==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (MOLECULAR CHAPERONE/PEPTIDE) 03-JUN-96 1DKX . COMPND 2 MOLECULE: SUBSTRATE BINDING DOMAIN OF DNAK; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR X.ZHU,X.ZHAO,W.F.BURKHOLDER,A.GRAGEROV,C.M.OGATA,M.E.GOTTESM . 226 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12809.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 21.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 17 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 34.5 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+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 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 0 1 1 2 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 . 1 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 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 1 389 A V 0 0 182 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -25.1 66.3 121.3 46.5 2 390 A L + 0 0 183 1,-0.1 2,-0.3 2,-0.1 0, 0.0 0.675 360.0 23.9 -95.3 -23.2 65.5 124.0 43.8 3 391 A L - 0 0 79 2,-0.0 2,-0.2 1,-0.0 -1,-0.1 -0.865 67.0-160.5-133.3 163.8 65.5 121.3 41.2 4 392 A L - 0 0 124 -2,-0.3 2,-0.7 -3,-0.1 -2,-0.1 -0.636 22.2-133.2 172.6 105.0 64.8 117.3 41.2 5 393 A D + 0 0 108 -2,-0.2 25,-2.1 22,-0.0 2,-0.3 -0.729 42.1 170.9 -45.6 102.9 66.0 115.1 38.4 6 394 A V B -A 29 0A 50 -2,-0.7 23,-0.2 23,-0.2 3,-0.1 -0.884 41.6 -95.0-133.0 163.3 62.8 112.9 37.7 7 395 A T - 0 0 11 21,-2.0 20,-3.0 -2,-0.3 21,-0.2 -0.717 27.6-157.7 -81.0 122.9 61.7 110.4 35.1 8 396 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.833 75.4 24.1 -70.7 -30.7 59.7 112.3 32.5 9 397 A L S S- 0 0 0 17,-0.1 19,-0.2 16,-0.1 47,-0.1 -0.884 93.1 -88.8-131.7 163.6 57.9 109.1 31.3 10 398 A S - 0 0 10 45,-0.3 45,-2.3 -2,-0.3 2,-0.4 -0.361 36.7-149.9 -70.8 146.9 57.1 105.7 32.7 11 399 A L E +BC 24 54B 11 13,-3.1 13,-2.7 43,-0.2 12,-2.6 -0.986 36.5 116.0-121.2 133.6 59.7 102.9 32.2 12 400 A G E -BC 22 53B 0 41,-2.2 41,-3.4 -2,-0.4 2,-0.3 -0.888 48.6 -91.7-167.7-161.3 58.7 99.2 31.9 13 401 A I E -BC 21 52B 0 8,-2.3 8,-2.9 -2,-0.2 2,-0.4 -0.871 35.9 -97.9-134.2 163.4 58.6 96.1 29.8 14 402 A E E -B 20 0B 62 37,-1.4 37,-0.3 -2,-0.3 211,-0.2 -0.718 41.6-173.6 -84.8 129.3 56.3 94.3 27.4 15 403 A T E >> -B 19 0B 2 4,-2.7 3,-2.1 -2,-0.4 4,-1.2 -0.657 41.4 -52.9-115.5 172.6 54.2 91.5 28.8 16 404 A M T 34 S+ 0 0 30 207,-3.0 -1,-0.1 1,-0.3 207,-0.1 -0.177 125.2 33.4 -49.6 123.5 51.9 88.9 27.4 17 405 A G T 34 S- 0 0 23 1,-0.1 -1,-0.3 131,-0.1 3,-0.1 0.204 123.9 -87.3 110.2 -9.3 49.2 90.5 25.2 18 406 A G T <4 S+ 0 0 18 -3,-2.1 42,-2.5 1,-0.3 43,-0.4 0.827 85.4 143.8 76.3 33.5 51.6 93.2 24.0 19 407 A V E < -BD 15 59B 4 -4,-1.2 -4,-2.7 40,-0.2 2,-0.4 -0.771 52.3-118.7-105.5 147.1 50.7 95.4 27.0 20 408 A M E -B 14 0B 11 38,-2.6 2,-0.5 -2,-0.3 -6,-0.2 -0.759 22.3-160.0 -88.7 131.1 53.3 97.6 28.7 21 409 A T E -B 13 0B 21 -8,-2.9 -8,-2.3 -2,-0.4 2,-0.4 -0.970 17.1-134.7-112.1 121.5 53.9 96.8 32.4 22 410 A T E +B 12 0B 52 -2,-0.5 -10,-0.3 -10,-0.2 3,-0.2 -0.659 30.5 170.1 -83.0 129.7 55.5 99.7 34.3 23 411 A L E S+ 0 0 12 -12,-2.6 2,-0.5 -2,-0.4 -11,-0.2 0.759 80.1 31.7-100.8 -41.2 58.4 99.1 36.6 24 412 A I E S-B 11 0B 0 -13,-2.7 -13,-3.1 10,-0.1 -1,-0.3 -0.981 87.0-137.6-120.6 117.4 59.3 102.8 37.3 25 413 A A > - 0 0 54 -2,-0.5 3,-0.7 -15,-0.2 -18,-0.2 -0.236 32.6 -80.7 -71.2 161.0 56.3 105.3 37.2 26 414 A K T 3 S+ 0 0 78 1,-0.2 -1,-0.1 -18,-0.1 -16,-0.1 -0.275 112.2 18.2 -60.5 140.8 56.3 108.7 35.5 27 415 A N T 3 S+ 0 0 99 -20,-3.0 2,-0.4 1,-0.2 -1,-0.2 0.852 81.4 156.3 65.5 39.3 57.9 111.5 37.6 28 416 A T < - 0 0 28 -3,-0.7 -21,-2.0 -19,-0.2 2,-0.3 -0.778 42.5-122.5 -94.4 139.6 59.9 109.3 39.9 29 417 A T B -A 6 0A 77 -2,-0.4 -23,-0.2 -23,-0.2 -1,-0.0 -0.646 41.9 -93.5 -84.2 137.7 62.9 111.0 41.5 30 418 A I S S+ 0 0 36 -25,-2.1 2,-0.2 -2,-0.3 61,-0.1 -0.698 95.6 55.6-103.7 157.7 66.3 109.3 40.9 31 419 A P S S+ 0 0 91 0, 0.0 2,-0.3 0, 0.0 60,-0.2 0.533 79.5 149.3 -62.7 158.8 68.3 107.4 42.0 32 420 A T E -F 90 0C 22 58,-2.1 58,-3.0 -2,-0.2 2,-0.4 -0.948 29.6-165.2-165.2 144.4 65.6 104.6 42.2 33 421 A K E +F 89 0C 143 -2,-0.3 2,-0.3 56,-0.2 56,-0.2 -0.988 12.6 172.1-140.9 123.2 65.5 100.8 42.0 34 422 A H E -F 88 0C 81 54,-2.7 54,-2.9 -2,-0.4 2,-0.3 -0.976 7.0-169.9-132.3 149.7 62.3 98.7 41.5 35 423 A S E +F 87 0C 57 -2,-0.3 2,-0.3 52,-0.2 52,-0.2 -0.921 7.5 178.8-135.2 161.4 61.8 95.0 40.8 36 424 A Q E -F 86 0C 80 50,-1.8 50,-3.0 -2,-0.3 2,-0.5 -0.959 26.3-125.3-158.4 146.2 58.9 92.6 39.9 37 425 A V E +F 85 0C 59 -2,-0.3 185,-0.5 48,-0.2 48,-0.2 -0.869 30.7 175.8-102.5 127.9 58.9 88.9 39.3 38 426 A F E -F 84 0C 3 46,-3.0 46,-2.8 -2,-0.5 2,-0.2 -0.675 10.4-154.0-116.3 179.4 57.4 87.6 36.0 39 427 A S E -i 223 0D 9 183,-1.9 185,-2.3 -2,-0.2 2,-0.2 -0.784 29.5 -71.1-143.3-173.5 57.2 84.1 34.5 40 428 A T E -i 224 0D 1 -2,-0.2 40,-0.9 183,-0.2 185,-0.2 -0.517 22.7-148.7 -87.3 153.1 56.9 82.3 31.1 41 429 A A S S+ 0 0 0 183,-1.6 2,-0.3 -2,-0.2 38,-0.1 0.678 79.4 48.2 -93.2 -19.7 53.9 82.3 28.8 42 430 A E S > S- 0 0 119 182,-0.3 3,-1.5 36,-0.1 38,-0.2 -0.932 89.2-101.7-126.1 148.5 54.4 78.8 27.4 43 431 A D T 3 S+ 0 0 68 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.337 108.9 12.0 -63.2 143.6 55.1 75.3 28.8 44 432 A N T 3 S+ 0 0 111 33,-2.8 2,-0.3 1,-0.2 -1,-0.3 0.725 86.0 169.9 59.5 25.5 58.8 74.3 28.5 45 433 A Q < - 0 0 11 -3,-1.5 -1,-0.2 32,-0.4 -5,-0.1 -0.543 17.7-168.8 -69.4 126.9 59.7 77.9 27.5 46 434 A S + 0 0 74 -2,-0.3 28,-2.6 -3,-0.1 27,-0.5 0.591 63.3 20.4 -94.7 -13.4 63.5 78.1 27.5 47 435 A A E - E 0 72B 11 25,-0.2 2,-0.3 26,-0.2 25,-0.2 -0.979 59.1-148.1-151.8 157.9 64.0 81.9 27.3 48 436 A V E - E 0 71B 0 23,-2.2 23,-2.3 -2,-0.3 2,-0.5 -0.942 17.0-135.4-126.8 147.5 62.2 85.2 27.8 49 437 A T E - E 0 70B 19 176,-2.4 2,-0.7 -2,-0.3 176,-0.3 -0.927 11.3-153.4-105.2 127.6 62.6 88.4 25.9 50 438 A I E - E 0 69B 0 19,-3.5 19,-1.7 -2,-0.5 2,-0.7 -0.930 11.4-172.0-103.8 109.4 62.9 91.6 27.9 51 439 A H E - E 0 68B 32 -2,-0.7 -37,-1.4 -37,-0.3 2,-0.4 -0.938 14.2-147.2-105.9 107.9 61.7 94.5 25.8 52 440 A V E -CE 13 67B 0 15,-2.5 14,-3.0 -2,-0.7 15,-0.9 -0.629 19.6-170.4 -79.2 131.9 62.4 97.8 27.6 53 441 A L E -CE 12 65B 1 -41,-3.4 -41,-2.2 -2,-0.4 2,-0.4 -0.910 19.9-161.7-128.1 150.5 59.8 100.6 27.0 54 442 A Q E +CE 11 64B 17 10,-2.3 10,-3.0 -2,-0.3 2,-0.3 -0.998 51.4 68.7-129.0 123.8 59.5 104.3 27.7 55 443 A G S S- 0 0 0 -45,-2.3 -45,-0.3 -2,-0.4 8,-0.1 -0.914 74.3-101.8 156.7-178.1 56.0 105.9 27.6 56 444 A E S S+ 0 0 31 -2,-0.3 2,-0.1 6,-0.2 -1,-0.1 0.243 76.1 111.2-121.2 6.8 52.5 106.2 29.0 57 445 A R - 0 0 23 2,-0.1 -37,-0.1 1,-0.1 6,-0.1 -0.427 61.6-142.4 -83.9 158.2 50.6 104.0 26.5 58 446 A K S S+ 0 0 73 -2,-0.1 -38,-2.6 -39,-0.1 2,-0.5 0.833 86.6 76.1 -85.8 -35.6 49.0 100.7 27.4 59 447 A R B > S-D 19 0B 110 -40,-0.2 3,-1.8 1,-0.2 -40,-0.2 -0.642 77.4-145.7 -78.9 121.0 50.0 99.1 24.0 60 448 A A G > S+ 0 0 1 -42,-2.5 3,-1.9 -2,-0.5 -1,-0.2 0.884 98.5 58.0 -53.7 -42.0 53.7 98.3 24.1 61 449 A A G 3 S+ 0 0 87 -43,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.639 98.3 62.3 -63.7 -17.9 54.1 99.0 20.4 62 450 A D G < S+ 0 0 63 -3,-1.8 -1,-0.3 2,-0.1 2,-0.2 0.342 96.8 73.9 -88.3 0.6 52.8 102.6 21.1 63 451 A N S < S- 0 0 16 -3,-1.9 2,-0.5 -4,-0.2 -8,-0.2 -0.635 95.1 -87.9-109.8 171.3 55.7 103.3 23.4 64 452 A K E -E 54 0B 78 -10,-3.0 -10,-2.3 -2,-0.2 2,-0.4 -0.692 37.7-135.5 -83.6 122.3 59.4 104.1 22.8 65 453 A S E -E 53 0B 56 -2,-0.5 -12,-0.2 -12,-0.2 53,-0.2 -0.633 20.9-177.6 -78.4 128.1 61.5 101.0 22.6 66 454 A L E - 0 0 28 -14,-3.0 2,-0.2 1,-0.5 -13,-0.2 0.523 59.3 -71.9-100.6 -10.5 64.8 101.4 24.6 67 455 A G E -E 52 0B 21 -15,-0.9 -15,-2.5 46,-0.1 -1,-0.5 -0.800 43.2-122.8 142.5 175.9 66.1 98.0 23.6 68 456 A Q E +E 51 0B 123 -17,-0.2 2,-0.3 -2,-0.2 -17,-0.2 -0.982 19.4 174.8-152.3 155.9 65.7 94.3 24.2 69 457 A F E -E 50 0B 23 -19,-1.7 -19,-3.5 -2,-0.3 2,-0.3 -0.954 23.6-122.2-155.8 162.8 67.7 91.3 25.4 70 458 A N E -E 49 0B 76 -2,-0.3 2,-0.5 -21,-0.2 -21,-0.2 -0.815 4.4-155.4-114.1 150.8 67.0 87.6 26.2 71 459 A L E +E 48 0B 0 -23,-2.3 -23,-2.2 -2,-0.3 2,-0.2 -0.998 29.2 174.4-120.1 115.8 67.5 85.5 29.3 72 460 A D E +E 47 0B 87 -2,-0.5 -25,-0.2 -25,-0.2 30,-0.1 -0.528 43.8 74.4-111.7-172.8 67.8 81.9 28.2 73 461 A G + 0 0 30 -27,-0.5 2,-0.4 1,-0.3 -26,-0.2 0.639 55.8 158.9 83.5 13.2 68.6 78.7 30.1 74 462 A I - 0 0 9 -28,-2.6 -1,-0.3 -3,-0.2 3,-0.1 -0.591 40.5-124.7 -72.5 129.0 65.2 78.4 31.7 75 463 A N - 0 0 93 -2,-0.4 -31,-0.1 1,-0.1 -30,-0.1 -0.371 37.2 -79.4 -74.9 150.9 64.7 74.8 32.8 76 464 A P S S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -33,-0.1 -0.275 70.5 141.2 -52.2 128.9 61.6 72.8 31.6 77 465 A A - 0 0 32 -3,-0.1 -33,-2.8 -32,-0.0 -32,-0.4 -0.975 57.9 -82.8-164.7 159.6 58.6 73.7 33.6 78 466 A P > - 0 0 63 0, 0.0 3,-1.2 0, 0.0 -38,-0.2 -0.423 66.7 -87.5 -65.3 155.8 54.9 74.3 33.2 79 467 A R T 3 S+ 0 0 34 1,-0.2 -38,-0.2 2,-0.1 -36,-0.1 -0.322 113.1 27.7 -64.0 149.0 54.2 77.9 32.0 80 468 A G T 3 S+ 0 0 27 -40,-0.9 -1,-0.2 -38,-0.2 -39,-0.1 0.541 99.6 90.1 79.8 3.9 53.9 80.5 34.8 81 469 A M < + 0 0 132 -3,-1.2 -2,-0.1 2,-0.0 -1,-0.1 0.809 59.7 90.4 -99.3 -40.9 56.1 78.6 37.2 82 470 A P S S- 0 0 17 0, 0.0 2,-0.7 0, 0.0 -42,-0.2 -0.214 72.1-134.6 -56.8 146.3 59.6 79.9 36.4 83 471 A Q + 0 0 108 -44,-0.1 20,-3.4 -46,-0.0 2,-0.7 -0.876 25.6 176.7-109.9 102.8 60.7 83.0 38.5 84 472 A I E -FG 38 102C 0 -46,-2.8 -46,-3.0 -2,-0.7 2,-0.6 -0.907 15.3-156.9-106.7 103.3 62.2 85.7 36.4 85 473 A E E -FG 37 101C 57 16,-3.0 16,-2.5 -2,-0.7 2,-0.5 -0.773 6.9-162.5 -85.1 119.6 63.0 88.7 38.5 86 474 A V E -FG 36 100C 0 -50,-3.0 -50,-1.8 -2,-0.6 2,-0.4 -0.920 5.9-168.9-105.2 125.3 63.2 91.9 36.5 87 475 A T E -FG 35 99C 19 12,-2.6 12,-2.0 -2,-0.5 2,-0.5 -0.970 11.4-165.1-121.0 128.2 65.0 94.9 38.1 88 476 A F E +FG 34 98C 0 -54,-2.9 -54,-2.7 -2,-0.4 2,-0.4 -0.950 16.5 177.7-107.1 124.5 65.0 98.5 36.8 89 477 A D E -FG 33 97C 45 8,-1.8 8,-3.0 -2,-0.5 2,-0.6 -0.961 13.3-170.4-135.7 116.1 67.7 100.6 38.5 90 478 A I E -FG 32 96C 8 -58,-3.0 -58,-2.1 -2,-0.4 6,-0.2 -0.942 18.9-154.2-107.8 115.4 68.4 104.3 37.6 91 479 A D > - 0 0 38 4,-2.1 3,-2.3 -2,-0.6 -61,-0.0 -0.151 37.1 -84.3 -80.5-179.5 71.6 105.5 39.3 92 480 A A T 3 S+ 0 0 82 1,-0.3 -62,-0.1 2,-0.1 -1,-0.1 0.782 128.7 56.9 -54.9 -29.2 72.7 109.0 40.3 93 481 A D T 3 S- 0 0 123 2,-0.1 -1,-0.3 1,-0.0 22,-0.2 0.411 117.4-111.5 -84.5 -0.2 74.0 109.5 36.7 94 482 A G < + 0 0 18 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.707 69.0 145.9 78.3 15.2 70.6 108.8 35.2 95 483 A I - 0 0 50 19,-0.1 -4,-2.1 20,-0.1 2,-0.5 -0.777 42.2-140.5 -88.3 130.3 71.8 105.5 33.7 96 484 A L E -GH 90 113C 9 17,-2.3 17,-2.8 -2,-0.4 2,-0.6 -0.830 13.9-166.9 -95.4 124.0 69.1 102.8 33.6 97 485 A H E -GH 89 112C 43 -8,-3.0 -8,-1.8 -2,-0.5 2,-0.5 -0.957 4.1-169.9-111.3 114.9 70.3 99.2 34.4 98 486 A V E +GH 88 111C 0 13,-2.9 13,-2.5 -2,-0.6 2,-0.3 -0.954 8.5 179.1-109.2 125.8 67.7 96.5 33.5 99 487 A S E -GH 87 110C 15 -12,-2.0 -12,-2.6 -2,-0.5 2,-0.4 -0.952 16.6-161.6-126.4 145.2 68.4 93.0 34.7 100 488 A A E -GH 86 109C 0 9,-2.3 9,-2.0 -2,-0.3 2,-0.4 -0.999 14.5-172.5-126.2 123.3 66.5 89.7 34.4 101 489 A K E -GH 85 108C 78 -16,-2.5 -16,-3.0 -2,-0.4 2,-0.6 -0.980 21.9-140.4-125.6 127.0 67.3 86.9 36.8 102 490 A D E > -G 84 0C 2 5,-2.7 4,-2.7 -2,-0.4 5,-0.3 -0.750 15.0-153.9 -80.1 118.3 66.1 83.3 36.7 103 491 A K T 4 S+ 0 0 95 -20,-3.4 -1,-0.1 -2,-0.6 -19,-0.1 0.668 89.1 53.8 -71.1 -16.6 65.6 82.5 40.4 104 492 A N T 4 S+ 0 0 113 -21,-0.3 -1,-0.2 3,-0.1 -30,-0.0 0.957 125.2 20.0 -79.3 -55.9 66.1 78.7 39.9 105 493 A S T 4 S- 0 0 58 2,-0.1 -2,-0.2 -32,-0.1 3,-0.1 0.741 93.2-131.3 -86.5 -26.2 69.5 78.9 38.2 106 494 A G < + 0 0 44 -4,-2.7 -3,-0.1 1,-0.3 2,-0.1 0.545 54.1 153.1 83.3 5.8 70.5 82.3 39.3 107 495 A K - 0 0 79 -5,-0.3 -5,-2.7 -34,-0.1 2,-0.3 -0.469 22.8-170.4 -69.3 142.8 71.4 83.0 35.6 108 496 A E E -H 101 0C 78 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.992 18.9-171.1-145.5 140.9 71.2 86.7 34.8 109 497 A Q E -H 100 0C 98 -9,-2.0 -9,-2.3 -2,-0.3 2,-0.3 -0.984 14.3-166.9-129.4 143.8 71.2 89.0 31.7 110 498 A K E -H 99 0C 114 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.911 15.5-162.5-133.4 155.7 71.4 92.8 31.7 111 499 A I E -H 98 0C 34 -13,-2.5 -13,-2.9 -2,-0.3 2,-0.5 -0.993 13.9-152.9-135.3 131.8 71.0 95.8 29.4 112 500 A T E -H 97 0C 84 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.947 7.9-162.6-109.1 133.3 72.4 99.2 30.2 113 501 A I E -H 96 0C 13 -17,-2.8 -17,-2.3 -2,-0.5 -46,-0.1 -0.971 19.2-123.7-121.8 118.1 70.7 102.4 28.7 114 502 A K > - 0 0 138 -2,-0.5 3,-2.3 -19,-0.2 -19,-0.1 -0.271 23.3-115.8 -56.8 149.4 72.4 105.8 28.7 115 503 A A T 3 S+ 0 0 66 1,-0.3 -1,-0.1 -22,-0.2 -20,-0.1 0.688 116.3 56.1 -59.9 -20.1 70.7 108.8 30.3 116 504 A S T 3 S+ 0 0 94 2,-0.0 -1,-0.3 4,-0.0 -2,-0.1 0.494 86.7 101.6 -91.1 -7.4 70.5 110.4 26.9 117 505 A S < + 0 0 50 -3,-2.3 2,-0.3 3,-0.0 -51,-0.1 -0.358 64.1 36.1 -75.7 158.7 68.6 107.5 25.3 118 506 A G S S- 0 0 22 -53,-0.2 2,-0.3 -2,-0.1 -53,-0.1 -0.710 101.2 -10.8 107.5-152.4 64.8 107.6 24.8 119 507 A L - 0 0 26 -2,-0.3 2,-0.1 -55,-0.1 -110,-0.1 -0.708 62.1-130.7 -92.3 139.8 62.5 110.4 23.8 120 508 A N > - 0 0 87 -2,-0.3 4,-3.0 1,-0.1 3,-0.4 -0.342 40.5 -85.4 -81.5 167.8 63.6 114.0 23.7 121 509 A E H > S+ 0 0 153 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.745 129.9 46.7 -44.1 -35.4 61.6 116.9 25.3 122 510 A D H > S+ 0 0 114 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.921 113.3 47.7 -74.6 -45.7 59.3 117.4 22.3 123 511 A E H > S+ 0 0 78 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.896 110.4 53.5 -60.9 -38.1 58.7 113.6 21.9 124 512 A I H X S+ 0 0 29 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.934 109.9 48.4 -62.2 -42.7 58.0 113.5 25.7 125 513 A Q H X S+ 0 0 102 -4,-1.6 4,-1.8 -5,-0.3 -2,-0.2 0.937 111.7 47.5 -62.0 -51.0 55.4 116.3 25.1 126 514 A K H X S+ 0 0 104 -4,-2.9 4,-3.2 1,-0.2 -1,-0.2 0.907 111.7 53.7 -57.2 -41.3 53.8 114.5 22.2 127 515 A M H X S+ 0 0 18 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.920 106.9 47.5 -60.2 -52.6 53.7 111.3 24.3 128 516 A V H X S+ 0 0 62 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.862 116.0 48.3 -59.3 -31.8 51.9 112.8 27.3 129 517 A R H X S+ 0 0 133 -4,-1.8 4,-3.0 -5,-0.2 -2,-0.2 0.953 109.1 50.5 -71.4 -52.4 49.5 114.3 24.8 130 518 A D H X S+ 0 0 50 -4,-3.2 4,-1.4 1,-0.2 -2,-0.2 0.868 109.2 53.2 -52.8 -42.0 48.9 111.1 22.8 131 519 A A H < S+ 0 0 17 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.916 112.6 41.7 -62.5 -47.0 48.2 109.2 26.1 132 520 A E H >< S+ 0 0 168 -4,-1.5 3,-1.2 1,-0.2 4,-0.3 0.905 113.5 54.6 -67.8 -39.2 45.5 111.7 27.3 133 521 A A H 3< S+ 0 0 67 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.759 119.6 33.7 -63.5 -26.9 44.1 111.8 23.8 134 522 A N T 3X S+ 0 0 52 -4,-1.4 4,-2.5 -5,-0.2 -1,-0.2 0.093 75.1 120.9-120.3 27.3 43.8 108.0 23.8 135 523 A A H <> S+ 0 0 57 -3,-1.2 4,-1.4 1,-0.2 -1,-0.1 0.872 81.7 47.3 -57.2 -37.1 43.0 107.2 27.4 136 524 A E H > S+ 0 0 149 -4,-0.3 4,-2.2 2,-0.2 3,-0.4 0.969 110.8 48.3 -70.1 -53.8 39.7 105.6 26.2 137 525 A A H > S+ 0 0 55 1,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.878 113.2 50.2 -55.2 -38.1 41.2 103.5 23.4 138 526 A D H X S+ 0 0 14 -4,-2.5 4,-2.5 2,-0.2 -1,-0.3 0.825 106.4 54.1 -70.6 -32.5 43.9 102.3 25.8 139 527 A R H X S+ 0 0 136 -4,-1.4 4,-2.1 -3,-0.4 -1,-0.2 0.888 109.4 49.4 -66.8 -39.0 41.3 101.4 28.4 140 528 A K H X S+ 0 0 134 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.950 111.5 46.7 -64.3 -48.3 39.7 99.2 25.8 141 529 A F H X S+ 0 0 18 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.911 110.0 57.2 -58.4 -41.1 42.9 97.6 24.8 142 530 A D H X S+ 0 0 64 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.914 109.8 42.2 -57.4 -47.0 43.6 97.1 28.5 143 531 A E H X S+ 0 0 64 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.849 111.1 55.5 -72.8 -32.6 40.3 95.1 29.0 144 532 A L H X S+ 0 0 26 -4,-2.3 4,-3.2 2,-0.2 -2,-0.2 0.946 109.2 47.2 -63.1 -48.6 40.7 93.1 25.8 145 533 A V H X S+ 0 0 1 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.906 109.6 53.0 -59.6 -44.1 44.1 91.9 26.9 146 534 A Q H X S+ 0 0 101 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.902 113.5 45.3 -57.9 -40.1 42.7 91.0 30.4 147 535 A T H X S+ 0 0 6 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.924 112.8 48.6 -68.5 -48.7 40.0 89.0 28.5 148 536 A R H X S+ 0 0 59 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.947 112.8 49.2 -56.5 -49.9 42.5 87.3 26.2 149 537 A N H X S+ 0 0 26 -4,-3.3 4,-1.8 1,-0.2 -1,-0.2 0.868 111.8 48.0 -59.9 -38.1 44.7 86.4 29.1 150 538 A Q H X S+ 0 0 85 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.897 112.5 48.9 -70.0 -40.4 41.8 85.0 31.1 151 539 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.860 109.7 52.7 -67.8 -33.6 40.6 83.0 28.1 152 540 A D H X S+ 0 0 41 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.879 109.0 48.9 -69.6 -36.5 44.2 81.7 27.6 153 541 A H H X S+ 0 0 108 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.898 112.5 49.3 -67.4 -39.8 44.4 80.5 31.2 154 542 A L H X S+ 0 0 50 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.914 112.4 46.8 -65.4 -45.9 41.0 78.8 30.8 155 543 A L H X S+ 0 0 10 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.944 116.9 43.5 -60.9 -51.2 42.1 77.1 27.6 156 544 A H H X S+ 0 0 38 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.927 117.2 45.1 -61.5 -50.0 45.4 76.0 29.1 157 545 A S H X S+ 0 0 29 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.932 111.2 52.0 -60.2 -51.0 44.0 74.8 32.4 158 546 A T H X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.923 107.5 52.8 -55.6 -45.9 41.0 73.0 31.0 159 547 A R H X S+ 0 0 89 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.912 110.9 46.7 -58.4 -42.3 43.3 71.0 28.6 160 548 A K H X S+ 0 0 67 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.913 112.3 50.6 -64.9 -43.7 45.5 69.9 31.5 161 549 A Q H X S+ 0 0 50 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.860 106.8 53.6 -63.6 -36.8 42.4 69.0 33.6 162 550 A V H X S+ 0 0 10 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.939 111.9 46.3 -63.8 -44.4 40.9 66.9 30.7 163 551 A E H < S+ 0 0 149 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.968 112.9 47.8 -60.8 -54.4 44.2 65.0 30.6 164 552 A E H < S+ 0 0 134 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.806 114.3 50.5 -56.6 -32.1 44.4 64.5 34.3 165 553 A A H >< S+ 0 0 8 -4,-2.0 3,-2.0 -5,-0.2 -1,-0.2 0.924 75.5 148.7 -73.7 -49.6 40.8 63.4 34.3 166 554 A G G >< S+ 0 0 42 -4,-2.7 3,-2.1 1,-0.3 -1,-0.1 -0.205 74.7 9.5 53.4-127.9 41.0 60.8 31.5 167 555 A D G 3 S+ 0 0 173 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.697 118.4 73.5 -53.7 -28.4 38.4 58.0 32.1 168 556 A K G < S+ 0 0 128 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.801 82.8 83.6 -60.0 -27.4 36.7 59.9 34.9 169 557 A L S < S- 0 0 11 -3,-2.1 -1,-0.0 -7,-0.2 41,-0.0 -0.687 85.2-121.9 -86.6 122.2 35.2 62.2 32.3 170 558 A P > - 0 0 51 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.193 21.1-119.5 -56.4 146.0 31.9 61.1 30.6 171 559 A A H > S+ 0 0 77 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.867 112.5 51.9 -57.5 -41.7 32.1 60.9 26.7 172 560 A D H > S+ 0 0 136 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.935 111.9 46.2 -60.8 -47.7 29.3 63.5 26.3 173 561 A D H > S+ 0 0 51 1,-0.2 4,-2.9 2,-0.2 3,-0.3 0.954 110.9 50.5 -62.2 -49.7 31.0 66.0 28.5 174 562 A K H X S+ 0 0 81 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.871 109.6 53.0 -58.6 -36.4 34.5 65.5 27.0 175 563 A T H X S+ 0 0 92 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.2 0.884 111.9 43.6 -66.3 -40.4 32.9 66.0 23.5 176 564 A A H X S+ 0 0 34 -4,-1.8 4,-2.2 -3,-0.3 3,-0.3 0.952 115.8 49.1 -68.6 -48.3 31.2 69.3 24.5 177 565 A I H X S+ 0 0 0 -4,-2.9 4,-2.1 29,-0.3 -2,-0.2 0.901 110.6 48.7 -57.1 -47.8 34.4 70.5 26.3 178 566 A E H X S+ 0 0 84 -4,-2.7 4,-1.3 -5,-0.3 -1,-0.2 0.796 111.0 50.3 -69.0 -24.5 36.7 69.8 23.5 179 567 A S H X S+ 0 0 70 -4,-1.2 4,-1.9 -3,-0.3 -1,-0.2 0.886 111.7 49.2 -76.8 -37.5 34.5 71.5 21.0 180 568 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.818 108.4 52.9 -69.4 -33.7 34.4 74.6 23.3 181 569 A L H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.859 108.4 50.6 -70.2 -37.3 38.2 74.6 23.6 182 570 A T H X S+ 0 0 84 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.939 112.9 45.5 -64.8 -46.6 38.6 74.6 19.9 183 571 A A H X S+ 0 0 24 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.922 113.5 50.0 -61.2 -47.4 36.2 77.5 19.5 184 572 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.924 109.8 50.8 -58.9 -44.3 37.9 79.4 22.4 185 573 A E H X S+ 0 0 64 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.863 111.0 48.3 -63.0 -36.6 41.3 78.9 20.9 186 574 A T H >< S+ 0 0 87 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.917 110.9 52.3 -68.8 -40.2 40.1 80.2 17.5 187 575 A A H >< S+ 0 0 14 -4,-2.6 3,-2.5 1,-0.3 5,-0.3 0.905 100.7 59.3 -63.1 -42.8 38.5 83.2 19.3 188 576 A L H 3< S+ 0 0 25 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.749 95.0 66.7 -59.7 -22.1 41.7 84.1 21.1 189 577 A K T << S+ 0 0 150 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.463 100.0 66.1 -75.9 -5.0 43.3 84.5 17.7 190 578 A G S < S- 0 0 25 -3,-2.5 -3,-0.0 2,-0.1 0, 0.0 -0.292 81.9-124.2-104.7-165.9 41.1 87.5 17.1 191 579 A E S S+ 0 0 134 -2,-0.1 2,-0.9 -43,-0.0 -3,-0.1 0.332 71.6 112.8-121.7 2.4 40.5 91.0 18.4 192 580 A D > - 0 0 98 -5,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.677 45.0-169.3 -86.9 105.7 36.8 90.6 19.4 193 581 A K H > S+ 0 0 53 -2,-0.9 4,-2.3 1,-0.2 5,-0.2 0.869 86.6 53.2 -58.8 -42.7 36.4 90.8 23.2 194 582 A A H > S+ 0 0 66 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.888 106.7 52.1 -62.2 -41.5 32.8 89.7 23.0 195 583 A A H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 110.3 48.2 -63.1 -44.5 33.6 86.6 20.9 196 584 A I H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.918 112.5 48.5 -62.2 -44.7 36.3 85.5 23.4 197 585 A E H X S+ 0 0 98 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.819 108.2 55.7 -65.4 -30.1 33.9 86.0 26.4 198 586 A A H X S+ 0 0 50 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.926 109.5 45.6 -67.2 -43.6 31.2 84.1 24.5 199 587 A K H X S+ 0 0 68 -4,-2.1 4,-2.2 1,-0.2 -15,-0.2 0.813 111.3 51.9 -69.6 -33.0 33.5 81.0 24.1 200 588 A M H X S+ 0 0 34 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.867 109.7 50.3 -68.4 -39.8 34.6 81.2 27.7 201 589 A Q H X S+ 0 0 122 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.901 109.5 51.2 -63.6 -43.9 31.0 81.2 28.8 202 590 A E H X S+ 0 0 69 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.947 111.1 47.3 -58.5 -52.4 30.3 78.2 26.6 203 591 A L H >X S+ 0 0 2 -4,-2.2 4,-1.7 1,-0.2 3,-0.6 0.936 111.5 51.2 -54.9 -48.2 33.2 76.3 28.2 204 592 A A H 3< S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.857 108.9 52.4 -58.4 -38.7 32.0 77.3 31.7 205 593 A Q H 3< S+ 0 0 129 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.763 118.6 34.0 -70.3 -28.4 28.5 76.0 30.9 206 594 A V H << S+ 0 0 46 -4,-1.5 3,-0.4 -3,-0.6 -29,-0.3 0.517 105.7 69.2-106.2 -5.0 29.7 72.6 29.7 207 595 A S X + 0 0 4 -4,-1.7 4,-2.6 -5,-0.2 5,-0.2 0.309 60.8 110.0 -96.5 9.5 32.7 72.0 32.0 208 596 A Q H > S+ 0 0 161 1,-0.2 4,-1.3 -4,-0.2 -1,-0.2 0.813 81.4 46.1 -56.5 -33.0 30.8 71.6 35.3 209 597 A K H > S+ 0 0 68 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.941 112.2 50.0 -75.9 -44.6 31.5 67.8 35.5 210 598 A L H > S+ 0 0 0 -4,-0.2 4,-3.0 1,-0.2 5,-0.3 0.887 108.0 55.6 -56.5 -42.8 35.2 68.3 34.7 211 599 A M H X S+ 0 0 81 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.883 107.6 47.9 -59.5 -41.7 35.4 71.0 37.4 212 600 A E H X S+ 0 0 110 -4,-1.3 4,-3.0 -5,-0.2 5,-0.2 0.943 114.1 46.6 -65.5 -46.1 34.0 68.6 40.0 213 601 A I H X S+ 0 0 14 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.987 113.4 47.3 -58.9 -60.3 36.5 65.9 39.0 214 602 A A H X S+ 0 0 22 -4,-3.0 4,-0.9 1,-0.2 -1,-0.2 0.858 114.5 48.8 -49.1 -41.8 39.5 68.2 38.9 215 603 A Q H >< S+ 0 0 124 -4,-2.1 3,-0.8 -5,-0.3 -1,-0.2 0.943 113.9 44.3 -65.8 -48.0 38.4 69.6 42.3 216 604 A Q H >< S+ 0 0 56 -4,-3.0 3,-2.5 1,-0.2 -2,-0.2 0.915 103.9 66.7 -63.8 -38.6 38.0 66.2 43.8 217 605 A Q H 3< S+ 0 0 58 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.757 112.9 30.7 -53.7 -33.3 41.3 65.0 42.3 218 606 A H T << 0 0 97 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 -0.061 360.0 360.0-118.0 31.7 43.3 67.4 44.4 219 607 A A < 0 0 100 -3,-2.5 -2,-0.2 -5,-0.0 -1,-0.1 0.137 360.0 360.0-143.5 360.0 40.9 67.4 47.4 220 !* 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 0.0 221 1 B N 0 0 198 0, 0.0 2,-0.4 0, 0.0 -183,-0.1 0.000 360.0 360.0 360.0 106.2 51.4 86.8 37.9 222 2 B R - 0 0 82 -185,-0.5 -183,-1.9 -142,-0.0 2,-0.3 -0.932 360.0-147.0-114.8 135.6 52.6 88.4 34.7 223 3 B L E -i 39 0D 18 -2,-0.4 -207,-3.0 -185,-0.2 2,-0.3 -0.730 5.5-154.4-109.5 154.5 54.1 86.4 31.8 224 4 B L E -i 40 0D 0 -185,-2.3 -183,-1.6 -2,-0.3 -182,-0.3 -0.859 15.1-130.8-120.8 153.3 56.7 87.1 29.1 225 5 B L - 0 0 81 -2,-0.3 -176,-2.4 -176,-0.3 2,-0.6 -0.578 22.3-110.4-100.8 165.1 57.1 85.5 25.6 226 6 B T 0 0 73 -178,-0.2 -178,-0.1 -2,-0.2 -156,-0.1 -0.890 360.0 360.0 -96.5 113.1 60.3 84.1 23.9 227 7 B G 0 0 107 -2,-0.6 -157,-0.0 0, 0.0 -1,-0.0 0.011 360.0 360.0-106.1 360.0 61.3 86.6 20.8