==== 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 1DKZ . 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 . 222 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 21.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 22 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 33.8 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 1 0 0 0 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 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 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 . 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 147 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.6 65.8 121.3 46.8 2 390 A L + 0 0 181 1,-0.1 2,-0.3 0, 0.0 0, 0.0 0.834 360.0 11.4 -81.1 -32.4 65.7 123.9 44.0 3 391 A L - 0 0 74 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.840 66.3-147.3-137.4 171.4 65.4 121.2 41.4 4 392 A L - 0 0 127 -2,-0.3 2,-0.7 -3,-0.1 25,-0.0 -0.994 18.4-130.2-143.8 135.1 64.8 117.4 41.2 5 393 A D + 0 0 111 -2,-0.3 25,-1.7 25,-0.3 2,-0.3 -0.805 45.0 172.2 -84.8 118.2 66.1 114.9 38.7 6 394 A V B -A 29 0A 61 -2,-0.7 23,-0.2 23,-0.2 3,-0.1 -0.923 40.8-111.5-132.6 157.8 63.0 113.0 37.6 7 395 A T - 0 0 9 21,-2.6 20,-3.0 -2,-0.3 21,-0.4 -0.767 24.4-157.4 -83.6 118.4 61.9 110.5 35.0 8 396 A P S S+ 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.853 73.4 22.0 -65.9 -35.6 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 -0.878 93.8 -85.7-130.1 164.0 57.9 109.1 31.3 10 398 A S - 0 0 9 -2,-0.3 45,-2.5 45,-0.1 2,-0.4 -0.294 36.3-151.7 -68.4 150.2 57.1 105.7 32.7 11 399 A L E +BC 24 54B 11 13,-2.8 12,-3.1 43,-0.2 13,-2.8 -0.985 36.4 115.0-125.1 134.9 59.7 102.9 32.2 12 400 A G E -BC 22 53B 0 41,-2.4 41,-3.3 -2,-0.4 2,-0.3 -0.904 49.6 -88.0-170.6-160.1 58.8 99.2 32.0 13 401 A I E -BC 21 52B 0 8,-2.6 8,-3.4 -2,-0.3 2,-0.5 -0.826 35.3 -98.0-132.3 167.7 58.7 96.1 29.9 14 402 A E E -B 20 0B 62 37,-1.1 37,-0.3 -2,-0.3 2,-0.2 -0.764 40.8-172.8 -88.1 127.6 56.4 94.3 27.4 15 403 A T E >> -B 19 0B 1 4,-2.5 4,-1.4 -2,-0.5 3,-1.2 -0.716 41.8 -56.9-114.0 167.2 54.3 91.5 28.9 16 404 A M T 34 S+ 0 0 25 203,-2.9 -1,-0.1 1,-0.3 203,-0.1 -0.133 123.5 38.2 -45.6 125.8 52.0 88.9 27.2 17 405 A G T 34 S- 0 0 35 1,-0.1 -1,-0.3 131,-0.1 128,-0.1 0.311 123.7 -87.6 108.7 -1.3 49.3 90.5 25.2 18 406 A G T <4 S+ 0 0 19 -3,-1.2 42,-2.4 1,-0.2 43,-0.5 0.824 85.2 143.3 69.4 34.4 51.6 93.3 23.9 19 407 A V E < -BD 15 59B 12 -4,-1.4 -4,-2.5 40,-0.2 2,-0.5 -0.761 53.4-118.1-107.4 148.0 50.9 95.5 26.8 20 408 A M E -B 14 0B 13 38,-2.5 2,-0.6 -2,-0.3 -6,-0.2 -0.774 24.0-160.8 -87.6 126.1 53.4 97.8 28.6 21 409 A T E -B 13 0B 20 -8,-3.4 -8,-2.6 -2,-0.5 2,-0.3 -0.948 17.4-132.9-107.2 119.8 53.9 96.9 32.2 22 410 A T E +B 12 0B 63 -2,-0.6 -10,-0.3 -10,-0.3 3,-0.2 -0.553 31.0 170.2 -77.8 132.6 55.5 99.7 34.2 23 411 A L E S+ 0 0 15 -12,-3.1 2,-0.5 1,-0.3 -11,-0.2 0.717 79.9 29.3-104.2 -41.3 58.4 99.1 36.5 24 412 A I E S-B 11 0B 0 -13,-2.8 -13,-2.8 10,-0.1 -1,-0.3 -0.969 86.7-134.2-127.0 116.2 59.2 102.8 37.3 25 413 A A > - 0 0 52 -2,-0.5 3,-0.7 -15,-0.2 -18,-0.2 -0.168 30.8 -84.9 -68.7 156.3 56.4 105.3 37.2 26 414 A K T 3 S+ 0 0 80 1,-0.2 -1,-0.1 -18,-0.1 -17,-0.1 -0.224 110.9 20.7 -56.0 145.2 56.4 108.7 35.5 27 415 A N T 3 S+ 0 0 90 -20,-3.0 2,-0.4 1,-0.2 -1,-0.2 0.833 82.9 152.2 61.2 36.4 57.8 111.6 37.5 28 416 A T < - 0 0 29 -3,-0.7 -21,-2.6 -21,-0.4 2,-0.3 -0.778 45.0-124.0 -95.3 140.7 59.8 109.4 39.8 29 417 A T B -A 6 0A 68 -2,-0.4 -23,-0.2 -23,-0.2 -25,-0.0 -0.699 40.6 -96.4 -86.6 138.3 62.9 111.0 41.3 30 418 A I S S+ 0 0 34 -25,-1.7 -25,-0.3 -2,-0.3 2,-0.1 -0.687 94.0 59.0-105.3 158.8 66.2 109.2 40.7 31 419 A P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 60,-0.2 0.484 78.5 149.5 -66.0 149.2 68.2 107.4 41.8 32 420 A T E -F 90 0C 21 58,-2.0 58,-3.0 -2,-0.1 2,-0.4 -0.992 31.3-162.6-154.3 147.0 65.6 104.7 42.1 33 421 A K E +F 89 0C 143 -2,-0.3 2,-0.3 56,-0.2 56,-0.2 -0.983 15.5 169.4-137.9 120.1 65.5 100.9 42.0 34 422 A H E -F 88 0C 75 54,-2.6 54,-3.0 -2,-0.4 2,-0.3 -0.952 7.4-172.9-130.1 152.0 62.3 98.8 41.5 35 423 A S E +F 87 0C 57 -2,-0.3 2,-0.3 52,-0.2 52,-0.2 -0.940 8.6 179.3-141.2 160.5 61.7 95.1 40.8 36 424 A Q E -F 86 0C 78 50,-1.8 50,-3.0 -2,-0.3 2,-0.4 -0.955 26.6-123.2-158.9 146.4 58.9 92.7 39.9 37 425 A V E +F 85 0C 58 -2,-0.3 181,-0.5 48,-0.2 48,-0.2 -0.835 30.7 177.1 -99.0 133.8 58.8 89.0 39.2 38 426 A F E -Fg 84 218C 3 46,-3.0 46,-2.9 -2,-0.4 2,-0.3 -0.693 9.6-152.9-121.2 179.3 57.4 87.7 35.9 39 427 A S E - g 0 219C 8 179,-1.9 181,-2.7 -2,-0.2 2,-0.2 -0.844 28.9 -70.9-146.0-179.0 57.1 84.2 34.4 40 428 A T E - g 0 220C 1 -2,-0.3 40,-1.2 179,-0.2 181,-0.2 -0.525 23.6-149.7 -82.1 145.9 56.9 82.3 31.2 41 429 A A S S+ 0 0 12 179,-1.7 2,-0.3 -2,-0.2 180,-0.1 0.716 79.7 46.2 -84.5 -23.3 53.9 82.4 28.9 42 430 A E S > S- 0 0 47 178,-0.3 3,-1.6 36,-0.1 38,-0.2 -0.923 90.1 -98.6-126.4 151.9 54.4 78.8 27.5 43 431 A D T 3 S+ 0 0 85 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.321 108.5 8.9 -63.8 138.8 55.1 75.4 28.9 44 432 A N T 3 S+ 0 0 106 33,-2.7 -1,-0.3 1,-0.2 2,-0.2 0.679 86.0 170.0 63.0 21.3 58.8 74.4 28.6 45 433 A Q < - 0 0 14 -3,-1.6 -1,-0.2 32,-0.4 -5,-0.1 -0.480 19.0-166.1 -66.6 128.6 59.7 77.9 27.6 46 434 A S + 0 0 72 -2,-0.2 28,-2.1 -3,-0.1 27,-0.5 0.516 63.4 20.5 -96.5 -8.4 63.5 78.2 27.6 47 435 A A E - E 0 72B 11 25,-0.2 2,-0.4 26,-0.2 25,-0.2 -0.990 58.1-147.9-156.9 156.5 64.0 81.9 27.4 48 436 A V E - E 0 71B 0 23,-2.0 23,-2.3 -2,-0.3 2,-0.5 -0.938 18.2-135.7-125.8 144.9 62.1 85.2 27.9 49 437 A S E - E 0 70B 15 172,-2.3 2,-0.7 -2,-0.4 21,-0.2 -0.918 11.2-152.7-103.0 129.3 62.7 88.4 25.9 50 438 A I E - E 0 69B 0 19,-3.2 19,-1.6 -2,-0.5 2,-0.7 -0.920 11.8-173.0-104.5 107.3 62.9 91.6 27.9 51 439 A H E - E 0 68B 33 -2,-0.7 -37,-1.1 -37,-0.3 2,-0.3 -0.912 15.5-146.3-105.1 104.9 61.7 94.5 25.8 52 440 A V E -CE 13 67B 0 15,-2.1 14,-2.5 -2,-0.7 15,-0.9 -0.551 19.8-169.6 -73.9 132.9 62.4 97.8 27.6 53 441 A L E -CE 12 65B 1 -41,-3.3 -41,-2.4 -2,-0.3 2,-0.4 -0.939 19.0-164.1-130.4 146.7 59.9 100.5 27.1 54 442 A Q E +CE 11 64B 18 10,-2.7 10,-3.3 -2,-0.4 2,-0.3 -0.997 50.2 68.3-125.0 126.9 59.6 104.3 27.8 55 443 A G S S- 0 0 0 -45,-2.5 -45,-0.1 -2,-0.4 8,-0.1 -0.850 74.7-100.5 152.6 177.8 56.1 105.9 27.5 56 444 A E S S+ 0 0 38 -2,-0.3 2,-0.1 6,-0.2 -1,-0.1 0.299 76.2 111.4-114.6 3.7 52.6 106.3 28.9 57 445 A R - 0 0 26 2,-0.1 -37,-0.1 1,-0.1 6,-0.1 -0.453 62.4-141.1 -81.0 152.1 50.7 104.1 26.4 58 446 A K S S+ 0 0 89 -2,-0.1 -38,-2.5 -39,-0.1 2,-0.5 0.807 87.8 75.8 -81.7 -30.1 49.1 100.8 27.3 59 447 A R B > S-D 19 0B 106 -40,-0.2 3,-1.2 1,-0.2 -40,-0.2 -0.699 78.0-145.1 -83.6 123.0 50.1 99.2 24.1 60 448 A A G > S+ 0 0 1 -42,-2.4 3,-1.8 -2,-0.5 -1,-0.2 0.886 98.3 60.2 -53.7 -39.9 53.8 98.4 24.2 61 449 A A G 3 S+ 0 0 85 -43,-0.5 -1,-0.2 1,-0.3 4,-0.1 0.720 97.7 58.6 -62.9 -23.7 54.1 99.2 20.5 62 450 A D G < S+ 0 0 63 -3,-1.2 -1,-0.3 2,-0.1 2,-0.2 0.363 97.3 80.5 -88.1 4.9 52.9 102.8 21.1 63 451 A N S < S- 0 0 16 -3,-1.8 2,-0.5 -4,-0.2 -8,-0.2 -0.575 93.7 -90.3-108.2 169.3 55.8 103.4 23.4 64 452 A K E -E 54 0B 82 -10,-3.3 -10,-2.7 -2,-0.2 2,-0.6 -0.710 38.2-136.8 -81.9 123.3 59.4 104.2 22.9 65 453 A S E -E 53 0B 58 -2,-0.5 -12,-0.2 -12,-0.2 53,-0.2 -0.709 20.4-176.7 -82.4 121.8 61.6 101.1 22.6 66 454 A L E - 0 0 30 -14,-2.5 2,-0.2 -2,-0.6 -13,-0.2 0.595 57.3 -77.7 -92.2 -11.4 64.8 101.5 24.6 67 455 A G E -E 52 0B 22 -15,-0.9 -15,-2.1 46,-0.0 -1,-0.4 -0.818 42.6-122.6 139.9 177.5 66.1 98.1 23.5 68 456 A Q E +E 51 0B 116 -2,-0.2 2,-0.3 -17,-0.2 -17,-0.2 -0.987 18.3 175.7-155.8 158.6 65.8 94.4 24.3 69 457 A F E -E 50 0B 27 -19,-1.6 -19,-3.2 -2,-0.3 2,-0.3 -0.958 24.5-119.3-156.6 163.8 67.7 91.3 25.3 70 458 A N E -E 49 0B 77 -2,-0.3 2,-0.5 -21,-0.2 -21,-0.2 -0.791 4.9-153.8-112.8 154.6 67.0 87.7 26.2 71 459 A L E +E 48 0B 2 -23,-2.3 -23,-2.0 -2,-0.3 3,-0.2 -0.999 29.4 176.3-122.0 116.1 67.5 85.6 29.3 72 460 A D E +E 47 0B 99 -2,-0.5 -25,-0.2 -25,-0.2 30,-0.1 -0.482 44.3 72.0-111.6-174.4 67.9 81.9 28.3 73 461 A G + 0 0 23 -27,-0.5 2,-0.4 1,-0.3 -26,-0.2 0.626 55.3 159.2 84.6 11.3 68.6 78.6 30.1 74 462 A I - 0 0 9 -28,-2.1 -1,-0.3 -3,-0.2 3,-0.1 -0.570 40.0-125.9 -71.5 123.9 65.2 78.5 31.8 75 463 A N - 0 0 87 -2,-0.4 -31,-0.1 1,-0.1 -30,-0.1 -0.399 37.6 -76.2 -71.4 151.6 64.7 74.8 32.8 76 464 A P S S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -33,-0.1 -0.178 71.2 141.8 -51.0 126.9 61.6 72.8 31.7 77 465 A A - 0 0 32 -3,-0.1 -33,-2.7 -32,-0.0 -32,-0.4 -0.981 55.6 -82.7-163.9 156.3 58.6 73.8 33.7 78 466 A P > - 0 0 81 0, 0.0 3,-1.6 0, 0.0 -38,-0.2 -0.334 64.7 -85.7 -62.1 153.9 54.8 74.4 33.4 79 467 A R T 3 S+ 0 0 32 1,-0.2 -38,-0.2 2,-0.1 -36,-0.1 -0.306 115.1 25.0 -59.6 140.9 54.0 77.9 32.1 80 468 A G T 3 S+ 0 0 29 -40,-1.2 -1,-0.2 -38,-0.2 -39,-0.1 0.455 99.3 92.8 85.1 -0.6 53.8 80.5 34.9 81 469 A M < + 0 0 122 -3,-1.6 -2,-0.1 -41,-0.1 -1,-0.0 0.869 58.7 88.4 -93.9 -41.6 56.1 78.6 37.2 82 470 A P S S- 0 0 17 0, 0.0 2,-0.6 0, 0.0 -42,-0.1 -0.201 70.2-137.9 -57.7 150.3 59.5 80.1 36.5 83 471 A Q + 0 0 103 -44,-0.1 20,-2.7 -46,-0.1 2,-0.8 -0.898 22.9 178.4-115.4 101.1 60.5 83.2 38.5 84 472 A I E -FH 38 102C 0 -46,-2.9 -46,-3.0 -2,-0.6 2,-0.5 -0.897 15.4-155.5-105.8 105.0 62.2 85.8 36.3 85 473 A E E -FH 37 101C 53 16,-3.0 16,-2.5 -2,-0.8 2,-0.5 -0.754 7.4-164.0 -85.4 123.7 63.0 88.8 38.5 86 474 A V E -FH 36 100C 0 -50,-3.0 -50,-1.8 -2,-0.5 2,-0.4 -0.962 5.6-169.5-111.2 126.4 63.2 92.0 36.4 87 475 A T E -FH 35 99C 13 12,-2.4 12,-2.2 -2,-0.5 2,-0.5 -0.949 12.3-161.8-121.1 132.2 64.9 95.0 38.1 88 476 A F E -FH 34 98C 0 -54,-3.0 -54,-2.6 -2,-0.4 2,-0.5 -0.972 16.8-180.0-110.6 121.2 65.0 98.6 36.8 89 477 A D E -FH 33 97C 53 8,-2.2 8,-2.9 -2,-0.5 2,-0.6 -0.951 10.1-172.7-129.9 110.2 67.8 100.6 38.5 90 478 A I E -FH 32 96C 6 -58,-3.0 -58,-2.0 -2,-0.5 6,-0.2 -0.921 16.5-156.2-104.3 121.3 68.4 104.2 37.6 91 479 A D > - 0 0 39 4,-1.9 3,-2.4 -2,-0.6 -61,-0.0 -0.298 35.6 -88.0 -89.2 177.7 71.6 105.7 39.3 92 480 A A T 3 S+ 0 0 73 1,-0.3 -62,-0.1 2,-0.1 -1,-0.1 0.808 126.7 57.2 -53.8 -35.6 72.6 109.2 40.2 93 481 A D T 3 S- 0 0 126 2,-0.1 -1,-0.3 1,-0.1 22,-0.2 0.529 118.3-112.8 -74.8 -7.3 74.1 109.7 36.7 94 482 A G < + 0 0 18 -3,-2.4 2,-0.4 1,-0.3 -2,-0.1 0.637 67.5 145.9 85.5 12.0 70.7 108.9 35.2 95 483 A I - 0 0 48 19,-0.1 -4,-1.9 20,-0.1 2,-0.6 -0.721 42.4-139.6 -85.1 129.2 71.9 105.6 33.6 96 484 A L E -HI 90 113C 9 17,-2.4 17,-3.0 -2,-0.4 2,-0.6 -0.827 14.7-167.7 -94.6 122.4 69.2 102.9 33.5 97 485 A H E -HI 89 112C 42 -8,-2.9 -8,-2.2 -2,-0.6 2,-0.5 -0.946 5.1-170.7-110.6 112.7 70.3 99.3 34.3 98 486 A V E -HI 88 111C 0 13,-2.9 13,-2.3 -2,-0.6 2,-0.3 -0.941 7.8-180.0-108.0 126.6 67.7 96.6 33.5 99 487 A S E -HI 87 110C 18 -12,-2.2 -12,-2.4 -2,-0.5 2,-0.4 -0.921 17.3-161.5-127.3 150.4 68.4 93.0 34.7 100 488 A A E -HI 86 109C 0 9,-2.2 9,-2.0 -2,-0.3 2,-0.4 -1.000 14.6-174.5-129.5 126.3 66.5 89.7 34.4 101 489 A K E -HI 85 108C 79 -16,-2.5 -16,-3.0 -2,-0.4 2,-0.7 -0.990 22.2-141.4-131.1 129.7 67.3 86.9 36.8 102 490 A D E > -H 84 0C 2 5,-2.3 4,-2.7 -2,-0.4 5,-0.3 -0.782 13.7-155.8 -85.2 114.6 66.1 83.3 36.8 103 491 A K T 4 S+ 0 0 104 -20,-2.7 -1,-0.1 -2,-0.7 -19,-0.1 0.731 88.6 52.9 -67.8 -22.9 65.7 82.5 40.5 104 492 A N T 4 S+ 0 0 115 -21,-0.2 -1,-0.2 1,-0.1 -20,-0.0 0.957 125.0 22.3 -75.3 -52.1 66.0 78.7 39.9 105 493 A S T 4 S- 0 0 45 2,-0.1 -2,-0.2 -30,-0.0 -1,-0.1 0.636 94.2-132.8 -90.8 -18.0 69.2 78.8 38.0 106 494 A G < + 0 0 50 -4,-2.7 -3,-0.1 1,-0.3 2,-0.1 0.533 54.2 148.0 77.1 3.1 70.6 82.1 39.2 107 495 A K - 0 0 105 -5,-0.3 -5,-2.3 -34,-0.1 2,-0.3 -0.408 25.0-171.7 -70.9 150.9 71.4 83.1 35.6 108 496 A E E -I 101 0C 82 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.997 15.4-169.3-147.0 145.7 71.1 86.8 34.8 109 497 A Q E -I 100 0C 96 -9,-2.0 -9,-2.2 -2,-0.3 2,-0.3 -0.984 14.2-165.5-134.4 143.1 71.3 89.1 31.7 110 498 A K E -I 99 0C 112 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.906 15.4-163.3-131.8 158.6 71.4 92.8 31.7 111 499 A I E -I 98 0C 35 -13,-2.3 -13,-2.9 -2,-0.3 2,-0.5 -0.989 13.3-153.4-137.7 136.7 71.0 95.8 29.4 112 500 A T E -I 97 0C 79 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.967 6.4-162.0-116.1 131.3 72.4 99.3 30.2 113 501 A I E -I 96 0C 14 -17,-3.0 -17,-2.4 -2,-0.5 -46,-0.0 -0.962 19.6-124.8-119.5 116.3 70.7 102.4 28.7 114 502 A K > - 0 0 139 -2,-0.5 3,-1.9 -19,-0.2 -19,-0.1 -0.202 24.5-115.6 -53.6 149.6 72.5 105.8 28.7 115 503 A A T 3 S+ 0 0 63 1,-0.3 -1,-0.1 -22,-0.2 -20,-0.1 0.684 114.4 58.2 -61.7 -22.1 70.8 108.7 30.3 116 504 A S T 3 S+ 0 0 98 2,-0.0 -1,-0.3 4,-0.0 -2,-0.1 0.532 88.4 96.9 -87.0 -7.5 70.5 110.5 26.9 117 505 A S < + 0 0 51 -3,-1.9 2,-0.3 3,-0.0 -51,-0.1 -0.230 63.2 44.0 -75.5 168.5 68.6 107.6 25.3 118 506 A G S S- 0 0 19 -53,-0.2 2,-0.3 -52,-0.0 -53,-0.1 -0.702 103.1 -17.0 99.7-151.0 64.8 107.5 25.1 119 507 A L - 0 0 36 -2,-0.3 2,-0.1 -55,-0.1 -110,-0.1 -0.702 62.9-126.0 -97.3 147.2 62.6 110.4 24.0 120 508 A N > - 0 0 83 -2,-0.3 4,-2.4 1,-0.0 5,-0.2 -0.350 39.7 -85.4 -83.6 172.1 63.6 114.1 23.9 121 509 A E H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.828 127.3 42.4 -46.3 -50.6 61.8 117.0 25.6 122 510 A D H > S+ 0 0 126 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.962 113.4 53.0 -63.9 -49.5 59.3 117.7 22.8 123 511 A E H > S+ 0 0 78 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.836 105.9 55.0 -52.8 -36.6 58.6 114.0 22.2 124 512 A I H X S+ 0 0 34 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.952 108.9 47.5 -62.6 -46.8 57.9 113.6 26.0 125 513 A Q H X S+ 0 0 40 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.866 111.9 49.6 -62.6 -38.9 55.3 116.4 25.6 126 514 A K H X S+ 0 0 115 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.915 109.1 53.2 -66.5 -40.8 53.8 114.6 22.6 127 515 A M H X S+ 0 0 15 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.901 109.9 46.4 -61.4 -44.6 53.7 111.3 24.4 128 516 A V H X S+ 0 0 61 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.911 113.5 51.0 -64.7 -39.8 51.8 112.8 27.4 129 517 A R H X S+ 0 0 146 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.957 112.6 43.9 -60.6 -53.9 49.5 114.5 24.9 130 518 A D H X S+ 0 0 55 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.866 109.2 56.6 -60.8 -40.6 48.7 111.3 22.9 131 519 A A H < S+ 0 0 17 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.912 112.3 42.7 -59.2 -40.6 48.3 109.2 26.1 132 520 A E H >< S+ 0 0 75 -4,-1.8 3,-1.1 1,-0.2 4,-0.2 0.874 112.5 52.9 -73.1 -37.8 45.6 111.6 27.2 133 521 A A H 3< S+ 0 0 78 -4,-2.4 3,-0.3 1,-0.3 -2,-0.2 0.840 117.9 38.0 -64.7 -34.5 44.1 111.8 23.7 134 522 A N T 3X S+ 0 0 55 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.3 -0.091 75.7 121.4-109.9 34.0 43.9 108.0 23.6 135 523 A A H <> S+ 0 0 60 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.892 80.6 43.8 -64.4 -37.6 42.9 107.3 27.2 136 524 A E H > S+ 0 0 73 -3,-0.3 4,-2.6 -4,-0.2 5,-0.2 0.946 112.3 50.2 -72.6 -49.1 39.7 105.5 26.2 137 525 A A H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.893 111.9 50.6 -55.7 -39.8 41.2 103.5 23.4 138 526 A D H X S+ 0 0 8 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.868 107.7 51.9 -67.4 -35.9 44.0 102.4 25.8 139 527 A R H X S+ 0 0 189 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.926 110.5 48.8 -65.4 -43.6 41.4 101.3 28.4 140 528 A K H X S+ 0 0 137 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.911 111.8 49.1 -60.8 -45.5 39.6 99.2 25.7 141 529 A F H X S+ 0 0 17 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.914 110.2 51.8 -61.3 -43.4 43.0 97.7 24.7 142 530 A E H X S+ 0 0 42 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.926 111.3 45.3 -62.0 -45.5 43.8 96.9 28.4 143 531 A E H X S+ 0 0 68 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.845 110.0 56.2 -68.9 -29.3 40.4 95.2 29.0 144 532 A L H X S+ 0 0 31 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.955 109.9 44.7 -64.8 -47.0 40.8 93.2 25.7 145 533 A V H X S+ 0 0 9 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.879 110.8 54.5 -64.7 -37.0 44.2 91.9 26.8 146 534 A Q H X S+ 0 0 106 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.941 112.9 43.9 -61.5 -43.8 42.7 91.1 30.3 147 535 A T H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.937 114.2 48.5 -66.0 -49.5 40.0 89.1 28.5 148 536 A R H X S+ 0 0 24 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.916 113.1 47.8 -59.2 -43.6 42.4 87.4 26.1 149 537 A N H X S+ 0 0 33 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.884 111.3 50.3 -66.9 -37.9 44.8 86.4 28.9 150 538 A Q H X S+ 0 0 88 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.890 111.9 48.6 -66.0 -38.6 41.9 85.1 31.1 151 539 A G H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.911 108.9 53.1 -67.6 -41.1 40.7 83.0 28.1 152 540 A D H X S+ 0 0 44 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.874 109.6 48.5 -60.6 -41.0 44.2 81.7 27.5 153 541 A H H X S+ 0 0 102 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.887 112.5 48.9 -65.1 -41.0 44.5 80.6 31.1 154 542 A L H X S+ 0 0 49 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.934 113.5 46.1 -63.9 -48.0 41.1 78.9 30.8 155 543 A L H X S+ 0 0 8 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.961 117.2 43.2 -57.8 -55.5 42.1 77.2 27.6 156 544 A H H X S+ 0 0 55 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.892 117.7 45.4 -59.6 -45.0 45.5 76.0 29.0 157 545 A S H X S+ 0 0 26 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.935 111.0 51.7 -65.9 -49.0 44.0 75.0 32.4 158 546 A T H X S+ 0 0 4 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.935 108.3 52.2 -55.8 -47.3 41.0 73.1 31.0 159 547 A R H X S+ 0 0 99 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.878 110.4 48.3 -57.0 -40.3 43.3 71.1 28.7 160 548 A K H X S+ 0 0 58 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.932 112.1 49.6 -65.6 -45.1 45.5 70.1 31.6 161 549 A Q H X S+ 0 0 59 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.846 106.0 55.5 -63.3 -36.3 42.5 69.1 33.6 162 550 A V H X S+ 0 0 12 -4,-2.4 4,-2.2 2,-0.2 7,-0.2 0.926 110.9 45.2 -62.9 -45.2 41.0 67.0 30.8 163 551 A E H < S+ 0 0 76 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.980 112.8 50.2 -61.4 -56.0 44.2 65.0 30.6 164 552 A E H < S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.731 111.8 49.6 -56.0 -25.6 44.4 64.6 34.3 165 553 A A H >< S+ 0 0 8 -4,-1.5 3,-2.5 -5,-0.2 -1,-0.2 0.877 79.2 158.0 -82.2 -38.3 40.8 63.4 34.4 166 554 A G G >< S+ 0 0 41 -4,-2.2 3,-2.3 -3,-0.3 -1,-0.1 -0.198 73.9 1.1 51.5-134.6 41.1 60.8 31.7 167 555 A D G 3 S+ 0 0 172 1,-0.3 -1,-0.3 -4,-0.1 4,-0.1 0.578 120.2 78.1 -58.7 -13.8 38.4 58.2 31.9 168 556 A K G < S+ 0 0 149 -3,-2.5 -1,-0.3 -4,-0.1 -2,-0.2 0.865 80.5 81.0 -64.9 -31.0 36.9 60.0 34.9 169 557 A L S < S- 0 0 11 -3,-2.3 -1,-0.1 -7,-0.2 5,-0.0 -0.641 88.3-123.8 -82.5 118.5 35.4 62.5 32.4 170 558 A P > - 0 0 49 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.194 19.5-119.2 -56.2 148.0 32.2 61.2 30.7 171 559 A A H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.902 111.8 53.1 -58.1 -47.1 32.2 61.1 26.9 172 560 A D H > S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.938 112.7 46.3 -53.6 -49.2 29.3 63.5 26.4 173 561 A D H > S+ 0 0 45 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.927 110.8 50.3 -60.3 -48.6 31.1 66.0 28.7 174 562 A K H X S+ 0 0 72 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.798 109.4 53.0 -62.5 -32.0 34.5 65.6 27.0 175 563 A T H X S+ 0 0 91 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.945 113.1 42.1 -68.8 -46.4 32.9 66.1 23.6 176 564 A A H X S+ 0 0 36 -4,-2.1 4,-2.5 -5,-0.2 3,-0.2 0.948 116.0 50.1 -63.7 -49.1 31.2 69.4 24.6 177 565 A I H X S+ 0 0 0 -4,-2.9 4,-1.8 29,-0.3 -2,-0.2 0.913 110.9 47.5 -56.1 -50.2 34.3 70.6 26.4 178 566 A E H X S+ 0 0 84 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.789 110.2 51.4 -68.3 -27.3 36.7 69.9 23.6 179 567 A S H X S+ 0 0 71 -4,-1.5 4,-2.6 -3,-0.2 -1,-0.2 0.955 111.7 48.7 -70.6 -45.5 34.5 71.6 21.0 180 568 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.799 109.5 52.9 -62.3 -32.2 34.3 74.6 23.3 181 569 A L H X S+ 0 0 5 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.921 109.3 47.9 -71.6 -42.4 38.1 74.6 23.7 182 570 A T H X S+ 0 0 86 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.935 113.5 48.1 -63.0 -42.4 38.7 74.6 20.0 183 571 A A H X S+ 0 0 28 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.912 111.9 50.2 -63.2 -42.7 36.2 77.4 19.6 184 572 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.932 107.9 52.3 -61.7 -47.1 37.9 79.3 22.4 185 573 A E H X S+ 0 0 68 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.834 109.6 50.0 -60.5 -34.0 41.3 78.9 20.9 186 574 A T H >< S+ 0 0 89 -4,-1.7 3,-1.2 -5,-0.2 -1,-0.2 0.942 109.9 50.8 -68.6 -44.2 40.1 80.3 17.6 187 575 A A H >< S+ 0 0 14 -4,-2.3 3,-2.6 1,-0.3 5,-0.3 0.911 102.0 60.4 -59.3 -43.9 38.5 83.3 19.4 188 576 A L H 3< S+ 0 0 37 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.737 96.7 62.7 -57.0 -25.1 41.8 84.0 21.2 189 577 A K T << S+ 0 0 166 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.435 102.2 61.9 -78.1 -7.0 43.4 84.5 17.8 190 578 A G S < S- 0 0 34 -3,-2.6 -3,-0.0 -4,-0.2 0, 0.0 -0.364 83.0-120.3-107.3-165.9 41.1 87.5 17.0 191 579 A E S S+ 0 0 152 -2,-0.1 2,-0.9 -43,-0.0 -3,-0.1 0.294 71.6 114.3-119.8 6.0 40.4 90.9 18.4 192 580 A D > - 0 0 98 -5,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.691 42.9-171.7 -86.4 105.0 36.7 90.5 19.3 193 581 A K H > S+ 0 0 50 -2,-0.9 4,-2.8 1,-0.2 5,-0.2 0.909 85.7 52.1 -61.6 -43.7 36.4 90.7 23.1 194 582 A A H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 108.9 51.4 -61.8 -38.6 32.7 89.7 23.0 195 583 A A H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 110.6 47.6 -65.3 -40.7 33.6 86.6 20.9 196 584 A I H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.938 113.4 48.2 -64.5 -46.5 36.3 85.6 23.4 197 585 A E H X S+ 0 0 90 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.853 108.2 56.1 -62.6 -35.4 34.0 86.1 26.3 198 586 A A H X S+ 0 0 46 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1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.845 81.6 44.6 -50.4 -44.3 30.7 71.5 35.3 209 597 A K H > S+ 0 0 65 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.928 113.8 50.6 -68.3 -42.1 31.5 67.8 35.6 210 598 A L H > S+ 0 0 0 1,-0.2 4,-3.4 -4,-0.2 5,-0.3 0.923 109.4 51.2 -58.9 -47.6 35.2 68.4 34.7 211 599 A M H X S+ 0 0 77 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.861 108.5 51.8 -59.1 -38.9 35.4 71.1 37.3 212 600 A E H < S+ 0 0 108 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.949 114.8 42.2 -63.7 -47.3 33.9 68.7 39.9 213 601 A I H < S+ 0 0 33 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.937 115.2 48.2 -65.2 -51.1 36.5 66.1 39.1 214 602 A A H < 0 0 50 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.834 360.0 360.0 -58.5 -36.6 39.5 68.4 38.8 215 603 A Q < 0 0 193 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.826 360.0 360.0 -64.1 360.0 38.4 70.0 42.1 216 !* 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 0.0 217 1 B N 0 0 204 0, 0.0 2,-0.4 0, 0.0 -179,-0.1 0.000 360.0 360.0 360.0 92.1 51.4 86.8 38.0 218 2 B R E -g 38 0C 86 -181,-0.5 -179,-1.9 -138,-0.0 2,-0.2 -0.938 360.0-144.8-115.4 131.3 52.5 88.4 34.7 219 3 B L E -g 39 0C 20 -2,-0.4 -203,-2.9 -181,-0.2 2,-0.4 -0.625 4.2-151.1-101.0 152.7 54.0 86.4 31.8 220 4 B L E -g 40 0C 1 -181,-2.7 -179,-1.7 -2,-0.2 -178,-0.3 -0.951 12.2-135.2-123.2 139.3 56.7 87.1 29.2 221 5 B L - 0 0 91 -2,-0.4 -172,-2.3 -207,-0.2 2,-0.5 -0.244 18.4-120.0 -82.0 175.2 57.0 85.8 25.6 222 6 B T 0 0 57 -174,-0.3 -174,-0.1 -2,-0.1 -152,-0.1 -0.902 360.0 360.0-113.2 99.3 60.2 84.4 23.9 223 7 B G 0 0 137 -2,-0.5 -1,-0.1 0, 0.0 -153,-0.0 0.311 360.0 360.0-116.7 360.0 61.3 86.4 20.7