==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 01-SEP-06 2I88 . COMPND 2 MOLECULE: COLICIN-E1; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.ELKINS,A BUNKER,W.A.CRAMER,C.V.STAUFFACHER . 178 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8541.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 80.9 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 . 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 . 9 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 57.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1 1 0 0 3 0 1 2 0 0 2 0 0 0 0 0 0 0 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 1 345 A I > 0 0 107 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -18.0 9.4 12.7 13.7 2 346 A K H > + 0 0 145 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.981 360.0 40.5 -46.4 -56.6 9.1 10.8 10.4 3 347 A D H > S+ 0 0 115 2,-0.2 4,-4.0 1,-0.2 5,-0.3 0.878 105.1 61.6 -58.9 -54.9 11.0 13.7 9.1 4 348 A A H > S+ 0 0 9 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.886 112.1 40.8 -42.6 -49.7 13.5 14.3 11.9 5 349 A V H X S+ 0 0 62 -4,-2.0 4,-2.2 -3,-0.2 -1,-0.3 0.902 115.6 49.4 -68.6 -43.8 14.9 10.8 11.3 6 350 A D H X S+ 0 0 98 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.938 113.0 48.5 -60.9 -44.1 14.8 11.1 7.5 7 351 A A H X S+ 0 0 29 -4,-4.0 4,-2.3 1,-0.2 -2,-0.2 0.927 108.2 53.7 -61.5 -47.0 16.5 14.5 7.7 8 352 A T H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.914 106.4 52.1 -55.7 -43.7 19.2 13.1 10.0 9 353 A V H X S+ 0 0 85 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.884 107.5 52.4 -60.8 -38.2 20.0 10.3 7.6 10 354 A S H X S+ 0 0 75 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.919 106.4 54.7 -62.6 -42.5 20.3 13.0 4.8 11 355 A F H X S+ 0 0 18 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.927 105.6 52.9 -53.3 -49.6 22.8 14.8 7.1 12 356 A Y H X S+ 0 0 12 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.899 107.7 49.9 -58.4 -42.7 24.8 11.6 7.4 13 357 A Q H X S+ 0 0 108 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.871 110.6 49.5 -67.9 -32.2 25.1 11.3 3.6 14 358 A T H X S+ 0 0 60 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.872 106.6 56.0 -72.3 -31.9 26.2 14.9 3.2 15 359 A L H X S+ 0 0 4 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.928 109.3 47.4 -61.5 -41.7 28.8 14.3 5.9 16 360 A T H < S+ 0 0 25 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.877 111.0 51.2 -65.0 -41.0 30.0 11.4 3.7 17 361 A E H < S+ 0 0 161 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.930 118.1 37.5 -61.6 -47.2 30.0 13.6 0.7 18 362 A K H < S+ 0 0 73 -4,-2.8 -2,-0.2 2,-0.1 2,-0.2 0.834 130.0 4.8 -74.9 -39.9 32.0 16.3 2.4 19 363 A Y S < S- 0 0 28 -4,-2.9 157,-0.1 1,-0.3 5,-0.1 -0.535 104.9 -33.5-130.2-164.7 34.4 14.2 4.5 20 364 A G > - 0 0 24 -2,-0.2 4,-1.8 155,-0.2 -1,-0.3 -0.049 37.7-134.8 -54.9 159.9 35.4 10.6 5.0 21 365 A E H > S+ 0 0 113 2,-0.2 4,-1.7 1,-0.1 5,-0.2 0.866 119.3 53.4 -74.4 -37.6 32.8 7.8 4.8 22 366 A K H > S+ 0 0 132 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.864 103.8 55.7 -61.4 -39.5 34.7 6.9 8.0 23 367 A Y H > S+ 0 0 2 152,-0.4 4,-2.2 1,-0.2 3,-0.4 0.967 104.3 51.2 -59.5 -55.2 34.0 10.4 9.2 24 368 A S H X S+ 0 0 2 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.848 111.0 47.4 -50.9 -42.6 30.2 10.1 8.8 25 369 A K H X S+ 0 0 120 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.826 107.1 56.7 -71.3 -34.8 30.0 6.7 10.7 26 370 A M H X S+ 0 0 3 -4,-1.7 4,-2.2 -3,-0.4 -1,-0.2 0.939 105.8 52.2 -61.5 -43.6 32.2 8.1 13.5 27 371 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.916 110.0 48.2 -57.8 -46.7 29.6 10.9 13.9 28 372 A Q H X S+ 0 0 67 -4,-1.7 4,-3.1 2,-0.2 5,-0.2 0.904 107.3 54.6 -60.8 -47.4 26.8 8.3 14.1 29 373 A E H X S+ 0 0 82 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.939 113.2 44.3 -52.7 -44.8 28.6 6.3 16.7 30 374 A L H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.879 111.4 52.2 -66.7 -42.4 28.9 9.5 18.7 31 375 A A H X S+ 0 0 0 -4,-2.7 4,-0.8 2,-0.2 3,-0.2 0.967 115.2 42.7 -58.2 -51.1 25.3 10.5 18.1 32 376 A D H >< S+ 0 0 78 -4,-3.1 3,-1.7 1,-0.2 -2,-0.2 0.977 110.8 54.3 -56.7 -63.5 24.2 7.0 19.4 33 377 A K H 3< S+ 0 0 84 -4,-2.9 4,-0.3 1,-0.3 -1,-0.2 0.766 104.1 55.6 -41.3 -42.1 26.5 6.8 22.3 34 378 A S H >< S+ 0 0 0 -4,-1.8 3,-1.3 -3,-0.2 99,-0.4 0.713 74.0 113.9 -68.0 -32.2 25.3 10.1 23.8 35 379 A K T << S+ 0 0 96 -3,-1.7 2,-0.1 -4,-0.8 3,-0.1 -0.279 93.7 3.9 -46.3 117.2 21.7 9.3 24.0 36 380 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.3 55,-0.2 -2,-0.1 -0.106 99.8 123.4 97.0 -35.3 20.9 9.2 27.7 37 381 A K < - 0 0 39 -3,-1.3 95,-1.6 -4,-0.3 96,-0.6 -0.239 48.9-147.3 -64.3 144.4 24.3 10.3 28.9 38 382 A K - 0 0 138 93,-0.3 2,-0.6 94,-0.1 91,-0.1 -0.606 33.2 -89.1-104.0 168.1 24.6 13.3 31.2 39 383 A I - 0 0 27 89,-0.3 3,-0.2 -2,-0.2 92,-0.1 -0.734 50.9-171.9 -82.9 121.9 27.5 15.7 31.2 40 384 A G - 0 0 56 -2,-0.6 2,-1.0 123,-0.3 -1,-0.1 0.677 52.0 -13.1 -81.6-125.7 30.1 14.5 33.7 41 385 A N >> - 0 0 75 1,-0.2 4,-1.8 122,-0.1 3,-0.6 -0.770 55.6-161.4 -84.7 105.5 33.3 16.1 35.0 42 386 A V H 3> S+ 0 0 9 -2,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.793 88.6 60.8 -57.4 -25.1 33.8 19.0 32.5 43 387 A N H 3> S+ 0 0 101 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.877 101.0 49.1 -70.7 -41.8 37.4 19.1 33.8 44 388 A E H <> S+ 0 0 136 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.945 113.4 49.6 -62.7 -43.9 38.2 15.6 32.6 45 389 A A H X S+ 0 0 5 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.919 112.1 45.6 -60.2 -49.2 36.7 16.5 29.3 46 390 A L H X S+ 0 0 25 -4,-2.6 4,-3.6 1,-0.2 5,-0.3 0.959 111.6 54.6 -57.5 -53.8 38.7 19.8 28.9 47 391 A A H X S+ 0 0 64 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.858 110.8 43.7 -48.3 -44.2 41.8 18.0 30.0 48 392 A A H X S+ 0 0 21 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.871 115.8 48.7 -73.0 -35.4 41.4 15.4 27.3 49 393 A F H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 3,-0.4 0.951 107.9 52.0 -69.5 -49.9 40.5 18.0 24.6 50 394 A E H X S+ 0 0 59 -4,-3.6 4,-1.6 1,-0.3 -1,-0.2 0.863 109.6 53.6 -57.2 -31.0 43.4 20.3 25.4 51 395 A K H X S+ 0 0 128 -4,-1.2 4,-0.8 -5,-0.3 -1,-0.3 0.886 111.8 42.4 -71.2 -39.9 45.6 17.2 25.0 52 396 A Y H X S+ 0 0 9 -4,-1.5 4,-2.6 -3,-0.4 3,-0.3 0.871 108.4 61.0 -73.6 -37.0 44.2 16.4 21.6 53 397 A K H X S+ 0 0 22 -4,-3.0 4,-3.4 1,-0.2 -2,-0.2 0.888 99.4 54.8 -56.8 -46.3 44.3 20.1 20.5 54 398 A D H X S+ 0 0 81 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.849 110.4 46.6 -57.7 -38.2 48.1 20.3 20.9 55 399 A V H >X S+ 0 0 55 -4,-0.8 3,-1.8 -3,-0.3 4,-0.5 0.986 114.2 46.7 -67.6 -55.5 48.6 17.4 18.6 56 400 A L H >< S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.3 4,-0.4 0.909 107.9 56.8 -51.6 -50.4 46.2 18.8 16.0 57 401 A N H 3< S+ 0 0 35 -4,-3.4 3,-0.4 1,-0.3 -1,-0.3 0.624 96.1 64.5 -61.0 -14.7 47.7 22.3 16.2 58 402 A K H << S+ 0 0 163 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.656 101.2 51.8 -81.4 -16.6 51.2 20.9 15.3 59 403 A K S << S+ 0 0 122 -3,-2.2 2,-0.4 -4,-0.5 -1,-0.2 0.458 111.7 50.7 -95.9 -2.5 49.8 19.8 11.9 60 404 A F S S- 0 0 39 -4,-0.4 -1,-0.1 -3,-0.4 2,-0.0 -0.998 77.4-127.8-138.0 142.2 48.3 23.3 11.1 61 405 A S > - 0 0 59 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 -0.271 30.6-106.0 -83.5 167.9 49.7 26.8 11.1 62 406 A K H > S+ 0 0 121 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.937 124.0 52.3 -55.0 -50.2 48.3 29.9 12.8 63 407 A A H > S+ 0 0 67 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.893 106.2 55.8 -56.5 -38.8 47.2 31.2 9.5 64 408 A D H > S+ 0 0 79 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.888 110.8 42.6 -60.8 -46.0 45.4 27.9 8.9 65 409 A R H >X S+ 0 0 52 -4,-1.9 3,-1.9 -3,-0.2 4,-1.5 0.957 108.2 58.3 -65.6 -49.8 43.4 28.1 12.0 66 410 A D H 3X S+ 0 0 30 -4,-2.8 4,-2.7 1,-0.3 -2,-0.2 0.827 98.3 62.7 -48.6 -37.6 42.6 31.9 11.6 67 411 A A H 3X S+ 0 0 56 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.3 0.849 102.0 50.8 -57.8 -38.2 41.0 30.9 8.2 68 412 A I H < S+ 0 0 49 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.927 109.4 53.9 -65.7 -42.2 34.9 31.7 7.8 72 416 A L H >< S+ 0 0 10 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.741 94.1 69.7 -63.6 -24.4 32.8 31.4 11.0 73 417 A A T 3< S+ 0 0 68 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.684 97.8 53.0 -67.2 -16.2 32.6 35.2 11.1 74 418 A S T < S+ 0 0 99 -3,-1.7 2,-0.4 -4,-0.3 -1,-0.2 0.404 85.1 101.4-100.3 2.0 30.3 35.1 8.1 75 419 A V < - 0 0 36 -3,-1.3 2,-0.4 -4,-0.2 71,-0.1 -0.695 58.5-152.7 -88.7 133.5 27.8 32.5 9.5 76 420 A K > - 0 0 138 -2,-0.4 3,-1.5 1,-0.1 4,-0.5 -0.901 21.8-122.3-109.1 138.8 24.5 33.9 10.8 77 421 A Y T >> S+ 0 0 69 -2,-0.4 4,-2.9 1,-0.3 3,-1.5 0.843 108.1 62.8 -42.2 -48.6 22.6 32.0 13.5 78 422 A D H 3> S+ 0 0 127 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.860 94.8 66.2 -50.4 -35.2 19.5 31.6 11.4 79 423 A D H <4 S+ 0 0 74 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.750 120.4 11.7 -59.8 -35.8 21.5 29.5 8.9 80 424 A W H X4 S+ 0 0 0 -3,-1.5 3,-2.1 -4,-0.5 4,-0.3 0.700 112.2 73.5-116.7 -27.2 22.3 26.6 11.1 81 425 A A H >< S+ 0 0 13 -4,-2.9 3,-1.8 1,-0.3 4,-0.3 0.749 81.5 80.9 -60.3 -22.5 20.1 27.0 14.1 82 426 A K T 3< S+ 0 0 160 -4,-1.0 4,-0.3 -5,-0.4 -1,-0.3 0.740 88.5 53.5 -54.8 -26.5 17.3 26.0 11.8 83 427 A H T <> S+ 0 0 36 -3,-2.1 4,-1.7 1,-0.2 -1,-0.3 0.566 80.0 96.8 -89.3 -9.9 18.3 22.3 12.3 84 428 A L H <> S+ 0 0 12 -3,-1.8 4,-2.3 -4,-0.3 5,-0.2 0.895 81.9 47.0 -44.6 -61.1 18.2 22.3 16.1 85 429 A D H > S+ 0 0 73 -4,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.897 108.0 57.8 -54.1 -42.5 14.7 20.8 16.7 86 430 A Q H > S+ 0 0 44 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.929 110.5 42.3 -53.8 -49.5 15.3 18.0 14.1 87 431 A F H X S+ 0 0 1 -4,-1.7 4,-2.5 2,-0.2 6,-0.2 0.894 110.8 55.4 -67.7 -38.4 18.4 16.8 16.0 88 432 A A H <>S+ 0 0 8 -4,-2.3 5,-2.3 -5,-0.2 4,-0.5 0.937 111.1 46.9 -58.6 -42.5 16.7 17.2 19.4 89 433 A K H ><5S+ 0 0 88 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.936 112.0 48.2 -65.9 -48.1 13.9 14.9 18.0 90 434 A Y H 3<5S+ 0 0 34 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.827 114.9 45.2 -63.4 -33.0 16.2 12.3 16.6 91 435 A L T 3<5S- 0 0 4 -4,-2.5 -1,-0.3 -5,-0.2 -55,-0.2 0.459 106.7-128.3 -87.0 -3.8 18.2 12.2 19.8 92 436 A K T < 5 - 0 0 150 -3,-1.1 2,-0.3 -4,-0.5 -3,-0.2 0.826 34.8-175.9 62.5 30.5 15.1 12.0 21.9 93 437 A I < + 0 0 27 -5,-2.3 -1,-0.2 -6,-0.2 37,-0.1 -0.480 9.1 171.3 -60.9 119.6 16.2 14.9 24.1 94 438 A T + 0 0 128 -2,-0.3 -1,-0.2 -3,-0.2 3,-0.1 0.773 48.5 78.1-100.1 -35.8 13.4 14.9 26.5 95 439 A G S S- 0 0 24 34,-0.2 35,-0.1 35,-0.2 33,-0.0 0.186 100.8 -55.3 -61.2-173.1 14.8 17.4 29.1 96 440 A H - 0 0 114 1,-0.0 2,-0.5 31,-0.0 34,-0.2 -0.348 51.5-144.4 -67.8 154.6 14.8 21.1 28.6 97 441 A V - 0 0 33 -3,-0.1 2,-1.7 32,-0.1 3,-0.2 -0.965 8.7-146.4-127.2 114.4 16.5 22.6 25.5 98 442 A S > + 0 0 32 -2,-0.5 3,-0.7 28,-0.4 28,-0.0 -0.642 30.4 170.7 -79.5 88.6 18.4 25.9 25.4 99 443 A F T 3 + 0 0 100 -2,-1.7 -1,-0.2 1,-0.2 -15,-0.1 0.840 62.2 58.3 -67.1 -42.2 17.4 26.9 21.9 100 444 A G T 3 S+ 0 0 70 -3,-0.2 2,-0.5 2,-0.1 -1,-0.2 0.089 71.8 121.2 -85.1 25.2 18.7 30.4 21.6 101 445 A Y < - 0 0 22 -3,-0.7 2,-1.0 25,-0.1 3,-0.1 -0.758 47.9-155.5 -92.8 123.7 22.4 29.9 22.4 102 446 A D >> + 0 0 53 -2,-0.5 3,-1.1 1,-0.2 4,-0.8 -0.771 13.2 179.5-100.3 89.3 24.8 31.0 19.6 103 447 A V H >> S+ 0 0 1 -2,-1.0 4,-2.0 1,-0.2 3,-0.8 0.825 73.2 70.8 -54.3 -42.0 27.9 29.0 20.1 104 448 A V H 3> S+ 0 0 4 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.794 93.7 53.0 -50.0 -35.7 29.6 30.6 17.1 105 449 A S H <> S+ 0 0 49 -3,-1.1 4,-1.4 1,-0.2 -1,-0.3 0.864 111.0 49.5 -70.3 -32.1 30.0 34.0 18.9 106 450 A D H X S+ 0 0 15 -4,-2.0 3,-0.9 1,-0.2 4,-0.5 0.889 106.7 59.9 -64.9 -37.8 34.1 30.2 19.5 108 452 A L H >< S+ 0 0 53 -4,-2.0 3,-1.7 1,-0.3 4,-0.5 0.907 95.8 60.2 -58.3 -42.5 35.0 33.4 17.7 109 453 A K H >X S+ 0 0 136 -4,-1.4 3,-1.4 1,-0.3 4,-1.4 0.869 94.8 66.3 -54.3 -31.6 36.2 34.9 21.0 110 454 A I H + 0 0 10 -2,-0.6 4,-1.8 1,-0.1 5,-0.2 0.514 59.9 91.2 -96.1 -11.8 38.8 26.9 25.6 117 461 A K H > S+ 0 0 110 2,-0.2 4,-2.5 1,-0.2 3,-0.5 0.951 85.2 50.9 -51.4 -58.2 37.9 26.7 29.3 118 462 A P H > S+ 0 0 67 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.925 108.0 53.3 -47.6 -53.3 35.0 29.2 29.1 119 463 A L H > S+ 0 0 5 -4,-0.4 4,-2.8 1,-0.2 -2,-0.2 0.858 110.4 46.5 -49.8 -46.2 33.4 27.4 26.1 120 464 A F H X S+ 0 0 0 -4,-1.8 4,-2.0 -3,-0.5 -1,-0.2 0.919 111.3 50.6 -66.2 -44.8 33.4 24.1 28.0 121 465 A L H X S+ 0 0 50 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.950 113.4 45.8 -61.7 -42.6 32.0 25.5 31.1 122 466 A T H X S+ 0 0 39 -4,-3.1 4,-2.7 1,-0.2 5,-0.3 0.902 106.8 57.2 -72.0 -31.0 29.2 27.2 29.2 123 467 A L H X S+ 0 0 1 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.2 0.909 108.8 48.7 -61.4 -36.4 28.4 24.1 27.1 124 468 A E H X S+ 0 0 62 -4,-2.0 4,-1.4 1,-0.2 3,-0.4 0.982 112.5 48.0 -64.1 -51.3 27.9 22.4 30.5 125 469 A K H < S+ 0 0 123 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.856 112.6 45.9 -57.1 -44.1 25.6 25.2 31.8 126 470 A K H < S+ 0 0 84 -4,-2.7 -28,-0.4 1,-0.2 -1,-0.2 0.788 106.0 59.6 -72.9 -27.9 23.4 25.5 28.7 127 471 A A H >< S+ 0 0 1 -4,-1.5 3,-2.6 -3,-0.4 4,-0.3 0.853 80.2 159.3 -66.2 -34.2 23.0 21.7 28.4 128 472 A A G >< S- 0 0 55 -4,-1.4 3,-1.2 1,-0.3 -89,-0.3 -0.131 71.3 -12.2 47.5-133.6 21.5 21.9 31.9 129 473 A D G 3 S+ 0 0 88 1,-0.2 -1,-0.3 -3,-0.1 -34,-0.2 0.510 124.9 79.2 -72.5 -6.8 19.3 18.8 32.6 130 474 A A G X S- 0 0 10 -3,-2.6 3,-0.5 -34,-0.2 -1,-0.2 0.677 83.2-159.2 -76.9 -17.2 19.4 17.8 28.9 131 475 A G T X> - 0 0 2 -3,-1.2 3,-0.8 -4,-0.3 4,-0.6 -0.381 46.0 -25.6 79.7-154.6 22.9 16.2 29.1 132 476 A V H 3> S+ 0 0 0 -95,-1.6 4,-1.4 -98,-0.3 3,-0.2 0.744 122.6 71.3 -73.3 -26.2 25.4 15.4 26.4 133 477 A S H <> S+ 0 0 5 -96,-0.6 4,-2.0 -3,-0.5 -1,-0.2 0.688 91.0 60.3 -65.5 -21.0 22.9 15.1 23.6 134 478 A Y H <> S+ 0 0 3 -3,-0.8 4,-2.9 2,-0.2 -1,-0.2 0.936 101.5 53.1 -71.3 -43.4 22.3 18.8 23.7 135 479 A V H X S+ 0 0 0 -4,-0.6 4,-2.4 1,-0.2 5,-0.2 0.890 111.5 47.3 -56.3 -38.9 25.9 19.3 22.8 136 480 A V H X S+ 0 0 1 -4,-1.4 4,-2.3 2,-0.2 5,-0.3 0.895 111.2 48.6 -69.3 -46.2 25.5 17.0 19.8 137 481 A A H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.962 114.6 48.5 -58.4 -47.6 22.3 18.6 18.6 138 482 A L H >X S+ 0 0 2 -4,-2.9 4,-1.6 1,-0.2 3,-0.5 0.972 117.9 36.4 -55.7 -65.1 24.0 22.0 18.9 139 483 A L H 3X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.3 -1,-0.2 0.798 115.0 54.7 -64.5 -30.5 27.3 21.2 17.0 140 484 A F H 3X S+ 0 0 3 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.3 0.827 105.9 53.4 -70.8 -33.7 25.6 18.9 14.5 141 485 A S H < S+ 0 0 4 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.832 108.2 59.4 -60.3 -37.7 28.0 21.2 10.8 144 488 A A H 3< S+ 0 0 26 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.868 110.9 40.3 -61.1 -37.2 24.6 21.0 9.0 145 489 A G T 3< S+ 0 0 29 -4,-1.6 2,-0.3 -3,-0.3 -1,-0.2 0.155 114.7 46.6-102.2 20.4 24.7 24.6 8.0 146 490 A T < - 0 0 14 -3,-0.9 2,-0.4 -4,-0.2 -74,-0.0 -0.934 60.9-137.9-149.9 169.9 28.4 25.2 7.1 147 491 A T - 0 0 105 -2,-0.3 2,-0.2 -129,-0.0 -4,-0.1 -0.920 37.0-178.9-133.7 98.9 31.3 23.7 5.1 148 492 A L - 0 0 16 -2,-0.4 2,-0.1 -5,-0.1 -80,-0.1 -0.614 29.0-101.6-101.1 164.3 34.4 24.1 7.3 149 493 A G >> - 0 0 35 -2,-0.2 4,-1.6 1,-0.1 3,-1.2 -0.421 44.5 -96.2 -79.6 159.9 38.0 23.2 6.7 150 494 A I H 3> S+ 0 0 60 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.840 122.1 58.8 -44.6 -45.7 39.5 20.0 8.2 151 495 A W H 3> S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.890 107.9 46.3 -54.9 -42.6 40.9 21.9 11.2 152 496 A G H <> S+ 0 0 4 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.860 111.9 50.3 -68.9 -36.5 37.5 23.1 12.2 153 497 A I H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.940 111.7 49.8 -66.0 -42.7 35.9 19.6 11.7 154 498 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.867 111.9 46.9 -62.3 -44.6 38.6 18.2 13.9 155 499 A I H X S+ 0 0 8 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.961 113.4 47.5 -64.8 -48.7 38.1 20.7 16.6 156 500 A V H X S+ 0 0 9 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.861 114.5 47.3 -60.5 -39.3 34.3 20.3 16.6 157 501 A T H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.892 106.5 59.0 -68.1 -39.7 34.7 16.5 16.7 158 502 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.872 103.4 51.1 -57.1 -38.9 37.3 16.8 19.4 159 503 A I H X S+ 0 0 4 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.915 110.8 50.2 -65.8 -39.4 34.7 18.6 21.7 160 504 A L H X S+ 0 0 1 -4,-1.3 4,-2.5 2,-0.2 3,-0.4 0.960 111.8 45.6 -63.1 -53.6 32.3 15.7 21.0 161 505 A C H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.933 109.5 56.6 -59.0 -41.8 34.7 12.9 21.8 162 506 A S H < S+ 0 0 6 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.840 116.2 34.0 -60.1 -35.4 35.9 14.7 24.9 163 507 A Y H < S+ 0 0 9 -4,-1.5 2,-1.1 -3,-0.4 -123,-0.3 0.827 111.3 66.3 -83.9 -39.2 32.3 14.9 26.5 164 508 A I S < S- 0 0 0 -4,-2.5 2,-1.7 -5,-0.2 -1,-0.2 -0.751 96.4-124.9 -91.6 89.6 31.1 11.6 25.0 165 509 A D S S+ 0 0 102 -2,-1.1 2,-1.5 -3,-0.1 -1,-0.1 0.296 85.0 97.5 -8.0 -29.4 33.2 9.0 26.9 166 510 A K - 0 0 72 -2,-1.7 2,-2.1 1,-0.1 -2,-0.2 -0.682 62.6-159.9 -79.4 99.1 34.7 7.2 23.9 167 511 A N + 0 0 79 -2,-1.5 3,-0.3 1,-0.2 -2,-0.1 -0.709 34.8 151.1 -82.7 77.9 37.9 9.0 23.8 168 512 A K >> + 0 0 30 -2,-2.1 3,-1.9 1,-0.2 4,-0.8 -0.191 26.0 126.7 -97.4 27.6 38.4 8.0 20.2 169 513 A L H >> + 0 0 13 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.889 66.2 59.5 -55.5 -37.8 40.4 11.3 20.1 170 514 A N H 34 S+ 0 0 107 -3,-0.3 -1,-0.3 1,-0.2 4,-0.3 0.569 103.4 53.0 -68.2 -11.4 43.3 9.2 18.6 171 515 A T H <> S+ 0 0 43 -3,-1.9 4,-2.6 2,-0.1 -1,-0.2 0.597 86.1 80.8-100.5 -17.7 41.1 8.1 15.7 172 516 A I H S+ 0 0 23 -4,-0.6 5,-2.5 1,-0.2 4,-1.4 0.851 114.3 48.0 -56.0 -34.2 43.1 12.3 12.6 174 518 A E H 45S+ 0 0 128 -4,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.875 108.6 50.5 -72.7 -47.3 42.8 8.9 10.9 175 519 A V H <5S+ 0 0 18 -4,-2.6 -152,-0.4 1,-0.2 -2,-0.2 0.837 121.2 38.4 -61.5 -29.7 39.2 9.2 10.1 176 520 A L H <5S- 0 0 26 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.592 108.3-119.4 -97.4 -20.0 40.1 12.6 8.5 177 521 A G T <5 0 0 67 -4,-1.4 -3,-0.2 1,-0.2 -4,-0.1 0.884 360.0 360.0 83.4 43.6 43.5 11.9 6.9 178 522 A I < 0 0 61 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.858 360.0 360.0-131.1 360.0 45.7 14.3 8.8