==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JUN-09 3HV8 . COMPND 2 MOLECULE: PROTEIN FIMX; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA PAO1; . AUTHOR M.V.A.S.NAVARRO,N.DE,N.BAE,H.SONDERMANN . 242 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 12 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 2 0 0 0 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 441 A G 0 0 125 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-115.1 -22.7 -24.3 -23.3 2 442 A D > + 0 0 95 1,-0.1 4,-2.1 2,-0.0 5,-0.1 -0.759 360.0 169.4-124.7 77.4 -23.9 -25.3 -19.9 3 443 A V H > S+ 0 0 49 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.839 76.5 59.5 -49.9 -36.9 -23.9 -21.9 -18.4 4 444 A I H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.952 105.1 45.1 -65.3 -49.2 -25.8 -23.5 -15.5 5 445 A A H > S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 113.9 51.3 -58.9 -42.4 -23.0 -25.9 -14.7 6 446 A I H X S+ 0 0 55 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.916 111.3 47.2 -60.4 -44.1 -20.4 -23.1 -15.0 7 447 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.907 108.9 53.4 -64.7 -43.8 -22.4 -20.9 -12.6 8 448 A Q H < S+ 0 0 104 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.930 115.3 41.6 -55.8 -46.5 -22.9 -23.7 -10.0 9 449 A Q H >X S+ 0 0 122 -4,-2.1 3,-1.3 -5,-0.2 4,-0.6 0.898 110.7 56.3 -67.8 -43.2 -19.1 -24.2 -10.1 10 450 A A H >X>S+ 0 0 2 -4,-2.8 5,-1.8 1,-0.3 3,-0.9 0.862 100.7 58.8 -58.3 -39.0 -18.3 -20.5 -10.1 11 451 A L H 3<5S+ 0 0 24 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.681 111.2 42.4 -63.1 -21.5 -20.3 -19.9 -6.9 12 452 A E H <45S+ 0 0 161 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.449 118.6 42.3-104.8 -3.6 -18.1 -22.4 -5.2 13 453 A T H <<5S- 0 0 87 -3,-0.9 -2,-0.2 -4,-0.6 -3,-0.1 0.217 105.2-110.8-128.0 14.1 -14.7 -21.2 -6.6 14 454 A N T <5 + 0 0 107 -4,-0.6 2,-1.0 1,-0.2 -3,-0.2 0.825 60.0 156.9 56.4 34.0 -14.8 -17.4 -6.5 15 455 A S < + 0 0 31 -5,-1.8 26,-2.8 -6,-0.2 2,-0.3 -0.216 44.7 85.7 -88.2 47.2 -15.0 -17.4 -10.3 16 456 A F E -A 40 0A 9 -2,-1.0 2,-0.4 24,-0.3 24,-0.2 -0.922 62.6-150.8-132.9 161.5 -16.6 -14.0 -10.4 17 457 A R E -A 39 0A 70 22,-2.8 22,-2.3 -2,-0.3 2,-0.5 -1.000 8.2-140.1-135.9 137.3 -15.1 -10.5 -10.3 18 458 A L E -A 38 0A 13 -2,-0.4 2,-0.3 20,-0.2 20,-0.2 -0.826 16.3-166.5 -92.1 133.4 -16.5 -7.2 -8.9 19 459 A L E -A 37 0A 10 18,-3.0 18,-2.7 -2,-0.5 2,-0.4 -0.818 8.9-145.0-110.2 161.6 -16.0 -4.0 -10.9 20 460 A F E -AB 36 235A 5 215,-2.5 215,-2.0 -2,-0.3 16,-0.2 -0.987 10.8-170.1-132.9 128.1 -16.6 -0.5 -9.4 21 461 A Q E -A 35 0A 15 14,-2.4 14,-2.8 -2,-0.4 212,-0.1 -0.970 27.7-123.3-122.6 119.3 -17.9 2.5 -11.2 22 462 A P E -A 34 0A 0 0, 0.0 2,-0.5 0, 0.0 206,-0.4 -0.215 12.5-149.5 -66.0 146.6 -17.8 5.8 -9.3 23 463 A V E -A 33 0A 2 10,-2.5 10,-0.6 204,-0.1 2,-0.4 -0.984 20.8-143.2-114.6 121.8 -20.9 7.9 -8.7 24 464 A I E -C 226 0A 19 202,-3.0 202,-2.1 -2,-0.5 2,-0.4 -0.745 1.0-137.5-101.3 128.8 -20.0 11.6 -8.6 25 465 A S E -C 225 0A 29 -2,-0.4 200,-0.2 6,-0.2 199,-0.1 -0.664 14.8-175.4 -78.5 132.1 -21.6 14.2 -6.3 26 466 A L S S+ 0 0 28 198,-2.6 199,-0.1 -2,-0.4 -1,-0.1 0.481 78.2 55.7 -98.5 -6.9 -22.4 17.5 -7.9 27 467 A R S S- 0 0 107 197,-0.7 -1,-0.1 195,-0.0 198,-0.1 0.259 120.5 -85.1-120.6 11.5 -23.6 19.3 -4.7 28 468 A G + 0 0 72 1,-0.3 2,-0.1 -3,-0.1 -2,-0.0 0.528 68.4 154.1 106.0 9.5 -20.8 18.9 -2.3 29 469 A D - 0 0 68 1,-0.1 -1,-0.3 2,-0.0 -4,-0.2 -0.452 34.4-149.7 -73.6 145.4 -21.2 15.6 -0.7 30 470 A S + 0 0 79 -2,-0.1 53,-0.2 2,-0.1 -1,-0.1 0.503 55.6 114.3 -97.5 -5.2 -18.1 13.9 0.7 31 471 A H - 0 0 47 1,-0.1 2,-1.0 51,-0.1 -6,-0.2 -0.358 63.9-134.4 -65.4 145.3 -18.9 10.2 0.3 32 472 A E E - d 0 84A 45 51,-2.5 53,-1.8 -8,-0.1 2,-0.4 -0.812 34.9-169.0 -97.2 91.0 -16.8 8.2 -2.2 33 473 A N E +Ad 23 85A 1 -2,-1.0 -10,-2.5 -10,-0.6 2,-0.4 -0.664 12.1 175.2 -88.6 135.2 -19.7 6.3 -3.9 34 474 A Y E -Ad 22 86A 2 51,-2.5 53,-2.6 -2,-0.4 2,-0.4 -0.998 25.0-135.4-132.9 144.4 -19.2 3.4 -6.2 35 475 A E E -Ad 21 87A 10 -14,-2.8 -14,-2.4 -2,-0.4 2,-0.4 -0.809 23.2-134.7 -88.2 134.9 -21.6 1.1 -8.0 36 476 A V E -A 20 0A 4 51,-3.0 53,-0.4 -2,-0.4 2,-0.4 -0.778 22.7-172.5 -89.4 129.9 -20.7 -2.6 -7.9 37 477 A L E -A 19 0A 29 -18,-2.7 -18,-3.0 -2,-0.4 2,-0.3 -0.991 15.4-132.9-127.8 136.1 -21.0 -4.5 -11.2 38 478 A L E -A 18 0A 20 -2,-0.4 2,-0.4 -20,-0.2 -20,-0.2 -0.667 19.3-177.5 -95.9 137.4 -20.7 -8.2 -11.6 39 479 A R E -A 17 0A 50 -22,-2.3 -22,-2.8 -2,-0.3 2,-0.3 -0.997 20.9-137.6-126.4 137.3 -18.6 -10.2 -14.1 40 480 A L E -AE 16 48A 10 8,-2.4 8,-2.7 -2,-0.4 2,-0.7 -0.703 17.3-138.3 -81.5 141.8 -18.5 -14.0 -14.4 41 481 A L E - E 0 47A 23 -26,-2.8 6,-0.2 -2,-0.3 -26,-0.0 -0.932 19.9-145.3-103.5 115.4 -15.0 -15.3 -15.0 42 482 A N > - 0 0 26 4,-2.2 3,-3.0 -2,-0.7 4,-0.1 -0.213 37.3 -86.5 -72.7 170.6 -15.2 -18.1 -17.6 43 483 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.693 131.0 53.8 -56.4 -14.7 -12.9 -21.1 -17.4 44 484 A Q T 3 S- 0 0 146 2,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.379 121.3-105.1 -97.5 2.5 -10.3 -19.1 -19.4 45 485 A G S < S+ 0 0 46 -3,-3.0 2,-0.3 1,-0.3 -4,-0.0 0.603 72.2 143.7 88.0 12.0 -10.3 -16.2 -17.0 46 486 A Q - 0 0 122 -4,-0.1 -4,-2.2 1,-0.1 2,-0.4 -0.621 54.5-113.3 -86.4 145.0 -12.4 -13.9 -19.3 47 487 A E E -E 41 0A 81 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 -0.639 30.8-165.8 -77.0 125.6 -14.9 -11.4 -18.0 48 488 A V E -E 40 0A 17 -8,-2.7 -8,-2.4 -2,-0.4 5,-0.0 -0.961 18.7-124.2-114.6 128.8 -18.5 -12.3 -19.1 49 489 A P > - 0 0 47 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.322 22.3-109.0 -75.9 155.6 -21.2 -9.7 -18.7 50 490 A P G >> S+ 0 0 40 0, 0.0 4,-2.6 0, 0.0 3,-1.7 0.774 112.1 72.5 -51.0 -34.2 -24.5 -10.1 -16.7 51 491 A A G 34 S+ 0 0 79 1,-0.3 4,-0.2 2,-0.2 -3,-0.0 0.812 97.2 50.0 -51.7 -33.7 -26.4 -10.2 -20.0 52 492 A E G <4 S+ 0 0 114 -3,-2.1 -1,-0.3 1,-0.1 -49,-0.1 0.508 128.1 11.6 -89.1 -5.4 -25.0 -13.7 -20.7 53 493 A F T <> S+ 0 0 0 -3,-1.7 4,-2.6 -4,-0.3 -2,-0.2 0.615 100.4 79.6-143.5 -25.1 -25.8 -15.4 -17.4 54 494 A L H X S+ 0 0 69 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.900 97.7 50.2 -63.3 -39.4 -28.1 -13.6 -15.0 55 495 A H H > S+ 0 0 123 -5,-0.5 4,-2.0 -4,-0.2 -1,-0.2 0.943 114.3 43.0 -60.2 -49.0 -31.3 -14.6 -16.8 56 496 A A H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.893 111.0 57.7 -67.5 -37.1 -30.4 -18.3 -16.9 57 497 A A H <>S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.2 6,-0.6 0.941 106.8 47.0 -57.9 -49.2 -29.2 -18.1 -13.3 58 498 A K H ><5S+ 0 0 94 -4,-2.3 3,-1.6 4,-0.2 -1,-0.2 0.933 111.1 50.7 -60.3 -43.8 -32.6 -17.0 -12.1 59 499 A E H 3<5S+ 0 0 176 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.842 111.0 50.5 -64.0 -30.2 -34.4 -19.6 -14.1 60 500 A A T 3<5S- 0 0 43 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.314 120.0-107.9 -90.5 5.3 -32.1 -22.3 -12.6 61 501 A G T < 5S+ 0 0 43 -3,-1.6 4,-0.2 -4,-0.2 -3,-0.2 0.747 91.0 110.4 78.5 24.1 -32.6 -21.1 -9.0 62 502 A L >< + 0 0 11 -5,-2.9 4,-2.1 -6,-0.2 -4,-0.2 0.388 43.3 94.1-108.4 -1.0 -29.2 -19.6 -8.6 63 503 A A H > S+ 0 0 4 -6,-0.6 4,-2.3 1,-0.2 28,-0.2 0.884 85.2 49.4 -68.3 -38.3 -30.0 -15.8 -8.5 64 504 A E H > S+ 0 0 64 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 110.9 50.8 -64.2 -43.6 -30.2 -15.6 -4.7 65 505 A K H > S+ 0 0 120 2,-0.2 4,-2.1 -4,-0.2 -2,-0.2 0.889 109.4 50.6 -61.6 -40.8 -26.9 -17.3 -4.3 66 506 A I H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.946 110.5 49.6 -61.7 -45.3 -25.2 -14.9 -6.9 67 507 A D H X S+ 0 0 12 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.908 109.4 51.2 -60.9 -40.8 -26.6 -11.9 -5.0 68 508 A R H X S+ 0 0 58 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.898 108.8 52.0 -64.3 -37.5 -25.3 -13.3 -1.7 69 509 A W H X S+ 0 0 31 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.936 112.8 45.0 -61.5 -45.5 -21.8 -13.7 -3.3 70 510 A V H X S+ 0 0 10 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.939 116.2 45.2 -64.4 -46.3 -21.9 -10.1 -4.5 71 511 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.919 112.1 51.3 -65.5 -45.1 -23.2 -8.8 -1.1 72 512 A L H X S+ 0 0 93 -4,-3.0 4,-1.8 -5,-0.2 -1,-0.2 0.923 115.4 42.3 -58.6 -44.0 -20.7 -10.8 0.9 73 513 A N H X S+ 0 0 35 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.846 111.4 54.2 -74.7 -32.3 -17.8 -9.6 -1.1 74 514 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 5,-0.2 0.942 108.4 50.3 -63.5 -45.7 -19.0 -6.1 -1.3 75 515 A I H X S+ 0 0 5 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.906 114.9 44.9 -57.6 -43.6 -19.2 -6.0 2.5 76 516 A K H X S+ 0 0 114 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.972 114.0 44.6 -65.6 -58.4 -15.7 -7.4 2.7 77 517 A L H < S+ 0 0 72 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.817 114.6 53.0 -57.9 -32.6 -13.9 -5.2 0.1 78 518 A L H < S+ 0 0 17 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.985 103.0 54.9 -65.1 -58.9 -15.7 -2.2 1.6 79 519 A A H < 0 0 57 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.873 360.0 360.0 -40.8 -49.5 -14.5 -3.1 5.1 80 520 A E < 0 0 146 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.774 360.0 360.0 -54.5 360.0 -11.0 -3.0 3.7 81 ! 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 82 526 A H 0 0 194 0, 0.0 2,-1.7 0, 0.0 -51,-0.1 0.000 360.0 360.0 360.0 127.9 -12.3 6.2 3.0 83 527 A Q + 0 0 94 -53,-0.2 -51,-2.5 2,-0.0 2,-0.2 -0.335 360.0 170.0 -84.0 56.2 -15.9 7.4 3.3 84 528 A T E -d 32 0A 27 -2,-1.7 2,-0.4 -53,-0.2 -51,-0.2 -0.469 19.4-177.9 -79.5 136.7 -16.9 4.7 0.8 85 529 A K E -d 33 0A 8 -53,-1.8 -51,-2.5 -2,-0.2 2,-0.4 -0.997 13.1-150.7-129.1 136.6 -20.5 3.7 0.0 86 530 A L E -df 34 118A 0 31,-2.3 33,-2.9 -2,-0.4 2,-0.6 -0.927 6.2-148.9-114.1 134.1 -21.4 0.9 -2.4 87 531 A F E -df 35 119A 0 -53,-2.6 -51,-3.0 -2,-0.4 2,-0.5 -0.892 24.1-170.6 -96.8 118.8 -24.5 0.6 -4.5 88 532 A V E - f 0 120A 0 31,-2.9 33,-2.9 -2,-0.6 2,-0.1 -0.957 16.1-128.7-122.9 127.0 -25.3 -3.1 -4.9 89 533 A H E - f 0 121A 74 -2,-0.5 2,-0.4 -53,-0.4 33,-0.2 -0.380 15.4-157.5 -70.7 145.9 -27.9 -4.6 -7.3 90 534 A L - 0 0 8 31,-2.1 33,-0.4 -2,-0.1 2,-0.1 -0.994 12.1-137.3-119.5 133.4 -30.5 -7.1 -6.1 91 535 A S > - 0 0 26 -2,-0.4 4,-1.5 -28,-0.2 3,-0.4 -0.378 30.9-105.8 -75.4 164.8 -32.2 -9.5 -8.5 92 536 A S H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.820 120.4 62.9 -61.5 -29.9 -36.0 -10.0 -8.3 93 537 A A H 4 S+ 0 0 8 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.929 102.1 49.4 -61.7 -41.5 -35.3 -13.4 -6.7 94 538 A S H >4 S+ 0 0 1 -3,-0.4 3,-1.2 1,-0.2 6,-0.2 0.856 104.4 59.3 -66.9 -32.7 -33.7 -11.7 -3.8 95 539 A L H 3< S+ 0 0 9 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.905 109.8 43.8 -57.9 -39.8 -36.7 -9.3 -3.5 96 540 A Q T 3< S+ 0 0 96 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.426 89.7 105.8 -85.3 0.8 -38.8 -12.4 -2.9 97 541 A D X - 0 0 36 -3,-1.2 3,-1.7 -4,-0.3 4,-0.5 -0.731 50.0-167.2 -93.6 106.5 -36.4 -14.1 -0.5 98 542 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.670 87.8 61.4 -66.1 -13.7 -37.7 -14.0 3.1 99 543 A G T 3> S+ 0 0 28 1,-0.2 4,-2.0 2,-0.1 5,-0.2 0.585 82.3 81.3 -86.2 -9.6 -34.2 -15.1 4.2 100 544 A L H <> S+ 0 0 3 -3,-1.7 4,-3.0 -6,-0.2 5,-0.2 0.950 91.4 46.2 -64.2 -52.0 -32.3 -12.1 2.8 101 545 A L H > S+ 0 0 45 -4,-0.5 4,-2.5 2,-0.2 5,-0.2 0.936 113.4 47.3 -57.4 -52.8 -33.0 -9.7 5.6 102 546 A P H > S+ 0 0 86 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.926 116.8 45.4 -56.1 -43.5 -32.1 -12.1 8.5 103 547 A W H X S+ 0 0 68 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.910 110.9 51.6 -66.3 -43.1 -29.0 -13.2 6.6 104 548 A L H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.910 105.5 57.4 -62.1 -40.1 -27.9 -9.6 5.8 105 549 A G H X S+ 0 0 11 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.922 111.9 40.4 -54.0 -48.7 -28.3 -8.6 9.4 106 550 A V H X S+ 0 0 105 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.868 112.9 55.0 -71.5 -34.8 -25.8 -11.3 10.5 107 551 A A H X S+ 0 0 13 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.872 108.7 48.1 -66.6 -37.7 -23.5 -10.6 7.6 108 552 A L H >X>S+ 0 0 20 -4,-2.6 5,-1.3 -5,-0.2 4,-0.9 0.960 111.7 49.1 -65.8 -50.9 -23.2 -6.9 8.4 109 553 A K H ><5S+ 0 0 167 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.886 105.9 58.0 -56.0 -43.2 -22.5 -7.6 12.1 110 554 A A H 3<5S+ 0 0 83 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.793 112.8 39.0 -59.5 -30.8 -19.8 -10.1 11.3 111 555 A A H <<5S- 0 0 35 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.509 106.8-127.7 -96.5 -7.7 -17.8 -7.6 9.3 112 556 A R T <<5 - 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