==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-DEC-99 1DQ8 . COMPND 2 MOLECULE: PROTEIN (HMG-COA REDUCTASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.S.ISTVAN,M.PALNITKAR,S.K.BUCHANAN,J.DEISENHOFER . 1631 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54260.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1195 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 265 16.2 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 . 10 0.6 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 . 1 0.1 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 . 104 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 170 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 540 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 44 2.7 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 9 4 8 1 0 4 3 7 9 5 3 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 RESIDUES PER ALPHA HELIX . 10 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 PARALLEL BRIDGES PER LADDER . 0 0 12 0 0 0 12 4 5 1 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 8 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 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 1 439 A P 0 0 144 0, 0.0 2,-0.5 0, 0.0 17,-0.2 0.000 360.0 360.0 360.0 33.0 -8.5 -13.9 30.0 2 440 A R + 0 0 139 2,-0.1 17,-0.0 15,-0.1 15,-0.0 -0.757 360.0 93.8-104.7 132.5 -7.3 -15.8 26.9 3 441 A E S S- 0 0 166 -2,-0.5 15,-0.0 15,-0.0 18,-0.0 -0.357 95.1 -87.8 161.7 97.1 -8.9 -18.3 24.6 4 442 A P - 0 0 66 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.005 42.2-145.6 -29.6 114.1 -10.3 -15.9 21.9 5 443 A R - 0 0 100 1,-0.1 5,-0.0 2,-0.1 -3,-0.0 -0.446 35.3 -82.4 -81.5 156.8 -13.8 -14.5 22.5 6 444 A P > - 0 0 73 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.219 39.6-113.6 -58.9 150.8 -16.2 -13.8 19.6 7 445 A N H > S+ 0 0 42 1,-0.2 4,-0.6 2,-0.2 -2,-0.1 0.856 112.5 58.2 -54.2 -42.8 -15.8 -10.5 17.7 8 446 A E H >4 S+ 0 0 158 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.909 111.9 40.5 -56.7 -45.7 -19.1 -9.0 18.9 9 447 A E H 34 S+ 0 0 129 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.844 103.9 69.8 -72.1 -31.3 -18.1 -9.3 22.5 10 448 A C H 3< + 0 0 1 -4,-2.1 2,-0.9 11,-0.1 -1,-0.2 0.605 63.1 123.6 -62.2 -13.5 -14.6 -8.2 21.7 11 449 A L << - 0 0 107 -3,-0.9 -3,-0.0 -4,-0.6 -4,-0.0 -0.380 53.5-159.2 -58.3 96.7 -15.9 -4.7 21.0 12 450 A Q 0 0 56 -2,-0.9 -1,-0.1 1,-0.1 5,-0.1 0.949 360.0 360.0 -41.0 -98.8 -13.6 -3.0 23.5 13 451 A I 0 0 185 3,-0.1 -1,-0.1 0, 0.0 -2,-0.1 0.939 360.0 360.0 -66.2 360.0 -14.6 0.5 24.8 14 ! 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 15 460 A K 0 0 214 0, 0.0 2,-0.3 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 -59.2 -5.6 -3.5 29.2 16 461 A F - 0 0 93 2,-0.0 25,-0.1 0, 0.0 -4,-0.1 -0.492 360.0 -32.3 -65.4 117.2 -8.5 -3.9 26.8 17 462 A L S S- 0 0 29 -2,-0.3 2,-0.2 -5,-0.1 -15,-0.1 0.302 79.1 -75.0 62.4 174.1 -8.5 -7.5 25.4 18 463 A S > - 0 0 16 -17,-0.2 4,-1.9 1,-0.1 3,-0.3 -0.664 40.6-108.1-101.5 164.2 -5.7 -9.9 24.7 19 464 A D H > S+ 0 0 35 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.935 118.8 55.8 -55.9 -48.3 -3.3 -9.8 21.7 20 465 A A H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.850 108.9 47.7 -53.5 -38.4 -5.0 -12.8 20.1 21 466 A E H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.868 110.8 48.7 -73.6 -39.3 -8.4 -11.1 20.2 22 467 A I H X S+ 0 0 5 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.918 112.7 50.1 -65.6 -41.8 -7.1 -7.7 18.8 23 468 A I H X S+ 0 0 8 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.932 110.5 50.0 -60.8 -44.4 -5.4 -9.7 16.0 24 469 A Q H X S+ 0 0 60 -4,-2.1 4,-3.0 -5,-0.2 -2,-0.2 0.907 111.3 48.1 -61.6 -44.7 -8.7 -11.6 15.4 25 470 A L H X S+ 0 0 13 -4,-2.5 4,-2.3 2,-0.2 6,-0.2 0.896 111.7 50.5 -61.8 -44.0 -10.7 -8.3 15.2 26 471 A V H <>S+ 0 0 11 -4,-2.6 5,-0.8 1,-0.2 -2,-0.2 0.908 116.4 40.6 -61.2 -45.2 -8.1 -6.9 12.8 27 472 A N H <5S+ 0 0 92 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.920 117.0 48.2 -70.7 -45.7 -8.3 -9.9 10.5 28 473 A A H <5S+ 0 0 50 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.976 123.3 28.0 -58.1 -66.0 -12.1 -10.4 10.8 29 474 A K T <5S- 0 0 95 -4,-2.3 2,-0.4 -5,-0.2 -22,-0.0 -0.233 103.5-103.9 -81.8-176.9 -13.0 -6.8 10.1 30 475 A H T 5 + 0 0 167 -2,-0.1 -3,-0.1 2,-0.0 -4,-0.1 -0.505 55.0 153.2-119.2 70.1 -10.5 -4.9 8.0 31 476 A I < - 0 0 47 -5,-0.8 5,-0.1 -2,-0.4 -2,-0.1 -0.838 44.4-132.9 -89.3 100.8 -8.6 -2.6 10.3 32 477 A P > - 0 0 60 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.302 21.2-110.5 -58.2 145.3 -5.3 -2.3 8.4 33 478 A A G > S+ 0 0 19 1,-0.3 3,-1.4 2,-0.1 17,-0.1 0.740 109.5 72.0 -47.4 -30.2 -2.3 -2.8 10.7 34 479 A Y G 3 S+ 0 0 113 1,-0.2 50,-0.3 2,-0.1 3,-0.3 0.630 89.6 59.3 -68.0 -11.6 -1.2 0.9 10.5 35 480 A K G X> S+ 0 0 113 -3,-2.0 3,-2.0 1,-0.2 4,-0.7 0.447 72.2 106.9 -96.6 1.2 -4.1 2.1 12.7 36 481 A L H <> + 0 0 0 -3,-1.4 4,-2.3 1,-0.3 3,-0.4 0.822 68.3 61.5 -47.6 -47.3 -3.2 0.1 15.7 37 482 A E H 34 S+ 0 0 33 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.697 96.8 64.6 -57.6 -18.8 -1.9 2.9 17.9 38 483 A T H <4 S+ 0 0 110 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.973 113.2 28.7 -66.2 -55.0 -5.4 4.4 17.7 39 484 A L H < S+ 0 0 63 -4,-0.7 -2,-0.2 -3,-0.4 -3,-0.1 0.935 104.5 86.5 -71.9 -52.5 -7.1 1.5 19.6 40 485 A I S < S- 0 0 11 -4,-2.3 6,-0.1 1,-0.1 4,-0.0 -0.267 72.4-136.7 -61.9 134.4 -4.2 0.3 21.8 41 486 A E S S+ 0 0 75 -25,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.773 89.5 36.0 -58.1 -33.6 -3.6 1.9 25.2 42 487 A T S > S- 0 0 76 1,-0.1 4,-1.3 0, 0.0 5,-0.1 -0.935 72.3-134.6-126.1 150.8 0.2 2.0 24.6 43 488 A H H > S+ 0 0 72 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.905 106.0 57.8 -65.3 -40.7 2.3 2.6 21.5 44 489 A E H > S+ 0 0 75 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.818 104.6 49.0 -60.1 -37.7 4.6 -0.3 22.4 45 490 A R H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.837 108.4 54.2 -72.4 -33.4 1.7 -2.8 22.4 46 491 A G H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.916 111.1 46.7 -64.1 -39.0 0.5 -1.5 19.0 47 492 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.930 110.3 52.4 -66.2 -47.1 4.0 -2.2 17.7 48 493 A S H X S+ 0 0 18 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.875 110.8 48.4 -57.3 -38.8 4.1 -5.6 19.3 49 494 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.940 109.1 50.4 -70.8 -43.4 0.8 -6.5 17.6 50 495 A R H X S+ 0 0 4 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.918 110.2 52.9 -59.5 -40.7 1.9 -5.3 14.2 51 496 A R H X S+ 0 0 26 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.886 110.1 47.1 -61.3 -41.2 5.0 -7.4 14.6 52 497 A Q H X S+ 0 0 62 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.912 112.9 48.4 -68.9 -40.0 2.8 -10.4 15.4 53 498 A L H < S+ 0 0 9 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.904 112.7 50.4 -63.9 -39.9 0.6 -9.7 12.4 54 499 A L H >< S+ 0 0 6 -4,-3.0 3,-2.3 -5,-0.2 4,-0.4 0.913 99.5 62.4 -65.0 -48.1 3.7 -9.4 10.2 55 500 A S H >< S+ 0 0 30 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.872 97.2 59.4 -44.8 -46.4 5.4 -12.6 11.3 56 501 A K T 3< S+ 0 0 149 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.722 104.7 50.6 -60.1 -20.5 2.5 -14.6 9.9 57 502 A K T < S+ 0 0 127 -3,-2.3 2,-0.3 -4,-0.4 -1,-0.3 0.407 93.6 92.5 -97.7 -0.5 3.1 -13.1 6.4 58 503 A L S < S- 0 0 13 -3,-1.9 721,-0.1 -4,-0.4 722,-0.1 -0.691 72.5-137.7 -96.9 149.0 6.9 -13.9 6.4 59 504 A S S S+ 0 0 113 720,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.722 109.4 40.7 -73.5 -23.4 8.4 -17.0 4.9 60 505 A E S > S- 0 0 94 718,-0.2 3,-2.4 719,-0.1 -1,-0.3 -0.790 80.1-169.7-124.8 84.3 10.7 -17.2 7.9 61 506 A P G > S+ 0 0 76 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.692 81.4 56.9 -45.6 -31.6 8.3 -16.2 10.7 62 507 A S G > S+ 0 0 70 1,-0.2 3,-1.7 2,-0.1 4,-0.2 0.297 72.4 105.7 -89.9 12.1 11.0 -15.8 13.3 63 508 A S G X S+ 0 0 1 -3,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.829 73.8 59.7 -63.5 -26.1 13.0 -13.2 11.2 64 509 A L G X S+ 0 0 5 -3,-0.5 3,-2.2 1,-0.2 -1,-0.3 0.611 75.2 101.0 -76.5 -10.4 11.9 -10.4 13.5 65 510 A Q G < S+ 0 0 128 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.813 88.9 35.8 -41.9 -46.3 13.5 -12.1 16.6 66 511 A Y G < S+ 0 0 114 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.1 0.360 89.9 101.7 -95.5 4.0 16.6 -9.8 16.5 67 512 A L S < S- 0 0 2 -3,-2.2 22,-0.1 -4,-0.1 706,-0.0 -0.813 72.7-137.2 -89.4 106.7 14.9 -6.6 15.4 68 513 A P + 0 0 37 0, 0.0 20,-2.1 0, 0.0 -2,-0.1 -0.202 41.3 151.3 -62.6 155.8 14.6 -4.7 18.7 69 514 A Y + 0 0 34 18,-0.3 3,-0.3 1,-0.0 18,-0.1 0.371 38.0 102.9-155.9 -26.1 11.4 -2.8 19.6 70 515 A R S S+ 0 0 153 1,-0.2 18,-0.0 18,-0.1 -1,-0.0 -0.310 77.4 19.1 -74.0 151.4 11.1 -2.6 23.4 71 516 A D S S+ 0 0 148 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.947 88.0 128.4 58.3 56.1 11.9 0.4 25.7 72 517 A Y - 0 0 30 -3,-0.3 2,-1.4 16,-0.0 -1,-0.2 -0.998 66.1-114.2-141.5 136.1 11.7 3.1 23.1 73 518 A N + 0 0 73 -2,-0.4 4,-0.4 1,-0.2 3,-0.4 -0.523 39.6 166.9 -74.3 94.6 9.8 6.3 23.1 74 519 A Y > + 0 0 6 -2,-1.4 4,-3.2 1,-0.2 3,-0.2 0.649 63.7 77.0 -81.0 -15.9 7.3 5.8 20.2 75 520 A S T 4 S+ 0 0 57 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.861 96.7 47.7 -62.6 -34.9 5.2 8.8 21.2 76 521 A L T 4 S+ 0 0 58 -3,-0.4 -1,-0.2 1,-0.1 -2,-0.2 0.747 115.6 46.7 -74.9 -25.8 7.8 11.1 19.7 77 522 A V T >>>S+ 0 0 0 -4,-0.4 4,-3.0 -3,-0.2 3,-1.9 0.925 90.8 89.7 -82.1 -50.6 7.8 8.9 16.5 78 523 A M T 3<5S+ 0 0 39 -4,-3.2 5,-0.1 1,-0.3 441,-0.0 -0.234 101.1 6.1 -56.3 128.4 4.1 8.4 15.9 79 524 A G T 345S+ 0 0 75 3,-0.5 -1,-0.3 1,-0.1 4,-0.1 0.515 135.0 45.3 78.6 7.3 2.6 11.1 13.7 80 525 A A T <45S+ 0 0 54 -3,-1.9 439,-1.2 2,-0.3 -2,-0.2 0.542 117.3 20.9-147.7 -30.2 5.8 12.8 12.9 81 526 A C T <5S+ 0 0 1 -4,-3.0 2,-0.3 1,-0.3 -3,-0.2 0.668 115.4 1.8-124.0 -22.5 8.6 10.4 12.0 82 527 A C < - 0 0 0 -5,-1.0 -3,-0.5 435,-0.1 -1,-0.3 -0.962 51.8-148.8-168.0 147.4 7.5 7.0 10.8 83 528 A E S S+ 0 0 35 -2,-0.3 416,-0.3 1,-0.2 3,-0.2 -0.820 77.7 24.6-118.4 161.7 4.3 4.9 10.2 84 529 A N S S- 0 0 14 -50,-0.3 415,-1.3 -2,-0.3 -1,-0.2 0.894 84.9-161.7 52.2 47.6 3.5 1.2 10.5 85 530 A V E +A 498 0A 0 413,-0.2 413,-0.3 -3,-0.2 -1,-0.2 -0.390 29.9 169.4 -69.3 129.6 6.3 0.9 13.1 86 531 A I E - 0 0 0 411,-2.7 2,-0.3 1,-0.2 412,-0.2 0.242 62.8 -66.6-119.6 8.0 7.7 -2.6 13.8 87 532 A G E -A 497 0A 0 410,-0.8 410,-2.3 -18,-0.1 2,-0.3 -0.994 60.0 -68.3 145.7-151.2 10.7 -1.5 15.9 88 533 A Y E -A 496 0A 25 -20,-2.1 -18,-0.1 -2,-0.3 427,-0.1 -0.994 23.9-131.8-148.3 152.0 14.0 0.3 15.5 89 534 A M E -A 495 0A 0 406,-3.0 406,-1.4 -2,-0.3 2,-0.4 -0.903 21.7-142.9-108.7 112.1 17.4 -0.2 13.8 90 535 A P E -A 494 0A 2 0, 0.0 683,-0.2 0, 0.0 402,-0.0 -0.618 14.9-167.5 -76.3 124.7 20.5 0.4 16.0 91 536 A I E -A 493 0A 10 402,-1.7 402,-3.0 -2,-0.4 22,-0.1 -0.971 28.0-113.8-113.4 121.1 23.3 2.1 14.1 92 537 A P E -A 492 0A 0 0, 0.0 20,-2.2 0, 0.0 2,-0.5 -0.243 28.8-150.6 -53.7 137.0 26.7 2.2 15.9 93 538 A V E +AB 491 111A 0 398,-2.3 397,-3.0 18,-0.3 398,-0.9 -0.970 17.6 177.0-117.6 122.0 27.8 5.7 16.9 94 539 A G E -AB 489 110A 0 16,-3.1 16,-3.1 -2,-0.5 2,-0.4 -0.704 20.5-128.3-114.9 170.4 31.5 6.5 17.1 95 540 A V E - B 0 109A 8 393,-1.4 2,-0.5 392,-0.3 27,-0.1 -0.963 12.5-166.0-128.6 136.6 33.2 9.8 17.9 96 541 A A E - B 0 108A 0 12,-2.4 12,-2.6 -2,-0.4 3,-0.2 -0.984 37.2 -94.1-119.6 125.9 36.0 11.7 16.1 97 542 A G E - 0 0 17 -2,-0.5 10,-0.2 1,-0.3 2,-0.1 -0.956 46.8 -36.3 173.6 175.8 37.7 14.6 17.9 98 543 A P E - 0 0 47 0, 0.0 2,-0.7 0, 0.0 -1,-0.3 0.401 56.2-168.1 -79.7 143.5 38.6 16.9 19.0 99 544 A L E - B 0 106A 0 7,-2.6 7,-2.4 -3,-0.2 2,-1.1 -0.904 13.8-147.2 -94.0 115.1 37.9 18.9 15.8 100 545 A C E + B 0 105A 25 -2,-0.7 34,-3.3 25,-0.3 2,-0.5 -0.749 32.7 162.8 -89.3 99.0 39.6 22.2 16.2 101 546 A L E > -cB 134 104A 0 3,-1.3 3,-1.6 -2,-1.1 34,-0.2 -0.962 61.6 -21.1-127.4 122.4 37.3 24.6 14.3 102 547 A D T 3 S- 0 0 24 32,-3.1 -1,-0.2 -2,-0.5 33,-0.1 0.917 125.6 -51.0 49.5 46.3 37.2 28.4 14.5 103 548 A E T 3 S+ 0 0 205 31,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.537 121.7 98.8 71.6 10.4 38.9 28.4 17.9 104 549 A K E < -B 101 0A 89 -3,-1.6 -3,-1.3 -5,-0.0 2,-0.4 -0.661 66.7-128.8-119.0 173.2 36.5 25.8 19.4 105 550 A E E -B 100 0A 133 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.974 21.4-169.7-131.5 120.3 36.7 22.1 19.9 106 551 A F E -B 99 0A 18 -7,-2.4 -7,-2.6 -2,-0.4 2,-0.7 -0.825 20.1-151.2-112.8 145.8 34.1 19.6 18.8 107 552 A Q E - 0 0 14 268,-0.4 -10,-0.2 -2,-0.3 -2,-0.0 -0.962 29.5-150.6-109.6 104.1 33.6 15.9 19.5 108 553 A V E -B 96 0A 0 -12,-2.6 -12,-2.4 -2,-0.7 2,-0.3 -0.738 1.6-147.1 -88.9 115.4 31.8 14.8 16.3 109 554 A P E -B 95 0A 0 0, 0.0 2,-0.4 0, 0.0 -14,-0.2 -0.568 16.0-171.0 -78.9 137.3 29.4 11.8 16.6 110 555 A M E -B 94 0A 0 -16,-3.1 -16,-3.1 -2,-0.3 2,-0.7 -0.980 12.6-154.6-136.2 120.1 29.2 9.6 13.6 111 556 A A E +B 93 0A 2 203,-2.3 2,-0.3 -2,-0.4 -18,-0.3 -0.853 40.3 133.0 -95.9 115.7 26.7 6.8 13.1 112 557 A T - 0 0 17 -20,-2.2 373,-0.1 -2,-0.7 -2,-0.1 -0.962 53.9-153.6-157.5 166.7 28.0 4.2 10.7 113 558 A T + 0 0 20 -2,-0.3 2,-0.8 -22,-0.1 373,-0.1 0.183 69.8 107.1-123.6 5.2 28.6 0.5 10.0 114 559 A E S > S- 0 0 63 652,-0.1 3,-1.4 196,-0.1 4,-0.4 -0.794 71.0-129.4 -91.3 112.1 31.6 1.1 7.8 115 560 A G T 3 S+ 0 0 27 -2,-0.8 370,-0.1 369,-0.8 371,-0.1 -0.249 85.7 16.7 -61.6 142.6 34.8 0.1 9.5 116 561 A C T 3> S+ 0 0 88 1,-0.0 4,-3.1 4,-0.0 5,-0.2 0.151 92.3 105.7 82.0 -15.1 37.7 2.6 9.7 117 562 A L H <> S+ 0 0 8 -3,-1.4 4,-2.5 2,-0.2 5,-0.2 0.944 86.3 39.5 -60.3 -47.6 35.5 5.6 8.8 118 563 A V H > S+ 0 0 0 -4,-0.4 4,-3.0 2,-0.2 5,-0.2 0.946 116.5 50.9 -67.0 -44.7 35.6 6.9 12.4 119 564 A A H > S+ 0 0 45 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.919 113.3 46.3 -58.0 -44.2 39.2 6.0 12.8 120 565 A S H X S+ 0 0 24 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.901 113.4 46.7 -67.5 -43.8 40.1 7.8 9.6 121 566 A T H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.901 112.4 51.9 -66.0 -36.6 38.1 10.9 10.4 122 567 A N H X S+ 0 0 27 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.875 108.5 51.9 -66.4 -34.6 39.6 11.0 13.9 123 568 A R H X S+ 0 0 54 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.900 108.9 49.0 -69.3 -41.0 43.1 10.8 12.3 124 569 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.902 108.3 54.4 -64.6 -41.5 42.3 13.7 10.0 125 570 A C H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -25,-0.3 0.924 105.7 54.1 -56.5 -41.4 41.1 15.7 13.1 126 571 A R H X S+ 0 0 157 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.884 108.6 47.3 -60.1 -43.3 44.4 14.9 14.8 127 572 A A H < S+ 0 0 0 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.887 112.8 49.2 -66.8 -39.4 46.4 16.4 11.8 128 573 A I H ><>S+ 0 0 1 -4,-2.2 5,-2.2 2,-0.2 3,-0.6 0.909 110.9 51.0 -65.6 -42.8 44.2 19.5 11.8 129 574 A G H ><5S+ 0 0 29 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.919 110.1 46.7 -61.6 -46.4 44.6 19.9 15.5 130 575 A L T 3<5S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.536 106.2 63.6 -72.9 -9.2 48.4 19.7 15.5 131 576 A G T < 5S- 0 0 21 -3,-0.6 135,-0.3 -4,-0.5 -1,-0.3 0.296 126.8 -94.0 -96.7 7.2 48.4 22.1 12.6 132 577 A G T < 5S- 0 0 74 -3,-1.5 -3,-0.2 133,-0.1 -2,-0.1 0.673 71.0 -78.8 91.7 14.1 46.8 24.9 14.6 133 578 A G < - 0 0 20 -5,-2.2 133,-0.4 -6,-0.1 2,-0.3 0.147 47.2 -83.3 83.8 166.4 43.2 24.3 13.8 134 579 A A B -c 101 0A 3 -34,-3.3 -32,-3.1 131,-0.1 -31,-0.4 -0.738 28.0-149.7-111.8 156.9 40.8 24.9 10.9 135 580 A S E -F 264 0B 47 129,-1.9 129,-1.9 -2,-0.3 2,-0.3 -0.963 15.0-176.2-127.4 145.1 38.7 28.0 10.0 136 581 A S E -F 263 0B 1 -2,-0.3 2,-0.3 127,-0.2 127,-0.2 -0.898 10.3-163.8-138.9 161.8 35.3 28.1 8.3 137 582 A R E -F 262 0B 100 125,-2.0 125,-2.3 -2,-0.3 2,-0.6 -0.980 21.6-131.4-146.4 143.5 32.8 30.6 6.9 138 583 A V E -F 261 0B 44 -2,-0.3 123,-0.3 123,-0.2 3,-0.1 -0.900 22.4-174.4 -97.3 119.2 29.1 30.3 5.9 139 584 A L E - 0 0 25 121,-2.8 2,-0.3 -2,-0.6 122,-0.2 0.752 63.5 -4.3 -87.9 -28.3 28.8 31.9 2.5 140 585 A A E -F 260 0B 38 120,-1.2 120,-2.2 117,-0.1 2,-0.3 -0.981 54.8-159.0-162.2 158.9 25.0 31.7 2.0 141 586 A D E +F 259 0B 4 -2,-0.3 118,-0.2 118,-0.2 2,-0.2 -0.843 34.9 118.7-152.1 111.1 22.0 30.3 3.8 142 587 A G E -F 258 0B 0 116,-2.6 116,-2.5 -2,-0.3 63,-0.2 -0.739 42.1-141.7-177.3 119.3 18.6 29.5 2.1 143 588 A M E -J 204 0C 2 61,-2.2 61,-2.4 114,-0.2 2,-0.3 -0.459 29.3-151.8 -77.2 157.1 16.4 26.5 1.6 144 589 A T E -J 203 0C 0 59,-0.2 2,-0.3 -2,-0.1 59,-0.2 -0.909 22.7-169.0-134.6 161.4 14.6 26.2 -1.7 145 590 A R E -J 202 0C 21 57,-1.4 57,-2.8 -2,-0.3 94,-0.1 -0.962 11.0-161.5-145.7 126.7 11.5 24.9 -3.4 146 591 A G - 0 0 0 -2,-0.3 94,-2.5 55,-0.2 96,-1.4 -0.690 12.7-173.0-116.8 79.4 11.2 24.9 -7.2 147 592 A P - 0 0 0 0, 0.0 53,-2.0 0, 0.0 2,-0.5 -0.277 20.1-131.9 -66.4 152.1 7.5 24.5 -8.3 148 593 A V E -KL 199 237C 0 89,-2.1 89,-1.7 51,-0.2 88,-0.9 -0.935 28.4-178.1-106.4 131.1 6.6 24.0 -11.9 149 594 A V E -KL 198 235C 0 49,-2.7 49,-2.7 -2,-0.5 2,-0.4 -0.862 10.3-147.4-124.7 157.5 3.8 26.2 -13.1 150 595 A R E -KL 197 234C 14 84,-2.6 84,-3.9 -2,-0.3 47,-0.2 -0.992 10.6-171.5-139.2 136.9 2.1 26.4 -16.5 151 596 A L - 0 0 5 45,-2.4 82,-0.1 -2,-0.4 6,-0.1 -0.774 41.2-105.4-114.4 164.0 0.5 29.1 -18.7 152 597 A P S S+ 0 0 38 0, 0.0 2,-0.3 0, 0.0 44,-0.1 0.833 101.3 12.9 -58.6 -33.9 -1.5 28.8 -21.9 153 598 A R S > S- 0 0 101 43,-0.1 4,-2.1 42,-0.1 3,-0.5 -0.953 72.9-115.8-142.2 160.8 1.5 30.1 -24.0 154 599 A A H > S+ 0 0 1 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.830 116.4 60.2 -66.0 -31.4 5.2 30.8 -23.7 155 600 A C H > S+ 0 0 19 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.860 107.3 47.2 -64.2 -30.5 4.4 34.5 -24.3 156 601 A D H > S+ 0 0 40 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.942 111.9 47.3 -75.6 -47.5 2.3 34.3 -21.1 157 602 A S H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.895 111.3 52.5 -61.2 -37.6 4.9 32.5 -19.0 158 603 A A H X S+ 0 0 11 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.911 107.5 52.9 -63.2 -41.1 7.5 35.1 -20.2 159 604 A E H X S+ 0 0 112 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.921 109.1 48.4 -59.7 -43.5 5.0 37.8 -19.1 160 605 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.873 111.0 51.3 -63.9 -39.1 4.8 36.2 -15.6 161 606 A K H X S+ 0 0 22 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.918 110.0 48.3 -64.4 -45.8 8.6 35.9 -15.4 162 607 A A H >< S+ 0 0 54 -4,-2.6 3,-0.6 2,-0.2 4,-0.4 0.951 113.1 49.0 -59.4 -45.5 9.0 39.6 -16.3 163 608 A W H >< S+ 0 0 48 -4,-2.4 3,-1.8 1,-0.3 6,-0.5 0.923 108.6 51.9 -59.7 -48.0 6.4 40.5 -13.7 164 609 A L H 3< S+ 0 0 4 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.741 106.3 57.0 -62.1 -23.3 8.2 38.4 -11.0 165 610 A E T << S+ 0 0 107 -4,-1.2 -1,-0.3 -3,-0.6 2,-0.3 0.493 87.5 95.1 -87.1 -5.1 11.4 40.2 -11.8 166 611 A T S <> S- 0 0 58 -3,-1.8 4,-2.9 -4,-0.4 5,-0.2 -0.640 81.5-127.7 -85.8 146.6 9.9 43.7 -11.1 167 612 A S H > S+ 0 0 108 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.877 112.6 56.3 -58.8 -33.0 10.4 45.2 -7.6 168 613 A E H > S+ 0 0 137 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.973 111.4 38.2 -61.0 -60.3 6.7 45.6 -7.7 169 614 A G H > S+ 0 0 0 -6,-0.5 4,-2.0 1,-0.2 -2,-0.2 0.845 114.1 55.3 -63.2 -37.0 5.8 42.0 -8.3 170 615 A F H X S+ 0 0 31 -4,-2.9 4,-3.2 -7,-0.3 5,-0.2 0.957 105.6 52.6 -62.2 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31.9 6.4 181 626 A S X - 0 0 37 -3,-1.2 3,-0.9 3,-0.2 -1,-0.2 -0.951 63.1-102.2-174.9 158.0 5.6 32.2 9.5 182 627 A R T 3 S+ 0 0 225 -2,-0.3 25,-0.1 1,-0.2 -1,-0.1 0.712 120.0 48.2 -60.5 -23.0 8.0 34.5 11.4 183 628 A F T 3 S+ 0 0 88 23,-0.1 2,-0.7 21,-0.0 24,-0.4 0.620 84.2 100.0 -94.9 -14.9 11.0 32.6 10.0 184 629 A A < + 0 0 2 -3,-0.9 2,-0.4 -6,-0.3 -3,-0.2 -0.629 42.3 163.3 -76.9 110.2 10.0 32.7 6.3 185 630 A R E -M 205 0C 143 20,-0.8 20,-1.0 -2,-0.7 2,-0.3 -0.825 33.3-139.1-134.3 92.1 11.9 35.5 4.7 186 631 A L E -M 204 0C 2 -2,-0.4 18,-0.2 -12,-0.3 3,-0.1 -0.347 22.4-179.6 -54.6 110.1 11.9 35.2 0.9 187 632 A Q E - 0 0 62 16,-2.7 2,-0.3 -2,-0.3 -1,-0.2 0.908 55.5 -31.3 -79.6 -50.2 15.5 36.2 -0.2 188 633 A K E -M 203 0C 128 15,-1.1 15,-1.5 13,-0.0 2,-0.4 -0.972 47.6-120.2-162.1 177.7 15.2 35.9 -3.9 189 634 A L E -M 202 0C 32 -2,-0.3 2,-0.5 13,-0.2 13,-0.2 -0.991 12.6-170.0-132.5 130.4 13.7 34.2 -7.0 190 635 A H E -M 201 0C 38 11,-1.5 11,-2.8 -2,-0.4 2,-0.4 -0.993 17.5-167.8-121.3 121.7 15.4 32.4 -9.8 191 636 A T E -M 200 0C 12 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.865 11.1-173.4-114.1 147.7 13.1 31.6 -12.7 192 637 A S E -M 199 0C 13 7,-2.3 7,-3.5 -2,-0.4 2,-0.3 -0.999 12.0-148.7-138.3 135.5 13.6 29.4 -15.7 193 638 A I E +M 198 0C 5 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.788 15.9 178.6-105.4 142.9 11.3 29.1 -18.7 194 639 A A E > -M 197 0C 0 3,-2.1 3,-2.3 -2,-0.3 2,-0.2 -0.748 68.2 -69.5-140.8 87.1 10.6 26.0 -20.9 195 640 A G T 3 S- 0 0 0 1,-0.3 -1,-0.3 -2,-0.2 -42,-0.1 -0.426 118.8 -9.4 64.2-123.1 8.1 27.1 -23.5 196 641 A R T 3 S+ 0 0 34 -2,-0.2 -45,-2.4 -3,-0.1 -1,-0.3 0.469 120.8 92.8 -84.6 -4.0 4.8 27.6 -21.6 197 642 A N E < -KM 150 194C 3 -3,-2.3 -3,-2.1 -47,-0.2 2,-0.4 -0.640 58.4-162.4 -87.4 151.0 6.2 26.1 -18.4 198 643 A L E -KM 149 193C 0 -49,-2.7 -49,-2.7 -2,-0.3 2,-0.5 -0.997 4.8-157.0-138.4 123.9 7.8 28.3 -15.7 199 644 A Y E -KM 148 192C 0 -7,-3.5 -7,-2.3 -2,-0.4 2,-0.5 -0.914 11.3-166.4-102.8 126.1 10.0 27.0 -13.0 200 645 A I E - M 0 191C 0 -53,-2.0 2,-0.8 -2,-0.5 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18.4 176.2 -85.0 137.1 47.1 23.9 2.5 348 793 A I E +GI 265 336B 0 -83,-2.6 -83,-2.0 -2,-0.4 2,-0.3 -0.995 9.7 176.4-142.0 146.0 43.7 22.2 2.2 349 794 A S E -GI 264 335B 1 -14,-2.1 -14,-2.1 -2,-0.3 2,-0.4 -0.982 12.9-159.6-146.4 150.7 40.2 23.5 1.7 350 795 A C E -GI 263 334B 0 -87,-1.5 -87,-2.2 -2,-0.3 2,-0.5 -0.997 7.2-164.1-133.1 130.8 36.8 22.0 1.2 351 796 A T E -GI 262 333B 5 -18,-2.0 -18,-1.8 -2,-0.4 -89,-0.2 -0.981 5.7-176.3-122.7 117.3 33.9 24.0 -0.2 352 797 A M E > -G 261 0B 0 -91,-3.0 -91,-2.2 -2,-0.5 3,-0.6 -0.877 3.7-175.5-119.6 99.8 30.4 22.6 0.2 353 798 A P E 3 S+ 0 0 12 0, 0.0 -96,-1.4 0, 0.0 -1,-0.1 0.552 74.4 36.8 -72.1 -9.9 27.7 24.7 -1.6 354 799 A S E 3 + 0 0 0 -23,-0.4 2,-0.7 -25,-0.3 -94,-0.2 -0.193 58.1 160.3-146.5 55.6 24.7 22.9 -0.5 355 800 A I E < -G 259 0B 0 -96,-2.8 -96,-3.2 -3,-0.6 2,-0.8 -0.668 25.8-157.3 -77.4 113.4 24.6 21.4 3.0 356 801 A E + 0 0 0 -2,-0.7 2,-0.3 -31,-0.3 -34,-0.2 -0.862 35.8 140.4 -96.1 112.3 20.9 20.9 3.8 357 802 A I + 0 0 1 -2,-0.8 2,-0.3 -147,-0.2 33,-0.1 -0.957 27.2 175.7-153.6 161.8 20.6 20.8 7.5 358 803 A G - 0 0 3 -2,-0.3 -149,-0.2 -148,-0.1 -150,-0.1 -0.975 24.9-148.3-163.9 162.8 18.6 21.8 10.6 359 804 A T S S+ 0 0 1 -151,-3.0 21,-1.5 -2,-0.3 2,-0.3 0.231 83.0 54.9-123.0 7.9 18.6 21.4 14.4 360 805 A V B S+n 209 0D 53 -152,-0.7 -150,-0.6 20,-0.1 3,-0.1 -0.993 90.6 26.1-141.1 143.8 14.8 21.6 15.0 361 806 A G S > S+ 0 0 30 -2,-0.3 3,-1.7 1,-0.2 4,-0.1 -0.027 94.5 29.8 89.3 160.4 12.0 19.5 13.6 362 807 A G G > S- 0 0 41 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 -0.182 128.0 -4.0 56.9-136.3 11.9 15.9 12.1 363 808 A G G > S+ 0 0 3 -43,-0.4 3,-1.3 1,-0.3 -1,-0.3 0.655 122.2 75.2 -64.9 -16.1 14.4 13.4 13.5 364 809 A T G < S+ 0 0 3 -3,-1.7 -1,-0.3 -44,-0.5 -2,-0.2 0.510 84.5 68.0 -75.4 0.3 16.0 16.1 15.7 365 810 A N G < S+ 0 0 75 -3,-1.8 -1,-0.2 -45,-0.1 2,-0.2 0.591 80.8 93.2 -90.7 -13.2 12.9 15.8 17.9 366 811 A L S <> S- 0 0 2 -3,-1.3 4,-1.8 -4,-0.2 5,-0.1 -0.586 81.0-125.9 -81.8 144.9 13.9 12.3 19.0 367 812 A L H > S+ 0 0 56 -2,-0.2 4,-2.0 2,-0.2 103,-0.2 0.878 102.8 50.7 -59.4 -50.5 16.0 12.0 22.2 368 813 A P H > S+ 0 0 11 0, 0.0 4,-1.3 0, 0.0 3,-0.3 0.957 113.2 47.3 -58.4 -44.8 19.0 10.0 21.0 369 814 A Q H > S+ 0 0 0 1,-0.2 4,-2.1 -6,-0.2 -2,-0.2 0.872 108.2 55.6 -64.0 -34.5 19.5 12.3 18.1 370 815 A Q H X S+ 0 0 36 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.881 102.1 58.0 -64.2 -33.7 19.2 15.3 20.4 371 816 A A H X S+ 0 0 2 -4,-2.0 4,-1.6 -3,-0.3 -1,-0.2 0.865 107.6 46.3 -63.4 -37.5 22.0 13.8 22.5 372 817 A C H X S+ 0 0 0 -4,-1.3 4,-0.7 -54,-0.3 -1,-0.2 0.873 113.4 48.8 -72.6 -36.1 24.3 13.9 19.5 373 818 A L H <>S+ 0 0 0 -4,-2.1 5,-2.4 -55,-0.2 6,-0.5 0.857 111.2 50.2 -69.6 -34.8 23.2 17.4 18.7 374 819 A Q H ><5S+ 0 0 36 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.857 99.9 63.9 -71.1 -35.1 23.8 18.5 22.3 375 820 A M H 3<5S+ 0 0 8 -4,-1.6 -268,-0.4 1,-0.3 88,-0.3 0.824 109.7 41.0 -55.5 -32.5 27.3 16.9 22.2 376 821 A L T 3<5S- 0 0 8 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.429 114.4-120.6 -93.7 -6.2 28.0 19.5 19.6 377 822 A G T < 5S+ 0 0 42 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.716 87.0 103.2 71.5 25.3 26.2 22.3 21.4 378 823 A V < + 0 0 1 -5,-2.4 -4,-0.2 14,-0.1 15,-0.1 0.219 40.0 138.7-123.1 15.3 23.7 22.9 18.6 379 824 A Q - 0 0 66 -6,-0.5 -19,-0.1 -9,-0.1 -20,-0.1 -0.302 62.6 -16.5 -66.1 141.2 20.5 21.2 19.7 380 825 A G S S- 0 0 11 -21,-1.5 -20,-0.1 -16,-0.2 9,-0.1 0.111 104.5 -23.1 62.1-171.6 17.2 23.0 19.0 381 826 A A - 0 0 58 1,-0.1 2,-1.0 8,-0.1 3,-0.1 -0.341 49.5-133.1 -75.2 147.1 16.6 26.6 18.1 382 827 A C > - 0 0 26 1,-0.2 3,-1.0 3,-0.1 6,-0.3 -0.800 23.2-172.6-100.1 87.8 19.0 29.5 18.9 383 828 A K T 3 S+ 0 0 192 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.0 0.821 81.7 49.6 -50.4 -36.0 16.5 31.9 20.4 384 829 A D T 3 S+ 0 0 162 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.739 130.3 15.4 -79.2 -24.9 19.1 34.7 20.6 385 830 A N S X S- 0 0 76 -3,-1.0 3,-2.3 0, 0.0 -1,-0.3 -0.577 86.9-141.8-151.2 77.2 20.3 34.3 17.0 386 831 A P T 3 S+ 0 0 55 0, 0.0 -179,-0.2 0, 0.0 -3,-0.1 -0.119 85.4 18.9 -46.2 125.2 17.9 32.2 14.9 387 832 A G T 3> S+ 0 0 1 -181,-0.1 4,-2.4 -182,-0.0 5,-0.2 0.212 91.6 108.9 96.4 -11.0 19.7 29.9 12.5 388 833 A E H <> S+ 0 0 52 -3,-2.3 4,-2.1 -6,-0.3 5,-0.1 0.804 75.8 51.9 -68.8 -32.5 23.0 30.0 14.3 389 834 A N H > S+ 0 0 27 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.886 112.6 46.3 -69.8 -40.1 22.8 26.5 15.6 390 835 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.911 113.4 48.8 -68.2 -41.8 22.1 25.2 12.1 391 836 A R H X S+ 0 0 38 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.898 110.2 51.9 -63.6 -42.9 24.9 27.3 10.6 392 837 A Q H X S+ 0 0 17 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.907 109.4 49.1 -60.9 -43.3 27.3 26.0 13.3 393 838 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.903 109.2 53.0 -64.0 -39.1 26.3 22.4 12.5 394 839 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.909 109.5 48.6 -61.4 -43.0 26.9 23.1 8.8 395 840 A R H X S+ 0 0 43 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.899 111.5 50.1 -64.1 -40.5 30.4 24.5 9.6 396 841 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.919 110.2 49.9 -64.4 -42.8 31.1 21.4 11.7 397 842 A V H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.950 112.7 46.7 -61.5 -45.2 30.0 19.1 8.9 398 843 A C H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.909 114.0 48.7 -64.8 -37.7 32.3 21.0 6.4 399 844 A G H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.909 111.6 47.7 -67.1 -43.8 35.1 20.8 8.9 400 845 A T H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.844 108.7 55.3 -66.5 -35.3 34.7 17.1 9.6 401 846 A V H X S+ 0 0 0 -4,-2.2 4,-3.2 -5,-0.2 5,-0.2 0.953 107.0 50.9 -62.3 -44.7 34.5 16.4 5.9 402 847 A M H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.884 108.8 50.5 -60.4 -39.4 37.9 18.1 5.5 403 848 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.909 113.0 46.9 -65.0 -39.8 39.3 16.0 8.2 404 849 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.919 110.7 51.3 -66.4 -43.6 38.0 12.9 6.4 405 850 A E H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 5,-0.2 0.890 109.0 52.8 -58.9 -41.4 39.3 14.1 3.0 406 851 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.948 112.6 42.3 -62.5 -47.8 42.8 14.6 4.6 407 852 A S H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.897 116.2 45.2 -69.2 -46.4 43.0 11.1 6.1 408 853 A L H X S+ 0 0 25 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.928 113.8 50.6 -63.9 -44.4 41.6 9.1 3.1 409 854 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.899 109.5 51.6 -61.6 -35.2 43.8 11.1 0.7 410 855 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.951 110.5 48.0 -65.0 -46.0 46.8 10.4 2.9 411 856 A A H X>S+ 0 0 12 -4,-2.3 5,-3.4 1,-0.2 4,-0.9 0.831 111.7 50.3 -63.5 -35.8 46.1 6.7 2.8 412 857 A L H <5S+ 0 0 6 -4,-2.3 3,-0.4 3,-0.2 -1,-0.2 0.925 111.5 47.8 -68.7 -41.9 45.6 6.7 -0.9 413 858 A A H <5S+ 0 0 27 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.828 117.6 41.9 -67.8 -32.2 48.9 8.6 -1.4 414 859 A A H <5S- 0 0 36 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.556 115.4-113.8 -91.2 -8.2 50.7 6.1 0.9 415 860 A G T <5S+ 0 0 52 -4,-0.9 -3,-0.2 -3,-0.4 3,-0.2 0.731 77.1 128.9 80.9 26.2 48.9 3.1 -0.5 416 861 A H < + 0 0 105 -5,-3.4 -4,-0.2 -6,-0.2 -5,-0.1 0.169 36.7 95.3 -97.8 13.7 47.1 2.3 2.7 417 862 A L 0 0 57 -6,-0.6 -1,-0.2 -5,-0.1 -5,-0.1 0.974 360.0 360.0 -68.3 -54.3 43.5 2.0 1.4 418 863 A V 0 0 76 -3,-0.2 -2,-0.1 202,-0.1 -1,-0.1 0.913 360.0 360.0 -82.0 360.0 43.4 -1.8 1.0 419 !* 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 0.0 420 461 B F 0 0 252 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 66.4 40.2 -5.6 38.5 421 462 B L - 0 0 87 3,-0.0 2,-0.3 4,-0.0 3,-0.0 -0.838 360.0-102.0-138.1 173.1 40.2 -1.8 38.6 422 463 B S > - 0 0 51 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.712 30.6-114.9 -98.2 155.1 37.6 0.9 39.0 423 464 B D H > S+ 0 0 51 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.919 118.9 55.5 -53.1 -40.1 36.2 2.9 36.1 424 465 B A H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.881 105.1 49.7 -59.7 -45.3 37.9 5.9 37.8 425 466 B E H > S+ 0 0 102 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 109.3 50.7 -63.2 -41.9 41.4 4.4 37.9 426 467 B I H X S+ 0 0 16 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.908 110.5 51.7 -62.5 -39.3 41.3 3.4 34.2 427 468 B I H X S+ 0 0 31 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.932 109.7 47.4 -62.3 -46.8 40.2 7.0 33.4 428 469 B Q 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B L E -QS 671 742F 0 -79,-2.9 -79,-3.1 -2,-0.2 2,-0.4 -0.811 21.0-166.1-100.2 113.0 -1.3 4.1 -15.9 751 792 B Y E +QS 670 741F 13 -10,-2.9 -10,-2.2 -2,-0.7 2,-0.4 -0.810 17.2 179.5 -90.2 133.3 1.9 2.4 -17.2 752 793 B I E +QS 669 740F 0 -83,-2.4 -83,-1.9 -2,-0.4 2,-0.3 -0.996 9.1 179.0-137.2 140.0 4.9 3.2 -14.9 753 794 B S E -QS 668 739F 0 -14,-2.3 -14,-2.6 -2,-0.4 2,-0.4 -0.988 10.6-163.3-138.3 148.0 8.5 2.2 -15.1 754 795 B C E -QS 667 738F 0 -87,-1.9 -87,-2.1 -2,-0.3 2,-0.5 -0.996 6.5-165.2-131.4 124.2 11.6 3.0 -13.0 755 796 B T E -QS 666 737F 5 -18,-2.4 -18,-1.7 -2,-0.4 -89,-0.2 -0.965 7.1-179.7-116.9 119.3 15.1 2.3 -14.4 756 797 B M E -Q 665 0F 0 -91,-3.0 -91,-2.8 -2,-0.5 3,-0.5 -0.898 3.5-178.6-122.2 98.0 18.0 2.3 -11.8 757 798 B P E S+ 0 0 15 0, 0.0 -96,-1.3 0, 0.0 -1,-0.1 0.579 73.2 40.7 -74.2 -11.3 21.3 1.6 -13.5 758 799 B S E + 0 0 0 -23,-0.4 2,-0.7 -98,-0.2 -23,-0.2 -0.348 58.8 160.3-143.1 61.2 23.5 1.7 -10.4 759 800 B I E -Q 663 0F 0 -96,-2.9 -96,-3.1 -3,-0.5 2,-0.8 -0.736 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109.4 51.3 -66.1 -43.0 15.9 40.6 -33.1 1609 838 D L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.924 108.7 51.3 -60.6 -41.1 18.6 38.4 -34.6 1610 839 D A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.896 108.5 51.5 -63.4 -37.5 18.4 36.1 -31.5 1611 840 D R H X S+ 0 0 34 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.884 111.3 48.4 -63.3 -40.7 14.6 35.8 -31.9 1612 841 D I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.871 109.0 52.3 -66.1 -41.5 15.2 34.8 -35.6 1613 842 D V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.945 113.0 45.0 -61.8 -45.5 17.8 32.3 -34.6 1614 843 D C H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.891 114.1 48.2 -64.6 -45.7 15.4 30.7 -32.1 1615 844 D G H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.914 113.4 48.2 -62.1 -42.0 12.4 30.8 -34.5 1616 845 D T H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.875 108.9 52.8 -68.1 -36.8 14.6 29.2 -37.3 1617 846 D V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.951 108.9 51.5 -61.6 -43.1 15.8 26.5 -34.9 1618 847 D M H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 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