==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-MAR-05 1Z0B . COMPND 2 MOLECULE: PUTATIVE PROTEASE LA HOMOLOG TYPE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR I.BOTOS,E.E.MELNIKOV,S.CHERRY,S.KOZLOV,O.V.MAKHOVSKAYA,J.E . 203 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9715.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 15.8 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 . 2 1.0 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 . 15 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 1 0 1 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 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 PARALLEL BRIDGES PER LADDER . 3 3 0 0 0 0 1 1 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 2 0 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 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 1 416 A Y 0 0 237 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.4 10.3 32.8 15.9 2 417 A K - 0 0 147 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.983 360.0-151.4-134.7 145.1 7.3 32.4 13.6 3 418 A L S S+ 0 0 62 -2,-0.3 2,-0.3 24,-0.1 -1,-0.1 0.548 80.2 65.6 -94.1 -6.8 6.3 29.8 11.0 4 419 A F S S- 0 0 37 11,-0.0 2,-0.4 24,-0.0 -2,-0.1 -0.817 73.0-136.0-111.0 154.0 4.1 32.1 9.0 5 420 A I - 0 0 55 -2,-0.3 3,-0.1 1,-0.1 10,-0.1 -0.876 12.7-162.6-101.5 139.9 5.0 35.3 7.0 6 421 A T + 0 0 55 -2,-0.4 139,-0.3 1,-0.2 2,-0.3 0.576 66.3 26.9-104.2 -11.9 2.6 38.1 7.5 7 422 A E S S+ 0 0 144 105,-0.1 -1,-0.2 137,-0.1 2,-0.1 -0.986 89.0 43.9-149.4 155.6 3.3 40.4 4.6 8 423 A G S S- 0 0 33 -2,-0.3 104,-3.4 -3,-0.1 2,-0.4 -0.344 78.5 -73.7 99.2 175.6 4.6 40.1 1.0 9 424 A Y E +A 111 0A 94 102,-0.2 2,-0.4 103,-0.1 102,-0.2 -0.949 43.5 179.2-118.4 130.0 4.0 37.7 -1.9 10 425 A E E > -A 110 0A 91 100,-2.3 100,-2.8 -2,-0.4 3,-0.9 -0.996 28.1-120.3-133.9 138.1 5.4 34.2 -2.1 11 426 A V T 3 S+ 0 0 77 -2,-0.4 93,-0.1 98,-0.3 3,-0.1 -0.578 93.9 0.8 -76.9 131.9 5.0 31.5 -4.7 12 427 A G T 3 S+ 0 0 0 96,-0.4 20,-2.7 -2,-0.3 2,-0.4 0.541 104.1 110.9 75.2 9.8 3.4 28.3 -3.5 13 428 A R E < +C 31 0B 37 -3,-0.9 2,-0.4 18,-0.2 -3,-0.3 -0.966 38.1 174.7-124.0 132.1 2.8 29.4 0.1 14 429 A V E -C 30 0B 0 16,-2.3 16,-2.6 -2,-0.4 2,-1.5 -0.999 33.2-127.7-136.6 135.8 -0.6 30.1 1.7 15 430 A N E -Cd 29 115B 0 99,-0.5 101,-1.5 -2,-0.4 2,-0.1 -0.671 39.8-179.8 -81.0 87.2 -1.6 31.0 5.2 16 431 A G E -Cd 28 116B 0 -2,-1.5 12,-2.5 12,-1.1 2,-0.4 -0.285 17.6-135.3 -74.2 172.2 -4.2 28.4 5.9 17 432 A L E +C 27 0B 3 99,-0.9 74,-0.3 10,-0.3 2,-0.3 -0.987 27.7 162.6-133.6 142.7 -6.2 28.2 9.1 18 433 A A E -C 26 0B 0 8,-2.5 8,-2.4 -2,-0.4 2,-0.4 -0.813 32.0-109.5-144.8-175.4 -7.0 25.1 11.1 19 434 A V E -CE 25 89B 12 70,-2.1 70,-3.3 -2,-0.3 2,-0.4 -0.948 16.4-156.5-122.9 141.8 -8.1 24.1 14.6 20 435 A I E > S-CE 24 88B 49 4,-3.2 4,-1.4 -2,-0.4 3,-0.5 -0.945 73.0 -10.4-113.4 145.1 -6.1 22.2 17.3 21 436 A G T 4 S- 0 0 58 66,-1.6 -2,-0.1 -2,-0.4 68,-0.1 -0.450 122.0 -46.2 61.0-140.6 -8.1 20.3 19.9 22 437 A E T 4 S+ 0 0 193 -2,-0.1 -1,-0.2 66,-0.0 65,-0.0 0.802 131.0 2.5 -91.3 -29.3 -11.8 21.1 19.6 23 438 A S T 4 S+ 0 0 68 -3,-0.5 2,-0.5 111,-0.1 -2,-0.2 0.529 87.3 112.7-141.8 -18.2 -11.7 24.9 19.3 24 439 A A E < -C 20 0B 53 -4,-1.4 -4,-3.2 1,-0.0 2,-0.1 -0.585 54.7-140.8 -77.4 122.8 -8.3 26.6 19.2 25 440 A G E -C 19 0B 19 -2,-0.5 2,-0.3 109,-0.3 -6,-0.2 -0.417 20.7-176.2 -74.3 149.5 -7.5 28.2 15.9 26 441 A I E -C 18 0B 18 -8,-2.4 -8,-2.5 -2,-0.1 2,-0.5 -0.989 31.3-118.4-139.5 151.0 -4.0 28.1 14.4 27 442 A V E -C 17 0B 10 -2,-0.3 -10,-0.3 -10,-0.2 -24,-0.1 -0.803 32.8-171.9 -80.5 126.4 -2.4 29.6 11.4 28 443 A L E -C 16 0B 10 -12,-2.5 -12,-1.1 -2,-0.5 55,-0.1 -0.849 8.3-155.4-124.4 88.6 -1.3 26.5 9.4 29 444 A P E -C 15 0B 1 0, 0.0 53,-2.9 0, 0.0 2,-0.4 -0.417 5.1-154.9 -66.6 144.8 0.9 27.6 6.4 30 445 A I E -CF 14 81B 1 -16,-2.6 -16,-2.3 51,-0.2 2,-0.4 -0.959 6.8-167.0-116.6 135.9 1.0 25.3 3.4 31 446 A I E -CF 13 80B 47 49,-2.4 49,-2.8 -2,-0.4 2,-0.4 -0.992 10.8-172.1-121.0 132.3 3.9 25.2 1.0 32 447 A A E - F 0 79B 7 -20,-2.7 2,-0.3 -2,-0.4 47,-0.2 -0.930 9.8-178.3-122.6 149.0 3.4 23.4 -2.3 33 448 A E E - F 0 78B 108 45,-2.0 45,-3.3 -2,-0.4 2,-0.4 -0.990 11.3-154.7-139.1 144.5 5.8 22.4 -5.1 34 449 A V E + F 0 77B 26 -2,-0.3 43,-0.2 43,-0.2 -2,-0.0 -0.957 18.9 172.9-117.8 140.5 5.1 20.6 -8.4 35 450 A T E - F 0 76B 44 41,-2.3 41,-2.5 -2,-0.4 2,-0.0 -0.920 40.4 -84.6-134.7 166.2 7.7 18.7 -10.2 36 451 A P E - F 0 75B 91 0, 0.0 39,-0.2 0, 0.0 38,-0.0 -0.398 38.4-124.8 -65.0 151.6 7.9 16.4 -13.3 37 452 A S 0 0 29 37,-1.4 38,-0.1 1,-0.2 40,-0.0 0.543 360.0 360.0 -81.6 -5.8 7.0 12.8 -12.4 38 453 A M 0 0 208 36,-0.2 -1,-0.2 38,-0.0 -3,-0.0 0.006 360.0 360.0 56.7 360.0 10.3 11.4 -13.8 39 ! 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 40 457 A E 0 0 189 0, 0.0 34,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 127.5 1.9 9.0 -13.5 41 458 A G - 0 0 24 32,-3.2 2,-0.3 35,-0.1 35,-0.3 -0.365 360.0-147.5 -74.0 149.8 2.2 11.8 -10.9 42 459 A R - 0 0 169 -2,-0.1 35,-2.7 32,-0.1 2,-0.7 -0.869 16.7-125.5-113.2 150.3 1.9 11.3 -7.1 43 460 A V E -g 77 0B 36 -2,-0.3 2,-0.7 33,-0.2 35,-0.2 -0.876 32.4-158.3 -85.4 118.2 0.6 13.5 -4.3 44 461 A I E +g 78 0B 42 33,-3.1 35,-2.4 -2,-0.7 2,-0.3 -0.894 34.0 129.0-107.6 108.5 3.6 13.5 -1.9 45 462 A A - 0 0 22 -2,-0.7 2,-0.3 33,-0.2 35,-0.1 -0.984 30.5-164.9-152.9 154.5 2.6 14.4 1.6 46 463 A T + 0 0 119 33,-0.4 3,-0.4 -2,-0.3 35,-0.2 -0.905 40.2 40.3-139.3 169.6 3.2 12.9 5.1 47 464 A G S > S- 0 0 37 -2,-0.3 3,-1.7 1,-0.2 4,-0.2 -0.280 100.6 -36.0 92.5-171.9 1.9 13.1 8.6 48 465 A R T 3 S+ 0 0 181 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.715 133.5 49.1 -64.3 -22.6 -1.5 13.4 10.2 49 466 A L T 3> S+ 0 0 20 -3,-0.4 4,-1.8 1,-0.2 3,-0.3 0.251 73.2 110.4-103.7 15.1 -2.9 15.7 7.5 50 467 A Q H <> S+ 0 0 62 -3,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.847 75.6 55.9 -61.4 -32.8 -1.9 13.7 4.5 51 468 A E H > S+ 0 0 107 -3,-0.3 4,-2.7 -4,-0.2 -1,-0.2 0.928 106.9 49.5 -64.4 -41.2 -5.5 12.7 3.7 52 469 A I H > S+ 0 0 23 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.862 109.8 52.4 -62.4 -36.9 -6.6 16.4 3.5 53 470 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.952 109.8 48.2 -66.6 -45.9 -3.6 17.1 1.3 54 471 A R H X S+ 0 0 76 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.920 112.3 49.6 -58.9 -45.2 -4.7 14.2 -1.1 55 472 A E H X S+ 0 0 57 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.933 114.1 44.2 -57.9 -48.8 -8.3 15.5 -1.1 56 473 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.906 115.5 47.1 -67.1 -43.1 -7.3 19.1 -1.9 57 474 A V H X S+ 0 0 3 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.918 113.5 47.7 -67.9 -42.3 -4.8 18.1 -4.5 58 475 A M H X S+ 0 0 109 -4,-2.8 4,-1.5 -5,-0.3 -2,-0.2 0.943 114.4 47.1 -64.1 -41.9 -7.2 15.7 -6.2 59 476 A N H X S+ 0 0 37 -4,-2.6 4,-1.2 -5,-0.3 3,-0.3 0.931 113.7 46.1 -67.1 -41.3 -10.0 18.3 -6.2 60 477 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.857 105.0 62.8 -71.0 -29.5 -7.9 21.1 -7.5 61 478 A S H X S+ 0 0 16 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.885 98.7 56.4 -60.0 -38.4 -6.5 18.8 -10.2 62 479 A A H X S+ 0 0 35 -4,-1.5 4,-2.4 -3,-0.3 -1,-0.2 0.942 111.9 40.3 -58.1 -48.2 -10.0 18.5 -11.6 63 480 A I H X S+ 0 0 1 -4,-1.2 4,-2.4 2,-0.2 5,-0.5 0.836 114.2 53.7 -72.6 -31.3 -10.3 22.2 -12.0 64 481 A I H X>S+ 0 0 4 -4,-2.5 4,-2.0 2,-0.2 5,-1.4 0.946 113.2 43.1 -66.4 -48.1 -6.8 22.6 -13.3 65 482 A K H X5S+ 0 0 106 -4,-2.9 4,-0.6 4,-0.2 -2,-0.2 0.948 119.0 43.3 -60.4 -49.1 -7.3 20.0 -15.9 66 483 A K H <5S+ 0 0 139 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.919 129.0 20.9 -66.9 -45.8 -10.7 21.2 -17.0 67 484 A Y H <5S+ 0 0 36 -4,-2.4 -3,-0.2 -5,-0.2 -1,-0.2 0.676 133.1 29.1-105.0 -22.0 -10.1 24.9 -17.1 68 485 A T H <5S- 0 0 16 -4,-2.0 -3,-0.2 -5,-0.5 -2,-0.1 0.589 85.8-137.7-115.0 -18.8 -6.3 25.6 -17.4 69 486 A G << + 0 0 60 -5,-1.4 2,-0.3 -4,-0.6 -4,-0.2 0.602 44.5 154.3 70.1 13.6 -5.2 22.5 -19.3 70 487 A R - 0 0 88 -6,-0.8 2,-2.4 1,-0.1 3,-0.2 -0.591 51.5-125.7 -70.6 135.4 -2.0 21.9 -17.2 71 488 A D > + 0 0 93 -2,-0.3 3,-2.0 1,-0.2 -1,-0.1 -0.387 48.1 158.8 -80.0 63.4 -1.1 18.2 -17.3 72 489 A I G > + 0 0 5 -2,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.751 62.3 74.1 -62.7 -21.1 -1.1 18.0 -13.5 73 490 A S G 3 S+ 0 0 40 1,-0.3 -32,-3.2 -3,-0.2 -1,-0.3 0.701 97.5 48.0 -62.1 -23.1 -1.6 14.2 -13.9 74 491 A N G < S+ 0 0 82 -3,-2.0 -37,-1.4 -34,-0.2 2,-0.4 0.025 101.4 83.9-107.5 24.5 2.1 14.0 -15.0 75 492 A M E < S-F 36 0B 39 -3,-1.8 2,-0.4 -39,-0.2 -34,-0.1 -0.942 74.1-129.7-120.4 149.1 3.4 16.0 -12.2 76 493 A D E -F 35 0B 21 -41,-2.5 -41,-2.3 -2,-0.4 2,-0.6 -0.793 23.3-152.8 -85.7 141.1 4.3 15.2 -8.6 77 494 A V E -Fg 34 43B 3 -35,-2.7 -33,-3.1 -2,-0.4 2,-0.5 -0.965 5.7-160.3-122.4 114.4 2.6 17.5 -6.2 78 495 A H E -Fg 33 44B 71 -45,-3.3 -45,-2.0 -2,-0.6 2,-0.5 -0.868 4.9-167.0 -98.4 124.7 4.4 18.0 -2.9 79 496 A I E -F 32 0B 11 -35,-2.4 2,-0.5 -2,-0.5 -33,-0.4 -0.957 3.9-173.5-115.7 125.1 2.4 19.4 0.1 80 497 A Q E -F 31 0B 112 -49,-2.8 -49,-2.4 -2,-0.5 2,-0.6 -0.972 13.3-153.2-118.5 128.8 4.1 20.6 3.2 81 498 A F E -F 30 0B 41 -2,-0.5 2,-0.7 -51,-0.2 -51,-0.2 -0.894 19.9-137.3 -97.2 122.7 2.4 21.7 6.4 82 499 A V S S+ 0 0 14 -53,-2.9 -79,-0.1 -2,-0.6 -2,-0.0 -0.749 76.4 23.3 -87.2 117.7 4.4 24.2 8.3 83 500 A G S S- 0 0 18 -2,-0.7 2,-0.5 -55,-0.1 -1,-0.1 0.604 78.5-127.4 93.1 107.8 4.4 23.5 12.0 84 501 A T + 0 0 128 -36,-0.0 2,-0.4 -37,-0.0 -2,-0.0 -0.746 34.1 175.0 -82.2 127.0 3.7 20.0 13.3 85 502 A Y > - 0 0 84 -2,-0.5 3,-0.8 3,-0.0 2,-0.3 -0.994 30.0-125.0-132.8 142.9 0.9 19.8 15.9 86 503 A E T 3 S+ 0 0 124 -2,-0.4 -65,-0.2 1,-0.2 -2,-0.0 -0.621 94.8 19.2 -76.6 141.1 -0.8 17.0 17.6 87 504 A G T 3 S+ 0 0 50 -2,-0.3 -66,-1.6 1,-0.2 2,-0.4 0.779 79.0 164.3 73.5 27.7 -4.6 17.0 17.2 88 505 A V E < -E 20 0B 26 -3,-0.8 2,-0.6 -68,-0.2 -68,-0.2 -0.656 23.1-159.7 -76.2 134.2 -4.9 19.3 14.3 89 506 A A E -E 19 0B 53 -70,-3.3 -70,-2.1 -2,-0.4 2,-0.2 -0.973 18.1-166.8-110.3 112.9 -8.3 19.2 12.6 90 507 A G - 0 0 26 -2,-0.6 2,-0.4 -72,-0.2 -72,-0.1 -0.510 28.7 -90.0 -96.8 167.7 -7.8 20.6 9.0 91 508 A D > - 0 0 7 -74,-0.3 3,-1.4 -2,-0.2 -1,-0.1 -0.625 46.5-111.1 -71.9 128.2 -10.3 21.7 6.4 92 509 A S T 3 S+ 0 0 67 -2,-0.4 28,-0.2 1,-0.3 3,-0.2 -0.364 103.9 0.1 -54.7 136.2 -11.5 18.8 4.2 93 510 A A T 3 S- 0 0 6 26,-0.2 27,-2.9 1,-0.2 -1,-0.3 0.887 102.3-139.8 48.3 44.7 -10.1 19.5 0.7 94 511 A S B X> -J 119 0C 6 -3,-1.4 4,-2.0 25,-0.2 3,-0.6 0.003 11.5-144.8 -46.1 124.6 -8.5 22.7 2.2 95 512 A I H 3> S+ 0 0 0 23,-2.5 4,-2.5 1,-0.2 5,-0.2 0.774 99.9 63.2 -58.8 -27.0 -8.7 25.7 -0.1 96 513 A S H 3> S+ 0 0 2 22,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.906 105.3 44.9 -65.4 -37.1 -5.3 26.8 1.3 97 514 A I H <> S+ 0 0 1 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.923 113.5 50.0 -69.3 -44.7 -3.7 23.6 -0.2 98 515 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.910 112.2 47.8 -58.1 -46.6 -5.6 24.1 -3.5 99 516 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.913 108.9 53.2 -63.3 -44.2 -4.5 27.7 -3.8 100 517 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.889 109.1 50.3 -58.6 -39.2 -0.9 26.8 -3.0 101 518 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.934 110.8 47.7 -65.4 -47.8 -0.9 24.2 -5.8 102 519 A I H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 6,-0.3 0.931 113.1 49.2 -58.3 -45.8 -2.3 26.7 -8.3 103 520 A S H X>S+ 0 0 1 -4,-2.7 4,-1.6 1,-0.2 5,-1.1 0.929 112.5 48.0 -58.9 -46.0 0.3 29.3 -7.2 104 521 A A H <5S+ 0 0 13 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.917 114.1 45.1 -61.9 -45.4 3.1 26.7 -7.5 105 522 A I H <5S+ 0 0 26 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.867 121.4 38.6 -70.2 -34.6 2.1 25.4 -11.0 106 523 A E H <5S- 0 0 23 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.589 100.7-129.2 -92.2 -13.2 1.5 29.0 -12.4 107 524 A G T <5 + 0 0 29 -4,-1.6 -3,-0.2 1,-0.2 -4,-0.1 0.789 60.7 139.4 65.7 29.7 4.5 30.7 -10.7 108 525 A I < - 0 0 3 -5,-1.1 -96,-0.4 -6,-0.3 -1,-0.2 -0.927 50.8-125.2-110.0 119.6 2.2 33.4 -9.4 109 526 A P - 0 0 19 0, 0.0 75,-2.2 0, 0.0 2,-0.4 -0.231 16.6-131.6 -68.2 153.8 2.9 34.5 -5.8 110 527 A V E -AB 10 183A 0 -100,-2.8 -100,-2.3 -97,-0.2 2,-0.5 -0.844 22.1-111.3-107.1 136.8 0.3 34.6 -3.0 111 528 A D E > -A 9 0A 19 71,-2.9 3,-1.2 -2,-0.4 -96,-0.3 -0.541 22.7-158.3 -67.7 115.9 -0.3 37.5 -0.7 112 529 A Q T 3 S+ 0 0 0 -104,-3.4 -1,-0.2 -2,-0.5 -103,-0.1 0.602 84.9 70.8 -74.1 -13.9 0.8 36.4 2.8 113 530 A S T 3 S+ 0 0 14 -105,-0.4 33,-2.1 31,-0.1 32,-1.3 0.483 87.3 77.2 -79.4 -2.9 -1.3 39.0 4.5 114 531 A V E < - h 0 146B 0 -3,-1.2 -99,-0.5 31,-0.2 33,-0.2 -0.941 62.9-169.6-115.2 113.9 -4.5 37.0 3.6 115 532 A A E -dh 15 147B 0 31,-2.6 33,-2.7 -2,-0.6 2,-0.3 -0.502 10.6-167.0 -90.3 164.0 -5.4 33.9 5.5 116 533 A M E -dh 16 148B 0 -101,-1.5 -99,-0.9 31,-0.2 2,-0.3 -0.996 17.4-176.1-153.2 154.3 -8.1 31.5 4.3 117 534 A T + 0 0 0 31,-2.0 2,-0.2 -2,-0.3 12,-0.1 -0.979 34.5 98.1-145.0 150.2 -10.2 28.6 5.4 118 535 A G - 0 0 0 -2,-0.3 -23,-2.5 -101,-0.2 2,-0.4 -0.793 61.1 -96.0 148.9 168.1 -12.8 26.6 3.3 119 536 A S E -JK 94 127C 14 8,-1.9 8,-3.3 -25,-0.2 2,-0.5 -0.955 31.0-132.3-119.7 133.3 -13.1 23.3 1.5 120 537 A L E - K 0 126C 2 -27,-2.9 6,-0.2 -2,-0.4 2,-0.2 -0.757 15.2-148.0 -86.7 123.6 -12.7 23.1 -2.3 121 538 A S > - 0 0 19 4,-2.9 3,-2.2 -2,-0.5 -28,-0.0 -0.569 28.2-114.1 -78.1 154.1 -15.4 21.2 -4.3 122 539 A V T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.645 119.7 58.8 -60.6 -13.7 -14.3 19.4 -7.4 123 540 A K T 3 S- 0 0 112 2,-0.1 -1,-0.3 -61,-0.0 80,-0.0 0.436 124.4-102.8 -92.9 -3.9 -16.5 21.9 -9.2 124 541 A G S < S+ 0 0 0 -3,-2.2 51,-2.8 1,-0.3 52,-0.3 0.481 76.6 136.3 95.6 1.9 -14.5 24.9 -7.9 125 542 A E B -L 174 0D 50 49,-0.2 -4,-2.9 50,-0.1 2,-0.6 -0.477 54.8-127.5 -76.7 154.7 -17.0 25.9 -5.2 126 543 A V E -K 120 0C 2 47,-2.5 26,-0.3 -6,-0.2 25,-0.2 -0.939 29.4-158.6-106.1 115.3 -15.9 26.9 -1.7 127 544 A L E -K 119 0C 74 -8,-3.3 -8,-1.9 -2,-0.6 26,-0.0 -0.649 23.3 -91.9 -96.8 150.8 -17.8 24.8 0.8 128 545 A P - 0 0 65 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.152 39.8-169.0 -65.6 156.1 -18.4 25.7 4.6 129 546 A V - 0 0 18 21,-0.1 3,-0.4 -12,-0.1 2,-0.2 -0.832 21.8-100.4-135.2 166.5 -16.1 24.5 7.4 130 547 A G S S+ 0 0 55 -2,-0.3 -12,-0.1 1,-0.2 23,-0.0 -0.466 91.3 30.7 -87.5 164.4 -16.2 24.4 11.2 131 548 A G > + 0 0 27 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 0.749 63.2 152.3 70.3 24.8 -14.5 26.7 13.6 132 549 A V H > S+ 0 0 4 -3,-0.4 4,-2.5 1,-0.2 5,-0.2 0.880 70.8 49.4 -59.6 -41.7 -14.5 29.9 11.5 133 550 A T H > S+ 0 0 10 23,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.936 113.2 47.6 -62.2 -45.1 -14.6 32.3 14.5 134 551 A Q H > S+ 0 0 59 2,-0.2 4,-2.0 1,-0.2 -109,-0.3 0.863 111.5 49.9 -67.0 -36.9 -11.7 30.6 16.2 135 552 A K H X S+ 0 0 3 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.927 109.8 51.4 -67.1 -41.1 -9.7 30.5 12.9 136 553 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.931 107.5 54.1 -60.3 -41.2 -10.3 34.2 12.4 137 554 A E H X S+ 0 0 44 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.925 106.6 50.3 -59.7 -44.3 -9.1 34.8 15.9 138 555 A A H X S+ 0 0 6 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.890 108.9 52.4 -60.1 -39.3 -5.9 33.0 15.2 139 556 A A H <>S+ 0 0 0 -4,-2.1 5,-2.4 2,-0.2 4,-0.3 0.914 110.0 48.9 -63.3 -41.5 -5.4 35.1 12.0 140 557 A I H ><5S+ 0 0 21 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.923 109.8 51.1 -63.2 -45.5 -5.9 38.3 14.1 141 558 A Q H 3<5S+ 0 0 142 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.786 107.6 53.7 -64.7 -28.0 -3.4 37.1 16.7 142 559 A A T 3<5S- 0 0 12 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.473 117.2-113.9 -80.1 -6.5 -0.8 36.4 13.9 143 560 A G T < 5 + 0 0 43 -3,-1.5 -3,-0.2 -4,-0.3 2,-0.2 0.779 58.8 159.3 77.9 26.8 -1.2 40.0 12.6 144 561 A L < - 0 0 4 -5,-2.4 -1,-0.2 -6,-0.1 -30,-0.1 -0.556 35.6-146.5 -83.2 151.3 -2.8 39.0 9.3 145 562 A K S S+ 0 0 130 -32,-1.3 23,-2.4 -139,-0.3 2,-0.3 0.808 72.7 19.2 -87.5 -33.7 -4.8 41.7 7.4 146 563 A K E -hi 114 168B 90 -33,-2.1 -31,-2.6 21,-0.2 2,-0.4 -0.956 56.7-157.9-138.7 155.6 -7.5 39.7 5.7 147 564 A V E -hi 115 169B 0 21,-3.0 23,-2.9 -2,-0.3 2,-0.4 -0.973 10.7-148.4-140.3 122.9 -9.2 36.3 6.0 148 565 A I E +hi 116 170B 0 -33,-2.7 -31,-2.0 -2,-0.4 21,-0.1 -0.739 25.1 172.9 -86.3 133.2 -11.2 34.5 3.3 149 566 A I E - i 0 171B 0 21,-2.3 23,-2.2 -2,-0.4 -31,-0.1 -0.934 40.7 -88.3-135.7 158.2 -14.0 32.4 4.5 150 567 A P E > - i 0 172B 0 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.475 36.1-127.0 -65.6 138.5 -16.8 30.4 2.8 151 568 A K G > S+ 0 0 87 21,-2.9 3,-1.6 1,-0.3 4,-0.3 0.819 108.8 62.7 -54.1 -33.0 -19.9 32.6 2.2 152 569 A D G 3 S+ 0 0 83 20,-0.3 -1,-0.3 -26,-0.3 3,-0.2 0.563 99.0 56.3 -75.2 -5.8 -22.0 30.0 4.0 153 570 A N G X S+ 0 0 8 -3,-2.2 3,-2.1 1,-0.1 4,-0.3 0.363 74.3 102.1-101.7 2.9 -20.0 30.6 7.2 154 571 A I G X S+ 0 0 82 -3,-1.6 3,-1.3 1,-0.3 -1,-0.1 0.888 81.2 50.9 -57.1 -36.8 -20.6 34.4 7.3 155 572 A D G 3 S+ 0 0 128 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.497 98.3 69.6 -83.1 -0.1 -23.3 33.9 10.0 156 573 A D G < S+ 0 0 79 -3,-2.1 2,-0.5 -26,-0.0 -23,-0.4 0.483 74.5 106.0 -89.2 -3.5 -20.8 31.8 12.1 157 574 A V < + 0 0 41 -3,-1.3 2,-0.3 -4,-0.3 -25,-0.0 -0.650 34.6 159.0 -83.8 122.9 -18.6 34.9 12.8 158 575 A L + 0 0 145 -2,-0.5 2,-0.3 2,-0.0 -3,-0.0 -0.760 13.3 166.6-144.6 93.2 -18.8 36.2 16.4 159 576 A L - 0 0 18 -2,-0.3 -25,-0.0 1,-0.1 -2,-0.0 -0.793 39.6-100.0-110.6 152.5 -15.8 38.2 17.4 160 577 A D >> - 0 0 88 -2,-0.3 4,-3.3 1,-0.1 3,-0.8 -0.321 37.8-110.5 -60.7 153.3 -15.2 40.6 20.4 161 578 A A T 34 S+ 0 0 77 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.858 122.2 54.8 -49.3 -40.1 -15.6 44.3 19.8 162 579 A E T 34 S+ 0 0 143 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.824 113.9 38.6 -66.4 -35.0 -11.8 44.5 20.2 163 580 A H T X4 S+ 0 0 36 -3,-0.8 3,-2.2 2,-0.1 4,-0.4 0.747 98.6 86.4 -85.3 -34.7 -11.1 41.8 17.6 164 581 A E T 3< S+ 0 0 115 -4,-3.3 4,-0.1 1,-0.3 -4,-0.0 -0.454 93.7 31.4 -60.6 141.9 -13.8 43.0 15.2 165 582 A G T 3 S+ 0 0 81 2,-0.5 -1,-0.3 -2,-0.1 -2,-0.1 0.228 97.4 90.5 93.4 -18.2 -12.2 45.6 13.2 166 583 A K S < S+ 0 0 117 -3,-2.2 2,-0.3 1,-0.1 -2,-0.2 0.615 91.9 29.3 -87.4 -11.0 -8.8 44.0 13.3 167 584 A I S S- 0 0 17 -4,-0.4 2,-0.6 -20,-0.0 -2,-0.5 -0.996 76.2-122.1-148.8 142.5 -9.2 41.9 10.2 168 585 A E E -i 146 0B 117 -23,-2.4 -21,-3.0 -2,-0.3 2,-0.5 -0.815 25.8-149.8 -85.5 120.3 -11.1 42.1 6.9 169 586 A V E -i 147 0B 33 -2,-0.6 -21,-0.2 -23,-0.2 -23,-0.0 -0.822 11.8-168.1 -93.5 125.6 -13.4 39.1 6.5 170 587 A I E -i 148 0B 16 -23,-2.9 -21,-2.3 -2,-0.5 2,-0.2 -0.930 6.6-154.6-118.3 105.3 -13.9 38.2 2.8 171 588 A P E -i 149 0B 61 0, 0.0 2,-0.3 0, 0.0 -23,-0.0 -0.608 16.4-170.1 -79.2 143.7 -16.7 35.7 2.1 172 589 A V E -i 150 0B 2 -23,-2.2 -21,-2.9 -2,-0.2 -20,-0.3 -0.942 29.2-170.4-134.7 152.5 -16.3 33.7 -1.1 173 590 A S S S+ 0 0 26 -2,-0.3 -47,-2.5 1,-0.2 2,-0.3 0.647 76.2 26.0-100.4 -31.4 -18.4 31.3 -3.2 174 591 A R B >> S-L 125 0D 28 -49,-0.3 4,-1.0 1,-0.1 3,-0.8 -0.939 77.0-108.9-143.8 158.0 -15.8 30.0 -5.7 175 592 A I H 3> S+ 0 0 0 -51,-2.8 4,-2.3 -2,-0.3 5,-0.2 0.763 110.6 63.8 -61.2 -30.3 -12.1 29.5 -6.1 176 593 A N H 3> S+ 0 0 5 -52,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.901 99.3 53.0 -72.1 -30.3 -11.7 32.3 -8.6 177 594 A E H <> S+ 0 0 46 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.859 107.9 52.9 -61.5 -37.0 -12.7 34.9 -6.0 178 595 A V H X S+ 0 0 0 -4,-1.0 4,-1.8 2,-0.2 5,-0.2 0.957 111.4 45.2 -60.3 -51.7 -10.0 33.4 -3.7 179 596 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.842 108.6 57.9 -62.8 -36.2 -7.4 33.8 -6.5 180 597 A E H < S+ 0 0 96 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.903 112.3 40.5 -58.3 -45.0 -8.7 37.3 -7.2 181 598 A H H < S+ 0 0 90 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.764 125.4 30.6 -77.8 -28.2 -7.9 38.4 -3.6 182 599 A V H < S+ 0 0 0 -4,-1.8 -71,-2.9 -5,-0.1 2,-0.2 0.719 92.4 92.7-109.0 -24.3 -4.6 36.6 -3.0 183 600 A L B < S-B 110 0A 2 -4,-2.1 -73,-0.2 -5,-0.2 2,-0.1 -0.512 83.2-104.2 -78.1 142.6 -2.7 36.3 -6.3 184 601 A E - 0 0 79 -75,-2.2 5,-0.3 -2,-0.2 -1,-0.1 -0.425 41.2-108.8 -64.0 131.0 -0.2 39.1 -7.2 185 602 A D + 0 0 120 -2,-0.1 2,-0.3 4,-0.1 3,-0.1 -0.275 69.1 92.0 -61.6 144.6 -1.6 41.5 -9.8 186 603 A G S > S- 0 0 34 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.937 86.2 -58.3 154.2-179.1 0.0 41.1 -13.2 187 604 A K H > S+ 0 0 173 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.909 127.1 51.6 -62.6 -45.5 0.1 39.5 -16.7 188 605 A K H > S+ 0 0 112 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.916 111.3 46.7 -58.2 -48.0 0.3 36.0 -15.3 189 606 A K H > S+ 0 0 7 -5,-0.3 4,-3.0 2,-0.2 5,-0.2 0.907 110.8 52.7 -59.8 -45.4 -2.7 36.6 -13.0 190 607 A N H X S+ 0 0 109 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.903 110.5 47.8 -56.6 -45.8 -4.8 38.1 -15.8 191 608 A R H X S+ 0 0 130 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.906 114.8 44.8 -64.1 -45.9 -4.1 35.2 -18.0 192 609 A L H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.888 110.9 53.0 -67.3 -39.9 -5.0 32.7 -15.3 193 610 A M H X S+ 0 0 24 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.848 104.6 57.1 -66.3 -32.9 -8.1 34.5 -14.2 194 611 A S H < S+ 0 0 68 -4,-1.8 4,-0.4 -5,-0.2 3,-0.3 0.857 106.3 49.2 -65.9 -36.5 -9.3 34.5 -17.8 195 612 A K H >< S+ 0 0 60 -4,-1.2 3,-0.7 1,-0.2 4,-0.3 0.883 110.0 51.2 -68.2 -36.8 -9.1 30.7 -17.9 196 613 A F H >X S+ 0 0 1 -4,-1.7 4,-1.5 1,-0.2 3,-1.0 0.619 86.2 86.5 -78.1 -11.6 -11.0 30.4 -14.7 197 614 A K H 3X S+ 0 0 115 -4,-0.9 4,-2.6 -3,-0.3 -1,-0.2 0.880 83.5 58.2 -54.4 -39.0 -13.8 32.7 -15.9 198 615 A E H <> S+ 0 0 91 -3,-0.7 4,-2.8 -4,-0.4 -1,-0.3 0.803 100.7 56.9 -61.9 -31.1 -15.5 29.6 -17.5 199 616 A L H <> S+ 0 0 1 -3,-1.0 4,-1.9 -4,-0.3 -1,-0.2 0.930 109.5 44.9 -62.5 -48.6 -15.7 28.0 -14.0 200 617 A E H X S+ 0 0 61 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.904 113.3 50.1 -60.2 -45.4 -17.6 31.0 -12.7 201 618 A L H >< S+ 0 0 101 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.934 113.8 45.8 -59.9 -44.9 -19.8 31.0 -15.8 202 619 A A H 3< S+ 0 0 66 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.812 114.5 48.3 -64.9 -32.8 -20.5 27.3 -15.3 203 620 A A H 3< 0 0 33 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.512 360.0 360.0 -90.1 -10.2 -21.1 27.7 -11.6 204 621 A V << 0 0 152 -4,-1.1 -4,-0.0 -3,-0.5 0, 0.0 -0.879 360.0 360.0-109.0 360.0 -23.6 30.6 -11.7