==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-NOV-12 3ZDR . COMPND 2 MOLECULE: ACETALDEHYDE DEHYDROGENASE (ACETYLATING); . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS THERMOGLUCOSIDASIUS; . AUTHOR J.EXTANCE,S.J.CRENNELL,K.ELEY,R.CRIPPS,D.W.HOUGH,M.J.DANSON . 403 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17646.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 23 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 0 0 0 0 2 1 0 2 1 1 0 1 1 0 1 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 2 1 1 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 1 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 1 0 0 1 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 1 459 A N 0 0 215 0, 0.0 2,-0.1 0, 0.0 126,-0.0 0.000 360.0 360.0 360.0 -2.4 16.3 5.2 34.8 2 460 A M - 0 0 126 1,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.416 360.0-139.8 -85.6 166.9 19.4 3.0 34.2 3 461 A Q - 0 0 73 -2,-0.1 2,-0.3 126,-0.0 126,-0.1 -0.867 10.4-154.2-125.4 159.1 23.0 3.9 35.1 4 462 A W - 0 0 64 -2,-0.3 2,-0.4 261,-0.2 126,-0.0 -0.960 7.6-157.9-135.5 154.0 26.3 3.4 33.3 5 463 A F + 0 0 70 -2,-0.3 2,-0.4 2,-0.0 257,-0.1 -0.990 19.8 175.9-132.2 122.2 30.0 3.1 34.1 6 464 A K + 0 0 34 -2,-0.4 -2,-0.0 255,-0.2 258,-0.0 -0.989 7.8 153.6-135.3 135.1 32.6 3.8 31.5 7 465 A V - 0 0 42 -2,-0.4 148,-0.1 171,-0.1 149,-0.1 -0.932 55.7 -67.8-146.2 167.1 36.4 4.0 31.6 8 466 A P - 0 0 3 0, 0.0 172,-0.2 0, 0.0 173,-0.1 -0.421 45.1-129.3 -58.2 133.5 39.3 3.6 29.2 9 467 A P S S+ 0 0 99 0, 0.0 2,-0.4 0, 0.0 172,-0.1 0.677 93.2 38.0 -62.6 -17.7 39.4 -0.1 28.1 10 468 A K E +a 181 0A 106 170,-0.7 172,-2.3 169,-0.2 2,-0.5 -0.964 61.3 178.6-140.4 120.1 43.1 -0.3 28.9 11 469 A I E -a 182 0A 49 -2,-0.4 2,-0.4 170,-0.2 172,-0.2 -0.974 10.0-166.8-120.0 115.3 45.0 1.3 31.8 12 470 A Y E +a 183 0A 78 170,-2.8 172,-3.3 -2,-0.5 2,-0.2 -0.852 20.4 159.8-100.9 136.6 48.7 0.6 32.0 13 471 A F E +a 184 0A 105 -2,-0.4 172,-0.2 170,-0.2 237,-0.0 -0.812 20.5 71.8-149.3-174.1 50.5 1.5 35.2 14 472 A E S > S- 0 0 79 170,-0.8 3,-1.0 -2,-0.2 173,-0.1 0.026 94.5 -35.3 74.3 165.8 53.5 1.1 37.5 15 473 A K T 3 S+ 0 0 82 1,-0.2 -2,-0.1 170,-0.2 170,-0.1 -0.169 132.1 15.5 -57.2 144.6 56.9 2.5 36.6 16 474 A N T > S+ 0 0 58 1,-0.1 3,-1.1 2,-0.1 -1,-0.2 0.797 75.5 141.6 58.2 32.7 57.9 2.4 32.9 17 475 A A G X + 0 0 7 -3,-1.0 3,-1.6 1,-0.2 -2,-0.1 0.707 60.7 75.7 -68.9 -19.2 54.3 1.8 31.9 18 476 A V G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.1 -1,-0.2 0.696 72.4 81.5 -65.5 -18.5 55.1 4.1 29.0 19 477 A Q G X + 0 0 104 -3,-1.1 3,-1.6 1,-0.3 4,-0.4 0.617 68.8 83.6 -64.7 -11.0 57.0 1.2 27.4 20 478 A Y G X> S+ 0 0 23 -3,-1.6 4,-2.4 1,-0.3 3,-1.4 0.768 74.5 72.8 -61.9 -24.1 53.7 -0.0 26.1 21 479 A L G <4 S+ 0 0 0 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.712 92.3 55.2 -66.0 -20.0 54.1 2.4 23.2 22 480 A A G <4 S+ 0 0 22 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.664 118.2 34.7 -80.3 -18.1 56.8 0.0 21.9 23 481 A K T <4 S+ 0 0 172 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.1 0.607 84.3 119.6-108.9 -19.8 54.2 -2.8 22.0 24 482 A M < - 0 0 6 -4,-2.4 3,-0.3 1,-0.1 2,-0.1 -0.282 64.7-122.3 -59.0 124.8 51.0 -0.9 21.1 25 483 A P S S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.364 75.9 11.6 -76.2 144.8 49.6 -2.5 17.9 26 484 A D S S+ 0 0 140 1,-0.2 2,-0.4 -2,-0.1 -2,-0.0 0.934 80.6 131.3 67.0 55.3 48.8 -0.7 14.7 27 485 A I + 0 0 8 -3,-0.3 -1,-0.2 1,-0.1 3,-0.1 -0.958 8.2 147.0-140.3 122.5 50.5 2.8 15.1 28 486 A S S S+ 0 0 52 -2,-0.4 31,-1.8 1,-0.3 2,-0.4 0.533 70.1 46.3-125.0 -20.5 52.8 4.3 12.4 29 487 A R E -b 59 0A 80 29,-0.2 59,-1.9 2,-0.0 60,-1.4 -0.941 68.1-168.1-136.1 109.9 52.1 8.0 12.7 30 488 A A E -bc 60 89A 0 29,-2.1 31,-2.5 -2,-0.4 2,-0.6 -0.852 10.4-162.3-107.2 130.9 52.0 9.7 16.2 31 489 A F E -bc 61 90A 0 58,-2.4 60,-2.2 -2,-0.4 2,-0.6 -0.940 15.6-158.1-109.3 110.4 50.7 13.2 17.0 32 490 A I E -bc 62 91A 0 29,-3.1 31,-3.1 -2,-0.6 2,-0.6 -0.798 6.2-167.2 -98.1 120.9 52.0 14.2 20.4 33 491 A V E +bc 63 92A 0 58,-2.3 60,-2.7 -2,-0.6 2,-0.2 -0.929 33.9 116.1-109.6 119.2 50.1 17.0 22.2 34 492 A T - 0 0 0 29,-2.6 32,-0.3 -2,-0.6 60,-0.1 -0.740 53.1 -96.5-155.8-162.0 51.9 18.5 25.2 35 493 A D >> - 0 0 39 58,-0.4 4,-1.3 -2,-0.2 3,-1.0 -0.882 40.2 -96.4-133.4 166.4 53.4 21.7 26.7 36 494 A P H 3> S+ 0 0 87 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.754 117.2 64.8 -55.4 -26.6 57.0 23.2 26.9 37 495 A G H 3> S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 6,-0.2 0.912 101.8 45.8 -62.8 -45.4 57.4 21.8 30.4 38 496 A M H <4>S+ 0 0 23 -3,-1.0 5,-2.1 1,-0.2 6,-1.1 0.838 112.8 51.4 -69.5 -33.0 57.2 18.2 29.3 39 497 A V H ><5S+ 0 0 60 -4,-1.3 3,-1.3 4,-0.2 -1,-0.2 0.909 107.8 53.6 -65.9 -42.7 59.6 18.9 26.5 40 498 A K H 3<5S+ 0 0 181 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.876 108.2 48.6 -59.5 -41.4 62.0 20.6 29.0 41 499 A L T 3<5S- 0 0 81 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.404 114.1-115.6 -83.5 3.1 62.1 17.5 31.3 42 500 A G T <>5S+ 0 0 17 -3,-1.3 4,-1.4 -4,-0.2 -3,-0.2 0.692 77.7 130.9 71.2 18.0 62.8 15.2 28.3 43 501 A Y H > S+ 0 0 2 -6,-1.1 4,-2.7 1,-0.2 5,-0.2 0.888 107.8 53.8 -66.3 -38.7 58.6 13.8 25.2 45 503 A D H > S+ 0 0 100 -7,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.849 105.7 54.5 -60.0 -35.2 62.0 12.3 24.5 46 504 A K H X S+ 0 0 63 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.912 110.3 45.0 -66.2 -43.6 61.0 9.4 26.8 47 505 A V H X S+ 0 0 0 -4,-1.8 4,-1.0 1,-0.2 3,-0.4 0.912 113.8 48.8 -64.7 -45.2 57.8 8.8 24.7 48 506 A L H X S+ 0 0 27 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.780 102.3 65.3 -68.1 -26.5 59.6 9.1 21.4 49 507 A Y H X S+ 0 0 89 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.901 104.4 43.0 -62.4 -42.7 62.3 6.7 22.6 50 508 A Y H < S+ 0 0 38 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.709 109.6 56.7 -80.9 -20.7 59.8 3.8 22.9 51 509 A L H >< S+ 0 0 2 -4,-1.0 3,-1.1 1,-0.2 -1,-0.2 0.839 105.6 52.5 -74.7 -33.6 58.2 4.6 19.5 52 510 A R H 3< S+ 0 0 155 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.838 99.6 63.4 -65.9 -34.3 61.6 4.3 17.9 53 511 A R T 3< S+ 0 0 145 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.469 79.9 109.3 -74.1 -0.7 62.1 0.9 19.5 54 512 A R S < S- 0 0 34 -3,-1.1 4,-0.1 2,-0.2 -31,-0.1 -0.475 80.1-123.4 -71.2 147.8 59.1 -0.4 17.4 55 513 A P S S+ 0 0 128 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.894 96.4 58.7 -59.6 -39.1 60.0 -2.8 14.6 56 514 A D S S- 0 0 130 1,-0.1 -2,-0.2 -3,-0.0 0, 0.0 -0.713 100.0 -97.1 -97.4 143.8 58.4 -0.5 12.1 57 515 A Y - 0 0 175 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 -0.199 35.3-155.5 -56.3 140.2 59.3 3.1 11.4 58 516 A V - 0 0 21 -4,-0.1 2,-0.4 -29,-0.0 -29,-0.2 -0.956 4.7-153.6-127.2 113.6 57.2 5.8 13.2 59 517 A H E -b 29 0A 90 -31,-1.8 -29,-2.1 -2,-0.5 2,-0.4 -0.712 21.9-165.5 -80.1 131.8 56.8 9.3 12.0 60 518 A S E -b 30 0A 39 -2,-0.4 2,-0.4 -31,-0.2 -29,-0.2 -0.958 15.3-167.0-125.9 138.8 56.1 11.7 14.8 61 519 A E E -b 31 0A 90 -31,-2.5 -29,-3.1 -2,-0.4 2,-0.4 -0.970 13.8-148.4-120.0 141.9 54.8 15.3 15.0 62 520 A I E -b 32 0A 67 -2,-0.4 2,-0.5 -31,-0.2 -29,-0.2 -0.906 11.2-170.7-114.2 135.6 54.9 17.4 18.2 63 521 A F E +b 33 0A 0 -31,-3.1 -29,-2.6 -2,-0.4 3,-0.0 -0.895 22.5 152.8-125.1 99.0 52.4 20.1 19.3 64 522 A S + 0 0 39 -2,-0.5 2,-2.9 -31,-0.2 -27,-0.1 0.584 41.7 100.0-104.8 -15.1 53.8 21.9 22.3 65 523 A E + 0 0 90 -30,-0.2 2,-0.5 -29,-0.1 -1,-0.1 -0.314 51.2 134.5 -74.9 62.6 52.2 25.3 21.9 66 524 A V - 0 0 12 -2,-2.9 31,-0.1 -32,-0.3 3,-0.1 -0.960 37.0-161.8-114.0 128.6 49.4 24.5 24.5 67 525 A E - 0 0 55 -2,-0.5 7,-0.0 30,-0.1 -2,-0.0 -0.658 36.0 -81.5-103.5 159.6 48.6 27.1 27.2 68 526 A P S S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.376 119.0 20.4 -56.4 140.0 46.7 26.7 30.5 69 527 A D S S- 0 0 71 1,-0.1 92,-0.1 -3,-0.1 -2,-0.1 0.998 101.2-129.9 55.3 76.3 43.0 26.7 29.8 70 528 A P - 0 0 5 0, 0.0 92,-2.3 0, 0.0 2,-0.2 -0.255 19.4-140.6 -62.4 140.9 43.3 25.8 26.0 71 529 A S B > -f 162 0B 8 90,-0.2 4,-1.7 1,-0.1 92,-0.2 -0.470 22.7-111.4 -97.9 169.4 41.4 28.0 23.5 72 530 A I H > S+ 0 0 14 90,-1.0 4,-3.0 1,-0.2 5,-0.3 0.840 118.3 61.1 -67.2 -33.5 39.5 27.0 20.4 73 531 A E H > S+ 0 0 113 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.905 104.6 48.2 -59.4 -42.1 42.2 28.8 18.4 74 532 A T H > S+ 0 0 14 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.903 112.4 50.0 -63.3 -42.2 44.7 26.3 19.8 75 533 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 3,-0.3 0.966 110.6 45.8 -62.2 -55.8 42.4 23.4 19.0 76 534 A M H X S+ 0 0 67 -4,-3.0 4,-1.7 1,-0.3 -1,-0.2 0.772 110.2 56.7 -62.9 -26.2 41.7 24.3 15.4 77 535 A K H X S+ 0 0 104 -4,-1.4 4,-1.4 -5,-0.3 -1,-0.3 0.915 109.7 44.7 -67.9 -43.7 45.4 24.9 14.9 78 536 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 -3,-0.3 -2,-0.2 0.894 110.0 54.9 -65.8 -42.1 46.1 21.4 16.1 79 537 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.894 104.0 55.3 -58.3 -42.3 43.4 20.0 13.9 80 538 A D H X S+ 0 0 89 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.895 109.7 45.7 -59.6 -42.0 44.9 21.6 10.8 81 539 A M H X S+ 0 0 62 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.873 112.5 51.9 -67.6 -38.0 48.2 19.9 11.5 82 540 A M H X S+ 0 0 0 -4,-2.2 4,-4.4 1,-0.2 -2,-0.2 0.904 105.4 54.4 -64.5 -42.8 46.5 16.6 12.1 83 541 A R H < S+ 0 0 88 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.800 115.7 39.3 -65.1 -29.3 44.5 16.8 8.9 84 542 A S H < S+ 0 0 109 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.820 124.1 39.3 -85.1 -35.7 47.8 17.2 6.9 85 543 A F H < S- 0 0 20 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.852 88.6-156.6 -82.5 -37.2 49.7 14.7 9.0 86 544 A E < - 0 0 123 -4,-4.4 2,-0.2 -5,-0.2 -3,-0.1 0.990 13.0-160.5 53.8 75.3 47.0 12.1 9.5 87 545 A P - 0 0 2 0, 0.0 -57,-0.2 0, 0.0 -1,-0.1 -0.544 22.2-156.1 -80.7 150.1 48.1 10.3 12.7 88 546 A D S S+ 0 0 27 -59,-1.9 53,-2.0 1,-0.2 2,-0.3 0.298 85.9 37.3-103.1 3.3 46.8 6.9 13.6 89 547 A V E -cd 30 141A 0 -60,-1.4 -58,-2.4 51,-0.3 2,-0.5 -0.959 65.6-158.6-151.6 139.1 47.5 7.6 17.3 90 548 A I E -cd 31 142A 0 51,-3.2 53,-3.3 -2,-0.3 2,-0.6 -0.980 10.0-162.8-117.2 124.5 47.2 10.8 19.4 91 549 A I E -cd 32 143A 0 -60,-2.2 -58,-2.3 -2,-0.5 2,-0.7 -0.908 2.0-161.8-114.1 107.2 49.3 11.0 22.6 92 550 A A E -cd 33 144A 0 51,-2.5 53,-2.7 -2,-0.6 2,-0.6 -0.792 13.1-177.5 -89.4 112.3 48.3 13.6 25.1 93 551 A L E + d 0 145A 0 -60,-2.7 -58,-0.4 -2,-0.7 2,-0.3 -0.924 42.4 31.5-117.6 108.2 51.3 14.1 27.5 94 552 A G E S- d 0 146A 0 51,-1.4 53,-0.8 -2,-0.6 54,-0.3 -0.985 88.9 -34.8 152.4-158.0 50.8 16.5 30.4 95 553 A G S > S- 0 0 15 -2,-0.3 4,-1.3 51,-0.2 5,-0.1 0.231 83.3 -64.8 -78.0-155.2 48.3 17.9 32.9 96 554 A G H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.765 127.2 62.9 -68.0 -25.9 44.6 18.6 32.3 97 555 A S H > S+ 0 0 32 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.964 107.7 36.6 -70.1 -54.6 45.4 21.3 29.7 98 556 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.825 117.8 56.0 -66.4 -27.0 47.1 19.3 27.0 99 557 A M H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.957 112.9 38.1 -66.8 -52.1 44.7 16.4 27.8 100 558 A D H X S+ 0 0 28 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.859 116.5 53.7 -67.6 -36.3 41.6 18.5 27.2 101 559 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.912 110.7 45.8 -63.8 -43.6 43.3 20.2 24.3 102 560 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.885 109.4 54.7 -68.1 -41.2 44.1 16.9 22.6 103 561 A K H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.877 107.5 51.7 -56.8 -40.0 40.6 15.5 23.3 104 562 A A H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.890 109.7 47.3 -67.6 -41.3 39.2 18.5 21.5 105 563 A M H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.887 107.9 57.5 -65.8 -39.7 41.4 18.1 18.4 106 564 A W H X S+ 0 0 8 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.876 103.9 54.2 -57.3 -40.7 40.5 14.4 18.3 107 565 A L H X S+ 0 0 1 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.959 114.3 37.2 -58.9 -55.7 36.8 15.4 18.1 108 566 A F H < S+ 0 0 4 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.758 114.6 56.2 -74.9 -25.3 37.2 17.6 15.0 109 567 A Y H < S+ 0 0 5 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.924 116.7 35.7 -68.4 -44.6 39.8 15.4 13.4 110 568 A E H < S+ 0 0 32 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.812 128.1 39.0 -77.2 -32.6 37.4 12.4 13.6 111 569 A H >< + 0 0 57 -4,-2.5 3,-1.8 -5,-0.2 -1,-0.3 -0.716 61.1 166.8-121.0 79.6 34.4 14.5 12.9 112 570 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.708 77.3 65.6 -64.1 -17.5 35.3 17.2 10.3 113 571 A T T 3 S+ 0 0 135 -3,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.310 82.6 104.0 -87.9 6.3 31.5 17.8 9.9 114 572 A A < - 0 0 16 -3,-1.8 2,-0.4 -6,-0.2 -3,-0.0 -0.673 56.7-154.3 -92.6 145.4 31.3 19.1 13.5 115 573 A D > - 0 0 89 -2,-0.3 4,-1.4 1,-0.1 3,-0.1 -0.950 13.8-149.5-119.5 138.4 31.0 22.8 14.4 116 574 A F H > S+ 0 0 17 -2,-0.4 4,-2.0 2,-0.2 5,-0.1 0.858 99.2 61.6 -72.6 -36.3 32.2 24.4 17.6 117 575 A N H 4 S+ 0 0 98 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.825 106.5 47.8 -58.0 -31.3 29.5 27.1 17.4 118 576 A A H >> S+ 0 0 35 1,-0.2 4,-1.4 2,-0.2 3,-1.0 0.891 110.1 50.6 -74.1 -41.9 27.0 24.3 17.6 119 577 A L H 3< S+ 0 0 7 -4,-1.4 54,-0.3 1,-0.2 -2,-0.2 0.757 97.5 70.1 -68.5 -25.8 28.7 22.6 20.5 120 578 A K T 3< S+ 0 0 55 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.810 105.6 38.7 -59.0 -31.5 28.7 25.9 22.4 121 579 A Q T <4 S+ 0 0 154 -3,-1.0 2,-0.2 -4,-0.4 -2,-0.2 0.853 96.8 81.4 -94.2 -41.1 25.0 25.7 22.9 122 580 A K S < S- 0 0 89 -4,-1.4 51,-0.3 51,-0.1 2,-0.3 -0.530 72.3-150.7 -71.2 132.6 24.3 22.1 23.5 123 581 A F - 0 0 153 -2,-0.2 2,-0.9 49,-0.1 51,-0.1 -0.750 21.2 -97.8-113.5 153.3 25.1 21.3 27.2 124 582 A L - 0 0 43 -2,-0.3 2,-0.7 47,-0.1 48,-0.0 -0.549 35.5-166.5 -70.4 102.6 26.2 18.2 29.1 125 583 A D > - 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0 0 15 -5,-0.5 -1,-0.2 -6,-0.4 5,-0.1 -0.774 47.6-101.6 -89.4 129.4 44.0 30.7 43.9 285 743 A P > - 0 0 61 0, 0.0 4,-2.5 0, 0.0 3,-0.2 -0.163 30.9-116.7 -51.1 141.9 45.3 27.2 42.8 286 744 A H H > S+ 0 0 71 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.888 112.2 38.1 -47.8 -58.3 42.5 24.6 42.2 287 745 A G H > S+ 0 0 3 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.773 114.0 57.5 -69.7 -26.1 43.4 22.1 45.0 288 746 A R H > S+ 0 0 45 -3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.890 108.9 45.2 -70.1 -40.2 44.3 24.9 47.3 289 747 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.858 109.6 56.0 -70.3 -37.2 40.8 26.4 47.0 290 748 A N H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.835 105.2 52.3 -63.4 -34.2 39.2 23.0 47.4 291 749 A T H < S+ 0 0 1 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.873 107.7 50.5 -72.4 -38.5 41.0 22.5 50.7 292 750 A I H < S+ 0 0 2 -4,-1.3 4,-0.3 1,-0.2 -1,-0.2 0.861 116.9 41.3 -65.3 -35.9 39.7 25.8 52.2 293 751 A L H >X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 3,-0.9 0.785 94.3 81.2 -84.5 -29.6 36.2 25.0 51.2 294 752 A M H 3X S+ 0 0 3 -4,-1.8 4,-2.5 1,-0.3 5,-0.3 0.829 87.6 53.2 -52.6 -46.8 36.0 21.3 52.1 295 753 A P H 3> S+ 0 0 3 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.889 117.0 39.5 -56.1 -38.4 35.3 21.7 55.9 296 754 A H H <> S+ 0 0 5 -3,-0.9 4,-1.4 -4,-0.3 -2,-0.2 0.758 114.6 51.5 -85.9 -28.1 32.4 24.0 55.2 297 755 A V H X S+ 0 0 1 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.875 108.9 50.9 -75.0 -39.3 31.0 22.1 52.2 298 756 A I H X S+ 0 0 2 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.891 110.3 49.9 -64.8 -40.1 31.0 18.8 54.1 299 757 A R H X S+ 0 0 77 -4,-1.1 4,-1.1 -5,-0.3 -1,-0.2 0.867 113.3 46.6 -67.3 -37.0 29.1 20.4 57.0 300 758 A Y H >< S+ 0 0 38 -4,-1.4 3,-0.6 2,-0.2 -2,-0.2 0.958 114.6 45.1 -67.1 -52.3 26.6 21.9 54.6 301 759 A N H 3< S+ 0 0 0 -4,-3.0 12,-0.2 1,-0.2 -2,-0.2 0.804 111.7 54.4 -62.6 -29.6 26.0 18.6 52.6 302 760 A A H 3< S+ 0 0 14 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.2 0.771 83.9 100.8 -75.4 -27.4 25.8 16.7 55.9 303 761 A A S << S- 0 0 48 -4,-1.1 3,-0.1 -3,-0.6 9,-0.1 -0.455 87.3-113.9 -62.2 119.3 23.1 19.0 57.2 304 762 A K - 0 0 146 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.317 43.7 -96.7 -58.4 133.8 19.8 17.0 56.7 305 763 A P - 0 0 55 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.096 43.8 -87.8 -61.4 152.2 17.8 18.9 54.1 306 764 A K 0 0 212 -3,-0.1 -3,-0.0 1,-0.1 -2,-0.0 -0.416 360.0 360.0 -60.6 108.5 15.0 21.4 55.1 307 765 A K 0 0 239 -2,-0.5 -1,-0.1 -3,-0.1 -3,-0.0 -0.530 360.0 360.0-162.2 360.0 11.9 19.2 55.5 308 ! 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 0.0 309 774 A Y 0 0 206 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.3 16.3 9.6 50.1 310 775 A F + 0 0 40 1,-0.1 76,-0.1 -5,-0.0 -6,-0.0 -0.613 360.0 150.3 -82.3 132.1 19.0 11.7 51.6 311 776 A K > + 0 0 90 -2,-0.3 4,-2.5 -98,-0.1 3,-0.3 0.301 33.0 112.9-141.0 3.4 22.2 9.9 52.8 312 777 A A H > S+ 0 0 3 1,-0.3 4,-1.8 2,-0.2 -10,-0.2 0.838 81.2 51.2 -57.0 -36.4 25.1 12.4 52.5 313 778 A D H > S+ 0 0 14 -11,-0.2 4,-1.2 -12,-0.2 -1,-0.3 0.906 112.2 46.0 -67.3 -41.9 25.5 12.6 56.3 314 779 A Q H > S+ 0 0 74 -3,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.881 111.2 52.4 -66.7 -38.8 25.7 8.8 56.6 315 780 A R H X S+ 0 0 34 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.837 105.1 54.2 -71.6 -33.1 28.1 8.5 53.7 316 781 A Y H X S+ 0 0 4 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.861 108.7 51.0 -62.5 -36.1 30.5 11.0 55.1 317 782 A A H X S+ 0 0 0 -4,-1.2 4,-2.8 1,-0.2 -2,-0.2 0.810 101.6 60.3 -73.6 -30.8 30.5 8.9 58.3 318 783 A E H X S+ 0 0 65 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.868 104.3 50.9 -61.4 -37.3 31.3 5.8 56.3 319 784 A I H X S+ 0 0 0 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.899 111.7 46.6 -67.4 -41.6 34.5 7.5 55.2 320 785 A A H <>S+ 0 0 0 -4,-1.4 5,-3.0 2,-0.2 4,-0.4 0.924 111.6 51.8 -63.7 -44.6 35.4 8.3 58.7 321 786 A R H ><5S+ 0 0 124 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.883 111.3 45.7 -62.7 -40.5 34.6 4.8 59.9 322 787 A M H 3<5S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.790 107.2 58.8 -74.6 -27.8 36.8 3.2 57.2 323 788 A L T 3<5S- 0 0 44 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.536 120.3-113.9 -73.7 -6.9 39.5 5.7 58.1 324 789 A G T < 5S+ 0 0 66 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.688 70.9 141.1 81.0 19.8 39.3 4.2 61.6 325 790 A L < - 0 0 54 -5,-3.0 -1,-0.3 -6,-0.2 2,-0.2 -0.566 65.3 -79.7 -92.6 157.3 38.0 7.5 63.0 326 791 A P + 0 0 69 0, 0.0 10,-0.3 0, 0.0 11,-0.1 -0.391 62.1 147.9 -57.4 118.0 35.4 7.9 65.7 327 792 A A + 0 0 8 -2,-0.2 -6,-0.1 -6,-0.1 6,-0.1 -0.211 12.0 138.4-147.1 45.3 32.0 7.5 64.0 328 793 A R S S+ 0 0 207 1,-0.1 2,-0.3 2,-0.0 3,-0.0 0.821 82.6 26.7 -63.0 -30.9 29.8 5.9 66.7 329 794 A T S > S- 0 0 74 1,-0.1 4,-2.3 -3,-0.0 5,-0.2 -0.932 87.3-117.3-127.4 156.5 27.1 8.3 65.5 330 795 A T H > S+ 0 0 44 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.855 112.0 55.0 -57.9 -37.0 26.6 9.9 62.1 331 796 A E H > S+ 0 0 166 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.913 113.4 37.1 -69.0 -45.4 27.1 13.4 63.5 332 797 A E H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.818 112.0 60.6 -76.6 -32.0 30.5 12.9 65.1 333 798 A G H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.894 105.7 48.8 -58.5 -40.8 31.5 10.6 62.2 334 799 A V H X S+ 0 0 12 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.939 112.3 46.4 -62.9 -49.0 31.0 13.6 59.9 335 800 A E H X S+ 0 0 62 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.795 106.9 59.3 -69.0 -27.9 33.0 15.9 62.2 336 801 A S H X S+ 0 0 19 -4,-2.4 4,-2.4 -10,-0.3 -1,-0.2 0.947 105.6 48.4 -61.7 -48.3 35.8 13.3 62.5 337 802 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.894 110.1 52.8 -58.0 -41.6 36.2 13.4 58.7 338 803 A V H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.916 110.5 46.7 -60.3 -44.5 36.3 17.2 58.8 339 804 A Q H X S+ 0 0 98 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.856 107.9 55.9 -68.9 -35.8 39.0 17.2 61.5 340 805 A A H X S+ 0 0 18 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.883 108.3 48.9 -62.4 -38.5 41.1 14.6 59.6 341 806 A I H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.853 109.4 51.8 -70.4 -36.0 41.1 16.8 56.5 342 807 A I H X S+ 0 0 7 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.902 109.9 49.8 -66.4 -41.7 42.1 19.9 58.6 343 808 A K H X S+ 0 0 138 -4,-2.3 4,-2.0 2,-0.2 3,-0.3 0.957 111.9 47.8 -59.2 -51.9 45.0 17.9 60.1 344 809 A L H X S+ 0 0 2 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.923 109.0 53.4 -55.5 -48.4 46.1 16.8 56.6 345 810 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 -1,-0.2 0.851 108.9 50.3 -57.0 -36.8 45.9 20.3 55.2 346 811 A K H ><5S+ 0 0 126 -4,-1.8 3,-1.5 -3,-0.3 -1,-0.2 0.867 104.7 56.3 -70.8 -37.8 48.2 21.5 58.1 347 812 A Q H 3<5S+ 0 0 68 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.827 108.6 49.1 -60.0 -32.1 50.7 18.8 57.4 348 813 A L T 3<5S- 0 0 1 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.316 112.8-120.9 -92.9 7.1 50.9 20.1 53.8 349 814 A D T < 5 + 0 0 113 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.880 59.3 154.4 56.4 42.4 51.4 23.7 55.0 350 815 A M < - 0 0 11 -5,-2.3 -1,-0.2 1,-0.1 -2,-0.1 -0.723 46.9-102.7-101.1 151.2 48.2 24.8 53.2 351 816 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.233 19.1-157.5 -66.2 162.0 46.0 27.8 54.1 352 817 A L S S+ 0 0 34 1,-0.1 52,-1.1 50,-0.1 2,-0.3 0.022 70.3 42.1-130.6 23.9 42.7 27.3 55.9 353 818 A S S S- 0 0 14 50,-0.2 4,-0.4 51,-0.1 48,-0.2 -0.973 74.8-121.8-163.0 156.3 40.9 30.5 54.9 354 819 A I S > >S+ 0 0 0 46,-1.6 5,-1.2 -2,-0.3 3,-0.8 0.829 115.8 56.9 -69.5 -31.3 40.4 32.8 51.9 355 820 A E G > 5S+ 0 0 105 46,-1.0 3,-1.3 45,-0.3 -1,-0.2 0.842 98.5 59.9 -67.2 -33.8 41.8 35.6 54.0 356 821 A A G 3 5S+ 0 0 65 1,-0.3 -1,-0.2 45,-0.2 -2,-0.2 0.668 95.7 64.3 -68.3 -16.1 45.0 33.6 54.5 357 822 A C G < 5S- 0 0 47 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.582 127.0 -93.0 -84.8 -11.2 45.5 33.5 50.7 358 823 A G T < 5S+ 0 0 65 -3,-1.3 2,-0.4 1,-0.3 -3,-0.2 0.390 80.6 139.8 112.5 2.3 45.9 37.3 50.5 359 824 A V < - 0 0 9 -5,-1.2 -1,-0.3 1,-0.1 -2,-0.1 -0.663 46.5-135.0 -82.0 126.3 42.3 38.2 49.9 360 825 A S > - 0 0 60 -2,-0.4 4,-0.6 1,-0.1 -1,-0.1 -0.066 17.2-119.0 -64.9 176.6 41.1 41.3 51.7 361 826 A K H > S+ 0 0 115 2,-0.2 4,-1.8 3,-0.1 -1,-0.1 0.683 116.3 45.1 -92.7 -21.8 37.7 41.3 53.4 362 827 A Q H > S+ 0 0 146 2,-0.2 4,-1.4 3,-0.1 5,-0.1 0.828 110.6 53.2 -84.4 -37.7 36.4 44.1 51.2 363 828 A E H 4 S+ 0 0 89 2,-0.2 4,-0.2 1,-0.2 -2,-0.2 0.844 116.4 42.1 -62.3 -33.6 37.8 42.5 48.1 364 829 A F H >X S+ 0 0 4 -4,-0.6 3,-1.8 2,-0.2 4,-1.4 0.940 111.1 50.5 -79.2 -52.8 35.9 39.4 49.1 365 830 A E H 3< S+ 0 0 65 -4,-1.8 4,-0.3 1,-0.3 -2,-0.2 0.734 107.3 57.7 -61.7 -22.3 32.6 40.8 50.3 366 831 A S T 3< S+ 0 0 88 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.642 116.3 33.6 -80.7 -15.6 32.4 42.8 47.0 367 832 A K T <> S+ 0 0 64 -3,-1.8 4,-2.4 -4,-0.2 5,-0.3 0.530 90.0 94.4-114.5 -12.3 32.6 39.6 45.0 368 833 A V H X S+ 0 0 5 -4,-1.4 4,-2.1 1,-0.3 5,-0.2 0.829 86.4 47.6 -61.1 -39.4 30.7 37.0 47.1 369 834 A E H > S+ 0 0 98 -4,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.897 112.8 51.0 -66.7 -40.2 27.3 37.4 45.5 370 835 A K H > S+ 0 0 95 -3,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.938 113.1 43.3 -61.8 -50.0 28.8 37.1 42.0 371 836 A L H X S+ 0 0 4 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.872 111.4 54.6 -66.7 -38.0 30.8 34.0 42.8 372 837 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.891 110.0 47.0 -62.9 -40.3 27.9 32.3 44.6 373 838 A E H X S+ 0 0 81 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.894 115.1 45.5 -68.5 -41.4 25.6 32.8 41.6 374 839 A L H X S+ 0 0 66 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.867 109.8 55.2 -68.7 -38.4 28.3 31.5 39.2 375 840 A A H >< S+ 0 0 0 -4,-2.9 3,-0.9 1,-0.2 6,-0.3 0.928 106.5 50.6 -60.8 -45.8 29.0 28.6 41.4 376 841 A F H 3< S+ 0 0 80 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.891 108.5 53.4 -57.2 -40.3 25.4 27.6 41.4 377 842 A E H 3< S+ 0 0 137 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.666 84.6 112.1 -71.2 -18.3 25.4 27.8 37.6 378 843 A D S X< S- 0 0 17 -3,-0.9 3,-1.6 -4,-0.9 4,-0.4 -0.311 76.4-126.2 -59.7 138.0 28.4 25.4 37.4 379 844 A Q G > S+ 0 0 58 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.843 106.5 65.8 -51.3 -39.6 27.6 22.1 35.9 380 845 A X G > S+ 0 0 14 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.751 85.6 71.1 -59.9 -25.8 29.0 20.3 39.0 381 846 A T G X S+ 0 0 5 -3,-1.6 3,-1.5 -6,-0.3 -1,-0.3 0.808 85.4 68.8 -60.2 -30.0 26.3 21.7 41.2 382 847 A T G < S+ 0 0 88 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.784 100.2 46.9 -60.7 -28.8 23.8 19.4 39.4 383 848 A A G < S+ 0 0 0 -3,-1.3 -168,-2.0 -4,-0.3 -167,-0.4 0.364 82.4 121.4 -99.0 3.6 25.4 16.3 41.0 384 849 A N S < S- 0 0 3 -3,-1.5 -115,-0.1 -4,-0.2 -170,-0.1 -0.394 76.2-116.4 -65.9 144.0 25.6 17.7 44.6 385 850 A P S S+ 0 0 31 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.743 102.0 22.6 -57.1 -23.2 23.7 15.5 47.1 386 851 A K S S- 0 0 28 -5,-0.1 -3,-0.1 -76,-0.1 -2,-0.0 -0.978 85.2-118.7-146.0 134.1 21.4 18.5 47.7 387 852 A L - 0 0 130 -2,-0.3 2,-0.2 -3,-0.1 -5,-0.1 -0.561 37.8-149.9 -71.3 118.5 20.6 21.4 45.5 388 853 A P - 0 0 3 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.568 9.4-120.3 -92.9 155.6 21.6 24.6 47.3 389 854 A L > - 0 0 113 -2,-0.2 4,-1.4 1,-0.1 3,-0.4 -0.474 31.7-111.8 -76.9 159.8 20.2 28.1 47.2 390 855 A V H > S+ 0 0 42 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.841 122.4 58.0 -60.1 -31.4 22.5 30.9 46.1 391 856 A S H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.830 99.6 56.3 -68.3 -33.2 22.2 32.1 49.7 392 857 A D H > S+ 0 0 46 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.877 107.9 48.5 -64.1 -37.0 23.6 28.7 50.9 393 858 A L H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.792 107.5 55.0 -75.5 -29.2 26.7 29.2 48.8 394 859 A V H X S+ 0 0 10 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.938 108.4 48.9 -65.2 -46.8 27.2 32.8 50.1 395 860 A H H X S+ 0 0 106 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.914 110.5 50.0 -59.7 -46.1 27.2 31.4 53.7 396 861 A I H X S+ 0 0 3 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.914 110.2 50.8 -58.5 -45.3 29.7 28.7 52.8 397 862 A Y H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.858 110.3 50.0 -60.3 -37.5 31.9 31.3 51.2 398 863 A R H X S+ 0 0 103 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.886 110.2 48.6 -71.5 -40.2 31.7 33.5 54.3 399 864 A Q H X S+ 0 0 54 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.864 109.5 55.1 -62.9 -36.4 32.6 30.6 56.6 400 865 A A H < S+ 0 0 0 -4,-2.1 -46,-1.6 -5,-0.2 -45,-0.3 0.770 103.2 55.1 -69.5 -26.9 35.5 29.8 54.3 401 866 A F H < S+ 0 0 10 -4,-1.1 -46,-1.0 -48,-0.2 -45,-0.2 0.913 110.2 44.1 -73.5 -44.0 36.8 33.4 54.6 402 867 A K H < S- 0 0 168 -4,-1.6 -2,-0.2 1,-0.2 2,-0.2 0.941 107.5-156.0 -58.7 -48.5 37.0 33.1 58.4 403 868 A G < 0 0 12 -4,-2.5 -50,-0.2 -5,-0.2 -1,-0.2 -0.591 360.0 360.0 103.2-165.4 38.5 29.7 57.9 404 869 A V 0 0 72 -52,-1.1 -51,-0.1 -2,-0.2 -1,-0.1 0.145 360.0 360.0-178.3 360.0 38.6 26.7 60.2