==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 22-MAY-10 3N4Q . COMPND 2 MOLECULE: TERMINASE SUBUNIT UL89 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN HERPESVIRUS 5; . AUTHOR M.NADAL,P.J.MAS,A.G.BLANCO,C.ARNAN,M.SOLA,D.J.HART,M.COLL . 870 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 631 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 12.3 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 67 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 0 0 0 8 1 1 2 2 2 0 2 0 3 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 4 0 7 0 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 PARALLEL BRIDGES PER LADDER . 5 5 4 0 4 0 1 0 3 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 . 3 0 0 0 0 0 1 1 0 2 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 1 429 A L 0 0 166 0, 0.0 2,-0.4 0, 0.0 157,-0.1 0.000 360.0 360.0 360.0 170.9 70.8 29.4 52.2 2 430 A I - 0 0 24 185,-0.1 153,-0.0 188,-0.1 152,-0.0 -0.855 360.0-110.2-122.3 132.6 70.8 29.1 48.4 3 431 A T > - 0 0 59 -2,-0.4 4,-1.0 1,-0.1 5,-0.1 -0.050 17.4-130.6 -57.1 150.7 70.9 26.2 45.9 4 432 A D H > S+ 0 0 114 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.753 112.3 49.7 -69.2 -23.5 73.9 25.5 43.7 5 433 A Q H > S+ 0 0 78 2,-0.2 4,-3.2 1,-0.2 5,-0.4 0.956 100.4 57.0 -77.1 -54.7 71.3 25.3 41.0 6 434 A S H > S+ 0 0 11 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.761 114.1 44.6 -54.6 -25.5 69.3 28.4 41.5 7 435 A R H >X S+ 0 0 66 -4,-1.0 4,-2.1 2,-0.2 3,-1.3 0.959 111.6 49.8 -72.1 -72.6 72.6 30.2 41.1 8 436 A E H 3X S+ 0 0 23 -4,-1.7 4,-1.5 1,-0.3 -2,-0.2 0.752 114.7 46.5 -33.9 -43.9 73.7 28.2 38.0 9 437 A E H 3X S+ 0 0 26 -4,-3.2 4,-1.9 2,-0.2 -1,-0.3 0.856 107.5 55.1 -74.6 -38.2 70.4 28.9 36.4 10 438 A F H << S+ 0 0 6 -3,-1.3 154,-0.3 -4,-1.0 3,-0.3 0.940 108.5 52.1 -54.4 -45.2 70.4 32.5 37.2 11 439 A D H < S+ 0 0 13 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.910 121.4 28.1 -59.6 -45.4 73.8 32.7 35.5 12 440 A I H < S+ 0 0 0 -4,-1.5 224,-3.6 -5,-0.2 2,-0.5 0.404 108.3 72.5-107.4 0.9 72.6 31.0 32.2 13 441 A L E < +A 235 0A 10 -4,-1.9 151,-0.7 -3,-0.3 2,-0.4 -0.872 57.4 159.2-117.0 103.4 68.9 32.0 32.0 14 442 A R E -Ab 234 164A 19 220,-0.8 220,-0.7 -2,-0.5 2,-0.3 -0.920 42.4-106.9-125.8 145.8 68.2 35.6 31.2 15 443 A Y E -Ab 233 165A 0 149,-3.0 151,-2.7 -2,-0.4 2,-0.7 -0.536 19.5-159.1 -73.1 131.3 65.1 37.3 29.7 16 444 A S > + 0 0 5 216,-3.2 3,-1.3 -2,-0.3 4,-0.4 -0.699 17.3 177.7-107.6 79.1 65.4 38.5 26.1 17 445 A T T 3 + 0 0 8 -2,-0.7 -1,-0.1 1,-0.3 215,-0.1 0.367 62.0 65.7 -69.6 0.6 62.7 41.0 26.2 18 446 A L T 3 S+ 0 0 98 1,-0.2 -1,-0.3 214,-0.1 214,-0.0 0.367 85.4 65.0-116.2 3.1 63.0 42.4 22.6 19 447 A N S < S+ 0 0 42 -3,-1.3 2,-0.3 212,-0.0 -1,-0.2 0.647 97.1 74.7 -86.5 -25.6 61.9 39.4 20.5 20 448 A T + 0 0 9 -4,-0.4 208,-0.0 1,-0.1 0, 0.0 -0.608 52.7 176.6 -82.1 144.6 58.5 39.8 22.2 21 449 A N + 0 0 128 -2,-0.3 -1,-0.1 0, 0.0 -3,-0.1 -0.066 63.4 81.9-138.0 34.2 56.3 42.6 21.2 22 450 A A + 0 0 40 206,-0.0 -2,-0.0 0, 0.0 206,-0.0 0.859 47.6 177.0 -94.7 -69.6 53.3 41.7 23.4 23 451 A Y + 0 0 45 1,-0.1 -6,-0.0 -6,-0.0 5,-0.0 0.686 38.3 132.9 63.4 20.6 54.1 43.1 26.9 24 452 A D S S+ 0 0 129 1,-0.2 -1,-0.1 3,-0.0 0, 0.0 0.792 81.8 23.3 -70.1 -31.6 50.6 41.8 27.7 25 453 A Y S S+ 0 0 125 2,-0.1 24,-2.3 3,-0.0 2,-0.3 0.259 101.2 115.0-119.0 8.3 51.8 40.1 30.9 26 454 A F B S-C 48 0A 11 22,-0.2 2,-0.4 1,-0.1 22,-0.2 -0.605 75.6-108.8 -79.2 137.2 54.9 42.4 31.3 27 455 A G - 0 0 17 20,-3.3 -1,-0.1 -2,-0.3 -2,-0.1 -0.530 25.4-168.2 -65.0 119.8 55.1 44.7 34.3 28 456 A K + 0 0 83 -2,-0.4 62,-1.1 61,-0.1 63,-0.8 0.812 69.5 80.2 -72.5 -33.6 54.6 48.2 33.0 29 457 A T E -d 91 0A 30 60,-0.2 2,-0.5 61,-0.2 18,-0.5 -0.534 68.2-154.7 -82.0 138.2 55.8 49.4 36.4 30 458 A L E -d 92 0A 0 61,-1.9 63,-1.8 -2,-0.2 2,-0.4 -0.961 7.8-153.7-113.3 120.7 59.5 49.6 37.4 31 459 A Y E -dE 93 45A 34 14,-2.9 14,-2.9 -2,-0.5 2,-0.4 -0.757 11.7-170.8 -94.6 133.8 60.4 49.4 41.1 32 460 A V E -dE 94 44A 3 61,-2.7 63,-3.2 -2,-0.4 2,-0.3 -0.982 5.3-178.8-126.7 133.4 63.7 51.0 42.3 33 461 A Y E -dE 95 43A 0 10,-1.7 10,-2.1 -2,-0.4 2,-0.3 -0.957 3.0-171.2-124.4 150.5 65.4 50.7 45.7 34 462 A L E -dE 96 42A 4 61,-1.4 63,-2.4 -2,-0.3 8,-0.2 -0.978 12.8-158.4-141.9 137.8 68.6 52.3 47.2 35 463 A D E - E 0 41A 16 6,-1.9 6,-1.9 -2,-0.3 2,-0.1 -0.934 22.1-152.7-100.8 116.9 70.6 51.8 50.4 36 464 A P 0 0 29 0, 0.0 63,-0.1 0, 0.0 62,-0.0 -0.401 360.0 360.0 -82.8 174.1 72.8 54.8 51.2 37 465 A A 0 0 96 -2,-0.1 3,-0.1 3,-0.0 63,-0.0 -0.599 360.0 360.0 -78.8 360.0 76.1 54.7 53.2 38 ! 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 39 474 A G 0 0 34 0, 0.0 2,-0.3 0, 0.0 22,-0.2 0.000 360.0 360.0 360.0 125.5 78.9 51.3 50.0 40 475 A T E - F 0 60A 6 20,-1.8 20,-1.7 -3,-0.1 2,-0.3 -0.804 360.0-165.1-106.1 148.0 75.7 52.5 48.3 41 476 A G E -EF 35 59A 0 -6,-1.9 -6,-1.9 -2,-0.3 2,-0.3 -0.993 8.1-172.4-141.9 136.0 73.5 50.1 46.2 42 477 A V E -EF 34 58A 5 16,-2.6 16,-2.3 -2,-0.3 2,-0.4 -0.979 1.6-171.4-132.7 140.4 70.6 50.5 43.7 43 478 A A E -EF 33 57A 0 -10,-2.1 -10,-1.7 -2,-0.3 2,-0.5 -0.971 10.5-162.2-138.3 125.1 68.2 48.0 42.0 44 479 A A E +EF 32 56A 0 12,-2.6 11,-2.5 -2,-0.4 12,-1.9 -0.909 27.0 173.7-101.3 128.1 65.7 48.5 39.2 45 480 A V E +EF 31 54A 0 -14,-2.9 -14,-2.9 -2,-0.5 2,-0.3 -0.980 11.6 178.2-141.4 142.7 63.3 45.6 39.2 46 481 A G E - F 0 53A 0 7,-2.8 7,-2.9 -2,-0.3 2,-0.4 -0.830 24.8-105.4-137.4 178.8 60.1 44.6 37.3 47 482 A A E - F 0 52A 27 -18,-0.5 -20,-3.3 -2,-0.3 2,-0.5 -0.875 15.5-172.4-113.3 140.0 57.6 41.8 37.0 48 483 A Y E > S-CF 26 51A 0 3,-2.7 3,-3.1 -2,-0.4 -22,-0.2 -0.987 71.3 -52.7-120.6 121.4 56.9 39.2 34.4 49 484 A R T 3 S- 0 0 40 -24,-2.3 -1,-0.0 -2,-0.5 -22,-0.0 -0.227 121.4 -23.6 43.2-131.7 53.7 37.3 35.1 50 485 A H T 3 S+ 0 0 180 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.341 129.8 77.5 -88.2 12.5 54.0 36.1 38.7 51 486 A Q E < S-F 48 0A 36 -3,-3.1 -3,-2.7 109,-0.0 2,-0.3 -0.624 72.9-121.0-118.1 174.3 57.9 36.3 38.6 52 487 A F E -Fg 47 162A 17 109,-3.0 111,-1.7 -5,-0.3 2,-0.3 -0.756 13.9-161.8-121.8 155.4 60.4 39.0 38.8 53 488 A L E -Fg 46 163A 0 -7,-2.9 -7,-2.8 -2,-0.3 2,-0.6 -0.989 17.9-134.1-131.1 151.7 63.2 40.5 36.7 54 489 A I E +Fg 45 164A 1 109,-2.2 111,-1.7 -2,-0.3 -9,-0.3 -0.890 24.3 173.4 -97.0 123.3 66.2 42.7 37.4 55 490 A Y E + 0 0 1 -11,-2.5 114,-2.0 -2,-0.6 2,-0.3 0.790 63.3 13.9 -95.2 -35.7 66.5 45.4 34.9 56 491 A G E -Fg 44 169A 0 -12,-1.9 -12,-2.6 112,-0.2 2,-0.3 -0.992 56.2-170.2-150.0 152.6 69.3 47.5 36.4 57 492 A L E +F 43 0A 3 112,-2.1 2,-0.3 -2,-0.3 115,-0.3 -0.992 6.0 175.1-149.7 130.0 72.0 47.3 39.1 58 493 A E E +F 42 0A 5 -16,-2.3 -16,-2.6 -2,-0.3 2,-0.5 -0.985 13.1 179.9-143.0 128.7 74.5 49.8 40.7 59 494 A H E -F 41 0A 11 -2,-0.3 2,-0.4 -18,-0.2 -18,-0.2 -0.928 24.6-172.9-123.8 107.5 77.1 49.7 43.5 60 495 A F E -F 40 0A 70 -20,-1.7 -20,-1.8 -2,-0.5 2,-0.4 -0.837 13.0-161.5-113.1 135.5 78.7 53.1 43.9 61 496 A F 0 0 124 -2,-0.4 -2,-0.0 -22,-0.2 0, 0.0 -0.941 360.0 360.0-115.9 137.5 81.6 54.2 46.0 62 497 A L 0 0 129 -2,-0.4 -1,-0.1 0, 0.0 5,-0.0 0.299 360.0 360.0-123.7 360.0 82.4 57.9 46.9 63 ! 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 64 501 A S 0 0 164 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.8 85.2 65.6 46.3 65 502 A E + 0 0 165 1,-0.1 5,-0.1 2,-0.0 0, 0.0 0.192 360.0 84.4 -92.7-154.8 81.9 67.0 47.8 66 503 A S > + 0 0 74 3,-0.1 4,-1.6 2,-0.1 3,-0.4 0.943 53.0 179.0 52.4 58.5 78.2 67.2 46.9 67 504 A S H > S+ 0 0 83 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.833 72.1 44.5 -59.4 -44.2 77.7 63.8 48.5 68 505 A E H > S+ 0 0 47 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.743 107.2 59.3 -75.1 -28.1 73.9 63.5 47.9 69 506 A V H > S+ 0 0 60 -3,-0.4 4,-3.1 2,-0.2 5,-0.2 0.908 105.4 47.6 -70.1 -43.3 74.0 64.7 44.2 70 507 A A H X S+ 0 0 32 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.950 110.3 53.0 -59.4 -50.9 76.4 62.0 43.0 71 508 A I H X S+ 0 0 22 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.924 116.9 38.2 -50.6 -50.0 74.3 59.3 44.8 72 509 A A H X S+ 0 0 1 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.933 112.1 55.4 -72.3 -45.6 71.1 60.5 43.0 73 510 A E H X S+ 0 0 99 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.844 108.8 49.7 -56.1 -39.0 72.6 61.4 39.6 74 511 A C H X S+ 0 0 25 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.903 110.2 49.5 -63.9 -45.6 74.0 57.8 39.4 75 512 A A H X S+ 0 0 0 -4,-1.5 4,-1.6 -5,-0.3 -2,-0.2 0.928 111.4 50.1 -59.7 -47.7 70.6 56.2 40.2 76 513 A A H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.828 103.6 57.1 -59.6 -43.3 68.8 58.4 37.7 77 514 A H H X S+ 0 0 100 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.920 106.6 50.9 -59.3 -44.5 71.2 57.6 34.8 78 515 A M H X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.928 109.9 50.6 -54.8 -50.7 70.5 53.9 35.2 79 516 A I H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 5,-0.3 0.889 108.5 47.7 -59.3 -49.6 66.7 54.5 35.1 80 517 A I H X S+ 0 0 39 -4,-2.2 4,-1.8 1,-0.3 -1,-0.2 0.875 111.7 52.6 -66.6 -33.3 66.5 56.6 32.0 81 518 A S H X S+ 0 0 19 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.3 0.885 112.0 47.7 -61.3 -36.2 68.7 54.0 30.2 82 519 A V H X S+ 0 0 0 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.795 112.1 44.9 -81.0 -34.6 66.3 51.3 31.4 83 520 A L H < S+ 0 0 15 -4,-2.2 3,-0.4 1,-0.2 6,-0.2 0.849 106.5 61.7 -77.3 -37.0 63.0 53.0 30.4 84 521 A S H < S+ 0 0 86 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.771 108.6 43.7 -57.1 -28.5 64.5 53.9 27.1 85 522 A L H < S+ 0 0 79 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.692 117.7 43.3 -91.1 -22.0 65.0 50.2 26.3 86 523 A H >< + 0 0 5 -4,-0.8 3,-3.7 -3,-0.4 -1,-0.2 -0.589 62.1 177.3-126.2 70.0 61.6 49.0 27.6 87 524 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.741 75.1 74.2 -51.2 -25.6 58.9 51.5 26.3 88 525 A Y T 3 S+ 0 0 16 -3,-0.1 2,-0.4 2,-0.0 -5,-0.1 0.744 74.9 100.5 -57.0 -20.1 56.2 49.3 27.9 89 526 A L < + 0 0 12 -3,-3.7 -60,-0.2 -6,-0.2 -61,-0.1 -0.536 40.5 156.1 -71.7 123.4 57.4 50.8 31.2 90 527 A D + 0 0 92 -62,-1.1 33,-0.6 -2,-0.4 2,-0.3 0.324 51.0 43.7-136.0 5.2 55.0 53.6 32.2 91 528 A E E -dh 29 123A 26 -63,-0.8 -61,-1.9 31,-0.1 2,-0.4 -0.970 61.0-146.3-150.5 167.6 55.2 54.1 35.9 92 529 A L E -dh 30 124A 0 31,-0.6 33,-3.2 -2,-0.3 2,-0.7 -0.914 8.2-171.9-148.2 110.6 57.8 54.3 38.6 93 530 A R E -dh 31 125A 39 -63,-1.8 -61,-2.7 -2,-0.4 2,-0.5 -0.859 17.2-176.9-111.3 106.8 57.9 53.2 42.2 94 531 A I E -dh 32 126A 2 31,-2.8 33,-1.6 -2,-0.7 2,-0.5 -0.890 11.5-169.4-112.5 127.1 61.0 54.3 44.0 95 532 A A E -d 33 0A 0 -63,-3.2 -61,-1.4 -2,-0.5 2,-0.6 -0.963 3.8-166.2-114.4 126.1 62.0 53.6 47.6 96 533 A V E -d 34 0A 1 -2,-0.5 44,-2.3 31,-0.2 -61,-0.1 -0.944 18.0-137.5-112.4 109.0 64.9 55.5 49.2 97 534 A E B +k 140 0B 19 -63,-2.4 44,-0.2 -2,-0.6 2,-0.2 -0.333 25.3 176.8 -61.1 146.7 66.2 53.9 52.5 98 535 A G + 0 0 4 42,-1.4 4,-0.1 2,-0.1 -63,-0.0 -0.597 25.3 131.7-155.4 93.7 66.9 56.5 55.2 99 536 A N S S+ 0 0 65 -2,-0.2 3,-0.2 2,-0.1 42,-0.0 0.716 75.8 45.9-116.2 -30.2 68.0 55.3 58.6 100 537 A T S S+ 0 0 131 1,-0.3 2,-0.6 2,-0.1 -2,-0.1 0.909 133.5 5.2 -66.9 -89.2 71.1 57.4 59.4 101 538 A N > - 0 0 74 1,-0.2 4,-0.6 2,-0.0 -1,-0.3 -0.851 62.6-171.3 -98.1 121.4 69.7 60.8 58.3 102 539 A Q H > S+ 0 0 73 -2,-0.6 4,-1.3 -3,-0.2 3,-0.2 0.870 86.2 56.8 -74.9 -37.5 66.1 60.8 57.3 103 540 A A H > S+ 0 0 56 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.913 105.3 49.4 -59.8 -47.8 66.2 64.4 56.0 104 541 A A H > S+ 0 0 15 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.732 104.8 61.2 -63.2 -26.3 69.1 63.7 53.5 105 542 A A H X S+ 0 0 3 -4,-0.6 4,-1.8 -3,-0.2 -1,-0.3 0.896 103.0 50.4 -65.4 -37.9 67.0 60.8 52.3 106 543 A V H X S+ 0 0 28 -4,-1.3 4,-2.2 -3,-0.5 -2,-0.2 0.834 107.0 52.0 -75.2 -33.1 64.4 63.2 51.3 107 544 A R H X S+ 0 0 123 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.935 109.2 50.5 -64.3 -47.9 66.7 65.5 49.4 108 545 A I H X S+ 0 0 7 -4,-1.8 4,-1.8 2,-0.2 5,-0.2 0.888 108.6 55.4 -56.1 -39.0 68.0 62.5 47.4 109 546 A A H >X S+ 0 0 2 -4,-1.8 4,-1.8 1,-0.2 3,-0.6 0.987 109.6 42.9 -55.4 -62.3 64.4 61.6 46.7 110 547 A C H 3X S+ 0 0 47 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.738 111.6 56.5 -57.8 -27.1 63.5 65.0 45.2 111 548 A L H 3X S+ 0 0 50 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.871 107.0 47.0 -74.5 -39.2 66.8 65.0 43.2 112 549 A I H X S+ 0 0 1 -4,-1.7 3,-1.8 -3,-0.5 4,-1.7 0.979 113.1 51.1 -76.6 -61.2 64.1 61.8 35.4 117 554 A Q H 3< S+ 0 0 98 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.661 110.1 53.8 -55.5 -21.8 61.3 64.3 34.6 118 555 A S H 3< S+ 0 0 108 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.842 117.5 37.1 -71.7 -35.7 63.9 66.5 32.9 119 556 A S H << S+ 0 0 76 -3,-1.8 2,-0.3 -4,-0.6 -2,-0.2 0.554 128.9 3.3 -99.7 -12.8 64.9 63.6 30.8 120 557 A T < - 0 0 53 -4,-1.7 2,-0.8 2,-0.1 -1,-0.2 -0.941 69.5-107.3-175.0 149.0 61.7 61.8 30.1 121 558 A L + 0 0 172 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 -0.724 58.4 129.1 -94.1 106.0 57.9 62.0 30.6 122 559 A I - 0 0 25 -2,-0.8 -31,-0.1 -30,-0.0 -2,-0.1 -0.970 60.2 -98.8-162.4 137.7 56.6 59.5 33.2 123 560 A R E -h 91 0A 137 -33,-0.6 -31,-0.6 -2,-0.3 2,-0.4 -0.297 42.5-170.1 -52.2 127.6 54.5 58.9 36.4 124 561 A V E -h 92 0A 8 -33,-0.2 95,-0.7 -2,-0.1 2,-0.3 -0.954 8.1-179.4-136.3 115.0 56.9 58.7 39.4 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0.847 86.1 51.7 -40.5 -54.2 54.3 10.2 14.4 368 584 B A H > S+ 0 0 20 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.893 112.3 43.7 -50.9 -55.4 51.1 10.6 16.4 369 585 B L H > S+ 0 0 8 -3,-0.4 4,-0.8 -4,-0.4 -1,-0.2 0.887 111.9 55.6 -54.8 -45.6 52.8 9.9 19.8 370 586 B A H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.884 112.9 40.1 -56.8 -42.9 55.7 12.1 18.8 371 587 B V H X S+ 0 0 4 -4,-2.2 4,-2.5 -5,-0.2 5,-0.3 0.954 114.6 50.5 -73.2 -51.3 53.4 15.1 18.1 372 588 B E H X S+ 0 0 11 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.643 113.0 51.7 -62.3 -10.9 51.1 14.5 21.1 373 589 B Q H X S+ 0 0 11 -4,-0.8 4,-3.0 -5,-0.2 -2,-0.2 0.904 110.1 43.4 -92.0 -49.9 54.3 14.3 23.1 374 590 B F H X S+ 0 0 4 -4,-2.1 4,-4.3 2,-0.2 5,-0.3 0.962 109.8 57.0 -57.3 -58.5 56.0 17.5 22.0 375 591 B I H X S+ 0 0 8 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.905 115.3 39.2 -34.3 -55.8 52.8 19.5 22.3 376 592 B S H X S+ 0 0 26 -4,-0.6 4,-1.5 -5,-0.3 -2,-0.2 0.899 117.1 47.2 -69.9 -47.2 52.6 18.4 25.9 377 593 B R H < S+ 0 0 51 -4,-3.0 5,-0.4 2,-0.2 6,-0.4 0.815 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-152,-2.1 2,-0.6 1,-0.3 -151,-0.1 0.946 109.7 48.1 -65.0 -43.8 71.2 32.0 22.6 388 604 B E E 3 S+ 0 0 22 -153,-0.4 2,-0.3 -3,-0.1 -1,-0.3 -0.198 78.6 156.1 -96.1 43.2 73.9 30.7 20.3 389 605 B L E < - 0 0 6 -3,-0.9 2,-0.3 -2,-0.6 -111,-0.2 -0.593 37.6-131.9 -78.1 131.2 71.8 28.5 18.2 390 606 B V E +r 278 0E 13 -113,-2.4 -111,-1.7 -2,-0.3 2,-0.1 -0.665 37.4 153.9 -88.9 130.6 73.3 27.9 14.7 391 607 B S > + 0 0 3 -2,-0.3 4,-2.2 -113,-0.2 5,-0.3 -0.535 15.3 177.3-158.1 92.6 71.4 28.3 11.5 392 608 B Y T 4 S+ 0 0 122 1,-0.2 4,-0.1 -97,-0.2 -112,-0.1 0.661 87.9 43.9 -71.1 -16.3 73.1 29.2 8.2 393 609 B T T 4 S+ 0 0 45 -114,-0.4 -1,-0.2 -98,-0.1 3,-0.1 0.885 125.3 26.6 -91.8 -46.4 69.8 29.0 6.2 394 610 B I T >> S+ 0 0 8 -115,-0.4 4,-2.2 1,-0.1 3,-1.8 0.801 103.5 74.6 -86.4 -31.8 67.4 30.8 8.5 395 611 B K T 3< S+ 0 0 104 -4,-2.2 -1,-0.1 1,-0.3 -3,-0.1 0.761 90.9 56.2 -63.6 -27.5 69.6 33.3 10.5 396 612 B L T 34 S+ 0 0 168 -5,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.442 121.2 26.8 -82.9 3.9 70.2 35.8 7.7 397 613 B S T <4 S+ 0 0 101 -3,-1.8 2,-0.3 1,-0.4 -2,-0.2 0.605 127.1 5.5-132.7 -38.8 66.4 36.4 7.0 398 614 B H S < S- 0 0 98 -4,-2.2 -1,-0.4 4,-0.0 3,-0.1 -0.828 82.2 -87.3-138.5 175.0 64.5 35.7 10.2 399 615 B D > - 0 0 40 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 -0.864 40.0-133.2 -83.9 117.1 65.1 34.8 13.9 400 616 B P H > S+ 0 0 4 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.887 104.3 48.1 -35.9 -47.5 65.3 31.1 13.9 401 617 B I H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.939 111.1 45.2 -69.7 -49.6 63.0 31.0 16.8 402 618 B E H > S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.933 114.2 53.3 -56.0 -43.8 60.2 33.3 15.6 403 619 B Y H X S+ 0 0 44 -4,-2.8 4,-0.7 1,-0.2 3,-0.3 0.925 108.4 49.3 -53.2 -51.1 60.5 31.4 12.3 404 620 B L H >X S+ 0 0 1 -4,-2.6 4,-2.2 -5,-0.3 3,-1.2 0.887 106.1 56.6 -55.5 -44.7 60.0 28.2 14.2 405 621 B L H 3X S+ 0 0 12 -4,-2.4 4,-3.6 1,-0.3 5,-0.2 0.864 95.7 63.1 -58.8 -39.8 56.9 29.5 16.0 406 622 B E H 3< S+ 0 0 99 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.845 112.0 40.4 -53.0 -28.3 55.2 30.4 12.8 407 623 B Q H << S+ 0 0 17 -3,-1.2 4,-0.4 -4,-0.7 3,-0.3 0.796 113.5 49.2 -95.1 -37.1 55.3 26.6 12.2 408 624 B I H >< S+ 0 0 2 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.910 103.9 62.3 -59.2 -46.6 54.5 25.5 15.7 409 625 B Q T 3< S+ 0 0 117 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.756 105.2 52.0 -45.2 -25.0 51.6 27.9 15.6 410 626 B N T 3 S+ 0 0 89 -3,-0.3 -1,-0.3 -5,-0.2 -2,-0.2 0.576 79.5 123.3-100.9 -14.6 50.5 25.6 12.8 411 627 B L < - 0 0 20 -3,-1.8 2,-0.3 -4,-0.4 -189,-0.1 -0.050 35.2-175.0 -42.9 145.7 50.6 22.2 14.4 412 628 B H - 0 0 147 1,-0.1 -2,-0.0 -191,-0.0 -41,-0.0 -0.974 27.9-122.6-151.7 151.0 47.5 19.9 14.5 413 629 B R 0 0 87 -2,-0.3 -41,-0.2 1,-0.1 -42,-0.1 0.805 360.0 360.0 -71.3 -45.1 46.9 16.6 16.1 414 630 B V 0 0 157 0, 0.0 -1,-0.1 0, 0.0 -46,-0.0 -0.485 360.0 360.0 122.0 360.0 45.8 14.1 13.3 415 ! 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 0.0 416 646 B N 0 0 184 0, 0.0 2,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -57.3 46.9 22.8 2.4 417 647 B R + 0 0 223 1,-0.1 2,-0.2 2,-0.1 0, 0.0 -0.703 360.0 129.2 -92.4 92.2 50.0 25.0 1.9 418 648 B I - 0 0 86 -2,-1.1 2,-0.1 -8,-0.0 -1,-0.1 -0.666 49.9-144.4-148.5 84.1 52.1 24.9 5.1 419 649 B S + 0 0 55 -2,-0.2 3,-0.1 1,-0.2 -2,-0.1 -0.353 28.6 168.3 -48.8 118.1 55.7 24.0 4.9 420 650 B D > + 0 0 61 -159,-0.1 4,-2.3 2,-0.1 5,-0.2 0.241 37.8 110.1-119.8 5.8 56.0 22.0 8.2 421 651 B D H > S+ 0 0 5 1,-0.2 4,-1.7 2,-0.2 -166,-0.3 0.766 74.2 52.4 -60.7 -33.9 59.5 20.6 7.7 422 652 B L H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.975 113.5 42.5 -67.4 -50.6 61.4 22.6 10.3 423 653 B I H > S+ 0 0 5 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.878 111.8 53.0 -67.2 -41.3 59.0 21.7 13.1 424 654 B I H X S+ 0 0 23 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.959 108.2 52.2 -59.1 -47.3 58.6 18.0 12.2 425 655 B A H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.2 -160,-0.2 0.870 112.3 46.7 -54.7 -38.3 62.4 17.8 12.3 426 656 B V H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 5,-0.2 0.985 109.7 51.2 -67.1 -60.6 62.4 19.3 15.8 427 657 B I H >X S+ 0 0 4 -4,-3.0 4,-1.0 1,-0.2 3,-0.5 0.878 115.2 44.1 -38.9 -51.3 59.6 17.1 17.1 428 658 B M H >X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.3 3,-1.1 0.944 106.7 55.8 -70.0 -47.9 61.5 14.0 15.9 429 659 B A H 3< S+ 0 0 3 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.711 113.2 46.9 -57.8 -18.1 64.9 14.9 17.0 430 660 B T H << S+ 0 0 4 -4,-1.4 3,-0.3 -3,-0.5 -1,-0.3 0.705 108.7 52.2 -92.2 -22.1 63.4 15.3 20.5 431 661 B Y H X< S+ 0 0 17 -3,-1.1 3,-1.0 -4,-1.0 -2,-0.2 0.898 102.9 56.9 -84.3 -37.2 61.4 12.1 20.5 432 662 B L T 3< S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.2 5,-0.1 0.442 81.7 86.0 -76.4 -5.9 64.3 9.7 19.7 433 663 B C T 3 + 0 0 24 -3,-0.3 -1,-0.2 -5,-0.2 -2,-0.1 0.602 69.2 107.3 -69.3 -15.1 66.5 10.7 22.6 434 664 B D S < S- 0 0 37 -3,-1.0 3,-0.4 1,-0.1 4,-0.2 -0.023 85.3-112.6 -58.2 166.5 64.8 8.2 24.9 435 665 B D S > S+ 0 0 121 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.765 110.4 75.3 -63.4 -30.2 66.2 5.0 26.1 436 666 B I T 3 S+ 0 0 39 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.884 108.5 29.9 -55.5 -38.0 63.6 3.1 24.0 437 667 B H T >> S+ 0 0 19 -3,-0.4 3,-1.9 1,-0.2 4,-0.6 0.330 85.6 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