0 39 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.928 107.4 46.7 -52.7 -49.8 6.3 2.7 42.4 30 345 A L H X S+ 0 0 57 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.841 113.6 49.8 -63.9 -31.9 9.0 0.6 44.1 31 346 A L H X S+ 0 0 19 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.881 109.4 49.0 -77.2 -41.8 11.3 0.8 41.1 32 347 A T H X S+ 0 0 51 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.901 112.9 48.8 -56.3 -48.4 11.1 4.6 40.7 33 348 A N H X S+ 0 0 65 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.913 113.6 47.1 -65.7 -41.4 11.8 5.0 44.4 34 349 A L H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.937 114.4 44.4 -64.8 -49.7 14.8 2.7 44.2 35 350 A A H X S+ 0 0 24 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.882 110.2 56.4 -66.6 -37.4 16.3 4.2 41.1 36 351 A D H X S+ 0 0 103 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.883 110.9 43.9 -60.5 -37.8 15.8 7.8 42.5 37 352 A R H >X S+ 0 0 67 -4,-1.6 4,-1.1 1,-0.2 3,-0.6 0.880 110.4 55.2 -77.6 -34.9 17.8 6.8 45.6 38 353 A E H 3X S+ 0 0 34 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.814 98.0 65.9 -57.8 -33.6 20.5 5.1 43.4 39 354 A L H 3X S+ 0 0 14 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.845 96.4 53.5 -63.4 -36.6 20.8 8.3 41.5 40 355 A V H XX S+ 0 0 88 -4,-0.7 4,-1.5 -3,-0.6 3,-0.6 0.943 110.3 47.6 -63.1 -47.3 22.2 10.2 44.5 41 356 A H H 3X S+ 0 0 65 -4,-1.1 4,-2.9 1,-0.2 -2,-0.2 0.886 105.3 59.9 -63.1 -33.3 24.9 7.5 45.0 42 357 A M H 3X S+ 0 0 8 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.802 102.3 53.1 -66.7 -29.5 25.8 7.6 41.2 43 358 A I H < S+ 0 0 3 -4,-2.9 3,-1.1 1,-0.2 4,-0.4 0.900 111.5 54.0 -59.9 -47.7 30.5 7.6 42.2 46 361 A A H >< S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.3 -1,-0.2 0.836 102.2 58.3 -59.7 -35.0 30.6 9.8 39.1 47 362 A K H 3< S+ 0 0 39 -4,-2.2 6,-0.3 1,-0.2 -1,-0.3 0.766 106.7 49.2 -68.9 -24.3 32.6 12.4 41.0 48 363 A R T << S+ 0 0 110 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.320 78.7 112.1 -98.6 4.5 35.4 9.7 41.8 49 364 A V S X S- 0 0 3 -3,-1.1 3,-2.3 -4,-0.4 4,-0.5 -0.708 84.2-108.1 -71.2 120.8 35.7 8.4 38.2 50 365 A P T 3 S+ 0 0 20 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.271 102.8 19.8 -56.5 134.2 39.2 9.6 37.3 51 366 A G T 3 S+ 0 0 6 -4,-0.1 4,-0.3 4,-0.0 111,-0.1 0.220 97.8 97.8 92.2 -11.8 39.0 12.5 34.8 52 367 A F S X S+ 0 0 0 -3,-2.3 3,-1.0 1,-0.2 -5,-0.1 0.878 79.7 50.1 -80.8 -41.1 35.4 13.5 35.5 53 368 A V T 3 S+ 0 0 84 -4,-0.5 -1,-0.2 -6,-0.3 -6,-0.1 0.632 98.7 70.4 -71.9 -14.7 35.9 16.4 37.9 54 369 A D T 3 S+ 0 0 97 2,-0.1 -1,-0.2 104,-0.0 -2,-0.2 0.735 86.8 83.6 -70.9 -26.2 38.4 17.9 35.4 55 370 A L S < S- 0 0 6 -3,-1.0 -4,-0.0 -4,-0.3 2,-0.0 -0.376 94.1 -94.7 -74.8 158.5 35.4 18.6 33.1 56 371 A T > - 0 0 56 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.310 37.8-107.5 -65.6 156.3 33.3 21.8 33.5 57 372 A L H > S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.823 120.3 49.8 -52.0 -38.7 30.1 21.5 35.6 58 373 A H H > S+ 0 0 95 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.853 109.7 49.8 -77.9 -33.5 27.9 21.7 32.5 59 374 A D H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.910 110.4 51.6 -67.0 -41.3 29.9 19.0 30.7 60 375 A Q H X S+ 0 0 9 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.890 111.3 47.1 -58.2 -44.8 29.6 16.8 33.8 61 376 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.938 110.6 53.3 -64.0 -43.4 25.8 17.4 33.8 62 377 A H H X S+ 0 0 27 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.912 109.9 46.8 -57.8 -47.0 25.6 16.6 30.1 63 378 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.892 112.9 47.1 -65.4 -44.7 27.4 13.3 30.5 64 379 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.863 109.1 57.9 -66.1 -35.9 25.3 12.1 33.4 65 380 A E H < S+ 0 0 51 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.860 113.1 37.4 -56.9 -43.2 22.2 13.2 31.5 66 381 A S H < S+ 0 0 34 -4,-1.7 4,-0.3 -5,-0.2 -2,-0.2 0.860 127.6 35.2 -75.9 -36.6 23.0 10.9 28.6 67 382 A A H >X S+ 0 0 0 -4,-2.3 4,-2.2 71,-0.2 3,-0.7 0.670 83.9 91.9 -94.8 -25.1 24.4 8.0 30.7 68 383 A W H 3X S+ 0 0 28 -4,-2.7 4,-1.8 1,-0.3 5,-0.1 0.832 91.3 46.7 -53.7 -35.7 22.5 7.7 34.0 69 384 A L H 3> S+ 0 0 14 2,-0.2 4,-1.6 -4,-0.2 -1,-0.3 0.894 111.9 50.2 -78.8 -31.2 20.0 5.1 32.8 70 385 A E H <> S+ 0 0 2 -3,-0.7 4,-2.5 -4,-0.3 -1,-0.2 0.813 109.7 53.2 -67.4 -35.4 22.6 2.9 31.1 71 386 A I H X S+ 0 0 9 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.860 109.2 47.8 -64.0 -36.7 24.6 3.0 34.3 72 387 A L H X S+ 0 0 20 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.877 113.6 48.9 -71.5 -32.4 21.5 1.8 36.3 73 388 A M H X S+ 0 0 14 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.920 109.9 48.3 -76.1 -44.4 20.9 -0.9 33.7 74 389 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.881 113.1 49.2 -66.1 -36.7 24.5 -2.2 33.7 75 390 A G H X S+ 0 0 11 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.898 112.6 49.3 -55.9 -43.1 24.5 -2.3 37.5 76 391 A L H X S+ 0 0 8 -4,-1.7 4,-0.7 1,-0.2 12,-0.4 0.966 111.9 46.7 -64.2 -49.8 21.2 -4.1 37.4 77 392 A V H X S+ 0 0 0 -4,-2.9 4,-0.6 1,-0.2 3,-0.4 0.882 110.3 54.5 -62.6 -37.5 22.4 -6.6 34.9 78 393 A W H >< S+ 0 0 78 -4,-2.0 3,-1.5 1,-0.2 4,-0.2 0.967 110.2 43.3 -62.7 -52.9 25.6 -7.2 36.9 79 394 A R H 3< S+ 0 0 39 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.600 110.7 60.4 -72.1 -3.6 24.0 -8.1 40.1 80 395 A S H >< S+ 0 0 0 -4,-0.7 3,-2.5 -3,-0.4 -1,-0.2 0.596 72.7 101.5 -95.5 -12.1 21.5 -10.2 38.2 81 396 A M T << S+ 0 0 14 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.1 0.776 82.1 46.8 -43.4 -37.0 24.2 -12.5 36.7 82 397 A E T 3 S+ 0 0 143 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.381 99.7 73.0 -94.6 12.5 23.5 -15.4 39.2 83 398 A H X - 0 0 53 -3,-2.5 3,-2.5 3,-0.2 -1,-0.2 -0.587 69.6-163.2-126.1 68.9 19.7 -15.3 38.8 84 399 A P T 3 S+ 0 0 71 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.220 81.8 18.8 -53.9 143.5 18.8 -16.7 35.4 85 400 A G T 3 S+ 0 0 42 1,-0.2 12,-0.4 26,-0.1 2,-0.3 0.311 117.5 87.8 75.7 -5.7 15.3 -15.7 34.4 86 401 A K < - 0 0 67 -3,-2.5 2,-0.5 -6,-0.2 -3,-0.2 -0.885 64.2-144.8-132.3 152.8 15.4 -12.9 37.0 87 402 A L E -A 95 0A 0 8,-2.2 8,-2.1 -2,-0.3 2,-1.6 -0.969 16.5-149.4-114.6 113.2 16.3 -9.2 37.4 88 403 A L E +A 94 0A 24 -2,-0.5 6,-0.2 -12,-0.4 -9,-0.1 -0.636 28.7 163.9 -84.3 84.9 17.7 -8.5 40.9 89 404 A F E S- 0 0 24 -2,-1.6 -1,-0.2 4,-1.4 5,-0.2 0.945 77.3 -6.3 -64.9 -46.9 16.5 -4.8 41.2 90 405 A A E > S-A 93 0A 0 3,-2.0 3,-2.2 -3,-0.3 -1,-0.3 -0.942 76.4-106.4-140.2 162.1 17.2 -5.1 44.9 91 406 A P T 3 S+ 0 0 55 0, 0.0 3,-0.1 0, 0.0 -69,-0.1 0.795 129.4 38.5 -60.4 -27.1 18.2 -8.0 47.2 92 407 A N T 3 S+ 0 0 87 1,-0.2 2,-0.2 -69,-0.0 -70,-0.1 0.066 113.7 63.0-101.4 19.4 14.5 -7.8 48.4 93 408 A L E < +A 90 0A 12 -3,-2.2 -3,-2.0 2,-0.0 -4,-1.4 -0.661 58.7 159.3-147.4 85.4 13.1 -7.1 44.9 94 409 A L E -A 88 0A 68 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.957 21.2-161.7-113.0 116.1 13.8 -9.9 42.4 95 410 A L E -A 87 0A 1 -8,-2.1 -8,-2.2 -2,-0.5 2,-0.2 -0.856 7.0-170.9-105.3 133.7 11.5 -9.9 39.4 96 411 A D > - 0 0 56 -2,-0.4 4,-2.8 -10,-0.2 3,-0.3 -0.468 47.2 -82.1-108.1-170.6 10.8 -12.8 37.0 97 412 A R H > S+ 0 0 72 -12,-0.4 4,-1.3 1,-0.2 5,-0.1 0.812 123.8 58.9 -66.2 -31.9 8.9 -12.8 33.8 98 413 A N H 4 S+ 0 0 106 2,-0.2 4,-0.4 1,-0.2 3,-0.3 0.916 114.7 36.0 -63.3 -44.2 5.5 -13.0 35.4 99 414 A Q H >> S+ 0 0 76 -3,-0.3 3,-1.5 1,-0.2 4,-0.6 0.900 110.9 65.4 -71.0 -41.0 6.0 -9.8 37.3 100 415 A G H 3< S+ 0 0 0 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.683 97.0 53.0 -58.6 -26.1 8.0 -8.3 34.3 101 416 A K T 3< S+ 0 0 134 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.646 102.5 59.3 -84.3 -16.7 5.0 -8.3 31.9 102 417 A S T <4 S+ 0 0 94 -3,-1.5 2,-0.6 -4,-0.4 -2,-0.2 0.587 89.3 85.7 -85.3 -9.5 2.8 -6.4 34.4 103 418 A V S >X S- 0 0 7 -4,-0.6 3,-0.8 -3,-0.3 4,-0.7 -0.829 80.0-131.5 -97.6 116.0 5.3 -3.4 34.5 104 419 A E T 34 S+ 0 0 154 -2,-0.6 -2,-0.1 1,-0.2 -3,-0.0 -0.377 92.7 18.6 -62.7 139.6 4.8 -0.9 31.7 105 420 A G T 3> S+ 0 0 20 -2,-0.1 4,-0.7 1,-0.1 3,-0.3 -0.051 111.4 79.9 85.7 -31.5 8.0 0.1 29.9 106 421 A M H <> S+ 0 0 15 -3,-0.8 4,-2.7 1,-0.2 -2,-0.2 0.729 72.6 79.9 -72.3 -22.9 9.6 -3.1 31.2 107 422 A V H < S+ 0 0 90 -4,-0.7 4,-0.4 1,-0.2 -1,-0.2 0.825 97.8 37.2 -64.4 -38.5 7.9 -5.2 28.5 108 423 A E H > S+ 0 0 106 -3,-0.3 4,-0.6 1,-0.1 3,-0.2 0.908 124.5 40.9 -71.6 -41.8 10.3 -4.5 25.7 109 424 A I H X S+ 0 0 12 -4,-0.7 4,-2.7 1,-0.2 -2,-0.2 0.658 88.6 85.1 -91.6 -14.7 13.4 -4.4 27.9 110 425 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.921 98.5 39.6 -51.9 -51.2 12.9 -7.3 30.3 111 426 A D H > S+ 0 0 102 -4,-0.4 4,-2.8 -3,-0.2 -1,-0.2 0.840 113.0 55.5 -70.9 -36.1 14.4 -9.9 27.9 112 427 A M H X S+ 0 0 15 -4,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.927 108.9 48.9 -57.6 -43.0 17.1 -7.6 26.6 113 428 A L H X S+ 0 0 3 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.930 111.7 48.3 -64.8 -44.7 18.2 -7.2 30.3 114 429 A L H X S+ 0 0 32 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46.7 768 402 D L E -D 776 0D 0 8,-2.5 8,-2.1 -2,-0.3 2,-1.7 -0.945 15.3-147.7-109.9 119.8 -2.1 24.7 47.4 769 403 D L E +D 775 0D 19 -2,-0.5 6,-0.2 -12,-0.4 -9,-0.1 -0.633 26.2 168.5 -84.6 77.6 -1.7 26.0 50.9 770 404 D F E S- 0 0 19 -2,-1.7 -1,-0.2 4,-1.2 5,-0.2 0.949 76.5 -12.0 -57.3 -44.4 -5.0 27.9 51.2 771 405 D A E > S-D 774 0D 0 3,-1.8 3,-2.1 -3,-0.2 -1,-0.2 -0.925 79.9 -98.4-143.8 166.1 -4.2 28.2 54.9 772 406 D P T 3 S+ 0 0 60 0, 0.0 3,-0.1 0, 0.0 -69,-0.1 0.776 130.6 37.6 -60.9 -22.2 -1.6 26.6 57.2 773 407 D N T 3 S+ 0 0 90 1,-0.2 2,-0.2 -4,-0.0 -70,-0.1 -0.030 111.8 63.7-113.6 22.7 -4.5 24.2 58.2 774 408 D L E < +D 771 0D 14 -3,-2.1 -3,-1.8 2,-0.0 -4,-1.2 -0.649 60.0 155.7-146.5 85.8 -6.1 23.9 54.8 775 409 D L E -D 769 0D 61 -6,-0.2 2,-0.4 -2,-0.2 -6,-0.2 -0.976 19.1-170.3-116.6 119.4 -3.6 22.3 52.3 776 410 D L E -D 768 0D 5 -8,-2.1 -8,-2.5 -2,-0.5 2,-0.1 -0.923 8.4-150.7-118.9 137.4 -5.2 20.6 49.3 777 411 D D E > -D 767 0D 62 -2,-0.4 4,-2.6 -10,-0.2 5,-0.2 -0.460 41.9 -86.6 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6.1 25.8 40.6 800 434 D R H X S+ 0 0 18 -4,-1.7 4,-1.5 -5,-0.3 -2,-0.2 0.972 109.4 42.6 -62.3 -49.5 7.0 28.5 38.1 801 435 D F H X>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 4,-0.8 0.904 111.7 58.1 -61.8 -36.9 7.7 30.9 41.0 802 436 D R H ><5S+ 0 0 143 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.947 107.4 45.1 -56.1 -50.3 9.5 28.0 42.8 803 437 D M H 3<5S+ 0 0 92 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.739 113.4 50.6 -70.6 -22.9 11.9 27.5 39.9 804 438 D M H 3<5S- 0 0 15 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.573 105.6-130.9 -84.3 -10.3 12.5 31.2 39.6 805 439 D N T <<5 - 0 0 113 -3,-1.3 -3,-0.2 -4,-0.8 -2,-0.1 0.942 28.2-152.4 50.9 51.2 13.2 31.4 43.4 806 440 D L < - 0 0 6 -5,-2.0 2,-0.2 -6,-0.1 -1,-0.2 -0.324 6.6-140.9 -52.6 126.8 10.9 34.3 43.6 807 441 D Q > - 0 0 86 -3,-0.1 4,-2.8 1,-0.1 3,-0.3 -0.577 17.0-117.1 -88.6 153.4 11.9 36.6 46.5 808 442 D G H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.814 115.4 57.1 -59.1 -30.5 9.5 38.3 49.0 809 443 D E H > S+ 0 0 77 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.885 110.7 44.4 -71.6 -35.6 10.6 41.7 47.9 810 444 D E H > S+ 0 0 9 -3,-0.3 4,-2.5 2,-0.2 3,-0.4 0.949 108.9 57.4 -68.3 -50.5 9.7 40.8 44.3 811 445 D F H X S+ 0 0 4 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.887 105.9 47.9 -47.2 -50.9 6.4 39.3 45.4 812 446 D V H X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.848 111.0 51.4 -66.2 -35.6 5.1 42.5 47.0 813 447 D C H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.4 -1,-0.2 0.906 108.7 51.7 -61.8 -46.5 6.1 44.6 44.0 814 448 D L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.861 109.5 50.4 -59.1 -37.9 4.2 42.2 41.7 815 449 D K H X S+ 0 0 9 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.918 110.1 49.6 -65.8 -38.8 1.1 42.5 44.0 816 450 D S H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.842 109.9 51.0 -72.4 -32.9 1.3 46.3 43.8 817 451 D I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.896 107.3 53.1 -68.8 -48.3 1.5 46.2 40.1 818 452 D I H X S+ 0 0 3 -4,-2.1 4,-3.0 2,-0.2 3,-0.3 0.992 109.8 49.9 -43.5 -61.1 -1.6 43.9 39.8 819 453 D L H < S+ 0 0 0 -4,-2.1 4,-0.4 1,-0.3 -2,-0.2 0.767 118.6 36.4 -49.5 -43.2 -3.6 46.4 41.9 820 454 D L H < S+ 0 0 1 -4,-1.6 -1,-0.3 -5,-0.1 4,-0.2 0.800 125.3 39.9 -80.5 -33.2 -2.6 49.4 39.8 821 455 D N H >X S+ 0 0 4 -4,-2.6 3,-0.7 -3,-0.3 4,-0.5 0.790 96.2 72.3 -89.9 -31.8 -2.6 47.6 36.4 822 456 D S T 3< S+ 0 0 8 -4,-3.0 3,-0.2 -5,-0.3 -1,-0.1 0.888 112.2 25.2 -57.6 -36.8 -5.6 45.3 36.4 823 457 D G T >4 S+ 0 0 0 -4,-0.4 3,-1.5 -5,-0.2 -1,-0.2 0.413 92.9 97.5-108.8 -2.9 -8.3 48.0 36.1 824 458 D V G X4 S+ 0 0 0 -3,-0.7 3,-0.8 1,-0.3 -1,-0.1 0.854 84.5 48.6 -67.3 -36.4 -6.4 50.8 34.4 825 459 D Y G 3< S+ 0 0 20 -4,-0.5 -1,-0.3 1,-0.2 -257,-0.1 0.406 106.3 59.9 -85.0 3.9 -7.5 50.0 30.9 826 460 D T G < 0 0 48 -3,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.281 360.0 360.0-114.7 9.8 -11.3 49.7 31.9 827 461 D F < 0 0 75 -3,-0.8 -2,-0.1 -4,-0.2 -1,-0.1 0.874 360.0 360.0 -64.9 360.0 -11.8 53.3 33.3 828 ! 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 0.0 829 464 D S 0 0 148 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 85.4 -12.6 59.7 28.7 830 465 D T > - 0 0 88 1,-0.0 4,-1.2 0, 0.0 0, 0.0 -0.665 360.0-100.8-111.9 174.0 -12.4 63.2 30.2 831 466 D L H > S+ 0 0 130 -2,-0.2 4,-1.6 2,-0.2 3,-0.5 0.922 123.8 57.4 -58.2 -49.3 -9.2 65.2 30.8 832 467 D K H > S+ 0 0 123 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.882 101.6 57.1 -53.7 -42.6 -9.2 64.2 34.4 833 468 D S H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.887 103.1 53.1 -56.8 -44.3 -9.2 60.6 33.3 834 469 D L H X S+ 0 0 90 -4,-1.2 4,-2.5 -3,-0.5 -1,-0.2 0.935 111.1 45.1 -59.9 -48.9 -5.9 61.0 31.3 835 470 D E H X S+ 0 0 96 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.881 111.7 51.7 -66.6 -36.7 -4.0 62.6 34.2 836 471 D E H X S+ 0 0 23 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.935 115.7 42.9 -59.2 -45.3 -5.3 59.9 36.7 837 472 D K H X S+ 0 0 44 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.855 111.2 53.1 -66.6 -39.7 -4.1 57.2 34.3 838 473 D D H X S+ 0 0 67 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.929 111.0 50.4 -65.3 -40.4 -0.8 59.1 33.6 839 474 D H H X S+ 0 0 33 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.914 108.5 48.4 -56.9 -52.9 -0.3 59.1 37.3 840 475 D I H X S+ 0 0 3 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.865 110.7 53.6 -58.1 -39.6 -1.0 55.4 37.8 841 476 D H H X S+ 0 0 15 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.855 106.1 52.5 -65.6 -34.1 1.4 54.8 34.9 842 477 D R H X S+ 0 0 142 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.874 108.6 50.4 -66.6 -39.4 4.2 56.9 36.7 843 478 D V H X S+ 0 0 6 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.874 108.9 51.7 -64.4 -38.6 3.7 54.8 39.9 844 479 D L H X S+ 0 0 4 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.887 107.6 52.0 -66.1 -42.7 4.1 51.5 37.8 845 480 D D H X S+ 0 0 25 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.900 107.4 54.4 -55.4 -42.6 7.3 52.8 36.3 846 481 D K H X S+ 0 0 62 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.895 109.7 45.5 -61.0 -40.3 8.5 53.5 39.8 847 482 D I H X S+ 0 0 1 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.844 109.9 54.3 -72.4 -39.4 7.8 49.9 40.7 848 483 D T H >X S+ 0 0 3 -4,-2.7 4,-2.2 2,-0.2 3,-0.6 0.960 109.9 48.0 -47.9 -56.2 9.5 48.7 37.6 849 484 D D H 3X S+ 0 0 38 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.909 112.4 49.9 -49.6 -48.2 12.6 50.8 38.7 850 485 D T H 3X S+ 0 0 3 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.767 108.6 52.1 -64.2 -32.7 12.3 49.2 42.2 851 486 D L H S+ 0 0 2 -4,-1.1 5,-2.2 2,-0.2 -2,-0.2 0.862 109.5 48.6 -74.5 -40.4 17.8 42.5 40.8 856 491 D A H ><5S+ 0 0 48 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.901 110.9 52.5 -64.8 -40.0 20.9 44.6 40.4 857 492 D K H 3<5S+ 0 0 159 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.836 103.1 57.2 -63.6 -36.1 21.5 44.5 44.2 858 493 D A T 3<5S- 0 0 74 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.322 125.7-100.7 -82.4 7.1 21.2 40.7 44.2 859 494 D G T < 5 + 0 0 62 -3,-1.3 2,-0.2 1,-0.3 -3,-0.2 0.625 69.1 150.8 92.7 17.6 24.1 40.5 41.6 860 495 D L < - 0 0 45 -5,-2.2 -1,-0.3 1,-0.1 -2,-0.0 -0.581 43.7-122.2 -84.7 140.0 22.2 40.0 38.4 861 496 D T > - 0 0 76 -2,-0.2 4,-2.0 1,-0.1 3,-0.2 -0.282 32.4 -99.6 -71.7 167.9 23.7 41.3 35.1 862 497 D L H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.893 124.7 51.8 -54.7 -41.3 21.8 43.8 33.0 863 498 D Q H > S+ 0 0 102 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.854 110.8 46.8 -65.6 -40.2 20.8 40.9 30.6 864 499 D Q H > S+ 0 0 92 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.798 110.1 54.9 -69.4 -30.3 19.5 38.8 33.5 865 500 D Q H X S+ 0 0 11 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.966 110.6 43.4 -70.3 -54.0 17.6 41.8 35.0 866 501 D H H X S+ 0 0 9 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.914 115.9 50.2 -50.1 -51.1 15.7 42.5 31.8 867 502 D Q H X S+ 0 0 30 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.855 112.1 44.9 -61.2 -44.5 15.0 38.8 31.3 868 503 D R H X S+ 0 0 36 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.866 109.2 56.3 -70.5 -39.1 13.7 38.2 34.8 869 504 D L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.919 110.0 47.1 -57.0 -45.9 11.5 41.4 34.7 870 505 D A H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.903 110.2 51.7 -61.2 -44.1 9.9 40.0 31.6 871 506 D Q H X S+ 0 0 31 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.882 111.2 48.0 -62.6 -40.5 9.4 36.5 33.1 872 507 D L H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 3,-0.4 0.935 113.3 46.5 -66.9 -46.5 7.7 38.0 36.2 873 508 D L H X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.3 -2,-0.2 0.830 107.4 56.8 -72.7 -28.3 5.4 40.3 34.1 874 509 D L H >X S+ 0 0 7 -4,-2.2 4,-0.9 1,-0.2 3,-0.6 0.805 100.0 58.8 -72.7 -28.2 4.4 37.5 31.8 875 510 D I H >X S+ 0 0 0 -4,-1.2 4,-2.4 -3,-0.4 3,-0.6 0.900 96.9 64.2 -64.4 -34.4 3.2 35.5 34.7 876 511 D L H 3X S+ 0 0 4 -4,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.809 96.5 55.0 -58.6 -31.6 0.8 38.4 35.5 877 512 D S H > 0 0 138 0, 0.0 4,-1.1 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 120.5 -21.6 42.4 48.3 893 536 D L H 3> + 0 0 44 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.778 360.0 62.7 -58.6 -36.1 -18.0 43.5 47.6 894 537 D Y H 3> S+ 0 0 126 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.892 105.1 44.1 -54.0 -49.8 -18.9 47.0 46.2 895 538 D D H <> S+ 0 0 100 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.788 115.0 49.0 -71.8 -30.0 -20.4 48.4 49.4 896 539 D L H X S+ 0 0 57 -4,-1.1 4,-2.2 2,-0.2 5,-0.3 0.880 113.9 46.5 -73.6 -43.2 -17.6 47.0 51.5 897 540 D L H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 5,-0.3 0.950 115.1 47.1 -58.2 -51.5 -15.0 48.5 49.1 898 541 D L H X S+ 0 0 68 -4,-3.0 4,-1.1 -5,-0.2 -2,-0.2 0.870 116.4 43.5 -59.4 -41.4 -16.9 51.8 49.1 899 542 D E H X S+ 0 0 126 -4,-2.0 4,-0.8 2,-0.2 5,-0.4 0.908 117.6 41.0 -76.5 -47.8 -17.3 51.9 53.0 900 543 D M H >< S+ 0 0 50 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.925 117.2 47.8 -68.8 -45.2 -13.9 50.9 54.1 901 544 D L H 3< S+ 0 0 4 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.812 104.5 60.6 -65.1 -30.9 -12.0 52.9 51.4 902 545 D D H 3< S- 0 0 104 -4,-1.1 3,-0.3 -5,-0.3 -1,-0.3 0.723 98.1-157.7 -70.2 -23.6 -14.2 55.9 52.4 903 546 D A << - 0 0 40 -3,-0.8 2,-2.8 -4,-0.8 -3,-0.1 0.899 18.5-140.2 57.5 74.3 -12.6 55.4 55.8 904 547 D H 0 0 126 -5,-0.4 -1,-0.2 1,-0.1 -2,-0.1 -0.381 360.0 360.0 -67.1 78.4 -14.8 57.0 58.5 905 548 D R 0 0 271 -2,-2.8 -1,-0.1 -3,-0.3 0, 0.0 -0.977 360.0 360.0 121.2 360.0 -11.5 58.2 60.1