==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE/PEPTIDE BINDING PROTEIN 03-MAY-12 4EZP . COMPND 2 MOLECULE: CHAPERONE PROTEIN DNAK; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.ZAHN,N.STRAETER . 448 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 21.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 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 . 30 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 31.9 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+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 0 0 1 3 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 1 2 0 2 2 5 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 . 3 0 2 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 0 164 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.1 -19.5 33.4 -48.0 2 390 A L + 0 0 184 1,-0.1 2,-0.3 0, 0.0 0, 0.0 0.348 360.0 28.3-100.2 -2.1 -16.9 31.1 -46.4 3 391 A L + 0 0 145 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.979 60.3 159.6-152.7 158.0 -16.9 32.8 -43.1 4 392 A L - 0 0 98 -2,-0.3 2,-0.4 -3,-0.1 25,-0.0 -0.960 40.3 -93.6-168.3 165.0 -19.1 34.8 -40.8 5 393 A D + 0 0 110 25,-0.3 25,-2.0 -2,-0.3 2,-0.3 -0.750 43.8 170.1 -89.0 129.2 -19.6 35.9 -37.2 6 394 A V E -A 29 0A 49 -2,-0.4 23,-0.2 23,-0.3 20,-0.1 -0.904 42.1-111.5-124.3 164.5 -21.9 33.8 -35.0 7 395 A T E -A 28 0A 15 21,-2.3 20,-2.6 -2,-0.3 21,-0.5 -0.862 34.0-146.4 -90.8 125.8 -22.7 33.7 -31.4 8 396 A P + 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.654 69.7 28.6 -77.3 -13.9 -21.1 30.4 -30.4 9 397 A L S S- 0 0 0 17,-0.1 19,-0.1 16,-0.1 47,-0.1 -0.936 93.8 -83.8-142.7 158.5 -23.4 29.2 -27.6 10 398 A S - 0 0 8 -2,-0.3 45,-2.7 16,-0.1 2,-0.4 -0.285 39.3-152.6 -62.4 148.6 -27.1 29.6 -26.8 11 399 A L E +BC 24 54B 5 13,-2.8 12,-3.0 43,-0.2 13,-2.6 -0.972 34.1 120.7-122.8 136.8 -28.1 32.7 -24.9 12 400 A G E -BC 22 53B 0 41,-2.5 41,-3.0 -2,-0.4 2,-0.3 -0.861 47.8 -89.6-166.1-158.4 -31.1 32.9 -22.7 13 401 A I E -BC 21 52B 0 8,-2.3 8,-3.2 -2,-0.3 2,-0.4 -0.895 36.2 -98.4-134.5 157.4 -32.5 33.6 -19.2 14 402 A E E -B 20 0B 34 37,-1.6 37,-0.3 -2,-0.3 2,-0.2 -0.640 42.9-171.0 -73.4 135.4 -33.2 31.7 -16.0 15 403 A T E >> -B 19 0B 8 4,-2.9 3,-1.6 -2,-0.4 4,-1.5 -0.761 39.2 -48.8-124.0 173.7 -36.9 30.7 -15.7 16 404 A M T 34 S+ 0 0 6 417,-2.6 -1,-0.1 1,-0.3 3,-0.1 -0.018 123.3 21.8 -44.4 125.8 -39.0 29.2 -12.8 17 405 A G T 34 S- 0 0 31 1,-0.2 -1,-0.3 -3,-0.1 131,-0.0 0.454 128.2 -70.8 96.0 1.7 -37.4 26.1 -11.2 18 406 A G T <4 S+ 0 0 21 -3,-1.6 42,-2.9 1,-0.3 43,-0.5 0.786 87.8 144.0 91.1 24.5 -33.8 26.8 -12.3 19 407 A V E < -BD 15 59B 7 -4,-1.5 -4,-2.9 40,-0.2 2,-0.6 -0.757 49.1-129.8 -97.4 146.3 -34.1 26.1 -16.0 20 408 A M E -B 14 0B 3 38,-2.4 2,-0.5 -2,-0.3 -6,-0.2 -0.850 22.2-162.2 -87.9 123.8 -32.2 28.0 -18.8 21 409 A T E -B 13 0B 23 -8,-3.2 -8,-2.3 -2,-0.6 2,-0.3 -0.944 17.4-130.3-105.1 122.5 -34.7 29.1 -21.5 22 410 A T E +B 12 0B 46 -2,-0.5 -10,-0.3 -10,-0.2 3,-0.1 -0.506 33.2 168.6 -76.8 135.5 -33.0 30.0 -24.8 23 411 A L E S+ 0 0 10 -12,-3.0 2,-0.4 1,-0.3 -11,-0.2 0.700 79.7 31.8-106.7 -34.9 -33.7 33.3 -26.7 24 412 A I E S-B 11 0B 5 -13,-2.6 -13,-2.8 10,-0.0 -1,-0.3 -0.986 85.3-134.2-124.6 123.5 -30.9 33.0 -29.2 25 413 A A > - 0 0 55 -2,-0.4 3,-1.4 -15,-0.2 -18,-0.2 -0.342 35.2 -87.4 -72.3 151.1 -29.7 29.5 -30.4 26 414 A K T 3 S+ 0 0 69 1,-0.2 -17,-0.1 -18,-0.1 -1,-0.1 -0.270 112.2 20.5 -53.4 144.2 -26.0 28.6 -30.6 27 415 A N T 3 S+ 0 0 89 -20,-2.6 2,-0.2 1,-0.3 -1,-0.2 0.578 81.5 155.1 69.3 18.7 -24.4 29.5 -33.9 28 416 A T E < -A 7 0A 39 -3,-1.4 -21,-2.3 -21,-0.5 -1,-0.3 -0.542 49.6-110.3 -70.2 132.9 -27.0 32.1 -34.9 29 417 A T E -A 6 0A 76 -2,-0.2 -23,-0.3 -23,-0.2 -1,-0.1 -0.385 46.6 -97.1 -62.6 140.0 -25.4 34.7 -37.3 30 418 A I S S+ 0 0 30 -25,-2.0 -25,-0.3 62,-0.1 2,-0.2 -0.884 97.9 54.0-107.0 149.9 -24.9 38.1 -35.8 31 419 A P S S+ 0 0 85 0, 0.0 2,-0.3 0, 0.0 60,-0.2 0.419 80.6 148.0 -72.7 154.0 -26.3 40.7 -35.8 32 420 A T E -F 90 0C 37 58,-1.6 58,-2.9 -2,-0.2 2,-0.3 -0.969 28.7-163.9-152.2 156.5 -29.5 39.2 -34.5 33 421 A K E +F 89 0C 127 -2,-0.3 2,-0.3 56,-0.2 56,-0.2 -0.992 11.4 170.0-143.3 138.7 -32.5 40.1 -32.3 34 422 A H E -F 88 0C 88 54,-2.6 54,-3.0 -2,-0.3 2,-0.3 -0.981 8.8-167.7-149.1 143.9 -35.1 38.0 -30.7 35 423 A S E -F 87 0C 35 -2,-0.3 2,-0.3 52,-0.2 52,-0.2 -0.938 4.2-178.5-125.6 157.5 -37.8 38.7 -28.1 36 424 A Q E -F 86 0C 52 50,-2.4 50,-2.9 -2,-0.3 2,-0.4 -0.989 24.7-125.5-150.5 143.6 -40.1 36.5 -26.0 37 425 A V E -F 85 0C 15 -2,-0.3 2,-0.3 48,-0.2 48,-0.2 -0.778 28.9-178.7 -92.5 133.5 -42.8 37.3 -23.5 38 426 A F E -F 84 0C 0 46,-2.9 46,-3.1 -2,-0.4 2,-0.2 -0.801 5.4-163.0-119.9 162.2 -42.6 35.8 -20.1 39 427 A S E -i 433 0D 0 393,-2.1 395,-3.2 -2,-0.3 2,-0.3 -0.705 27.9 -86.6-131.6-171.9 -45.0 36.1 -17.1 40 428 A T E -i 434 0D 0 42,-0.3 40,-2.1 -2,-0.2 41,-0.1 -0.813 22.1-147.9 -95.9 147.3 -44.9 35.5 -13.3 41 429 A A S S+ 0 0 6 393,-0.6 2,-0.3 -2,-0.3 38,-0.2 0.679 77.5 46.3 -88.0 -17.3 -45.7 32.0 -11.7 42 430 A E S > S- 0 0 77 36,-0.1 3,-0.9 1,-0.0 35,-0.2 -0.897 92.7 -91.8-126.5 158.7 -47.3 33.2 -8.5 43 431 A D T 3 S+ 0 0 44 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 -0.245 100.8 13.5 -66.0 140.9 -49.9 35.7 -7.6 44 432 A N T 3 S+ 0 0 106 33,-2.3 2,-0.5 1,-0.2 -1,-0.2 0.610 73.5 161.2 72.3 23.7 -48.9 39.3 -6.7 45 433 A Q < + 0 0 4 -3,-0.9 32,-0.3 32,-0.5 -1,-0.2 -0.616 11.3 175.8 -82.3 124.4 -45.3 39.2 -7.9 46 434 A S + 0 0 48 -2,-0.5 28,-2.3 1,-0.1 27,-0.4 0.515 61.8 41.8-109.7 -9.6 -44.2 42.8 -8.3 47 435 A A - 0 0 46 25,-0.2 2,-0.3 26,-0.2 25,-0.2 -0.996 59.7-172.9-140.9 143.7 -40.5 42.2 -9.2 48 436 A V E - E 0 71B 2 23,-2.3 23,-2.7 -2,-0.3 2,-0.5 -0.925 17.9-134.4-131.5 155.0 -38.7 39.8 -11.4 49 437 A T E - E 0 70B 52 -2,-0.3 2,-0.7 21,-0.2 21,-0.2 -0.965 7.8-153.3-113.8 133.0 -35.0 39.1 -12.0 50 438 A I E - E 0 69B 0 19,-3.3 19,-1.8 -2,-0.5 2,-0.7 -0.927 14.9-171.7-104.4 105.2 -33.6 38.7 -15.5 51 439 A H E - E 0 68B 25 -2,-0.7 -37,-1.6 -37,-0.3 2,-0.4 -0.923 13.1-146.3-107.2 113.0 -30.6 36.5 -15.2 52 440 A V E -CE 13 67B 0 15,-2.7 14,-2.9 -2,-0.7 15,-0.9 -0.681 21.3-176.7 -86.3 131.4 -28.7 36.3 -18.5 53 441 A L E -CE 12 65B 2 -41,-3.0 -41,-2.5 -2,-0.4 2,-0.5 -0.897 19.0-157.4-132.5 150.1 -26.9 33.0 -19.3 54 442 A Q E +CE 11 64B 13 10,-2.4 10,-3.0 -2,-0.3 2,-0.2 -0.989 50.9 66.8-126.5 123.8 -24.7 31.5 -22.1 55 443 A G S S- 0 0 1 -45,-2.7 8,-0.1 -2,-0.5 -29,-0.1 -0.818 74.4 -98.6 153.8 179.8 -24.5 27.8 -22.7 56 444 A E S S+ 0 0 35 -2,-0.2 2,-0.2 6,-0.1 -1,-0.1 0.294 76.6 108.7-113.9 10.5 -26.2 24.6 -23.8 57 445 A R - 0 0 28 1,-0.1 -37,-0.2 2,-0.1 6,-0.1 -0.555 61.9-142.3 -93.7 151.2 -27.3 23.0 -20.4 58 446 A K S S+ 0 0 67 -2,-0.2 -38,-2.4 -39,-0.1 2,-0.5 0.838 85.1 79.3 -84.6 -27.8 -30.8 22.8 -19.2 59 447 A R B > S-D 19 0B 38 -40,-0.2 3,-1.8 1,-0.2 4,-0.3 -0.690 77.5-144.7 -73.6 120.9 -29.9 23.6 -15.5 60 448 A A G > S+ 0 0 3 -42,-2.9 3,-2.1 -2,-0.5 -1,-0.2 0.895 97.3 62.2 -52.5 -41.2 -29.4 27.4 -15.4 61 449 A A G 3 S+ 0 0 42 -43,-0.5 -1,-0.3 1,-0.3 216,-0.2 0.718 96.6 58.1 -60.0 -19.5 -26.7 26.8 -12.7 62 450 A D G < S+ 0 0 33 -3,-1.8 -1,-0.3 214,-0.1 -2,-0.2 0.541 95.5 80.0 -91.3 -4.1 -24.6 24.8 -15.2 63 451 A N S < S- 0 0 9 -3,-2.1 2,-0.6 -4,-0.3 -8,-0.2 -0.474 92.0 -92.0 -97.3 171.9 -24.4 27.7 -17.8 64 452 A K E -E 54 0B 85 -10,-3.0 -10,-2.4 -2,-0.2 2,-0.4 -0.715 36.4-132.8 -85.4 121.7 -22.2 30.8 -17.8 65 453 A S E +E 53 0B 58 -2,-0.6 -12,-0.2 -12,-0.2 53,-0.2 -0.566 25.3 177.4 -74.7 129.5 -23.7 33.8 -16.0 66 454 A L E - 0 0 30 -14,-2.9 2,-0.3 1,-0.5 -13,-0.2 0.580 58.7 -59.4-104.8 -10.5 -23.3 37.0 -18.1 67 455 A G E -E 52 0B 23 -15,-0.9 -15,-2.7 46,-0.1 -1,-0.5 -0.874 47.0-140.8 149.6 171.0 -25.2 39.4 -15.9 68 456 A Q E +E 51 0B 101 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.986 12.3 179.4-162.1 155.8 -28.5 40.1 -14.3 69 457 A F E -E 50 0B 17 -19,-1.8 -19,-3.3 -2,-0.3 2,-0.3 -0.981 22.8-119.3-153.5 165.4 -30.9 42.9 -13.4 70 458 A N E -E 49 0B 93 -2,-0.3 2,-0.5 -21,-0.2 -21,-0.2 -0.738 9.3-158.4-108.4 154.6 -34.2 43.4 -11.8 71 459 A L E +E 48 0B 4 -23,-2.7 -23,-2.3 -2,-0.3 2,-0.2 -0.994 26.8 166.0-127.1 119.5 -37.5 44.8 -13.1 72 460 A D + 0 0 93 -2,-0.5 -25,-0.2 -25,-0.2 30,-0.1 -0.651 40.7 71.4-128.1-176.8 -39.9 46.1 -10.4 73 461 A G + 0 0 43 -27,-0.4 2,-0.3 1,-0.3 -26,-0.2 0.601 60.3 154.8 86.0 7.0 -43.0 48.2 -10.1 74 462 A I - 0 0 3 -28,-2.3 -1,-0.3 -3,-0.2 3,-0.0 -0.550 53.6-109.5 -66.6 133.0 -45.1 45.5 -11.7 75 463 A N - 0 0 99 -2,-0.3 2,-0.2 -3,-0.1 -30,-0.1 -0.483 38.7-108.0 -64.6 130.7 -48.7 45.8 -10.6 76 464 A P + 0 0 64 0, 0.0 -30,-0.1 0, 0.0 -1,-0.1 -0.386 61.8 149.9 -65.3 126.0 -49.4 42.8 -8.3 77 465 A A - 0 0 11 -32,-0.3 -33,-2.3 -35,-0.2 -32,-0.5 -0.906 47.3 -59.3-150.2 166.9 -51.7 40.6 -10.3 78 466 A P > - 0 0 76 0, 0.0 3,-2.4 0, 0.0 -38,-0.2 -0.148 67.7 -86.0 -52.1 143.7 -52.7 36.9 -10.9 79 467 A R T 3 S+ 0 0 57 1,-0.3 -38,-0.2 -38,-0.2 -36,-0.1 -0.264 118.3 22.7 -46.7 132.1 -50.0 34.4 -12.0 80 468 A G T 3 S+ 0 0 27 -40,-2.1 -1,-0.3 -38,-0.2 -39,-0.1 0.214 98.1 98.5 89.4 -9.2 -49.7 34.6 -15.8 81 469 A M < + 0 0 118 -3,-2.4 -2,-0.1 -41,-0.1 -1,-0.1 0.946 58.8 81.4 -77.4 -46.9 -51.2 38.1 -16.1 82 470 A P - 0 0 9 0, 0.0 2,-0.6 0, 0.0 -42,-0.3 -0.258 66.5-151.1 -61.9 145.4 -48.0 40.3 -16.4 83 471 A Q - 0 0 54 -44,-0.1 20,-2.7 2,-0.0 2,-0.8 -0.919 16.5-177.9-118.2 98.3 -46.6 40.4 -20.0 84 472 A I E -FG 38 102C 0 -46,-3.1 -46,-2.9 -2,-0.6 2,-0.6 -0.870 13.3-153.9-105.1 109.3 -42.8 41.0 -19.6 85 473 A E E -FG 37 101C 68 16,-2.7 16,-2.1 -2,-0.8 2,-0.5 -0.725 8.5-163.8 -87.9 122.6 -41.2 41.2 -23.0 86 474 A V E -FG 36 100C 0 -50,-2.9 -50,-2.4 -2,-0.6 2,-0.4 -0.916 6.0-170.1-111.0 128.1 -37.5 40.2 -22.9 87 475 A T E -FG 35 99C 16 12,-2.6 12,-2.3 -2,-0.5 2,-0.5 -0.970 11.2-167.1-123.3 128.6 -35.4 41.2 -25.9 88 476 A F E +FG 34 98C 0 -54,-3.0 -54,-2.6 -2,-0.4 2,-0.5 -0.985 12.6 178.6-109.1 131.6 -31.9 40.0 -26.6 89 477 A D E -FG 33 97C 55 8,-2.4 8,-3.3 -2,-0.5 2,-0.5 -0.983 9.2-168.7-134.1 117.7 -30.1 42.1 -29.4 90 478 A I E -FG 32 96C 3 -58,-2.9 -58,-1.6 -2,-0.5 6,-0.2 -0.944 15.9-146.9-107.6 125.2 -26.5 41.4 -30.5 91 479 A D > - 0 0 46 4,-2.2 3,-1.9 -2,-0.5 -59,-0.0 -0.175 33.3 -92.8 -82.1-179.2 -24.9 44.0 -32.7 92 480 A A T 3 S+ 0 0 61 1,-0.3 -62,-0.1 2,-0.1 -1,-0.1 0.737 126.0 55.6 -67.8 -20.4 -22.4 43.5 -35.5 93 481 A D T 3 S- 0 0 132 2,-0.1 -1,-0.3 0, 0.0 22,-0.1 0.366 120.8-106.8 -93.3 5.9 -19.6 44.1 -33.0 94 482 A G < + 0 0 20 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.537 69.0 147.9 89.7 3.3 -20.8 41.3 -30.7 95 483 A I - 0 0 52 19,-0.1 -4,-2.2 20,-0.1 2,-0.6 -0.618 38.5-144.0 -76.4 130.8 -22.2 43.6 -28.0 96 484 A L E -GH 90 113C 8 17,-3.0 17,-3.3 -2,-0.4 2,-0.5 -0.820 14.2-170.0 -99.3 127.8 -25.2 42.0 -26.3 97 485 A H E -GH 89 112C 72 -8,-3.3 -8,-2.4 -2,-0.6 2,-0.5 -0.954 4.8-173.5-113.1 128.1 -28.1 44.3 -25.2 98 486 A V E +GH 88 111C 0 13,-2.4 13,-2.4 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108 496 A E E -H 101 0C 100 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.978 16.0-176.8-142.3 149.1 -38.3 48.8 -18.5 109 497 A Q E -H 100 0C 91 -9,-2.0 -9,-2.7 -2,-0.3 2,-0.3 -0.970 10.3-176.4-144.3 151.2 -34.7 47.9 -17.4 110 498 A K E -H 99 0C 134 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.960 12.3-159.8-142.7 163.1 -31.7 46.9 -19.5 111 499 A I E -H 98 0C 38 -13,-2.4 -13,-2.4 -2,-0.3 2,-0.5 -0.976 13.8-139.4-143.9 155.0 -28.1 45.9 -19.4 112 500 A T E -H 97 0C 80 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.2 -0.987 14.1-162.8-114.1 133.2 -25.2 45.9 -21.9 113 501 A I E -H 96 0C 9 -17,-3.3 -17,-3.0 -2,-0.5 -46,-0.1 -0.957 20.4-124.7-121.3 118.3 -22.8 42.9 -22.1 114 502 A K > - 0 0 145 -2,-0.5 3,-1.8 -19,-0.2 -19,-0.1 -0.173 19.9-118.5 -64.8 152.2 -19.5 43.3 -23.8 115 503 A A T 3 S+ 0 0 56 1,-0.3 -1,-0.1 -22,-0.1 -20,-0.1 0.717 111.3 61.0 -62.5 -29.8 -18.5 41.0 -26.7 116 504 A S T 3 S+ 0 0 98 4,-0.0 -1,-0.3 2,-0.0 -2,-0.1 0.582 85.6 106.3 -74.2 -6.2 -15.5 39.6 -24.8 117 505 A S < + 0 0 46 -3,-1.8 2,-0.1 -51,-0.0 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2,-0.2 -1,-0.2 0.931 114.3 48.2 -67.1 -41.1 -30.2 33.1 -1.3 335 511 B E H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.842 106.5 59.2 -67.9 -32.8 -29.1 30.0 -3.3 336 512 B I H X S+ 0 0 31 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.943 107.3 44.9 -58.5 -49.9 -26.9 29.0 -0.3 337 513 B Q H X S+ 0 0 113 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.923 112.9 51.2 -60.8 -42.0 -30.0 28.7 2.0 338 514 B K H X S+ 0 0 112 -4,-1.9 4,-3.5 1,-0.2 -1,-0.2 0.911 109.1 52.7 -61.1 -44.6 -32.0 26.9 -0.7 339 515 B M H X S+ 0 0 16 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.924 107.7 48.8 -61.2 -45.4 -29.1 24.4 -1.1 340 516 B V H X S+ 0 0 31 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.947 115.6 44.3 -60.7 -45.3 -29.0 23.6 2.6 341 517 B R H X S+ 0 0 148 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.915 111.4 54.8 -63.2 -47.1 -32.8 23.0 2.7 342 518 B D H X S+ 0 0 45 -4,-3.5 4,-1.5 1,-0.2 -1,-0.2 0.886 109.9 46.1 -48.4 -51.7 -32.6 21.0 -0.6 343 519 B A H < S+ 0 0 15 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.876 111.2 52.1 -65.2 -37.4 -30.0 18.7 0.9 344 520 B E H >< S+ 0 0 133 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-4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.892 110.1 50.2 -66.4 -33.0 -24.8 6.4 -3.1 355 531 B E H X S+ 0 0 106 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.926 109.7 50.2 -65.2 -46.8 -25.8 2.8 -2.8 356 532 B L H X S+ 0 0 8 -4,-2.6 4,-3.3 1,-0.2 -2,-0.2 0.909 108.3 54.3 -56.7 -44.1 -27.0 2.8 -6.4 357 533 B V H X S+ 0 0 6 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.878 101.1 56.4 -63.3 -37.3 -23.7 4.3 -7.5 358 534 B Q H X S+ 0 0 134 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.923 113.3 42.8 -59.9 -35.8 -21.5 1.6 -5.8 359 535 B T H X S+ 0 0 4 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.925 112.3 52.6 -74.3 -46.4 -23.5 -1.0 -7.9 360 536 B R H X S+ 0 0 43 -4,-3.3 4,-3.1 1,-0.2 -2,-0.2 0.890 108.4 52.0 -51.4 -42.8 -23.3 1.1 -11.1 361 537 B N H X S+ 0 0 23 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.868 108.8 48.4 -66.5 -38.3 -19.6 1.4 -10.7 362 538 B Q H X S+ 0 0 106 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.904 112.6 51.1 -62.1 -41.2 -19.2 -2.4 -10.4 363 539 B G H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.946 110.3 48.1 -59.1 -51.4 -21.4 -2.7 -13.5 364 540 B D H X S+ 0 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374 550 B V H X S+ 0 0 11 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.895 111.5 48.9 -71.7 -43.7 -13.1 -10.0 -25.8 375 551 B E H < S+ 0 0 156 -4,-2.4 3,-0.4 2,-0.2 -2,-0.2 0.984 114.4 44.9 -57.7 -58.2 -10.7 -7.8 -27.8 376 552 B E H < S+ 0 0 136 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.828 112.7 52.9 -54.2 -38.8 -7.7 -9.7 -26.4 377 553 B A H >< S+ 0 0 7 -4,-1.9 3,-1.9 -5,-0.2 4,-0.2 0.888 80.0 157.7 -63.9 -39.8 -9.5 -13.0 -27.0 378 554 B G G >< S- 0 0 34 -4,-2.3 3,-1.3 -3,-0.4 -1,-0.1 -0.227 72.8 -7.7 47.5-129.4 -10.2 -12.2 -30.7 379 555 B D G 3 S+ 0 0 146 1,-0.3 -1,-0.2 4,-0.0 4,-0.1 0.552 122.8 77.2 -78.9 -9.1 -10.8 -15.3 -32.8 380 556 B K G < S+ 0 0 138 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.803 82.4 82.8 -59.3 -32.7 -9.8 -17.7 -29.9 381 557 B L S < S- 0 0 7 -3,-1.3 5,-0.1 -4,-0.2 41,-0.0 -0.674 93.9-116.6 -77.4 116.1 -13.4 -16.8 -28.6 382 558 B P > - 0 0 52 0, 0.0 4,-2.3 0, 0.0 3,-0.4 -0.203 18.3-121.1 -58.7 145.6 -16.1 -19.0 -30.3 383 559 B A H > S+ 0 0 75 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.817 111.8 53.6 -57.9 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-1,-0.2 0.953 109.3 48.4 -67.2 -47.6 -23.0 -6.3 -22.6 394 570 B T H X S+ 0 0 74 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.898 111.5 51.0 -54.5 -45.2 -25.7 -4.2 -24.4 395 571 B A H X S+ 0 0 29 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.912 110.1 48.4 -62.8 -43.1 -28.2 -5.3 -21.7 396 572 B L H X S+ 0 0 0 -4,-2.2 4,-2.2 15,-0.2 -2,-0.2 0.926 109.6 54.3 -62.9 -41.7 -25.9 -4.4 -18.8 397 573 B E H X S+ 0 0 76 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.947 108.9 47.6 -56.1 -51.2 -25.3 -1.0 -20.5 398 574 B T H >< S+ 0 0 88 -4,-2.4 3,-1.3 1,-0.2 4,-0.2 0.931 111.3 49.9 -57.4 -48.3 -29.1 -0.3 -20.6 399 575 B A H >< S+ 0 0 20 -4,-2.5 3,-2.1 1,-0.2 5,-0.3 0.849 99.7 66.2 -57.3 -38.9 -29.6 -1.3 -17.0 400 576 B L H 3< S+ 0 0 23 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.727 94.7 59.4 -61.1 -19.8 -26.8 0.9 -15.8 401 577 B K T << S+ 0 0 155 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.541 96.6 74.5 -85.6 -9.4 -28.8 4.0 -16.9 402 578 B G S < S- 0 0 33 -3,-2.1 -3,-0.0 -4,-0.2 6,-0.0 -0.330 85.1-122.2 -93.1-178.0 -31.7 3.2 -14.5 403 579 B E S S+ 0 0 99 -2,-0.1 2,-0.8 -43,-0.0 -3,-0.1 0.154 74.1 114.6-112.6 18.2 -31.8 3.6 -10.7 404 580 B D > - 0 0 92 -5,-0.3 4,-1.7 1,-0.2 -2,-0.1 -0.786 44.2-170.6-100.0 108.3 -32.6 -0.1 -10.0 405 581 B K H > S+ 0 0 91 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.921 87.7 49.8 -60.3 -51.9 -29.7 -1.9 -8.1 406 582 B A H > S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.886 107.5 55.6 -55.8 -41.3 -31.1 -5.4 -8.5 407 583 B A H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.884 109.8 46.6 -62.5 -37.9 -31.6 -4.9 -12.3 408 584 B I H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.964 112.9 47.3 -65.1 -50.5 -27.9 -4.0 -12.6 409 585 B E H X S+ 0 0 83 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.906 109.3 57.2 -58.3 -38.1 -26.8 -6.9 -10.5 410 586 B A H X S+ 0 0 46 -4,-2.9 4,-1.9 -5,-0.2 -1,-0.2 0.922 108.8 43.7 -60.1 -43.1 -29.1 -9.1 -12.6 411 587 B K H X S+ 0 0 65 -4,-1.9 4,-2.1 1,-0.2 -15,-0.2 0.840 108.0 59.0 -75.9 -28.6 -27.5 -8.1 -15.9 412 588 B M H X S+ 0 0 37 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.933 108.6 46.6 -56.2 -45.1 -24.0 -8.5 -14.4 413 589 B Q H X S+ 0 0 103 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.873 108.6 53.0 -63.9 -43.1 -25.0 -12.1 -13.7 414 590 B E H X S+ 0 0 83 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.874 110.1 50.1 -64.4 -33.5 -26.4 -12.7 -17.2 415 591 B L H >< S+ 0 0 0 -4,-2.1 3,-0.8 -23,-0.2 -2,-0.2 0.935 109.6 50.0 -69.3 -45.5 -23.1 -11.5 -18.6 416 592 B A H >< S+ 0 0 55 -4,-2.2 3,-2.2 1,-0.2 4,-0.4 0.920 103.8 60.4 -58.8 -43.1 -21.1 -13.8 -16.3 417 593 B Q H 3< S+ 0 0 128 -4,-2.6 3,-0.2 1,-0.3 -1,-0.2 0.741 110.6 39.7 -57.3 -30.1 -23.2 -16.8 -17.4 418 594 B V T << S+ 0 0 47 -3,-0.8 -1,-0.3 -4,-0.8 -29,-0.2 0.310 106.2 71.3 -98.1 8.0 -22.2 -16.4 -21.1 419 595 B S <> + 0 0 3 -3,-2.2 4,-3.2 -4,-0.2 5,-0.2 0.385 60.2 101.9-111.1 0.9 -18.6 -15.6 -20.2 420 596 B Q H > S+ 0 0 141 -4,-0.4 4,-2.3 -3,-0.2 -1,-0.1 0.915 85.9 45.2 -54.9 -51.4 -17.2 -18.9 -18.9 421 597 B K H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.863 114.7 50.9 -63.3 -36.8 -15.3 -19.8 -22.2 422 598 B L H > S+ 0 0 1 2,-0.2 4,-3.1 -4,-0.2 5,-0.3 0.955 108.3 50.1 -61.5 -54.0 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