==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 17-AUG-09 3IPK . COMPND 2 MOLECULE: AGI/II; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR M.R.LARSON,K.R.RAJASHANKAR,M.PATEL,R.ROBINETTE,P.CROWLEY, . 978 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48988.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 672 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 212 21.7 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 . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 88 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 223 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 3 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 2 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 8 13 4 6 0 9 1 3 1 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 . 1 3 2 0 1 1 0 0 2 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 1 386 A A > 0 0 119 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -42.5 138.8 69.9 -36.9 2 387 A A H > + 0 0 82 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.914 360.0 47.1 -56.3 -45.6 137.1 73.2 -37.5 3 388 A N H > S+ 0 0 127 2,-0.2 4,-3.6 1,-0.2 -1,-0.2 0.929 109.7 53.7 -62.4 -46.0 134.1 71.4 -39.0 4 389 A E H > S+ 0 0 69 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.913 109.3 47.5 -55.2 -46.8 134.0 69.0 -36.1 5 390 A A H X S+ 0 0 66 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.907 113.6 49.1 -61.2 -41.6 133.9 71.8 -33.6 6 391 A D H X S+ 0 0 89 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.944 111.8 48.7 -61.5 -49.3 131.1 73.4 -35.7 7 392 A Y H X S+ 0 0 31 -4,-3.6 4,-3.0 1,-0.2 -2,-0.2 0.933 109.8 51.2 -56.5 -50.4 129.2 70.2 -35.8 8 393 A Q H X S+ 0 0 75 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.836 108.6 52.0 -58.2 -35.5 129.5 69.6 -32.1 9 394 A A H X S+ 0 0 62 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.912 113.1 44.2 -68.1 -41.5 128.2 73.1 -31.4 10 395 A K H X S+ 0 0 95 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.872 110.8 55.6 -70.0 -35.8 125.2 72.4 -33.7 11 396 A L H X S+ 0 0 29 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.941 106.7 49.8 -60.9 -47.8 124.8 69.0 -32.1 12 397 A T H X S+ 0 0 78 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.924 110.2 50.4 -56.6 -46.6 124.5 70.6 -28.6 13 398 A A H X S+ 0 0 63 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.883 111.4 49.5 -59.2 -40.3 121.9 73.1 -29.9 14 399 A Y H X S+ 0 0 47 -4,-2.2 4,-3.4 2,-0.2 5,-0.2 0.963 110.3 48.7 -63.5 -53.8 119.9 70.2 -31.4 15 400 A Q H X S+ 0 0 109 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.879 113.4 47.6 -55.3 -41.8 120.0 68.1 -28.2 16 401 A T H X S+ 0 0 94 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.926 114.6 45.3 -67.4 -44.3 118.9 71.0 -26.1 17 402 A E H X S+ 0 0 76 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.923 110.2 54.4 -63.8 -45.1 116.1 71.9 -28.5 18 403 A L H X S+ 0 0 28 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.903 108.2 50.7 -54.4 -43.7 114.9 68.3 -28.8 19 404 A A H X S+ 0 0 50 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.870 109.4 50.4 -63.2 -39.3 114.7 68.2 -25.0 20 405 A R H X S+ 0 0 111 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.957 109.7 49.4 -63.7 -52.0 112.6 71.4 -24.9 21 406 A V H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.862 113.0 48.6 -55.5 -39.6 110.2 70.1 -27.6 22 407 A Q H X S+ 0 0 98 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.925 111.8 46.0 -69.6 -46.3 109.8 66.8 -25.7 23 408 A K H X S+ 0 0 147 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.871 111.8 55.3 -63.8 -34.7 109.2 68.4 -22.2 24 409 A A H X S+ 0 0 34 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.932 111.1 42.6 -62.3 -46.9 106.7 70.7 -24.0 25 410 A N H X S+ 0 0 29 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.878 110.8 56.0 -68.0 -38.4 104.8 67.8 -25.4 26 411 A A H X S+ 0 0 59 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.922 110.9 44.3 -59.4 -44.4 104.9 65.9 -22.1 27 412 A D H X S+ 0 0 96 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.865 112.5 53.5 -67.0 -35.4 103.3 68.9 -20.4 28 413 A A H X S+ 0 0 35 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.894 110.4 46.4 -65.5 -40.2 100.9 69.1 -23.3 29 414 A K H X S+ 0 0 110 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.896 107.2 57.1 -69.0 -40.7 100.0 65.5 -22.8 30 415 A A H X S+ 0 0 53 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.896 110.2 45.5 -56.4 -41.7 99.6 65.9 -19.0 31 416 A A H X S+ 0 0 61 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.914 110.9 52.1 -68.4 -44.8 97.1 68.6 -19.6 32 417 A Y H X S+ 0 0 82 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.929 109.6 49.4 -57.3 -47.8 95.2 66.6 -22.3 33 418 A E H X S+ 0 0 121 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.894 110.6 50.5 -59.4 -41.1 94.9 63.6 -19.9 34 419 A A H X S+ 0 0 61 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.879 110.1 50.0 -65.0 -38.0 93.6 65.9 -17.2 35 420 A A H X S+ 0 0 46 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.898 109.6 51.3 -66.5 -40.1 91.0 67.3 -19.6 36 421 A V H X S+ 0 0 35 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.871 107.8 53.2 -64.2 -37.7 90.0 63.8 -20.5 37 422 A A H X S+ 0 0 59 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.935 111.6 44.0 -63.0 -48.2 89.6 62.9 -16.8 38 423 A A H X S+ 0 0 63 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.917 112.8 51.9 -63.4 -45.8 87.3 65.9 -16.2 39 424 A N H X S+ 0 0 20 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.888 111.3 47.7 -58.9 -41.1 85.3 65.3 -19.4 40 425 A N H X S+ 0 0 84 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.890 111.4 49.5 -68.0 -40.9 84.7 61.6 -18.4 41 426 A A H X S+ 0 0 64 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.882 111.1 51.6 -64.8 -38.3 83.7 62.5 -14.8 42 427 A A H X S+ 0 0 41 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.916 114.3 41.5 -64.7 -46.0 81.3 65.1 -16.3 43 428 A N H X S+ 0 0 23 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.908 111.4 55.1 -69.3 -43.9 79.7 62.6 -18.7 44 429 A A H X S+ 0 0 62 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.925 115.0 40.3 -54.6 -46.2 79.6 59.8 -16.1 45 430 A A H X S+ 0 0 63 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.840 113.9 54.3 -71.1 -34.4 77.7 62.0 -13.8 46 431 A L H X S+ 0 0 27 -4,-1.9 4,-2.4 2,-0.2 423,-0.2 0.856 109.2 48.4 -68.3 -35.7 75.6 63.4 -16.6 47 432 A T H X S+ 0 0 71 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.961 113.5 44.7 -68.4 -53.3 74.5 59.9 -17.6 48 433 A A H X S+ 0 0 64 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.855 115.9 49.4 -59.5 -36.0 73.6 58.8 -14.1 49 434 A E H X S+ 0 0 70 -4,-2.1 4,-3.3 2,-0.2 -1,-0.2 0.912 109.5 49.8 -71.0 -43.0 71.8 62.1 -13.7 50 435 A N H X S+ 0 0 18 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.869 111.2 50.6 -63.0 -36.3 69.9 61.8 -17.0 51 436 A T H X S+ 0 0 90 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.928 112.2 46.4 -66.6 -44.8 68.8 58.3 -16.0 52 437 A A H X S+ 0 0 30 -4,-2.0 4,-2.7 1,-0.2 3,-0.4 0.955 110.9 52.2 -60.5 -51.1 67.6 59.6 -12.6 53 438 A I H X S+ 0 0 5 -4,-3.3 4,-2.1 1,-0.3 413,-0.3 0.870 107.6 53.7 -51.8 -39.9 65.8 62.5 -14.3 54 439 A K H X S+ 0 0 128 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.3 0.882 109.9 47.5 -64.2 -39.2 64.2 59.9 -16.6 55 440 A K H X S+ 0 0 143 -4,-1.8 4,-2.7 -3,-0.4 3,-0.4 0.957 110.1 50.3 -67.2 -52.6 63.0 58.0 -13.5 56 441 A R H X S+ 0 0 114 -4,-2.7 4,-3.3 1,-0.3 5,-0.3 0.908 109.2 51.3 -53.1 -47.9 61.6 60.9 -11.6 57 442 A N H X S+ 0 0 27 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.3 0.852 111.1 50.0 -59.9 -33.7 59.6 62.2 -14.6 58 443 A A H X S+ 0 0 54 -4,-1.2 4,-2.5 -3,-0.4 -2,-0.2 0.931 113.6 44.0 -69.7 -46.9 58.1 58.7 -14.9 59 444 A D H X S+ 0 0 76 -4,-2.7 4,-3.4 2,-0.2 5,-0.4 0.956 113.5 50.1 -62.0 -52.1 57.2 58.5 -11.3 60 445 A A H X S+ 0 0 28 -4,-3.3 4,-1.8 1,-0.2 -1,-0.2 0.885 111.9 49.8 -53.7 -41.3 55.7 62.0 -11.2 61 446 A K H X S+ 0 0 94 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.933 113.7 44.8 -64.2 -46.4 53.8 61.1 -14.3 62 447 A A H X S+ 0 0 49 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.949 112.7 49.0 -63.6 -51.9 52.4 57.9 -12.8 63 448 A D H X S+ 0 0 97 -4,-3.4 4,-1.5 1,-0.2 -1,-0.2 0.858 111.8 52.7 -56.8 -35.1 51.6 59.5 -9.4 64 449 A Y H X S+ 0 0 62 -4,-1.8 4,-1.8 -5,-0.4 3,-0.3 0.938 108.5 47.2 -66.0 -48.5 49.8 62.2 -11.4 65 450 A E H X S+ 0 0 102 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.770 109.6 56.6 -64.4 -25.2 47.7 59.8 -13.4 66 451 A A H X S+ 0 0 62 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.852 107.4 47.0 -73.6 -35.8 46.9 58.0 -10.1 67 452 A K H X S+ 0 0 105 -4,-1.5 4,-2.4 -3,-0.3 -2,-0.2 0.800 108.7 56.1 -74.5 -30.1 45.5 61.3 -8.6 68 453 A L H X S+ 0 0 65 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.833 103.1 54.2 -70.8 -33.3 43.5 61.9 -11.8 69 454 A A H X S+ 0 0 61 -4,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.907 114.1 41.1 -66.7 -41.7 41.8 58.5 -11.5 70 455 A K H X S+ 0 0 136 -4,-1.2 4,-2.9 2,-0.2 5,-0.2 0.887 116.6 50.0 -71.6 -39.6 40.7 59.4 -7.9 71 456 A Y H X S+ 0 0 49 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.919 106.2 54.9 -63.6 -46.1 39.9 62.9 -9.0 72 457 A Q H X S+ 0 0 147 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.861 113.8 43.0 -56.2 -36.9 37.8 61.7 -12.0 73 458 A A H X S+ 0 0 57 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.940 115.4 45.6 -75.9 -50.2 35.8 59.6 -9.5 74 459 A D H X S+ 0 0 59 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.886 113.5 51.9 -60.8 -38.3 35.4 62.2 -6.8 75 460 A L H X S+ 0 0 35 -4,-3.3 4,-2.4 -5,-0.2 -1,-0.2 0.878 107.9 51.3 -66.1 -38.5 34.5 64.9 -9.4 76 461 A A H X S+ 0 0 60 -4,-1.3 4,-1.8 -5,-0.3 -1,-0.2 0.909 112.2 46.6 -64.9 -41.8 31.8 62.6 -10.9 77 462 A K H X S+ 0 0 128 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.883 110.9 53.1 -67.3 -39.9 30.3 62.1 -7.4 78 463 A Y H X S+ 0 0 44 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.956 110.3 45.3 -59.9 -53.8 30.5 65.8 -6.7 79 464 A Q H X S+ 0 0 114 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.867 114.4 50.2 -59.3 -38.0 28.6 66.9 -9.8 80 465 A K H X S+ 0 0 123 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.948 112.6 45.4 -66.0 -49.6 26.0 64.1 -9.2 81 466 A D H X S+ 0 0 35 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.887 111.5 52.2 -62.6 -40.1 25.4 65.1 -5.6 82 467 A L H < S+ 0 0 82 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.901 109.3 51.0 -63.0 -38.7 25.2 68.8 -6.5 83 468 A A H < S+ 0 0 68 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.2 0.880 116.9 39.5 -64.9 -38.3 22.7 67.9 -9.2 84 469 A D H >X S+ 0 0 48 -4,-2.0 4,-2.3 1,-0.2 3,-0.5 0.680 91.7 91.2 -84.7 -20.9 20.6 66.0 -6.6 85 470 A Y H 3X S+ 0 0 56 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.871 86.1 47.3 -42.3 -55.4 21.1 68.4 -3.7 86 471 A P H 3> S+ 0 0 81 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.876 113.0 49.0 -58.8 -39.1 18.0 70.6 -4.4 87 472 A V H <> S+ 0 0 109 -3,-0.5 4,-1.6 -4,-0.3 -2,-0.2 0.879 113.6 46.1 -68.6 -39.3 15.7 67.5 -4.8 88 473 A K H X S+ 0 0 88 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.911 112.6 50.2 -68.9 -43.7 16.9 65.9 -1.6 89 474 A L H X S+ 0 0 39 -4,-2.8 4,-3.2 -5,-0.3 5,-0.3 0.900 107.8 53.9 -62.7 -39.7 16.6 69.2 0.3 90 475 A K H X S+ 0 0 129 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.911 108.4 48.8 -60.8 -43.0 13.1 69.6 -0.9 91 476 A A H X S+ 0 0 35 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.894 113.7 48.6 -63.7 -39.0 12.1 66.2 0.3 92 477 A Y H X S+ 0 0 44 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.961 114.4 42.7 -64.4 -54.0 13.7 67.0 3.6 93 478 A E H X S+ 0 0 83 -4,-3.2 4,-2.3 1,-0.2 5,-0.2 0.899 113.5 53.9 -61.4 -41.6 12.0 70.4 4.1 94 479 A D H X S+ 0 0 80 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.2 0.939 111.5 44.1 -58.7 -48.0 8.7 69.0 2.9 95 480 A E H X S+ 0 0 30 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.915 111.4 53.4 -64.8 -42.7 8.8 66.2 5.5 96 481 A Q H X S+ 0 0 61 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.885 110.5 47.9 -58.7 -39.3 9.9 68.5 8.3 97 482 A T H X S+ 0 0 95 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.913 112.1 50.0 -67.1 -41.5 7.0 70.8 7.4 98 483 A S H X S+ 0 0 80 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.893 111.5 47.9 -63.5 -42.0 4.7 67.8 7.4 99 484 A I H X S+ 0 0 14 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.925 108.2 54.6 -65.3 -45.6 6.0 66.6 10.8 100 485 A K H X S+ 0 0 161 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.910 111.5 45.3 -54.3 -44.1 5.6 70.0 12.3 101 486 A A H X S+ 0 0 61 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.878 110.9 52.3 -68.4 -39.6 1.9 70.1 11.3 102 487 A A H X S+ 0 0 36 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.902 109.2 50.8 -63.5 -40.4 1.3 66.5 12.5 103 488 A L H X S+ 0 0 47 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.866 107.1 53.1 -65.9 -36.1 2.8 67.4 15.9 104 489 A A H < S+ 0 0 63 -4,-1.6 4,-0.4 -5,-0.2 -1,-0.2 0.916 112.2 45.8 -65.1 -40.8 0.5 70.5 16.1 105 490 A E H >< S+ 0 0 91 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.928 107.9 56.2 -66.7 -44.7 -2.5 68.3 15.5 106 491 A L H >< S+ 0 0 22 -4,-2.7 3,-2.5 1,-0.3 4,-0.5 0.792 90.9 73.8 -57.8 -29.5 -1.3 65.6 18.0 107 492 A E G >< S+ 0 0 90 -4,-1.4 3,-0.6 1,-0.3 -1,-0.3 0.799 90.6 59.2 -55.0 -28.6 -1.2 68.3 20.7 108 493 A K G < S+ 0 0 149 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.524 114.0 34.4 -79.7 -6.3 -5.0 68.1 20.6 109 494 A H G X S+ 0 0 60 -3,-2.5 3,-2.2 -4,-0.2 -1,-0.2 0.209 75.1 119.1-132.3 15.7 -5.0 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133.5 4.0 64.9 21.4 120 505 A S - 0 0 17 -4,-0.0 2,-0.2 2,-0.0 -4,-0.1 -0.988 39.6-117.6-162.2 154.2 7.2 64.1 19.6 121 506 A A - 0 0 19 -2,-0.3 2,-0.7 322,-0.1 324,-0.2 -0.553 27.2-124.8 -91.3 161.3 8.5 62.7 16.3 122 507 A Q B +b 445 0B 1 322,-3.3 324,-2.1 -2,-0.2 184,-0.1 -0.920 29.6 173.3-108.4 105.2 10.5 59.5 16.1 123 508 A N + 0 0 18 -2,-0.7 111,-3.0 182,-0.3 2,-0.6 0.442 61.3 81.9 -90.3 0.6 13.8 60.3 14.3 124 509 A L E -C 233 0C 3 109,-0.2 2,-0.8 312,-0.1 109,-0.2 -0.920 57.8-171.5-110.6 111.5 15.1 56.8 15.1 125 510 A V E +C 232 0C 30 107,-3.2 107,-2.2 -2,-0.6 2,-0.2 -0.898 33.0 136.4-101.7 106.1 13.9 54.1 12.7 126 511 A Y + 0 0 2 -2,-0.8 310,-2.9 105,-0.2 311,-0.5 -0.679 20.2 106.1-155.6 90.4 15.1 50.9 14.4 127 512 A D S S+ 0 0 56 1,-0.2 2,-0.3 -2,-0.2 104,-0.1 0.473 70.6 40.4-149.6 -3.0 12.8 47.9 14.5 128 513 A L + 0 0 93 -3,-0.1 -1,-0.2 102,-0.1 102,-0.2 -0.777 43.7 151.2-158.0 109.3 13.7 45.1 12.1 129 514 A E > + 0 0 0 -2,-0.3 3,-1.5 1,-0.1 139,-0.1 -0.476 7.5 157.8-138.6 65.9 17.1 43.7 11.3 130 515 A P T 3 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.762 78.0 48.7 -58.9 -32.1 16.9 40.0 10.3 131 516 A N T 3 S+ 0 0 22 96,-0.1 615,-0.3 2,-0.1 616,-0.1 0.245 81.2 132.2 -97.2 13.1 20.1 40.0 8.3 132 517 A A < - 0 0 0 -3,-1.5 2,-0.4 613,-0.1 95,-0.2 -0.319 50.9-134.7 -66.0 147.3 22.2 41.6 11.0 133 518 A N E -E 226 0D 13 93,-2.3 93,-2.4 612,-0.1 2,-0.4 -0.879 16.1-150.0-106.3 138.3 25.6 40.1 11.8 134 519 A L E -E 225 0D 8 -2,-0.4 2,-0.4 610,-0.3 91,-0.2 -0.901 14.7-179.3-113.3 132.4 26.7 39.6 15.4 135 520 A S E -E 224 0D 62 89,-1.9 89,-2.4 -2,-0.4 2,-0.4 -0.997 15.1-160.4-130.1 131.5 30.2 39.6 16.9 136 521 A L E -E 223 0D 13 -2,-0.4 2,-0.3 87,-0.2 50,-0.3 -0.884 17.5-179.6-119.1 134.7 30.7 39.0 20.6 137 522 A T E +E 222 0D 89 85,-1.7 85,-2.7 -2,-0.4 2,-0.3 -0.916 18.9 169.3-114.3 159.8 33.4 39.6 23.2 138 523 A T E -E 221 0D 36 -2,-0.3 83,-0.2 83,-0.3 4,-0.1 -0.978 43.5-146.5-162.8 147.2 33.1 38.7 26.9 139 524 A D S S+ 0 0 93 81,-1.4 82,-0.1 -2,-0.3 2,-0.1 0.229 94.0 63.3 -94.8 9.8 34.9 38.3 30.1 140 525 A G S S- 0 0 16 80,-0.6 2,-0.4 75,-0.1 75,-0.2 0.046 102.7 -63.9-104.3-141.5 32.6 35.4 30.9 141 526 A K E -N 214 0E 118 73,-2.3 73,-2.4 -2,-0.1 2,-0.3 -0.946 32.6-137.4-121.2 132.8 32.2 32.1 29.0 142 527 A F E -N 213 0E 36 41,-0.5 41,-2.3 -2,-0.4 2,-0.4 -0.619 26.7-138.3 -79.1 143.7 31.1 31.4 25.5 143 528 A L B -S 182 0F 2 69,-2.2 69,-0.4 39,-0.3 44,-0.4 -0.899 13.7-115.6-111.1 133.3 28.7 28.4 25.3 144 529 A K > - 0 0 72 37,-2.9 4,-2.0 -2,-0.4 3,-0.3 -0.285 17.7-130.2 -60.5 143.9 28.8 25.7 22.6 145 530 A A H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.879 112.6 54.6 -62.3 -35.3 25.7 25.5 20.4 146 531 A S H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.813 105.9 51.3 -68.6 -29.5 25.7 21.8 21.2 147 532 A A H > S+ 0 0 6 -3,-0.3 4,-1.9 34,-0.2 -1,-0.2 0.883 110.3 47.9 -73.9 -39.3 25.7 22.5 24.9 148 533 A V H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.899 111.7 51.2 -67.1 -39.3 22.7 24.9 24.6 149 534 A D H X S+ 0 0 42 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.927 110.2 48.4 -63.0 -44.9 20.9 22.2 22.5 150 535 A D H < S+ 0 0 64 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.865 110.0 52.8 -64.1 -35.6 21.6 19.6 25.1 151 536 A A H >< S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.2 21,-0.4 0.920 107.9 49.9 -66.6 -43.4 20.3 21.9 27.8 152 537 A F H 3< S+ 0 0 0 -4,-2.2 9,-0.4 1,-0.2 -1,-0.2 0.817 107.3 56.3 -64.0 -30.1 17.0 22.6 26.0 153 538 A S T 3< S+ 0 0 29 -4,-1.5 -1,-0.2 -5,-0.2 2,-0.2 0.516 106.9 58.5 -81.6 -4.1 16.5 18.8 25.6 154 539 A K S X S- 0 0 83 -3,-1.2 3,-1.2 -4,-0.4 4,-0.4 -0.658 96.0 -3.3-120.0 174.8 16.7 18.2 29.3 155 540 A S G > S- 0 0 60 1,-0.2 3,-1.4 -2,-0.2 4,-0.4 -0.037 121.3 -3.8 47.7-137.1 15.0 19.1 32.5 156 541 A T G 3 S+ 0 0 49 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.653 134.8 48.8 -63.0 -22.1 12.2 21.7 32.5 157 542 A S G <> S+ 0 0 1 -3,-1.2 4,-2.4 -6,-0.3 10,-0.3 0.441 86.5 91.6 -97.7 0.2 12.4 22.6 28.8 158 543 A K H <> S+ 0 0 106 -3,-1.4 4,-2.8 -4,-0.4 5,-0.2 0.905 79.3 55.4 -60.6 -47.4 12.4 19.0 27.6 159 544 A A H 4 S+ 0 0 70 -4,-0.4 -1,-0.2 1,-0.2 4,-0.2 0.914 114.6 40.8 -52.8 -47.0 8.6 18.6 27.2 160 545 A K H >4>S+ 0 0 70 -4,-0.3 5,-1.8 1,-0.2 3,-1.6 0.902 112.0 56.1 -68.4 -41.8 8.5 21.6 24.8 161 546 A Y H ><5S+ 0 0 33 -4,-2.4 3,-1.9 -9,-0.4 -2,-0.2 0.891 102.2 55.5 -57.8 -42.9 11.7 20.5 23.1 162 547 A D T 3<5S+ 0 0 102 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.586 104.5 56.0 -68.3 -7.7 10.2 17.2 22.2 163 548 A Q T < 5S- 0 0 122 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.068 125.3-103.4-108.6 20.8 7.4 19.1 20.6 164 549 A K T < 5S+ 0 0 125 -3,-1.9 35,-2.2 1,-0.2 2,-0.4 0.834 83.7 126.4 60.1 36.9 9.9 21.0 18.3 165 550 A I E < -t 199 0G 38 -5,-1.8 2,-0.9 33,-0.2 -2,-0.2 -0.987 54.0-149.1-127.7 131.4 9.6 24.1 20.5 166 551 A L E -t 200 0G 0 33,-2.7 35,-1.5 -2,-0.4 2,-1.1 -0.861 17.1-171.2 -99.2 101.2 12.5 26.1 22.1 167 552 A Q >> - 0 0 33 -2,-0.9 3,-1.9 -10,-0.3 4,-0.5 -0.771 3.2-174.1 -96.2 91.4 10.9 27.5 25.2 168 553 A L G >4 S+ 0 0 0 -2,-1.1 3,-1.3 1,-0.3 -1,-0.2 0.858 80.0 57.0 -54.9 -40.9 13.6 29.8 26.5 169 554 A D G 34 S+ 0 0 52 1,-0.3 -1,-0.3 -3,-0.1 260,-0.0 0.522 106.8 51.5 -73.1 -1.7 11.8 30.7 29.8 170 555 A D G <4 S+ 0 0 27 -3,-1.9 2,-0.3 -13,-0.1 -1,-0.3 0.458 80.4 121.2-107.0 -8.1 11.7 27.0 30.6 171 556 A L << - 0 0 0 -3,-1.3 2,-0.8 -4,-0.5 106,-0.2 -0.436 56.4-145.5 -65.9 121.2 15.4 26.4 30.1 172 557 A D > - 0 0 13 -21,-0.4 3,-1.2 -2,-0.3 104,-0.2 -0.781 5.6-160.7 -87.8 107.5 17.2 25.1 33.2 173 558 A I G > S+ 0 0 1 102,-2.4 3,-2.2 -2,-0.8 4,-0.2 0.512 71.6 96.5 -70.4 -3.0 20.7 26.7 33.1 174 559 A T G > S+ 0 0 56 101,-0.3 3,-1.0 1,-0.3 -1,-0.3 0.867 82.8 53.0 -52.0 -38.0 21.9 24.1 35.5 175 560 A N G < S+ 0 0 40 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.155 99.9 61.4 -88.5 20.6 23.2 22.1 32.5 176 561 A L G < S+ 0 0 1 -3,-2.2 -1,-0.2 -25,-0.1 -2,-0.2 0.209 84.2 80.7-124.0 8.6 25.2 25.0 31.0 177 562 A E < + 0 0 74 -3,-1.0 2,-0.3 -4,-0.2 -2,-0.1 0.227 66.5 101.6-103.9 13.2 27.5 25.4 34.0 178 563 A Q S > S- 0 0 78 1,-0.1 3,-2.0 -3,-0.1 4,-0.4 -0.682 78.0-119.2 -98.8 153.3 30.1 22.7 33.3 179 564 A S G > S+ 0 0 109 1,-0.3 3,-1.2 -2,-0.3 -1,-0.1 0.808 111.8 62.3 -58.5 -32.4 33.5 23.2 31.8 180 565 A N G 3 S+ 0 0 101 1,-0.2 -1,-0.3 -33,-0.0 -33,-0.0 0.508 93.5 64.9 -74.2 -1.8 32.7 21.0 28.8 181 566 A D G < S+ 0 0 10 -3,-2.0 -37,-2.9 -34,-0.1 2,-0.3 0.634 79.3 104.5 -91.5 -15.9 29.9 23.5 27.8 182 567 A V B < -S 143 0F 49 -3,-1.2 -39,-0.3 -4,-0.4 2,-0.2 -0.506 57.1-156.3 -73.9 127.1 32.5 26.2 27.1 183 568 A A - 0 0 11 -41,-2.3 -41,-0.5 -2,-0.3 3,-0.1 -0.593 24.5-123.6 -98.3 162.8 33.2 27.1 23.5 184 569 A S S S- 0 0 73 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.551 92.2 -5.5 -80.3 -9.6 36.4 28.7 22.0 185 570 A S S S- 0 0 12 586,-0.0 -1,-0.1 587,-0.0 -48,-0.1 -0.962 100.5 -51.6-168.8 174.0 34.2 31.5 20.4 186 571 A M - 0 0 12 -2,-0.3 2,-0.4 -50,-0.3 585,-0.1 -0.296 49.8-170.9 -60.9 141.4 30.6 32.5 19.9 187 572 A E - 0 0 44 -44,-0.4 25,-0.8 25,-0.2 2,-0.3 -0.998 16.2-129.1-135.6 136.9 28.3 29.9 18.3 188 573 A L E +O 211 0E 24 -2,-0.4 2,-0.3 554,-0.2 23,-0.2 -0.620 26.9 171.7 -91.8 146.3 24.8 30.5 17.1 189 574 A Y E +O 210 0E 17 21,-1.7 21,-2.3 -2,-0.3 2,-0.3 -0.976 22.8 97.8-146.3 153.9 21.7 28.4 18.0 190 575 A G E S-O 209 0E 3 -2,-0.3 2,-1.4 2,-0.2 19,-0.2 -0.980 83.9 -37.6 157.7-163.9 18.0 28.9 17.4 191 576 A N S S+ 0 0 11 17,-1.1 2,-0.3 -2,-0.3 18,-0.1 -0.411 102.4 93.4 -91.0 63.3 15.3 27.7 15.0 192 577 A F S > S+ 0 0 22 -2,-1.4 3,-1.8 15,-0.1 -2,-0.2 -0.853 72.7 17.3-139.1 174.0 17.4 27.7 11.9 193 578 A G G > S+ 0 0 8 1,-0.3 3,-1.9 -2,-0.3 547,-0.2 -0.426 138.1 4.6 62.1-128.7 19.5 25.1 10.1 194 579 A D G 3 S+ 0 0 103 1,-0.3 -1,-0.3 545,-0.3 3,-0.1 0.455 142.1 47.7 -67.2 0.2 18.5 21.6 11.3 195 580 A K G X S+ 0 0 12 -3,-1.8 3,-1.8 544,-0.1 -1,-0.3 -0.014 70.2 125.0-128.9 28.7 15.7 23.4 13.3 196 581 A A T < S+ 0 0 61 -3,-1.9 -2,-0.1 1,-0.3 -3,-0.1 0.698 76.5 49.5 -61.8 -21.7 14.4 25.7 10.6 197 582 A G T 3 S+ 0 0 72 -4,-0.1 -1,-0.3 -5,-0.1 2,-0.1 0.310 92.5 103.4-102.4 9.7 10.9 24.3 11.1 198 583 A W < - 0 0 41 -3,-1.8 2,-0.3 -8,-0.1 -33,-0.2 -0.363 63.9-128.1 -87.3 167.9 10.8 24.7 14.9 199 584 A S E -t 165 0G 67 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