==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE/PEPTIDE BINDING PROTEIN 03-MAY-12 4EZS . COMPND 2 MOLECULE: CHAPERONE PROTEIN DNAK; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.ZAHN,N.STRAETER . 225 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12714.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 22.2 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 . 20 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 34.2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 1 0 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 0 167 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.0 66.3 122.2 46.4 2 390 A L + 0 0 177 1,-0.1 2,-0.3 0, 0.0 0, 0.0 0.683 360.0 29.9 -94.4 -22.4 65.5 124.4 43.4 3 391 A L - 0 0 143 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.900 60.0-161.2-127.2 163.2 65.4 121.5 41.0 4 392 A L - 0 0 117 -2,-0.3 2,-0.7 -3,-0.1 25,-0.0 -0.990 21.5-133.1-133.9 135.2 64.7 117.8 41.0 5 393 A D + 0 0 109 -2,-0.3 25,-1.4 25,-0.2 2,-0.3 -0.840 41.9 171.8 -84.3 121.6 65.9 115.4 38.4 6 394 A V B -A 29 0A 58 -2,-0.7 23,-0.2 23,-0.2 20,-0.1 -0.898 41.6-101.7-128.4 158.2 62.7 113.3 37.5 7 395 A T - 0 0 10 21,-1.9 20,-3.1 -2,-0.3 21,-0.1 -0.654 26.5-158.8 -73.0 120.4 61.6 110.7 35.0 8 396 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.774 75.1 23.4 -75.4 -19.6 59.5 112.6 32.4 9 397 A L S S- 0 0 1 16,-0.1 19,-0.1 17,-0.1 47,-0.1 -0.987 91.8 -91.3-140.0 151.9 57.8 109.3 31.4 10 398 A S - 0 0 9 -2,-0.3 45,-2.7 44,-0.1 2,-0.4 -0.185 35.5-149.7 -59.2 151.7 57.0 105.9 32.8 11 399 A L E +BC 24 54B 13 13,-2.3 12,-2.6 43,-0.2 13,-2.5 -0.985 35.4 122.8-124.3 134.3 59.6 103.1 32.1 12 400 A G E -BC 22 53B 0 41,-2.4 41,-3.1 -2,-0.4 2,-0.3 -0.863 47.3 -90.3-165.2-161.0 58.6 99.5 31.8 13 401 A I E -BC 21 52B 0 8,-2.2 8,-3.1 -2,-0.2 2,-0.5 -0.886 34.7-103.9-133.2 159.9 58.5 96.3 29.8 14 402 A E E -B 20 0B 42 37,-1.8 37,-0.4 -2,-0.3 2,-0.2 -0.755 44.4-176.8 -82.0 134.8 56.2 94.6 27.3 15 403 A T E >> -B 19 0B 12 4,-2.6 3,-1.6 -2,-0.5 4,-1.4 -0.713 40.4 -42.7-126.4 169.8 54.2 91.8 28.9 16 404 A M T 34 S+ 0 0 17 206,-2.8 3,-0.2 1,-0.2 -1,-0.2 0.076 125.0 26.5 -30.8 118.1 51.7 89.1 27.6 17 405 A G T 34 S- 0 0 8 1,-0.2 -1,-0.2 -3,-0.1 131,-0.1 0.303 125.3 -79.0 108.3 -5.5 49.1 90.6 25.2 18 406 A G T <4 S+ 0 0 11 -3,-1.6 42,-2.4 1,-0.2 43,-0.4 0.762 88.7 139.9 80.8 26.5 51.3 93.4 23.9 19 407 A V E < -BD 15 59B 21 -4,-1.4 -4,-2.6 40,-0.2 2,-0.5 -0.703 54.3-117.4-102.0 158.8 50.8 95.7 26.9 20 408 A M E -B 14 0B 16 38,-2.1 2,-0.5 -2,-0.3 -6,-0.2 -0.824 23.1-161.7 -91.5 127.2 53.2 98.0 28.8 21 409 A T E -B 13 0B 34 -8,-3.1 -8,-2.2 -2,-0.5 2,-0.3 -0.955 19.6-133.0-106.7 124.8 53.8 97.0 32.4 22 410 A T E +B 12 0B 61 -2,-0.5 -10,-0.3 -10,-0.2 3,-0.1 -0.593 32.0 169.6 -88.1 135.7 55.3 99.9 34.3 23 411 A L E S+ 0 0 16 -12,-2.6 2,-0.5 1,-0.3 -11,-0.2 0.668 77.9 31.6-105.7 -39.0 58.3 99.4 36.6 24 412 A I E S-B 11 0B 0 -13,-2.5 -13,-2.3 10,-0.0 -1,-0.3 -0.972 86.7-132.2-120.8 121.5 59.2 103.0 37.3 25 413 A A > - 0 0 55 -2,-0.5 3,-1.3 -15,-0.2 -18,-0.2 -0.356 30.6 -91.3 -71.0 146.5 56.3 105.6 37.3 26 414 A K T 3 S+ 0 0 82 1,-0.2 -1,-0.1 29,-0.1 -16,-0.1 -0.163 112.5 26.1 -38.2 137.9 56.4 109.0 35.5 27 415 A N T 3 S+ 0 0 107 -20,-3.1 2,-0.3 1,-0.2 -1,-0.2 0.665 80.9 149.9 69.5 21.5 57.8 111.7 37.8 28 416 A T < - 0 0 31 -3,-1.3 -21,-1.9 -21,-0.1 -1,-0.2 -0.662 46.1-125.9 -81.5 135.8 59.9 109.5 40.0 29 417 A T B -A 6 0A 70 -2,-0.3 -23,-0.2 -23,-0.2 -1,-0.0 -0.595 42.0 -90.8 -80.5 145.8 63.0 111.2 41.4 30 418 A I S S+ 0 0 26 -25,-1.4 -25,-0.2 -2,-0.2 2,-0.1 -0.688 96.5 56.5-100.3 159.2 66.3 109.4 40.7 31 419 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 60,-0.2 0.597 77.3 147.1 -69.6 153.2 68.1 107.4 41.9 32 420 A T E -F 90 0C 25 58,-1.6 58,-2.7 -2,-0.1 2,-0.3 -0.979 29.4-164.6-150.3 157.3 65.5 104.7 42.2 33 421 A K E +F 89 0C 135 -2,-0.3 2,-0.3 56,-0.2 56,-0.2 -0.959 13.1 168.2-147.8 128.4 65.3 100.9 41.9 34 422 A H E -F 88 0C 89 54,-1.8 54,-2.8 -2,-0.3 2,-0.3 -0.992 9.8-167.2-140.4 143.9 62.2 98.7 41.5 35 423 A S E -F 87 0C 55 -2,-0.3 2,-0.3 52,-0.2 52,-0.2 -0.916 6.9-176.7-129.2 157.7 61.7 95.0 40.7 36 424 A Q E -F 86 0C 83 50,-2.0 50,-2.9 -2,-0.3 2,-0.4 -0.970 24.7-126.8-147.6 143.8 58.8 92.8 39.7 37 425 A V E +F 85 0C 49 -2,-0.3 188,-0.3 48,-0.2 48,-0.3 -0.778 29.6 178.7 -94.1 136.5 58.8 89.0 39.1 38 426 A F E -F 84 0C 12 46,-3.5 46,-3.2 -2,-0.4 2,-0.2 -0.736 8.8-154.5-123.5 175.7 57.4 87.6 35.8 39 427 A S E -I 223 0D 0 184,-3.0 184,-2.2 -2,-0.2 2,-0.2 -0.750 29.8 -73.8-139.4-172.8 57.1 84.1 34.4 40 428 A T E -I 222 0D 2 -2,-0.2 40,-1.6 182,-0.2 8,-0.1 -0.542 24.8-150.7 -85.1 158.2 56.9 82.2 31.1 41 429 A A S S+ 0 0 11 180,-0.6 2,-0.3 -2,-0.2 38,-0.1 0.508 76.0 47.5-106.0 -8.4 53.7 82.2 28.9 42 430 A E S > S- 0 0 106 36,-0.1 3,-1.3 35,-0.1 38,-0.2 -0.949 90.9 -96.6-132.8 153.7 54.1 78.8 27.3 43 431 A D T 3 S+ 0 0 65 -2,-0.3 -2,-0.1 1,-0.2 37,-0.0 -0.384 108.9 8.7 -63.6 143.0 54.9 75.3 28.5 44 432 A N T 3 S+ 0 0 108 33,-3.2 2,-0.3 1,-0.2 -1,-0.2 0.710 84.6 168.6 60.3 24.0 58.6 74.4 28.1 45 433 A Q < - 0 0 15 -3,-1.3 -1,-0.2 32,-0.4 32,-0.1 -0.531 17.6-171.1 -68.2 126.4 59.6 78.0 27.2 46 434 A S + 0 0 74 -2,-0.3 28,-2.5 1,-0.2 2,-0.3 0.580 63.7 27.8 -97.4 -9.6 63.3 78.2 27.3 47 435 A A - 0 0 13 25,-0.2 2,-0.4 26,-0.2 25,-0.2 -0.996 59.4-154.8-148.4 147.7 63.8 82.1 26.9 48 436 A V E - E 0 71B 0 23,-2.1 23,-2.7 -2,-0.3 2,-0.5 -0.960 18.9-132.7-125.6 141.9 61.8 85.3 27.6 49 437 A T E - E 0 70B 25 171,-2.8 2,-0.7 -2,-0.4 21,-0.2 -0.849 9.9-155.5 -93.9 125.8 62.3 88.6 25.8 50 438 A I E - E 0 69B 0 19,-3.3 19,-1.7 -2,-0.5 2,-0.6 -0.928 12.7-174.2-104.5 105.7 62.6 91.7 27.9 51 439 A H E - E 0 68B 29 -2,-0.7 -37,-1.8 -37,-0.4 2,-0.3 -0.941 16.0-145.4-103.8 108.5 61.5 94.7 25.7 52 440 A V E -CE 13 67B 0 15,-2.3 14,-3.0 -2,-0.6 15,-0.8 -0.647 19.3-168.5 -80.6 132.1 62.1 98.0 27.5 53 441 A L E -CE 12 65B 0 -41,-3.1 -41,-2.4 -2,-0.3 2,-0.4 -0.911 17.2-162.1-124.1 146.9 59.6 100.8 27.0 54 442 A Q E +CE 11 64B 19 10,-2.4 10,-3.1 -2,-0.3 2,-0.3 -0.994 51.1 56.2-125.7 128.3 59.3 104.5 27.7 55 443 A G S S- 0 0 0 -45,-2.7 8,-0.1 -2,-0.4 -29,-0.1 -0.879 76.4 -93.4 148.2-174.6 56.0 106.2 27.6 56 444 A E S S+ 0 0 46 -2,-0.3 2,-0.2 6,-0.2 -1,-0.1 0.164 75.3 110.8-119.3 13.1 52.5 106.4 29.0 57 445 A R - 0 0 24 2,-0.1 -37,-0.2 1,-0.1 6,-0.1 -0.624 62.3-137.3 -88.3 157.3 50.4 104.4 26.4 58 446 A K S S+ 0 0 77 -2,-0.2 -38,-2.1 -39,-0.1 2,-0.5 0.883 87.8 75.6 -82.0 -33.3 48.8 101.0 27.3 59 447 A R B > S-D 19 0B 104 -40,-0.2 3,-2.0 1,-0.2 4,-0.3 -0.637 76.8-145.6 -74.8 122.4 49.8 99.4 24.0 60 448 A A G > S+ 0 0 1 -42,-2.4 3,-2.0 -2,-0.5 -1,-0.2 0.883 99.3 60.5 -52.4 -44.6 53.5 98.6 24.0 61 449 A A G 3 S+ 0 0 91 -43,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.601 99.0 59.2 -61.7 -12.6 53.8 99.3 20.3 62 450 A D G < S+ 0 0 65 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.405 97.4 74.9 -94.9 -3.7 52.6 103.0 21.1 63 451 A N S < S- 0 0 18 -3,-2.0 2,-0.5 -4,-0.3 -8,-0.2 -0.545 95.7 -90.1-100.1 172.2 55.6 103.6 23.4 64 452 A K E -E 54 0B 82 -10,-3.1 -10,-2.4 -2,-0.2 2,-0.4 -0.724 37.5-135.3 -87.9 122.6 59.3 104.3 22.6 65 453 A S E -E 53 0B 57 -2,-0.5 -12,-0.2 -12,-0.2 53,-0.2 -0.698 19.2-173.6 -72.4 125.8 61.3 101.1 22.5 66 454 A L E - 0 0 30 -14,-3.0 2,-0.2 1,-0.5 -13,-0.2 0.457 58.1 -73.4 -97.6 -5.0 64.5 101.6 24.4 67 455 A G E -E 52 0B 22 -15,-0.8 -15,-2.3 46,-0.0 -1,-0.5 -0.747 45.4-124.7 138.4 175.8 65.9 98.2 23.4 68 456 A Q E +E 51 0B 117 -17,-0.2 2,-0.3 -2,-0.2 -17,-0.2 -0.984 18.5 174.6-154.0 158.6 65.5 94.5 24.1 69 457 A F E -E 50 0B 26 -19,-1.7 -19,-3.3 -2,-0.3 2,-0.3 -0.952 24.6-121.6-158.9 162.1 67.4 91.4 25.1 70 458 A N E -E 49 0B 65 -2,-0.3 2,-0.6 -21,-0.2 -21,-0.2 -0.832 3.9-150.3-111.2 143.5 66.6 87.7 25.9 71 459 A L E +E 48 0B 0 -23,-2.7 -23,-2.1 -2,-0.3 3,-0.2 -0.980 32.4 174.8-103.5 116.2 67.2 85.7 29.0 72 460 A D + 0 0 84 -2,-0.6 -25,-0.2 -25,-0.2 30,-0.1 -0.335 43.7 70.5-107.7-169.3 67.6 82.1 27.9 73 461 A G + 0 0 34 1,-0.2 2,-0.3 -27,-0.2 -26,-0.2 0.629 57.6 159.9 77.4 20.5 68.5 78.8 29.6 74 462 A I - 0 0 7 -28,-2.5 -1,-0.2 -3,-0.2 3,-0.1 -0.586 42.4-118.8 -74.8 134.3 65.1 78.5 31.5 75 463 A N - 0 0 94 -2,-0.3 -30,-0.1 1,-0.1 -31,-0.1 -0.372 39.7 -79.3 -76.7 148.5 64.6 74.9 32.5 76 464 A P S S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -30,-0.1 -0.218 71.3 144.9 -47.2 125.4 61.6 72.9 31.2 77 465 A A - 0 0 28 -35,-0.1 -33,-3.2 -3,-0.1 -32,-0.4 -0.971 54.4 -88.5-159.4 155.5 58.5 73.8 33.3 78 466 A P > - 0 0 69 0, 0.0 3,-1.6 0, 0.0 -38,-0.2 -0.379 63.9 -84.1 -59.4 150.5 54.7 74.3 32.9 79 467 A R T 3 S+ 0 0 21 1,-0.2 -38,-0.2 2,-0.1 -36,-0.1 -0.252 116.1 27.4 -48.8 146.8 53.8 78.0 31.8 80 468 A G T 3 S+ 0 0 0 -40,-1.6 146,-1.0 -38,-0.2 -1,-0.2 0.383 99.3 91.2 83.1 -6.2 53.6 80.3 34.8 81 469 A M < + 0 0 109 -3,-1.6 -2,-0.1 145,-0.2 -1,-0.1 0.888 60.8 81.8 -92.5 -41.3 56.1 78.4 37.1 82 470 A P S S- 0 0 17 0, 0.0 2,-0.7 0, 0.0 -42,-0.2 -0.222 71.2-136.4 -67.2 151.7 59.5 79.9 36.4 83 471 A Q - 0 0 96 -44,-0.1 20,-2.6 142,-0.1 2,-0.6 -0.932 21.5-179.7-116.6 113.9 60.4 83.1 38.2 84 472 A I E -FG 38 102C 1 -46,-3.2 -46,-3.5 -2,-0.7 2,-0.6 -0.948 15.5-154.3-110.6 108.3 62.1 85.8 36.2 85 473 A E E -FG 37 101C 43 16,-2.8 16,-2.0 -2,-0.6 2,-0.5 -0.790 6.4-161.9 -87.8 125.5 62.9 88.8 38.3 86 474 A V E -FG 36 100C 0 -50,-2.9 -50,-2.0 -2,-0.6 2,-0.4 -0.913 6.7-169.8-109.6 123.2 63.1 92.1 36.3 87 475 A T E -FG 35 99C 12 12,-2.1 12,-2.0 -2,-0.5 2,-0.6 -0.971 11.3-161.5-115.5 128.7 64.9 95.0 38.0 88 476 A F E -FG 34 98C 0 -54,-2.8 -54,-1.8 -2,-0.4 2,-0.5 -0.958 17.3-178.8-103.0 117.5 64.9 98.6 36.7 89 477 A D E -FG 33 97C 55 8,-2.9 8,-3.0 -2,-0.6 2,-0.6 -0.957 10.9-174.1-123.9 116.4 67.8 100.5 38.3 90 478 A I E -FG 32 96C 9 -58,-2.7 -58,-1.6 -2,-0.5 6,-0.2 -0.939 18.0-155.4-111.5 117.8 68.5 104.3 37.6 91 479 A D > - 0 0 40 4,-2.0 3,-1.8 -2,-0.6 -59,-0.0 -0.068 36.3 -85.6 -86.4-176.5 71.6 105.5 39.2 92 480 A A T 3 S+ 0 0 73 1,-0.3 -62,-0.1 2,-0.1 -1,-0.1 0.770 127.1 57.7 -56.0 -29.8 72.7 109.0 40.3 93 481 A D T 3 S- 0 0 126 2,-0.1 -1,-0.3 1,-0.0 22,-0.2 0.399 117.4-111.1 -82.2 -0.2 74.1 109.6 36.7 94 482 A G < + 0 0 28 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.651 69.2 146.1 75.0 18.1 70.6 109.0 35.2 95 483 A I - 0 0 46 19,-0.1 -4,-2.0 20,-0.1 2,-0.5 -0.743 42.6-139.6 -90.1 132.1 71.8 105.7 33.6 96 484 A L E -GH 90 113C 10 17,-2.6 17,-2.9 -2,-0.4 2,-0.6 -0.843 16.4-171.4 -93.7 118.7 69.1 102.9 33.3 97 485 A H E -GH 89 112C 44 -8,-3.0 -8,-2.9 -2,-0.5 2,-0.5 -0.966 3.3-172.2-107.1 121.4 70.2 99.3 34.1 98 486 A V E +GH 88 111C 0 13,-2.9 13,-2.5 -2,-0.6 2,-0.3 -0.949 8.1 179.2-113.9 124.6 67.6 96.7 33.4 99 487 A S E -GH 87 110C 16 -12,-2.0 -12,-2.1 -2,-0.5 2,-0.4 -0.909 17.5-160.2-126.5 146.4 68.3 93.1 34.5 100 488 A A E -GH 86 109C 0 9,-2.6 9,-2.5 -2,-0.3 2,-0.4 -0.996 14.5-172.7-126.8 129.5 66.5 89.8 34.2 101 489 A K E -GH 85 108C 77 -16,-2.0 -16,-2.8 -2,-0.4 2,-0.6 -0.990 23.0-138.6-126.3 128.8 67.4 87.0 36.5 102 490 A D E > -G 84 0C 3 5,-3.1 4,-2.7 -2,-0.4 5,-0.2 -0.771 16.0-154.7 -84.4 118.4 66.2 83.4 36.6 103 491 A K T 4 S+ 0 0 105 -20,-2.6 -1,-0.2 -2,-0.6 -19,-0.1 0.670 89.1 57.6 -77.5 -17.1 65.7 82.7 40.3 104 492 A N T 4 S+ 0 0 115 -21,-0.4 -1,-0.2 3,-0.1 -20,-0.1 0.937 124.6 16.6 -71.5 -47.9 66.2 79.0 39.8 105 493 A S T 4 S- 0 0 63 2,-0.1 -2,-0.2 -30,-0.0 3,-0.1 0.694 93.2-126.6-101.7 -22.0 69.7 79.2 38.2 106 494 A G < + 0 0 45 -4,-2.7 2,-0.1 1,-0.3 -3,-0.1 0.461 55.9 154.8 78.6 5.1 70.7 82.6 39.1 107 495 A K - 0 0 87 -5,-0.2 -5,-3.1 -34,-0.1 2,-0.3 -0.454 21.5-171.6 -61.8 134.7 71.4 83.2 35.4 108 496 A E E -H 101 0C 79 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.963 19.0-173.3-131.2 145.4 71.1 87.0 34.6 109 497 A Q E -H 100 0C 93 -9,-2.5 -9,-2.6 -2,-0.3 2,-0.3 -0.985 14.5-168.4-132.1 153.1 71.1 89.2 31.4 110 498 A K E -H 99 0C 105 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.921 17.4-157.1-136.4 151.5 71.2 93.0 31.4 111 499 A I E -H 98 0C 35 -13,-2.5 -13,-2.9 -2,-0.3 2,-0.5 -0.991 14.3-153.9-122.3 137.8 70.7 96.0 29.1 112 500 A T E -H 97 0C 84 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.976 9.6-170.5-108.2 130.6 72.3 99.4 30.0 113 501 A I E -H 96 0C 12 -17,-2.9 -17,-2.6 -2,-0.5 -46,-0.0 -0.968 19.7-130.2-125.8 112.3 70.6 102.5 28.5 114 502 A K > - 0 0 135 -2,-0.5 3,-2.1 -19,-0.2 -19,-0.1 -0.181 26.7-102.9 -70.6 164.8 72.3 105.8 28.9 115 503 A A T 3 S+ 0 0 66 1,-0.3 -1,-0.1 -22,-0.2 -20,-0.1 0.707 118.2 56.7 -60.7 -24.6 70.7 109.0 30.2 116 504 A S T 3 S+ 0 0 101 4,-0.0 -1,-0.3 2,-0.0 -2,-0.1 0.520 85.6 104.2 -87.6 -10.2 70.3 110.5 26.7 117 505 A S < + 0 0 48 -3,-2.1 2,-0.1 -51,-0.0 -51,-0.1 -0.111 63.1 29.7 -60.7 167.2 68.3 107.5 25.2 118 506 A G S S- 0 0 21 -53,-0.2 2,-0.1 -52,-0.0 -53,-0.1 -0.386 103.2 -2.5 82.4-156.3 64.5 107.6 24.5 119 507 A L - 0 0 23 -2,-0.1 2,-0.1 1,-0.1 -64,-0.0 -0.417 61.3-134.4 -79.7 140.1 62.3 110.5 23.6 120 508 A N > - 0 0 84 -2,-0.1 4,-2.4 1,-0.1 3,-0.4 -0.281 41.2 -88.3 -80.8 174.0 63.5 114.2 23.4 121 509 A E H > S+ 0 0 166 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.840 128.3 51.8 -58.3 -35.2 61.4 117.0 25.0 122 510 A D H > S+ 0 0 119 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.913 113.5 44.0 -66.9 -39.2 59.3 117.5 21.9 123 511 A E H > S+ 0 0 81 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.840 109.9 56.3 -74.7 -35.0 58.4 113.9 21.7 124 512 A I H X S+ 0 0 28 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.918 108.9 46.1 -62.0 -46.4 57.8 113.7 25.5 125 513 A Q H X S+ 0 0 106 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.917 112.6 50.3 -67.5 -37.1 55.2 116.4 25.4 126 514 A K H X S+ 0 0 114 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.897 111.3 50.1 -61.6 -43.4 53.5 114.8 22.3 127 515 A M H X S+ 0 0 15 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.889 110.0 49.7 -57.3 -46.2 53.5 111.5 24.3 128 516 A V H X S+ 0 0 49 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.919 114.3 44.8 -62.8 -40.8 51.9 113.1 27.3 129 517 A R H X S+ 0 0 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R H X S+ 0 0 159 -4,-1.9 4,-2.2 -3,-0.4 -2,-0.2 0.946 109.6 50.0 -59.9 -49.0 41.3 101.6 28.4 140 528 A K H X S+ 0 0 133 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.888 111.7 48.6 -54.4 -43.9 39.4 99.6 25.8 141 529 A F H X S+ 0 0 12 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.955 110.3 50.3 -64.3 -46.2 42.6 98.0 24.7 142 530 A E H X S+ 0 0 78 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.864 110.7 49.4 -59.7 -37.8 43.6 97.2 28.2 143 531 A E H X S+ 0 0 60 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.882 111.4 50.3 -67.8 -40.9 40.2 95.5 28.9 144 532 A L H X S+ 0 0 19 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.941 110.7 48.5 -60.8 -46.4 40.5 93.5 25.7 145 533 A V H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.906 110.9 50.5 -63.4 -39.5 44.1 92.3 26.6 146 534 A Q H X S+ 0 0 113 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.960 112.6 47.2 -62.8 -47.8 42.9 91.3 30.1 147 535 A T H X S+ 0 0 9 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.926 113.8 46.9 -55.7 -51.9 40.0 89.3 28.5 148 536 A R H X S+ 0 0 37 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.887 111.7 51.2 -58.4 -39.7 42.2 87.6 25.9 149 537 A N H X S+ 0 0 31 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.866 111.2 46.8 -66.6 -41.1 44.8 86.7 28.6 150 538 A Q H X S+ 0 0 99 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.908 112.2 52.0 -66.7 -43.8 42.2 85.2 30.9 151 539 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.857 109.3 49.1 -53.3 -47.3 40.8 83.3 27.9 152 540 A D H X S+ 0 0 38 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.923 112.4 48.0 -62.7 -45.5 44.3 82.0 27.1 153 541 A H H X S+ 0 0 42 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.935 113.1 47.2 -62.4 -45.3 44.8 80.8 30.7 154 542 A L H X S+ 0 0 57 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.882 110.2 54.6 -61.9 -43.8 41.4 79.1 30.8 155 543 A L H X S+ 0 0 4 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.967 115.6 38.2 -47.9 -57.1 42.2 77.4 27.3 156 544 A H H X S+ 0 0 36 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.900 115.9 49.1 -70.8 -41.6 45.4 75.9 28.7 157 545 A S H X S+ 0 0 43 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.885 111.9 50.8 -64.2 -38.7 44.3 75.0 32.2 158 546 A T H X S+ 0 0 2 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.914 108.0 51.9 -69.9 -38.5 41.1 73.3 30.8 159 547 A R H X S+ 0 0 72 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.887 111.1 49.0 -59.8 -38.9 43.2 71.3 28.3 160 548 A K H X S+ 0 0 76 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.903 110.7 49.6 -68.6 -42.2 45.4 70.2 31.2 161 549 A Q H X S+ 0 0 56 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.839 106.6 54.9 -69.4 -34.3 42.4 69.2 33.3 162 550 A V H X S+ 0 0 14 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.964 110.9 46.8 -57.8 -51.5 40.9 67.2 30.5 163 551 A E H < S+ 0 0 151 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.914 112.8 47.1 -56.9 -49.6 44.2 65.2 30.3 164 552 A E H < S+ 0 0 98 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.827 112.2 52.6 -65.8 -31.1 44.5 64.6 34.0 165 553 A A H >< S+ 0 0 3 -4,-1.9 3,-2.1 -5,-0.2 -2,-0.2 0.890 78.4 154.5 -67.7 -42.5 40.7 63.5 34.1 166 554 A G G >< S+ 0 0 41 -4,-2.2 3,-1.3 1,-0.3 -1,-0.1 -0.203 72.2 4.7 50.6-128.1 41.2 60.9 31.3 167 555 A D G 3 S+ 0 0 171 1,-0.2 -1,-0.3 3,-0.0 4,-0.1 0.638 119.4 73.4 -59.4 -24.7 38.5 58.3 31.6 168 556 A K G < S+ 0 0 133 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.808 81.6 82.9 -62.2 -30.4 36.6 59.9 34.5 169 557 A L S < S- 0 0 10 -3,-1.3 2,-0.0 -7,-0.2 41,-0.0 -0.633 92.4-115.2 -75.2 125.7 35.2 62.6 32.1 170 558 A P > - 0 0 57 0, 0.0 4,-2.4 0, 0.0 3,-0.2 -0.368 20.3-121.6 -59.6 142.4 32.1 61.3 30.2 171 559 A A H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.893 112.5 54.4 -51.1 -48.1 32.6 61.0 26.4 172 560 A D H > S+ 0 0 138 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 109.1 46.9 -53.9 -46.4 29.8 63.4 25.7 173 561 A D H > S+ 0 0 45 -3,-0.2 4,-3.6 2,-0.2 5,-0.3 0.944 109.1 54.2 -63.2 -41.7 31.3 66.2 28.0 174 562 A K H X S+ 0 0 89 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.923 108.9 49.5 -59.7 -42.0 34.7 65.7 26.4 175 563 A T H X S+ 0 0 95 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.922 113.9 44.5 -57.1 -49.6 33.1 66.3 23.0 176 564 A A H X S+ 0 0 37 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.953 115.9 48.3 -60.8 -54.2 31.3 69.5 24.2 177 565 A I H X S+ 0 0 0 -4,-3.6 4,-2.1 29,-0.3 -2,-0.2 0.882 110.8 50.0 -51.4 -41.6 34.4 70.7 25.9 178 566 A E H X S+ 0 0 81 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.910 109.3 50.4 -75.4 -40.4 36.7 70.1 22.9 179 567 A S H X S+ 0 0 71 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.907 111.6 48.3 -53.8 -47.8 34.5 71.9 20.5 180 568 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.856 108.5 55.6 -66.9 -32.9 34.3 74.9 22.8 181 569 A L H X S+ 0 0 3 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.904 108.3 47.4 -63.0 -43.7 38.1 74.8 23.2 182 570 A T H X S+ 0 0 79 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.954 112.5 49.8 -61.1 -47.5 38.6 75.0 19.4 183 571 A A H X S+ 0 0 29 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.885 113.8 44.6 -61.4 -43.3 36.1 77.9 19.3 184 572 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 15,-0.2 -1,-0.2 0.931 108.8 55.5 -67.8 -42.5 37.9 79.8 22.0 185 573 A E H < S+ 0 0 73 -4,-2.9 4,-0.5 2,-0.2 -2,-0.2 0.948 112.0 46.7 -52.5 -41.8 41.4 79.1 20.6 186 574 A T H >< S+ 0 0 85 -4,-2.4 3,-1.8 1,-0.2 4,-0.5 0.965 110.1 50.9 -65.7 -47.1 40.0 80.7 17.4 187 575 A A H >< S+ 0 0 17 -4,-2.3 3,-1.6 1,-0.3 5,-0.4 0.861 100.3 64.0 -61.5 -35.1 38.5 83.7 19.1 188 576 A L T 3< S+ 0 0 19 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.660 94.3 63.1 -62.0 -17.6 41.7 84.5 21.0 189 577 A K T < S+ 0 0 158 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.662 100.9 58.8 -82.7 -20.8 43.4 85.2 17.7 190 578 A G S < S- 0 0 29 -3,-1.6 -3,-0.0 -4,-0.5 0, 0.0 -0.166 84.2-121.5 -91.8-169.2 41.1 88.1 16.9 191 579 A E + 0 0 130 -2,-0.1 2,-0.8 -43,-0.0 3,-0.1 -0.232 68.2 121.4-128.3 36.1 40.4 91.4 18.8 192 580 A D > - 0 0 94 -5,-0.4 4,-1.9 1,-0.2 3,-0.2 -0.874 40.8-171.7-100.4 103.8 36.7 91.0 19.4 193 581 A K H > S+ 0 0 63 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.855 81.9 53.6 -64.1 -40.4 36.3 91.1 23.1 194 582 A A H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 108.1 52.1 -63.0 -39.9 32.6 90.1 23.2 195 583 A A H > S+ 0 0 33 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.861 109.3 48.7 -63.2 -46.5 33.4 87.0 21.0 196 584 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 -9,-0.2 -2,-0.2 0.939 112.2 49.2 -56.0 -48.2 36.2 85.9 23.4 197 585 A E H X S+ 0 0 87 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.875 110.4 51.6 -62.3 -37.2 33.8 86.4 26.4 198 586 A A H X S+ 0 0 48 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.899 111.8 45.3 -67.9 -41.2 31.1 84.3 24.5 199 587 A K H X S+ 0 0 70 -4,-2.1 4,-1.9 2,-0.2 -15,-0.2 0.838 113.3 51.1 -70.5 -34.7 33.5 81.4 23.8 200 588 A M H X S+ 0 0 33 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.888 111.2 48.3 -64.2 -46.8 34.7 81.5 27.5 201 589 A Q H X S+ 0 0 121 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.885 108.7 52.8 -60.2 -42.1 31.1 81.5 28.6 202 590 A E H X S+ 0 0 71 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.919 110.7 49.9 -57.6 -44.5 30.3 78.4 26.3 203 591 A L H >X S+ 0 0 2 -4,-1.9 4,-1.0 1,-0.2 3,-0.6 0.917 108.6 50.4 -59.1 -47.4 33.3 76.7 27.9 204 592 A A H 3< S+ 0 0 66 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.862 109.8 52.1 -59.6 -41.5 32.1 77.4 31.4 205 593 A Q H 3< S+ 0 0 137 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.693 115.7 38.8 -68.8 -24.2 28.6 76.1 30.6 206 594 A V H << S+ 0 0 42 -4,-1.1 -29,-0.3 -3,-0.6 3,-0.3 0.487 107.3 64.3-104.3 -1.1 29.8 72.8 29.2 207 595 A S X + 0 0 4 -4,-1.0 4,-2.6 -3,-0.4 5,-0.2 0.242 62.3 109.7-105.6 11.5 32.7 72.1 31.7 208 596 A Q H > S+ 0 0 163 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.865 83.1 44.9 -65.4 -34.2 30.8 71.7 35.0 209 597 A K H > S+ 0 0 80 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.951 113.0 50.6 -75.4 -44.1 31.4 68.0 35.3 210 598 A L H > S+ 0 0 0 1,-0.2 4,-2.8 -4,-0.2 -2,-0.2 0.901 108.9 54.3 -51.2 -42.8 35.1 68.4 34.4 211 599 A M H X S+ 0 0 81 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.886 107.8 48.0 -62.9 -42.9 35.3 71.1 37.0 212 600 A E H X S+ 0 0 111 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.877 112.1 49.8 -66.0 -40.8 33.9 68.8 39.7 213 601 A I H X S+ 0 0 12 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.942 111.1 48.8 -60.5 -47.0 36.4 66.0 38.6 214 602 A A H X S+ 0 0 17 -4,-2.8 4,-0.8 2,-0.2 -2,-0.2 0.866 112.2 47.3 -62.3 -44.1 39.4 68.4 38.8 215 603 A Q H >< S+ 0 0 132 -4,-2.1 3,-0.9 -5,-0.2 -1,-0.2 0.918 112.3 51.4 -61.1 -47.3 38.5 69.7 42.2 216 604 A Q H 3< S+ 0 0 141 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.923 100.6 62.1 -58.0 -45.9 37.9 66.2 43.4 217 605 A Q H 3< 0 0 58 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.759 360.0 360.0 -55.4 -23.9 41.4 65.1 42.1 218 606 A H << 0 0 169 -3,-0.9 -3,-0.0 -4,-0.8 0, 0.0 -0.254 360.0 360.0-119.5 360.0 43.1 67.6 44.6 219 !* 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 0.0 220 20 B P 0 0 83 0, 0.0 -171,-2.8 0, 0.0 -178,-0.0 0.000 360.0 360.0 360.0 177.8 58.9 85.1 23.8 221 21 B R - 0 0 90 -173,-0.2 -180,-0.6 1,-0.1 2,-0.3 -0.202 360.0-118.1 -74.6 154.1 56.8 87.4 26.0 222 22 B P E -I 40 0D 1 0, 0.0 -206,-2.8 0, 0.0 -182,-0.2 -0.716 33.0-178.0 -85.7 148.9 56.7 87.2 29.9 223 23 B G E -I 39 0D 4 -184,-2.2 -184,-3.0 -2,-0.3 2,-0.1 -0.587 34.1 -64.3-127.6-169.7 53.4 86.5 31.6 224 24 B P - 0 0 57 0, 0.0 2,-0.7 0, 0.0 -186,-0.1 -0.420 45.7-110.1 -78.1 155.5 52.2 86.2 35.2 225 25 B I 0 0 80 -188,-0.3 -144,-0.2 1,-0.1 -145,-0.1 -0.751 360.0 360.0 -77.6 118.4 53.3 83.6 37.8 226 26 B Y 0 0 123 -146,-1.0 -145,-0.2 -2,-0.7 -1,-0.1 0.094 360.0 360.0-122.2 360.0 50.4 81.3 38.5