==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JAN-12 4AG0 . COMPND 2 MOLECULE: FIMX; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.ROBERT-PAGANIN,S.NONIN-LECOMTE,S.RETY . 498 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 384 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 5.4 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 . 0 0.0 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 . 39 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.4 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 2 2 1 2 0 2 3 0 1 2 0 0 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 4 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 PARALLEL BRIDGES PER LADDER . 2 2 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 1 439 A Q 0 0 91 0, 0.0 489,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 164.7 -28.6 -7.8 48.2 2 440 A R + 0 0 124 487,-0.2 485,-0.3 485,-0.0 2,-0.2 -0.973 360.0 141.8-157.5 154.7 -25.7 -7.5 50.7 3 441 A G - 0 0 14 483,-1.2 2,-1.0 -2,-0.3 3,-0.1 -0.820 53.6 -96.6 173.1 152.0 -22.4 -9.2 51.3 4 442 A D > - 0 0 58 -2,-0.2 4,-2.4 1,-0.2 464,-0.2 -0.712 37.6-168.1 -79.2 106.3 -18.7 -9.0 52.3 5 443 A V H > S+ 0 0 0 462,-1.2 4,-2.2 -2,-1.0 -1,-0.2 0.816 83.0 55.7 -73.8 -29.0 -17.2 -8.9 48.8 6 444 A I H > S+ 0 0 34 461,-1.3 4,-1.2 2,-0.2 -1,-0.3 0.896 110.2 47.8 -69.2 -34.3 -13.7 -9.5 50.0 7 445 A A H >> S+ 0 0 34 460,-0.3 4,-1.9 2,-0.2 3,-0.6 0.950 109.5 52.3 -64.5 -54.3 -14.9 -12.6 51.7 8 446 A I H 3X S+ 0 0 25 -4,-2.4 4,-2.4 1,-0.3 -2,-0.2 0.908 108.3 50.8 -51.2 -46.8 -16.8 -13.8 48.7 9 447 A L H 3X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.3 0.840 107.9 51.9 -63.0 -34.6 -13.8 -13.5 46.4 10 448 A Q H S+ 0 0 4 -4,-2.4 5,-1.8 1,-0.2 4,-0.4 0.858 103.3 51.5 -64.0 -34.7 -14.5 -18.1 45.1 13 451 A L H <5S+ 0 0 36 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.788 111.3 51.3 -67.3 -30.6 -10.8 -18.8 44.7 14 452 A E H <5S+ 0 0 134 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.923 119.5 31.6 -67.3 -48.8 -11.5 -21.7 47.0 15 453 A T T <5S- 0 0 84 -4,-2.6 -2,-0.2 2,-0.0 -1,-0.2 0.256 104.4-121.3 -96.8 13.0 -14.4 -23.1 44.9 16 454 A N T 5 + 0 0 96 -4,-0.4 2,-0.9 -3,-0.2 -3,-0.2 0.871 53.6 161.4 37.1 45.1 -13.1 -22.0 41.5 17 455 A S < + 0 0 31 -5,-1.8 26,-2.5 -6,-0.2 2,-0.3 -0.321 34.3 105.3 -86.0 49.9 -16.3 -20.0 41.1 18 456 A F E -A 42 0A 7 -2,-0.9 2,-0.3 24,-0.2 24,-0.2 -0.767 53.1-157.0-114.0 167.7 -14.9 -17.7 38.4 19 457 A R E -A 41 0A 110 22,-2.1 22,-2.4 -2,-0.3 2,-0.5 -0.972 10.3-138.5-146.6 133.2 -15.6 -17.8 34.7 20 458 A L E -A 40 0A 9 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.784 15.0-162.6 -90.6 130.8 -13.5 -16.5 31.9 21 459 A L E -A 39 0A 22 18,-3.6 18,-2.5 -2,-0.5 2,-0.4 -0.747 8.0-145.6-106.7 160.3 -15.0 -14.7 29.0 22 460 A F E -AB 38 241A 3 219,-2.3 219,-2.7 -2,-0.3 16,-0.2 -0.995 11.7-172.1-128.3 126.9 -13.3 -14.2 25.7 23 461 A Q E -A 37 0A 12 14,-2.3 14,-3.0 -2,-0.4 216,-0.1 -0.972 26.8-120.9-124.3 118.8 -13.7 -11.1 23.4 24 462 A P E -A 36 0A 3 0, 0.0 2,-0.6 0, 0.0 210,-0.3 -0.181 11.0-151.1 -58.3 144.3 -12.1 -11.1 20.0 25 463 A V - 0 0 3 10,-2.4 2,-0.4 208,-0.1 10,-0.3 -0.981 24.5-144.0-113.1 109.7 -9.6 -8.5 19.0 26 464 A I E -C 232 0A 25 206,-2.2 206,-1.8 -2,-0.6 2,-0.3 -0.630 1.1-136.0 -86.1 132.0 -10.0 -8.1 15.3 27 465 A S E +C 231 0A 25 -2,-0.4 204,-0.2 4,-0.3 203,-0.1 -0.601 19.7 179.0 -80.2 138.2 -7.2 -7.5 12.9 28 466 A L S S+ 0 0 37 202,-2.6 203,-0.2 -2,-0.3 -1,-0.1 0.636 83.1 55.8-106.0 -26.7 -7.6 -4.9 10.1 29 467 A R S S- 0 0 106 201,-1.2 202,-0.1 199,-0.1 201,-0.1 0.260 123.7 -95.5 -90.9 16.5 -4.2 -5.3 8.7 30 468 A G + 0 0 72 1,-0.2 2,-0.6 200,-0.2 3,-0.1 0.981 56.4 169.8 66.7 59.4 -4.6 -9.0 8.0 31 469 A D - 0 0 48 199,-0.2 -4,-0.3 1,-0.1 -1,-0.2 -0.919 22.7-155.0 -91.2 125.1 -3.1 -10.8 11.0 32 470 A S + 0 0 114 -2,-0.6 -1,-0.1 2,-0.1 57,-0.1 0.843 61.1 100.6 -71.9 -37.5 -4.1 -14.4 10.6 33 471 A H S S- 0 0 42 1,-0.1 2,-0.4 -3,-0.1 57,-0.2 0.039 77.6-120.5 -39.2 152.3 -3.9 -15.3 14.4 34 472 A E E - d 0 90A 31 55,-2.8 57,-2.1 -8,-0.1 2,-0.4 -0.784 33.5-167.5 -87.0 143.0 -7.0 -15.4 16.4 35 473 A N E + d 0 91A 1 -2,-0.4 -10,-2.4 -10,-0.3 2,-0.3 -0.986 10.1 173.4-132.5 132.3 -6.7 -12.9 19.2 36 474 A Y E -Ad 24 92A 2 55,-2.2 57,-2.9 -2,-0.4 2,-0.4 -0.980 25.4-133.2-130.3 153.4 -9.0 -12.7 22.1 37 475 A E E -Ad 23 93A 11 -14,-3.0 -14,-2.3 -2,-0.3 2,-0.5 -0.847 24.8-128.2 -97.7 141.6 -9.0 -10.6 25.3 38 476 A V E -A 22 0A 5 55,-3.5 57,-0.4 -2,-0.4 2,-0.4 -0.791 24.7-170.3 -94.8 128.0 -9.6 -12.4 28.6 39 477 A L E -A 21 0A 25 -18,-2.5 -18,-3.6 -2,-0.5 2,-0.4 -0.943 15.3-132.1-121.0 136.2 -12.3 -11.1 30.9 40 478 A L E -A 20 0A 30 -2,-0.4 2,-0.4 -20,-0.2 -20,-0.2 -0.671 21.7-178.9 -91.3 127.4 -13.1 -12.1 34.5 41 479 A R E -A 19 0A 95 -22,-2.4 -22,-2.1 -2,-0.4 2,-0.5 -0.969 20.9-135.4-122.8 143.2 -16.6 -13.0 35.8 42 480 A L E -A 18 0A 19 -2,-0.4 2,-0.8 -24,-0.2 -24,-0.2 -0.846 13.6-137.0 -92.3 125.8 -17.6 -13.9 39.3 43 481 A L - 0 0 72 -26,-2.5 -26,-0.1 -2,-0.5 6,-0.1 -0.784 31.7-131.0 -77.0 112.0 -20.0 -16.8 39.6 44 482 A N - 0 0 54 -2,-0.8 3,-0.2 4,-0.2 4,-0.1 -0.541 18.1-110.8 -73.3 117.7 -22.3 -15.4 42.3 45 483 A P S > S- 0 0 65 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.245 70.2 -61.9 -45.8 136.0 -23.0 -17.7 45.3 46 484 A Q T 3 S+ 0 0 205 1,-0.2 2,-0.3 -3,-0.0 3,-0.1 0.238 123.8 7.0 -40.2 134.9 -26.7 -18.5 44.7 47 485 A G T 3 S+ 0 0 53 1,-0.3 -1,-0.2 -3,-0.2 -3,-0.0 -0.180 103.4 113.1 91.0 -38.9 -29.1 -15.6 44.9 48 486 A Q < - 0 0 48 -3,-2.0 -1,-0.3 -2,-0.3 2,-0.3 -0.100 45.1-169.0 -63.8 157.9 -26.3 -13.0 45.1 49 487 A E - 0 0 140 -3,-0.1 -6,-0.1 -6,-0.1 -1,-0.0 -0.794 8.1-162.5-145.8 100.9 -25.5 -10.5 42.4 50 488 A V - 0 0 9 -2,-0.3 -8,-0.2 -8,-0.1 5,-0.1 -0.791 29.5-115.4 -88.7 116.6 -22.2 -8.8 43.1 51 489 A P >> - 0 0 11 0, 0.0 4,-2.9 0, 0.0 3,-0.5 -0.215 20.6-129.0 -55.0 133.9 -22.0 -5.6 41.0 52 490 A P H 3> S+ 0 0 71 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.862 106.0 53.1 -46.2 -44.0 -19.2 -5.9 38.5 53 491 A A H 3> S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.866 111.8 43.7 -73.2 -32.1 -17.7 -2.6 39.5 54 492 A E H <> S+ 0 0 9 -3,-0.5 4,-2.8 2,-0.2 5,-0.3 0.911 112.6 54.2 -76.6 -40.9 -17.5 -3.5 43.1 55 493 A F H X S+ 0 0 6 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.979 111.8 44.4 -50.9 -55.7 -16.2 -7.0 42.2 56 494 A L H < S+ 0 0 92 -4,-3.3 4,-0.5 1,-0.2 -1,-0.2 0.883 110.5 54.1 -62.4 -40.9 -13.4 -5.4 40.2 57 495 A H H >< S+ 0 0 15 -4,-2.1 3,-1.1 -5,-0.2 4,-0.3 0.934 113.5 41.5 -59.8 -45.6 -12.6 -2.9 42.8 58 496 A A H >< S+ 0 0 1 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.871 103.3 67.3 -71.3 -33.9 -12.2 -5.6 45.5 59 497 A A T 3< S+ 0 0 15 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.651 97.4 59.5 -59.0 -11.8 -10.3 -7.8 43.0 60 498 A K T < S+ 0 0 111 -3,-1.1 -1,-0.3 -4,-0.5 39,-0.2 0.634 72.6 118.0 -89.1 -22.1 -7.7 -5.1 43.3 61 499 A E S X> S- 0 0 24 -3,-1.8 4,-2.4 -4,-0.3 3,-0.6 -0.259 78.7 -99.7 -50.1 125.9 -7.0 -5.3 47.0 62 500 A A T 34 S+ 0 0 44 1,-0.2 2,-1.1 2,-0.2 -1,-0.1 -0.154 106.0 21.2 -47.8 143.0 -3.4 -6.4 47.5 63 501 A G T 3> S+ 0 0 40 1,-0.2 4,-1.0 -3,-0.1 -1,-0.2 -0.410 123.1 57.5 90.8 -56.6 -2.8 -10.1 48.3 64 502 A L H <> S+ 0 0 21 -2,-1.1 4,-2.7 -3,-0.6 5,-0.2 0.904 99.8 58.7 -64.2 -44.2 -6.1 -11.0 46.8 65 503 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 32,-0.2 0.861 102.5 51.4 -58.3 -46.0 -5.3 -9.5 43.4 66 504 A E H > S+ 0 0 40 2,-0.2 4,-2.3 -5,-0.2 -1,-0.2 0.894 112.0 46.7 -59.1 -42.6 -2.2 -11.6 42.8 67 505 A K H X S+ 0 0 133 -4,-1.0 4,-3.3 2,-0.2 -2,-0.2 0.925 112.4 49.4 -69.2 -47.5 -4.1 -14.8 43.5 68 506 A I H X S+ 0 0 4 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.934 110.1 51.7 -55.8 -41.3 -6.9 -13.8 41.3 69 507 A D H X S+ 0 0 18 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.928 111.2 48.4 -64.4 -39.5 -4.4 -12.9 38.6 70 508 A R H X S+ 0 0 67 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.936 108.7 52.5 -65.0 -44.4 -2.9 -16.4 39.0 71 509 A W H X S+ 0 0 26 -4,-3.3 4,-2.5 1,-0.2 5,-0.3 0.975 113.2 45.7 -49.5 -55.0 -6.3 -18.1 38.8 72 510 A V H X S+ 0 0 13 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.900 113.7 47.6 -57.4 -44.2 -6.9 -16.2 35.6 73 511 A I H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.877 112.3 47.5 -70.0 -36.9 -3.5 -16.9 34.1 74 512 A L H X S+ 0 0 75 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.900 115.1 46.3 -74.8 -35.8 -3.5 -20.7 34.8 75 513 A N H X S+ 0 0 49 -4,-2.5 4,-2.5 -5,-0.3 5,-0.3 0.876 111.3 51.7 -77.6 -29.7 -7.0 -21.0 33.5 76 514 A S H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.910 109.8 51.0 -67.4 -42.5 -6.2 -19.0 30.4 77 515 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.922 111.3 46.4 -62.3 -43.4 -3.2 -21.3 29.9 78 516 A K H X S+ 0 0 99 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.968 116.4 43.1 -65.1 -52.6 -5.3 -24.5 30.2 79 517 A L H X S+ 0 0 54 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.882 113.8 53.7 -62.0 -31.2 -8.1 -23.3 27.9 80 518 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.2 0.971 108.1 47.7 -68.9 -48.9 -5.5 -22.0 25.6 81 519 A A H X S+ 0 0 32 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.905 113.6 49.5 -52.3 -49.0 -3.6 -25.3 25.3 82 520 A E H >X S+ 0 0 115 -4,-2.6 4,-0.9 1,-0.2 3,-0.6 0.934 112.1 47.3 -54.4 -51.3 -6.9 -27.0 24.7 83 521 A H H ><>S+ 0 0 16 -4,-2.9 5,-1.0 1,-0.3 3,-0.6 0.893 114.0 46.3 -64.1 -40.8 -7.9 -24.6 22.0 84 522 A R H ><5S+ 0 0 49 -4,-2.9 3,-1.4 1,-0.2 -1,-0.3 0.703 98.5 69.4 -78.2 -16.7 -4.6 -24.7 20.2 85 523 A A H <<5S+ 0 0 86 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.818 93.5 60.5 -70.1 -27.8 -4.5 -28.5 20.3 86 524 A K T <<5S- 0 0 149 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.1 0.151 130.8 -94.5 -79.8 19.8 -7.3 -28.5 17.8 87 525 A G T < 5S+ 0 0 62 -3,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.349 78.0 140.2 84.7 -6.6 -5.1 -26.6 15.4 88 526 A H < - 0 0 63 -5,-1.0 2,-0.9 1,-0.1 -1,-0.2 -0.514 48.4-140.6 -72.7 136.9 -6.0 -22.9 16.1 89 527 A Q + 0 0 115 -2,-0.2 -55,-2.8 -57,-0.1 2,-0.4 -0.853 42.6 168.4 -88.4 98.6 -3.3 -20.3 16.1 90 528 A T E -d 34 0A 0 -2,-0.9 2,-0.4 -57,-0.2 -55,-0.2 -0.959 27.5-166.8-129.6 133.1 -4.6 -18.3 19.1 91 529 A K E -d 35 0A 15 -57,-2.1 -55,-2.2 -2,-0.4 2,-0.5 -0.904 13.0-150.8-109.9 145.4 -3.2 -15.5 21.3 92 530 A L E -de 36 124A 0 31,-2.3 33,-3.3 -2,-0.4 2,-0.6 -0.946 6.1-145.7-120.6 131.5 -4.8 -14.4 24.5 93 531 A F E -de 37 125A 2 -57,-2.9 -55,-3.5 -2,-0.5 2,-0.4 -0.907 24.4-174.1 -95.0 122.4 -4.7 -10.9 26.1 94 532 A V E - e 0 126A 2 31,-3.1 33,-3.4 -2,-0.6 2,-0.2 -0.973 18.2-129.5-128.9 122.5 -4.6 -11.2 29.9 95 533 A H E - e 0 127A 75 -57,-0.4 2,-0.5 -2,-0.4 33,-0.2 -0.468 13.7-156.2 -73.1 136.3 -4.7 -8.3 32.4 96 534 A L - 0 0 6 31,-2.2 33,-0.5 -2,-0.2 -30,-0.1 -0.978 15.2-135.1-110.2 127.4 -2.2 -7.9 35.2 97 535 A S > - 0 0 21 -2,-0.5 4,-1.7 -32,-0.2 -37,-0.0 -0.309 26.3-107.2 -63.5 159.6 -3.3 -6.0 38.3 98 536 A S H > S+ 0 0 29 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.866 120.3 58.4 -53.0 -47.7 -1.0 -3.5 39.8 99 537 A A H >4 S+ 0 0 14 1,-0.2 3,-1.1 -39,-0.2 -1,-0.2 0.955 106.7 48.7 -51.8 -43.9 -0.3 -5.8 42.8 100 538 A S H >4 S+ 0 0 2 1,-0.3 3,-1.6 2,-0.2 -2,-0.2 0.863 101.7 64.2 -68.1 -32.7 1.0 -8.4 40.2 101 539 A L H 3< S+ 0 0 7 -4,-1.7 -1,-0.3 1,-0.3 42,-0.2 0.757 109.7 38.5 -61.4 -24.8 3.2 -5.8 38.6 102 540 A Q T << S+ 0 0 80 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.284 89.2 110.6-106.8 9.7 5.1 -5.5 41.8 103 541 A D X - 0 0 40 -3,-1.6 3,-1.7 -4,-0.2 4,-0.4 -0.748 49.7-165.9 -89.7 107.9 5.1 -9.2 42.7 104 542 A P T 3 S+ 0 0 119 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.739 86.8 58.6 -67.6 -20.9 8.7 -10.5 42.3 105 543 A G T 3> S+ 0 0 27 1,-0.2 4,-1.3 2,-0.1 5,-0.2 0.371 82.6 87.0 -82.7 5.0 7.4 -14.1 42.4 106 544 A L H <> S+ 0 0 3 -3,-1.7 4,-2.4 -6,-0.2 5,-0.2 0.953 87.0 48.2 -73.2 -44.9 5.1 -13.7 39.4 107 545 A L H > S+ 0 0 47 -4,-0.4 4,-1.8 -3,-0.3 -1,-0.2 0.817 110.9 46.7 -63.6 -42.0 7.7 -14.4 36.7 108 546 A P H > S+ 0 0 80 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.875 114.5 50.3 -67.8 -34.2 9.2 -17.7 38.2 109 547 A W H X S+ 0 0 63 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.943 112.1 45.8 -67.4 -47.7 5.7 -18.9 38.8 110 548 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.871 107.9 56.2 -61.5 -40.8 4.6 -18.2 35.2 111 549 A G H X S+ 0 0 20 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.910 111.1 45.9 -61.1 -40.4 7.7 -19.7 33.7 112 550 A V H X S+ 0 0 105 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.909 112.5 49.6 -61.7 -48.1 6.9 -22.9 35.5 113 551 A A H X S+ 0 0 9 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.798 112.1 48.6 -71.1 -25.6 3.2 -22.8 34.5 114 552 A L H X>S+ 0 0 21 -4,-2.3 5,-1.3 2,-0.2 4,-0.8 0.858 110.8 48.7 -77.4 -45.6 4.1 -22.2 30.9 115 553 A K H ><5S+ 0 0 170 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.904 108.1 57.1 -62.0 -38.7 6.6 -25.0 30.7 116 554 A A H 3<5S+ 0 0 74 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.818 113.2 38.5 -59.0 -34.3 4.0 -27.3 32.3 117 555 A A H 3<5S- 0 0 18 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.560 98.3-137.7 -94.1 -7.7 1.5 -26.6 29.6 118 556 A R T <<5 + 0 0 220 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.861 34.5 180.0 45.4 41.5 4.1 -26.6 26.8 119 557 A L < - 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0 0 238 -3,-2.2 -3,-0.2 -4,-1.0 -2,-0.1 0.980 37.8-174.5 43.0 56.1 -44.9 19.0 42.3 370 557 B L < - 0 0 27 -5,-1.1 -1,-0.2 1,-0.1 -2,-0.1 -0.714 24.7-112.2 -88.1 132.3 -41.7 17.5 43.7 371 558 B P > - 0 0 45 0, 0.0 3,-0.6 0, 0.0 4,-0.2 -0.111 42.8 -96.5 -53.4 157.8 -40.7 18.3 47.3 372 559 B P T 3 S+ 0 0 87 0, 0.0 31,-0.1 0, 0.0 30,-0.1 -0.389 97.6 16.7 -84.1 161.5 -37.5 20.4 47.8 373 560 B E T 3 S+ 0 0 81 29,-2.3 30,-0.1 28,-0.1 29,-0.1 0.785 89.0 115.9 56.7 28.8 -34.0 19.3 48.4 374 561 B S < + 0 0 2 -3,-0.6 -31,-2.5 28,-0.3 2,-0.5 0.631 61.6 65.3 -99.7 -19.8 -35.0 15.8 47.3 375 562 B L E -n 343 0B 5 27,-0.3 29,-2.8 -33,-0.2 2,-0.6 -0.929 56.5-173.9-110.1 124.0 -32.7 15.7 44.2 376 563 B V E -no 344 404B 0 -33,-2.4 -31,-2.1 -2,-0.5 2,-0.4 -0.961 18.2-147.8-110.3 113.8 -28.9 15.8 44.4 377 564 B F E -no 345 405B 3 27,-2.3 29,-3.2 -2,-0.6 2,-0.4 -0.690 12.2-147.0 -87.8 136.1 -27.2 16.1 40.9 378 565 B Q E -no 346 406B 9 -33,-3.3 -31,-2.2 -2,-0.4 2,-0.4 -0.850 15.7-177.1-116.8 128.8 -23.9 14.4 40.4 379 566 B I E - o 0 407B 4 27,-3.3 29,-1.3 -2,-0.4 -31,-0.1 -0.979 28.2-119.3-129.7 124.4 -21.0 15.5 38.2 380 567 B S E - o 0 408B 37 -33,-0.5 29,-0.2 -2,-0.4 5,-0.2 -0.276 23.7-126.0 -53.1 144.1 -17.7 13.7 37.6 381 568 B E S > S+ 0 0 13 27,-1.5 4,-0.6 1,-0.2 5,-0.1 0.805 110.9 53.2 -67.5 -29.2 -14.7 15.7 38.7 382 569 B A H >> S+ 0 0 62 1,-0.2 4,-1.9 2,-0.2 2,-1.2 0.976 102.7 59.1 -70.3 -53.1 -13.2 15.3 35.2 383 570 B D H 34 S+ 0 0 40 1,-0.3 -1,-0.2 2,-0.2 -31,-0.0 -0.623 118.1 26.3 -71.7 97.8 -16.4 16.6 33.5 384 571 B A H 34 S+ 0 0 3 -2,-1.2 -1,-0.3 23,-0.0 -2,-0.2 0.119 107.3 69.3 125.3 -24.9 -16.4 20.0 35.1 385 572 B T H << S+ 0 0 62 -3,-1.1 3,-0.4 -4,-0.6 -2,-0.2 0.729 114.8 37.1 -75.0 -28.8 -12.8 20.3 35.9 386 573 B S S < S+ 0 0 91 -4,-1.9 2,-0.4 1,-0.2 3,-0.2 0.894 126.2 35.2 -79.5 -47.9 -13.0 20.6 32.1 387 574 B Y S > S+ 0 0 73 -5,-0.2 4,-2.2 1,-0.2 5,-0.2 -0.440 75.3 153.3-104.7 54.4 -16.2 22.5 31.7 388 575 B L H > + 0 0 54 -3,-0.4 4,-1.7 -2,-0.4 -1,-0.2 0.821 69.2 47.5 -59.1 -38.5 -15.8 24.6 34.8 389 576 B K H > S+ 0 0 141 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.866 112.0 48.8 -74.9 -39.2 -17.8 27.6 33.6 390 577 B Q H > S+ 0 0 52 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.851 110.4 53.0 -66.7 -32.3 -20.8 25.5 32.4 391 578 B A H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 33,-0.3 0.870 108.9 49.9 -70.0 -36.5 -20.7 23.6 35.8 392 579 B K H X S+ 0 0 81 -4,-1.7 4,-2.1 -5,-0.2 5,-0.3 0.951 111.3 47.2 -63.6 -49.9 -20.8 26.9 37.6 393 580 B Q H X S+ 0 0 105 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.883 115.8 47.9 -56.5 -39.0 -23.8 28.1 35.5 394 581 B L H X S+ 0 0 10 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.880 109.4 48.1 -76.7 -40.1 -25.5 24.8 36.2 395 582 B T H X S+ 0 0 4 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.896 114.6 46.2 -74.1 -38.6 -25.0 24.5 39.9 396 583 B Q H X S+ 0 0 102 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.961 111.1 54.0 -55.4 -55.2 -26.2 28.1 40.6 397 584 B G H X S+ 0 0 13 -4,-2.1 4,-1.2 -5,-0.3 -2,-0.2 0.876 109.8 49.8 -44.5 -36.8 -29.1 27.2 38.2 398 585 B L H <>S+ 0 0 3 -4,-1.3 5,-2.3 2,-0.2 4,-0.3 0.874 103.7 54.3 -81.3 -38.0 -29.7 24.3 40.5 399 586 B A H ><5S+ 0 0 44 -4,-2.1 3,-3.2 3,-0.2 -1,-0.2 0.965 104.6 58.9 -52.1 -52.7 -29.7 26.1 43.8 400 587 B T H 3<5S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.893 105.2 47.9 -41.7 -50.3 -32.4 28.3 42.3 401 588 B L T 3<5S- 0 0 46 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.489 121.8-108.5 -76.6 1.9 -34.5 25.2 41.8 402 589 B H T < 5S+ 0 0 120 -3,-3.2 -29,-2.3 -4,-0.3 -27,-0.3 0.901 76.1 135.6 68.6 43.1 -33.9 24.1 45.4 403 590 B C < - 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0 0 15 -3,-0.9 2,-0.8 2,-0.1 -31,-0.1 -0.780 67.2-131.1-124.1 160.3 -19.4 25.5 42.4 424 611 B T + 0 0 54 -33,-0.3 2,-0.4 -2,-0.3 -26,-0.1 -0.845 53.8 137.8-109.7 93.3 -22.4 25.1 44.5 425 612 B V - 0 0 4 -2,-0.8 -19,-0.2 -5,-0.2 -2,-0.1 -0.997 36.1-171.4-136.4 136.9 -22.1 21.6 45.7 426 613 B Q S S+ 0 0 57 -21,-1.6 34,-3.4 -2,-0.4 2,-0.3 0.774 73.3 54.0 -97.2 -30.4 -22.9 20.1 49.2 427 614 B F E -pq 406 460B 1 -22,-1.4 -20,-1.7 32,-0.2 2,-0.4 -0.799 55.3-167.8-109.8 149.0 -21.5 16.6 48.7 428 615 B I E -pq 407 461B 0 32,-2.2 34,-2.1 -2,-0.3 2,-0.7 -0.920 10.7-157.7-132.6 107.0 -18.1 15.3 47.5 429 616 B K E - q 0 462B 16 -22,-2.0 -19,-2.4 -2,-0.4 34,-0.2 -0.768 22.6-134.7 -87.2 112.0 -18.1 11.6 46.6 430 617 B I E -p 410 0B 1 32,-2.3 -21,-0.5 -2,-0.7 2,-0.2 -0.191 25.5 -95.9 -62.6 155.8 -14.4 10.6 46.9 431 618 B D > - 0 0 36 -21,-2.0 3,-2.4 -22,-0.2 4,-0.4 -0.534 24.6-118.6 -80.1 144.1 -12.8 8.4 44.1 432 619 B G G > S+ 0 0 7 1,-0.3 3,-2.4 -2,-0.2 -1,-0.1 0.803 108.0 73.1 -42.5 -38.5 -12.6 4.6 44.4 433 620 B S G 3 S+ 0 0 62 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.781 92.2 54.7 -56.6 -29.4 -8.8 4.9 44.3 434 621 B F G < S+ 0 0 40 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.576 99.5 63.8 -79.0 -8.9 -8.7 6.3 47.8 435 622 B V S < S+ 0 0 3 -3,-2.4 2,-0.4 -4,-0.4 -1,-0.2 -0.310 82.7 100.8-112.0 45.2 -10.6 3.3 49.2 436 623 B Q S S+ 0 0 44 -3,-0.5 4,-0.1 1,-0.2 -378,-0.1 -0.974 86.6 1.2-131.6 144.5 -8.0 0.6 48.4 437 624 B D S > S+ 0 0 34 -2,-0.4 3,-1.8 1,-0.2 6,-0.3 0.871 72.0 162.4 48.5 41.0 -5.5 -1.1 50.6 438 625 B L T 3 + 0 0 4 1,-0.3 -1,-0.2 -3,-0.1 6,-0.1 0.678 59.8 81.9 -64.7 -18.4 -6.8 0.9 53.5 439 626 B N T 3 S+ 0 0 110 4,-0.1 2,-0.4 5,-0.1 -1,-0.3 0.565 80.1 84.8 -61.2 -9.1 -5.1 -1.6 55.7 440 627 B Q S <> S- 0 0 64 -3,-1.8 4,-1.7 -4,-0.1 3,-0.2 -0.844 79.4-140.3 -97.7 138.3 -2.1 0.5 55.0 441 628 B V H > S+ 0 0 78 -2,-0.4 4,-4.2 1,-0.3 3,-0.5 0.941 100.0 55.4 -66.3 -51.3 -1.5 3.6 57.1 442 629 B E H > S+ 0 0 101 1,-0.3 4,-2.9 2,-0.2 -1,-0.3 0.864 112.6 45.9 -49.6 -37.4 -0.3 6.0 54.4 443 630 B N H > S+ 0 0 41 -6,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.794 113.7 49.0 -75.6 -29.5 -3.6 5.1 52.6 444 631 B Q H X S+ 0 0 39 -4,-1.7 4,-2.1 -3,-0.5 -2,-0.2 0.948 115.0 43.9 -65.6 -50.1 -5.4 5.6 55.9 445 632 B E H X S+ 0 0 107 -4,-4.2 4,-2.6 1,-0.2 5,-0.3 0.940 110.7 54.7 -64.9 -47.3 -3.7 8.9 56.4 446 633 B I H X S+ 0 0 88 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.902 112.0 44.4 -52.6 -44.9 -4.2 10.0 52.8 447 634 B L H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 -1,-0.3 0.837 110.4 55.3 -70.5 -31.6 -7.9 9.4 53.2 448 635 B K H X S+ 0 0 74 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.965 110.8 44.0 -63.4 -50.8 -8.0 11.1 56.6 449 636 B G H X S+ 0 0 44 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.891 111.8 52.3 -62.7 -42.9 -6.5 14.3 55.3 450 637 B L H X S+ 0 0 20 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.957 113.6 44.6 -58.7 -48.7 -8.6 14.4 52.2 451 638 B I H X S+ 0 0 4 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.823 110.4 54.0 -65.7 -36.1 -11.7 14.0 54.3 452 639 B A H >X S+ 0 0 55 -4,-2.3 4,-2.7 2,-0.2 3,-0.8 0.958 107.5 50.7 -63.9 -50.3 -10.6 16.6 56.9 453 640 B E H 3X S+ 0 0 82 -4,-2.6 4,-0.6 1,-0.3 -2,-0.2 0.865 107.4 53.2 -56.2 -38.9 -10.0 19.3 54.2 454 641 B L H 3<>S+ 0 0 1 -4,-1.7 5,-3.3 -5,-0.2 -1,-0.3 0.812 110.3 48.6 -65.3 -28.8 -13.5 18.7 52.7 455 642 B H H X<5S+ 0 0 129 -4,-1.0 3,-2.5 -3,-0.8 -2,-0.2 0.901 105.2 56.1 -78.6 -41.2 -14.9 19.2 56.2 456 643 B E H 3<5S+ 0 0 146 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.634 109.5 49.8 -57.1 -17.3 -12.9 22.4 56.6 457 644 B Q T 3<5S- 0 0 88 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.108 118.1-116.3-109.9 17.8 -14.7 23.4 53.4 458 645 B Q T < 5 + 0 0 179 -3,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.773 67.2 141.4 52.5 34.6 -18.1 22.4 54.8 459 646 B K < - 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