==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN FIBRIL 15-JUL-10 3NYJ . COMPND 2 MOLECULE: AMYLOID BETA A4 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.HA,J.HU,S.LEE,X.LIU . 181 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12240.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 93.9 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 74.6 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 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 3 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 1 360 A L 0 0 74 0, 0.0 12,-0.0 0, 0.0 11,-0.0 0.000 360.0 360.0 360.0 -37.2 -59.1 18.5 10.0 2 361 A E + 0 0 110 1,-0.0 0, 0.0 0, 0.0 0, 0.0 0.453 360.0 14.3 -86.1 -1.1 -60.2 22.0 10.8 3 362 A T S S+ 0 0 90 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.543 81.4 145.2-130.6 -67.9 -61.0 22.7 7.2 4 363 A P + 0 0 83 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.796 15.6 176.4 17.0 133.1 -61.3 19.5 4.8 5 364 A G + 0 0 71 3,-0.0 2,-0.3 4,-0.0 4,-0.0 0.695 39.2 113.4-125.4 -33.4 -63.7 19.2 1.9 6 365 A D - 0 0 141 1,-0.1 6,-0.3 3,-0.0 5,-0.1 -0.298 69.5-131.0 -50.7 105.7 -63.3 16.0 -0.1 7 366 A E S S+ 0 0 172 -2,-0.3 -1,-0.1 4,-0.1 5,-0.1 0.766 82.9 80.3 -24.7 -77.9 -66.7 14.4 0.8 8 367 A N > - 0 0 90 1,-0.1 4,-0.8 2,-0.1 -3,-0.0 -0.081 59.2-169.5 -43.3 129.3 -65.6 10.8 1.9 9 368 A E H > S+ 0 0 27 2,-0.2 4,-2.4 3,-0.1 5,-0.4 0.889 77.5 65.3 -91.6 -47.2 -64.3 10.9 5.4 10 369 A H H > S+ 0 0 133 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.869 102.8 58.5 -44.4 -35.7 -62.7 7.5 5.9 11 370 A A H > S+ 0 0 40 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.990 114.2 31.9 -52.7 -72.4 -60.4 8.9 3.3 12 371 A H H X S+ 0 0 42 -4,-0.8 4,-2.5 -6,-0.3 5,-0.3 0.951 117.0 55.2 -49.1 -65.9 -59.3 11.9 5.3 13 372 A F H X S+ 0 0 34 -4,-2.4 4,-2.2 1,-0.3 5,-0.2 0.849 109.9 48.5 -36.9 -49.0 -59.6 10.3 8.7 14 373 A Q H X S+ 0 0 40 -4,-2.7 4,-2.8 -5,-0.4 -1,-0.3 0.946 110.7 51.5 -59.3 -49.2 -57.2 7.6 7.4 15 374 A K H X S+ 0 0 77 -4,-2.4 4,-2.8 -3,-0.3 -2,-0.2 0.844 109.2 50.0 -56.1 -39.9 -54.9 10.4 6.1 16 375 A A H X S+ 0 0 36 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.897 112.5 45.2 -68.2 -42.2 -54.9 12.1 9.4 17 376 A K H X S+ 0 0 64 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.925 112.6 56.8 -65.7 -39.0 -54.0 9.0 11.4 18 377 A E H >X S+ 0 0 55 -4,-2.8 4,-1.7 -5,-0.2 3,-0.8 0.970 112.0 36.4 -53.0 -66.5 -51.5 8.3 8.7 19 378 A R H 3X S+ 0 0 175 -4,-2.8 4,-0.8 1,-0.3 -1,-0.2 0.751 109.8 63.6 -64.6 -22.4 -49.6 11.6 9.0 20 379 A L H 3X S+ 0 0 53 -4,-1.8 4,-2.1 -5,-0.2 3,-0.3 0.921 109.2 43.4 -63.9 -37.1 -50.1 11.4 12.8 21 380 A E H S+ 0 0 142 -4,-0.2 4,-1.3 -5,-0.2 -1,-0.2 0.972 115.0 34.0 -61.3 -58.8 -40.1 11.1 13.6 27 386 A R H X S+ 0 0 53 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.825 120.3 53.5 -67.1 -30.5 -40.0 12.7 17.1 28 387 A X H >X S+ 0 0 66 -4,-3.8 4,-1.9 -5,-0.2 3,-1.5 0.953 106.3 48.3 -71.1 -50.8 -39.8 9.2 18.7 29 388 A S H 3X S+ 0 0 71 -4,-3.3 4,-0.7 -5,-0.3 -1,-0.2 0.805 103.9 63.8 -60.2 -26.5 -36.8 8.0 16.7 30 389 A Q H 3X S+ 0 0 107 -4,-1.3 4,-1.2 -5,-0.2 -1,-0.3 0.771 106.5 43.9 -65.3 -28.2 -35.1 11.3 17.6 31 390 A V H X S+ 0 0 24 -4,-1.6 3,-1.6 1,-0.3 4,-1.3 0.880 108.2 44.5 -44.0 -54.3 -26.6 9.5 25.8 39 398 A E H 3< S+ 0 0 87 -4,-2.8 4,-0.4 1,-0.3 -1,-0.3 0.862 98.3 74.9 -62.0 -34.1 -25.7 6.0 27.0 40 399 A R T 3< S+ 0 0 63 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.510 103.7 39.4 -56.9 -3.5 -22.6 6.2 24.9 41 400 A Q T X4 S+ 0 0 65 -3,-1.6 3,-1.6 -4,-0.3 -1,-0.2 0.726 104.8 59.4-112.3 -44.7 -21.2 8.6 27.5 42 401 A A T 3< S+ 0 0 3 -4,-1.3 8,-0.3 1,-0.3 -2,-0.2 0.366 84.6 96.8 -67.7 9.6 -22.4 7.0 30.8 43 402 A K T 3 S+ 0 0 82 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.822 96.8 21.6 -68.9 -35.9 -20.4 4.1 29.4 44 403 A N S < S+ 0 0 101 -3,-1.6 -1,-0.2 -4,-0.0 -2,-0.2 0.147 112.4 95.4-117.0 14.6 -17.3 5.0 31.4 45 404 A L S S- 0 0 95 1,-0.2 5,-0.1 -4,-0.2 -3,-0.0 -0.552 91.0 -67.0 -99.4 168.3 -19.3 7.0 34.0 46 405 A P > - 0 0 85 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.030 42.4-118.8 -48.0 163.4 -20.5 5.7 37.3 47 406 A K H > S+ 0 0 87 1,-0.2 4,-1.1 2,-0.2 -5,-0.0 0.589 115.1 62.5 -81.8 -10.1 -23.3 3.1 37.2 48 407 A A H > S+ 0 0 76 2,-0.2 4,-1.0 3,-0.1 -1,-0.2 0.827 105.4 44.0 -79.9 -36.5 -25.5 5.6 39.1 49 408 A D H >> S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 3,-0.7 0.931 108.9 55.8 -72.4 -50.2 -25.2 8.0 36.2 50 409 A K H 3X S+ 0 0 37 -4,-1.8 4,-1.8 1,-0.3 -2,-0.2 0.902 109.7 50.8 -46.1 -44.6 -25.8 5.3 33.6 51 410 A K H 3X S+ 0 0 70 -4,-1.1 4,-2.5 1,-0.2 -1,-0.3 0.811 108.1 48.8 -64.3 -37.1 -28.9 4.7 35.6 52 411 A A H X S+ 0 0 113 -4,-2.2 4,-1.1 2,-0.2 3,-0.8 0.974 116.3 34.3 -73.6 -55.7 -34.4 10.4 32.2 57 416 A F H 3X S+ 0 0 21 -4,-2.2 4,-1.8 1,-0.3 -2,-0.2 0.720 108.6 66.7 -69.3 -25.3 -35.0 9.2 28.7 58 417 A Q H 3X S+ 0 0 49 -4,-2.4 4,-0.7 -5,-0.3 -1,-0.3 0.852 108.9 41.1 -63.0 -29.8 -37.3 6.5 29.9 59 418 A E H X S+ 0 0 69 -4,-2.2 4,-2.6 2,-0.2 3,-0.9 0.974 113.7 38.8 -48.7 -67.4 -43.9 12.1 27.7 64 423 A L H 3X S+ 0 0 45 -4,-2.5 4,-2.3 1,-0.3 5,-0.4 0.941 112.6 55.3 -50.9 -56.0 -44.1 11.6 23.9 65 424 A E H 3X S+ 0 0 53 -4,-3.6 4,-1.2 1,-0.2 -1,-0.3 0.810 111.9 48.0 -50.3 -27.8 -46.2 8.4 24.1 66 425 A Q H X S+ 0 0 53 -4,-1.2 4,-1.9 -5,-0.4 3,-1.8 0.963 113.2 36.4 -49.9 -81.5 -52.1 9.6 23.0 70 429 A N H 3X S+ 0 0 122 -4,-1.6 4,-2.7 1,-0.3 5,-0.3 0.869 115.9 56.7 -33.4 -60.1 -54.0 12.8 23.6 71 430 A E H 3X S+ 0 0 44 -4,-3.6 4,-0.6 -5,-0.3 -1,-0.3 0.858 110.2 44.8 -44.3 -43.8 -53.1 13.9 20.1 72 431 A R H XX S+ 0 0 128 -4,-3.2 4,-2.0 -3,-1.8 3,-0.8 0.893 109.5 52.9 -72.1 -40.7 -54.7 10.7 18.7 73 432 A Q H 3X S+ 0 0 130 -4,-1.9 4,-2.8 1,-0.3 5,-0.3 0.931 102.9 60.4 -58.1 -45.5 -57.9 10.9 20.8 74 433 A Q H 3X S+ 0 0 63 -4,-2.7 4,-0.6 -5,-0.2 -1,-0.3 0.790 106.4 47.9 -52.9 -30.0 -58.4 14.5 19.6 75 434 A L H XX S+ 0 0 33 -3,-0.8 4,-1.9 -4,-0.6 3,-0.8 0.961 111.4 48.3 -75.0 -54.1 -58.6 13.0 16.1 76 435 A V H 3X S+ 0 0 53 -4,-2.0 4,-2.9 1,-0.3 5,-0.3 0.897 105.1 57.0 -52.0 -51.7 -61.0 10.2 17.0 77 436 A E H 3X S+ 0 0 56 -4,-2.8 4,-2.4 1,-0.2 -1,-0.3 0.826 108.3 50.1 -54.0 -33.0 -63.5 12.4 18.9 78 437 A T H X S+ 0 0 59 -4,-3.5 3,-1.7 2,-0.2 4,-1.7 0.992 112.3 50.6 -54.2 -68.8 -79.2 11.2 6.8 91 450 A R H 3X S+ 0 0 21 -4,-1.5 4,-1.6 1,-0.3 -2,-0.2 0.822 107.5 52.9 -32.1 -58.3 -81.8 9.5 9.1 92 451 A R H 3X S+ 0 0 55 -4,-2.8 4,-1.3 1,-0.2 -1,-0.3 0.881 111.3 48.8 -50.4 -42.4 -83.8 12.7 9.5 93 452 A L H XX S+ 0 0 57 -4,-1.7 4,-2.4 -3,-1.7 3,-0.7 0.990 104.4 54.0 -63.6 -63.4 -83.9 12.9 5.7 94 453 A A H 3X S+ 0 0 16 -4,-1.7 4,-3.8 1,-0.3 5,-0.3 0.780 102.4 65.5 -44.0 -26.7 -85.0 9.4 4.9 95 454 A L H 3X S+ 0 0 38 -4,-1.6 4,-1.2 -5,-0.3 -1,-0.3 0.987 108.1 34.7 -61.2 -58.6 -87.9 10.2 7.4 96 455 A E H < S+ 0 0 96 -4,-3.1 3,-0.7 1,-0.2 -1,-0.2 0.527 89.0 175.5 -60.0 -2.5 -92.9 11.2 1.0 101 460 A A T 3 - 0 0 41 1,-0.2 -1,-0.2 -5,-0.2 -2,-0.1 0.062 49.4 -77.9 30.7-124.9 -94.1 7.6 0.9 102 461 A L T 3 + 0 0 14 -3,-0.2 2,-0.6 -4,-0.1 -1,-0.2 -0.211 61.0 173.6-159.8 50.0 -95.2 7.0 -2.6 103 462 A Q < + 0 0 91 -3,-0.7 2,-0.2 4,-0.2 -2,-0.0 -0.568 36.5 84.9 -75.0 114.3 -98.7 8.5 -2.8 104 463 A A S S- 0 0 74 -2,-0.6 4,-0.4 1,-0.2 -2,-0.0 -0.797 94.4 -30.2 166.5 158.0 -100.1 8.4 -6.4 105 464 A V S S+ 0 0 99 -2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.336 141.2 8.8 9.2-100.8 -102.0 5.9 -8.6 106 465 A P S S- 0 0 100 0, 0.0 2,-4.1 0, 0.0 -1,-0.2 -0.837 99.6-116.4 -97.5 107.8 -100.6 2.7 -7.1 107 466 A P - 0 0 42 0, 0.0 5,-0.4 0, 0.0 -4,-0.2 0.061 45.7-101.2 -36.4 59.4 -98.7 4.2 -4.1 108 467 A R >> - 0 0 39 -2,-4.1 3,-2.7 -4,-0.4 4,-2.6 0.730 47.3-172.0 13.7 67.3 -95.5 3.0 -5.5 109 468 A P H 3> S+ 0 0 61 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.845 86.4 55.2 -50.1 -30.0 -95.5 0.0 -3.1 110 469 A R H 3> S+ 0 0 216 2,-0.2 4,-0.8 3,-0.2 -2,-0.1 0.665 110.6 44.2 -76.5 -17.6 -92.0 -0.6 -4.4 111 470 A H H <> S+ 0 0 44 -3,-2.7 4,-4.7 2,-0.2 5,-0.3 0.865 108.1 54.9 -91.6 -48.7 -91.0 3.0 -3.4 112 471 A V H X S+ 0 0 18 -4,-2.6 4,-3.0 -5,-0.4 3,-0.3 0.975 119.8 34.9 -45.5 -67.9 -92.6 3.1 -0.0 113 472 A F H X S+ 0 0 55 -4,-1.6 4,-2.2 2,-0.3 5,-0.3 0.919 115.1 56.3 -52.8 -49.8 -90.6 -0.1 0.8 114 473 A N H < S+ 0 0 58 -4,-0.8 -1,-0.3 1,-0.2 4,-0.2 0.920 115.0 41.0 -48.5 -44.2 -87.7 1.1 -1.3 115 474 A X H >X S+ 0 0 52 -4,-4.7 4,-1.5 -3,-0.3 3,-1.1 0.867 110.2 59.2 -70.0 -41.5 -87.8 4.2 0.9 116 475 A L H >X S+ 0 0 21 -4,-3.0 4,-2.5 -5,-0.3 3,-0.5 0.958 98.8 54.3 -53.3 -61.6 -88.4 2.2 4.1 117 476 A K H 3X S+ 0 0 45 -4,-2.2 4,-1.3 1,-0.3 -1,-0.3 0.621 104.4 60.0 -51.6 -14.3 -85.3 0.1 4.1 118 477 A K H <> S+ 0 0 43 -3,-1.1 4,-1.9 -5,-0.3 -1,-0.3 0.948 109.0 40.2 -76.5 -55.3 -83.4 3.3 3.8 119 478 A Y H X S+ 0 0 25 -4,-1.9 4,-1.5 2,-0.2 3,-1.1 0.990 107.1 45.6 -66.0 -61.8 -80.1 3.8 8.3 123 482 A E H 3X S+ 0 0 0 -4,-3.6 4,-1.8 1,-0.3 -2,-0.2 0.663 110.2 57.5 -55.4 -20.7 -81.4 3.6 11.9 124 483 A Q H 3X S+ 0 0 50 -4,-1.9 4,-4.5 -5,-0.3 -1,-0.3 0.841 99.0 57.9 -77.9 -37.6 -79.5 0.3 12.1 125 484 A K H X S+ 0 0 65 -4,-2.1 4,-1.3 1,-0.2 3,-1.1 0.962 109.9 53.4 -43.0 -72.1 -69.0 -0.3 18.1 133 492 A H H 3X S+ 0 0 116 -4,-1.6 4,-1.0 1,-0.3 -1,-0.2 0.767 109.0 50.2 -29.7 -50.2 -68.0 3.0 19.6 134 493 A F H >X S+ 0 0 54 -4,-1.4 4,-2.2 -3,-0.2 3,-0.6 0.913 98.3 62.8 -62.8 -46.8 -68.9 1.6 23.0 135 494 A E H S+ 0 0 75 -4,-1.3 4,-0.5 1,-0.3 5,-0.5 0.936 106.0 45.7 -52.9 -51.3 -64.0 0.7 22.6 137 496 A V H X< - 0 0 43 -4,-0.6 4,-1.5 -5,-0.5 3,-1.0 -0.533 68.1-178.9-131.0 71.9 -60.9 2.4 29.6 142 501 A P H 3> S+ 0 0 93 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.754 87.2 50.9 -38.1 -38.0 -63.1 -0.1 31.4 143 502 A K H 3> S+ 0 0 70 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.938 104.2 57.1 -68.4 -46.1 -63.9 2.6 34.1 144 503 A K H <> S+ 0 0 42 -3,-1.0 4,-1.6 1,-0.3 -1,-0.2 0.888 108.0 48.5 -49.5 -45.3 -64.8 5.2 31.4 145 504 A A H X S+ 0 0 14 -4,-1.5 4,-0.5 -8,-0.8 -1,-0.3 0.850 101.9 62.8 -66.0 -38.5 -67.4 2.7 30.0 146 505 A A H >< S+ 0 0 74 -4,-1.4 3,-1.2 -3,-0.3 4,-0.5 0.954 106.0 45.3 -52.0 -55.1 -69.0 2.0 33.4 147 506 A Q H >< S+ 0 0 154 -4,-1.7 3,-0.9 1,-0.2 4,-0.4 0.971 115.4 48.2 -49.0 -64.7 -70.0 5.7 33.8 148 507 A I H 3X S+ 0 0 46 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.215 84.4 86.1 -65.0 6.2 -71.4 5.9 30.2 149 508 A R H S+ 0 0 67 -3,-0.9 4,-1.4 -4,-0.5 -1,-0.2 0.916 112.0 50.8 -59.6 -42.2 -76.6 4.4 31.5 151 510 A Q H >> S+ 0 0 135 -4,-0.4 4,-1.2 1,-0.2 3,-0.6 0.987 114.6 39.4 -57.8 -65.5 -76.2 7.2 29.0 152 511 A V H 3X S+ 0 0 35 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.620 106.0 65.9 -62.1 -19.2 -75.9 5.0 25.9 153 512 A X H 3X S+ 0 0 128 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.946 100.6 51.9 -66.7 -47.0 -78.6 2.6 27.0 154 513 A T H X S+ 0 0 60 -4,-1.2 4,-1.6 1,-0.2 3,-1.4 0.971 107.2 46.7 -49.4 -72.1 -79.9 6.1 23.1 156 515 A L H 3X S+ 0 0 31 -4,-1.7 4,-2.1 1,-0.3 -1,-0.2 0.845 110.9 54.8 -38.8 -44.7 -80.4 2.6 21.8 157 516 A R H 3X S+ 0 0 70 -4,-2.1 4,-3.0 1,-0.2 -1,-0.3 0.909 104.4 54.5 -59.8 -40.6 -83.8 2.6 23.5 158 517 A V H X S+ 0 0 29 -4,-3.5 4,-2.2 1,-0.3 3,-2.1 0.860 116.7 38.5 -32.4 -71.0 -88.1 2.9 14.6 164 523 A N H 3X S+ 0 0 64 -4,-1.8 4,-3.2 1,-0.3 -1,-0.3 0.903 112.5 58.3 -51.5 -44.2 -91.3 1.1 15.5 165 524 A Q H 3< S+ 0 0 62 -4,-2.4 -1,-0.3 -5,-0.4 -2,-0.2 0.724 108.8 48.6 -59.3 -19.8 -93.0 4.4 16.0 166 525 A S H X< S+ 0 0 15 -3,-2.1 3,-2.2 -4,-1.7 -2,-0.2 0.945 109.7 46.5 -82.4 -58.7 -92.1 5.0 12.4 167 526 A L H >< S+ 0 0 76 -4,-2.2 3,-2.1 1,-0.3 -2,-0.2 0.892 103.9 67.6 -48.6 -39.6 -93.4 1.7 11.0 168 527 A S T 3< S+ 0 0 75 -4,-3.2 3,-0.3 1,-0.3 -1,-0.3 0.283 77.2 82.6 -67.5 13.2 -96.5 2.4 13.1 169 528 A L T X S+ 0 0 109 -3,-2.2 3,-1.0 1,-0.2 -1,-0.3 0.516 73.1 74.3 -91.6 -9.3 -97.2 5.3 10.7 170 529 A L G X S+ 0 0 73 -3,-2.1 3,-0.6 1,-0.3 -1,-0.2 0.587 78.5 76.1 -75.0 -11.6 -98.8 2.7 8.4 171 530 A Y G 3 S+ 0 0 94 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.171 96.0 48.3 -82.5 14.0 -101.5 2.9 11.1 172 531 A N G < S+ 0 0 79 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.373 111.1 51.4-127.3 -14.4 -102.4 6.2 9.3 173 532 A V < + 0 0 40 -3,-0.6 -1,-0.2 -4,-0.2 4,-0.2 -0.858 61.7 176.6-132.6 94.9 -102.3 4.8 5.8 174 533 A P >> + 0 0 105 0, 0.0 3,-1.0 0, 0.0 4,-0.8 0.832 68.9 67.2 -66.4 -41.7 -104.5 1.6 5.4 175 534 A A H 3> S+ 0 0 72 1,-0.3 4,-1.6 2,-0.2 3,-0.2 0.956 109.3 35.2 -45.6 -71.3 -104.1 0.9 1.7 176 535 A V H 3>>S+ 0 0 20 3,-0.2 4,-2.8 1,-0.2 5,-0.7 0.511 101.6 90.0 -63.9 -4.6 -100.4 -0.0 1.8 177 536 A A H <>5S+ 0 0 34 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.972 109.9 7.5 -54.5 -84.8 -101.1 -1.6 5.2 178 537 A E H <5S+ 0 0 88 -4,-0.8 -1,-0.2 3,-0.3 -2,-0.2 0.835 129.5 69.4 -66.3 -30.8 -102.0 -5.1 4.2 179 538 A E H <5S+ 0 0 71 -4,-1.6 -3,-0.2 -5,-0.5 -2,-0.2 0.916 115.3 19.1 -51.7 -56.4 -100.9 -4.1 0.7 180 539 A I H <5 0 0 62 -4,-2.8 -1,-0.2 -3,-0.2 -2,-0.2 0.723 360.0 360.0 -89.8 -24.9 -97.2 -3.8 1.4 181 540 A Q << 0 0 113 -4,-2.2 -3,-0.3 -5,-0.7 -2,-0.2 0.831 360.0 360.0-100.7 360.0 -97.3 -5.9 4.5