==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN/ISOMERASE 11-APR-12 4ELZ . COMPND 2 MOLECULE: DNA GYRASE SUBUNIT A; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO FISCHERI; . AUTHOR N.DE JONGE,M.SIMIC,L.BUTS,S.HAESAERTS,K.ROELANTS,A.GARCIA-PI . 480 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21799.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 69.8 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 . 73 15.2 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 . 4 0.8 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 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 0 1 4 1 0 2 0 0 0 0 0 0 0 0 0 0 0 3 0 1 0 0 0 0 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 . 3 1 8 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 1 352 A S 0 0 163 0, 0.0 135,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -31.6 47.1 -30.7 -35.4 2 353 A S - 0 0 73 131,-0.1 131,-0.0 3,-0.0 134,-0.0 0.389 360.0-128.2-114.5 -2.1 44.3 -28.2 -35.4 3 354 A G + 0 0 70 1,-0.1 4,-0.1 2,-0.0 0, 0.0 0.912 45.7 162.9 57.2 49.3 43.1 -28.9 -31.8 4 355 A L + 0 0 61 1,-0.1 -1,-0.1 129,-0.1 133,-0.0 0.681 58.2 51.1 -75.3 -20.1 39.5 -29.5 -32.8 5 356 A V S S- 0 0 20 132,-0.0 -1,-0.1 13,-0.0 10,-0.1 -0.979 89.1-115.3-128.3 123.1 38.5 -31.2 -29.5 6 357 A P - 0 0 107 0, 0.0 8,-0.1 0, 0.0 -2,-0.1 -0.253 33.4-115.2 -55.5 130.0 39.2 -29.8 -26.0 7 358 A R + 0 0 96 1,-0.1 3,-0.0 -4,-0.1 0, 0.0 -0.324 69.7 105.8 -59.4 147.6 41.6 -31.9 -23.9 8 359 A G S S- 0 0 56 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.634 78.0 -47.9 139.3 58.9 39.9 -33.4 -20.8 9 360 A S S S+ 0 0 95 4,-0.0 5,-0.1 5,-0.0 0, 0.0 0.610 112.7 38.4 75.4 139.7 39.1 -37.1 -20.5 10 361 A H > + 0 0 156 3,-0.1 4,-2.5 4,-0.1 5,-0.2 0.927 65.7 167.7 54.7 48.9 37.3 -39.5 -22.9 11 362 A M H > S+ 0 0 74 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.924 70.3 51.3 -59.1 -46.0 39.0 -37.8 -25.8 12 363 A T H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 111.9 45.3 -61.0 -45.6 38.0 -40.6 -28.3 13 364 A R H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 115.5 48.0 -63.7 -41.1 34.3 -40.5 -27.3 14 365 A R H X S+ 0 0 38 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.871 108.9 53.9 -68.4 -35.1 34.4 -36.7 -27.5 15 366 A T H X S+ 0 0 6 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.920 109.3 48.3 -62.6 -41.0 36.2 -36.8 -30.9 16 367 A I H X S+ 0 0 73 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.896 108.8 54.8 -66.3 -38.4 33.4 -39.0 -32.2 17 368 A F H X S+ 0 0 111 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.940 109.7 45.7 -55.8 -52.7 30.8 -36.6 -30.8 18 369 A E H X S+ 0 0 51 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.866 111.6 53.9 -58.8 -38.2 32.4 -33.7 -32.7 19 370 A L H X S+ 0 0 11 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.931 109.7 45.7 -64.4 -44.8 32.6 -35.8 -35.8 20 371 A R H X S+ 0 0 134 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.852 114.0 48.4 -71.6 -32.3 28.9 -36.7 -35.8 21 372 A K H X S+ 0 0 43 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.894 110.8 52.3 -67.3 -41.5 27.8 -33.1 -35.1 22 373 A A H X S+ 0 0 12 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.872 107.8 50.9 -64.5 -38.3 30.1 -31.8 -37.9 23 374 A R H X S+ 0 0 39 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.908 110.7 48.6 -66.0 -43.5 28.6 -34.2 -40.4 24 375 A D H X S+ 0 0 56 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.917 114.5 45.4 -61.1 -44.6 25.0 -33.1 -39.5 25 376 A R H X S+ 0 0 67 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.890 112.1 51.3 -67.4 -37.0 26.0 -29.5 -39.8 26 377 A A H X S+ 0 0 4 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.835 103.2 61.0 -71.0 -30.2 27.9 -30.1 -43.1 27 378 A H H X S+ 0 0 7 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.937 108.0 42.3 -59.1 -45.7 24.8 -31.8 -44.5 28 379 A I H >X S+ 0 0 28 -4,-1.4 4,-2.0 1,-0.2 3,-0.6 0.967 114.4 50.1 -66.1 -50.2 22.7 -28.7 -44.1 29 380 A L H 3X S+ 0 0 8 -4,-2.1 4,-2.7 1,-0.3 -1,-0.2 0.791 105.8 58.2 -60.5 -30.3 25.4 -26.3 -45.4 30 381 A E H 3X S+ 0 0 24 -4,-1.9 4,-2.2 2,-0.2 -1,-0.3 0.897 105.3 49.5 -66.7 -42.5 25.9 -28.6 -48.4 31 382 A G H < S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 7,-0.2 0.914 110.1 51.7 -65.8 -42.0 20.9 -24.1 -53.7 36 387 A L H >< S+ 0 0 7 -4,-3.1 3,-0.6 1,-0.3 -1,-0.2 0.746 105.6 56.3 -68.6 -19.1 23.1 -21.1 -53.9 37 388 A A T 3< S+ 0 0 26 -4,-1.1 -1,-0.3 1,-0.2 31,-0.3 0.600 118.4 33.6 -82.9 -11.5 24.8 -22.6 -56.9 38 389 A N T <> S+ 0 0 17 -3,-1.4 4,-2.5 -4,-0.4 5,-0.2 -0.167 77.6 142.8-130.4 38.5 21.4 -22.9 -58.6 39 390 A I H <> + 0 0 10 -3,-0.6 4,-2.8 1,-0.2 5,-0.2 0.817 65.7 51.2 -70.7 -33.5 19.6 -19.8 -57.2 40 391 A D H > S+ 0 0 95 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.949 117.0 39.4 -62.2 -53.1 17.6 -18.7 -60.2 41 392 A E H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.836 115.2 54.0 -66.6 -34.4 16.0 -22.1 -60.8 42 393 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 -7,-0.2 -2,-0.2 0.945 112.3 44.3 -63.1 -43.7 15.7 -22.7 -57.1 43 394 A I H X S+ 0 0 7 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.911 111.1 53.1 -71.0 -40.0 13.8 -19.4 -56.8 44 395 A E H X S+ 0 0 107 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.921 107.5 52.7 -56.3 -47.1 11.6 -20.1 -59.9 45 396 A L H < S+ 0 0 30 -4,-2.3 4,-0.3 2,-0.2 -1,-0.2 0.914 111.7 45.4 -53.6 -45.1 10.6 -23.4 -58.4 46 397 A I H >< S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.2 205,-0.3 0.946 111.3 51.0 -70.2 -45.6 9.5 -21.7 -55.1 47 398 A K H 3< S+ 0 0 62 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.801 109.4 54.4 -55.0 -30.9 7.6 -18.9 -56.9 48 399 A N T 3< S+ 0 0 128 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.471 93.5 84.5 -89.5 -3.2 5.9 -21.6 -58.9 49 400 A A < - 0 0 11 -3,-1.7 202,-2.7 -4,-0.3 203,-0.1 -0.792 70.0-145.0 -97.5 144.1 4.6 -23.5 -55.8 50 401 A P S S+ 0 0 57 0, 0.0 202,-3.7 0, 0.0 203,-0.4 0.828 80.7 18.6 -73.6 -34.3 1.4 -22.5 -54.0 51 402 A T S > S- 0 0 36 200,-0.2 4,-2.1 201,-0.1 5,-0.2 -0.895 77.0-111.5-137.3 161.5 2.6 -23.3 -50.5 52 403 A P H > S+ 0 0 14 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.860 118.7 56.0 -60.6 -34.5 5.9 -23.9 -48.6 53 404 A A H > S+ 0 0 68 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.917 109.2 45.0 -65.7 -43.3 4.9 -27.6 -48.3 54 405 A E H > S+ 0 0 115 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.820 112.4 52.2 -69.3 -30.7 4.5 -28.0 -52.1 55 406 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.935 107.7 51.2 -69.0 -42.6 7.8 -26.1 -52.6 56 407 A K H X S+ 0 0 63 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.915 111.1 49.5 -58.3 -42.5 9.6 -28.4 -50.2 57 408 A E H X S+ 0 0 108 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.886 111.3 48.3 -60.7 -44.4 8.1 -31.4 -52.2 58 409 A G H >< S+ 0 0 20 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.904 106.5 57.8 -63.6 -41.5 9.3 -29.9 -55.5 59 410 A L H 3< S+ 0 0 0 -4,-2.9 3,-0.4 1,-0.2 40,-0.4 0.868 113.9 37.1 -59.4 -38.1 12.8 -29.2 -54.2 60 411 A I H 3< S+ 0 0 47 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.559 102.3 72.6 -91.4 -10.9 13.4 -32.9 -53.3 61 412 A S S << S+ 0 0 78 -4,-0.9 2,-0.3 -3,-0.6 -1,-0.2 0.280 98.4 40.5 -97.3 15.4 11.6 -34.5 -56.2 62 413 A R S S- 0 0 81 -3,-0.4 37,-0.4 -4,-0.2 2,-0.2 -0.987 85.2 -98.3-152.9 160.3 14.1 -33.7 -58.9 63 414 A G - 0 0 8 -2,-0.3 2,-0.4 35,-0.1 35,-0.2 -0.509 32.0-141.2 -81.4 148.9 17.9 -33.6 -59.4 64 415 A W B -A 97 0A 0 33,-1.8 33,-2.7 -2,-0.2 2,-0.1 -0.877 19.4-111.3-111.2 140.1 19.9 -30.4 -59.2 65 416 A D - 0 0 80 -2,-0.4 31,-0.1 31,-0.2 -28,-0.1 -0.393 24.0-134.8 -57.8 142.3 22.9 -29.3 -61.3 66 417 A L > + 0 0 12 29,-0.5 3,-1.7 1,-0.2 4,-0.1 0.796 45.5 161.5 -73.7 -29.0 26.1 -29.3 -59.2 67 418 A G G > + 0 0 45 1,-0.2 3,-1.8 2,-0.2 4,-0.2 -0.112 63.8 1.6 50.5-138.4 27.1 -25.9 -60.6 68 419 A N G 3 S+ 0 0 108 1,-0.3 -1,-0.2 -31,-0.3 3,-0.2 0.570 135.5 50.9 -50.7 -25.7 29.7 -23.9 -58.6 69 420 A V G <> S+ 0 0 1 -3,-1.7 4,-2.6 1,-0.1 3,-0.4 0.360 73.6 108.1-105.5 7.1 30.1 -26.7 -56.0 70 421 A A H <> S+ 0 0 27 -3,-1.8 4,-2.1 1,-0.2 5,-0.1 0.865 77.8 52.2 -52.7 -45.4 30.7 -29.7 -58.3 71 422 A S H 4 S+ 0 0 90 -4,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.896 114.0 43.1 -65.2 -38.4 34.4 -30.1 -57.5 72 423 A M H >4 S+ 0 0 28 -3,-0.4 3,-1.2 1,-0.2 6,-0.3 0.940 114.2 50.0 -69.4 -47.1 33.7 -30.2 -53.7 73 424 A L H 3< S+ 0 0 11 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.797 109.8 50.6 -61.6 -34.0 30.7 -32.5 -54.0 74 425 A E T 3< S+ 0 0 129 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.445 82.7 115.8 -87.8 -3.9 32.4 -35.0 -56.1 75 426 A R S X> S- 0 0 88 -3,-1.2 4,-1.5 -4,-0.3 3,-0.6 -0.457 71.1-130.4 -68.8 141.1 35.5 -35.4 -53.8 76 427 A A H 3> S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.829 109.9 55.6 -58.4 -34.0 35.9 -38.8 -52.3 77 428 A G H 3> S+ 0 0 51 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.825 102.2 56.1 -66.0 -33.4 36.3 -37.1 -48.9 78 429 A T H <4 S+ 0 0 8 -3,-0.6 4,-0.3 -6,-0.3 3,-0.2 0.863 106.0 49.8 -71.1 -37.2 33.0 -35.3 -49.3 79 430 A D H >< S+ 0 0 60 -4,-1.5 3,-1.7 1,-0.2 -2,-0.2 0.936 108.9 53.2 -62.2 -45.1 31.2 -38.6 -49.8 80 431 A A H 3< S+ 0 0 40 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.722 103.2 60.0 -62.2 -19.6 33.0 -39.9 -46.6 81 432 A A T 3< S+ 0 0 5 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.531 79.0 112.0 -86.9 -7.0 31.6 -36.8 -44.8 82 433 A R S < S- 0 0 134 -3,-1.7 -58,-0.1 -4,-0.3 -59,-0.1 -0.357 82.3 -98.1 -65.6 144.5 27.9 -37.7 -45.4 83 434 A P > - 0 0 3 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.408 28.1-131.4 -60.8 141.0 25.9 -38.6 -42.3 84 435 A D T 3 S+ 0 0 106 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.571 104.4 65.2 -77.1 -6.1 25.7 -42.4 -42.1 85 436 A W T 3 S+ 0 0 112 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.502 78.8 110.4 -84.4 -5.0 21.9 -42.3 -41.6 86 437 A L < - 0 0 30 -3,-1.6 -4,-0.0 1,-0.1 14,-0.0 -0.591 68.9-130.0 -79.3 120.3 21.6 -40.9 -45.1 87 438 A E > - 0 0 124 -2,-0.5 3,-1.7 1,-0.1 -1,-0.1 -0.229 20.6-111.8 -65.8 155.9 20.0 -43.3 -47.6 88 439 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.678 110.4 71.7 -64.3 -18.8 21.6 -44.1 -51.0 89 440 A E T 3 S+ 0 0 53 4,-0.0 2,-0.2 0, 0.0 4,-0.0 0.592 90.7 76.1 -73.0 -7.8 18.8 -42.3 -52.9 90 441 A F S < S+ 0 0 70 -3,-1.7 2,-0.3 2,-0.1 9,-0.2 -0.648 83.1 22.7-106.0 161.4 20.2 -38.9 -51.7 91 442 A G E S+B 98 0A 10 7,-2.6 7,-2.9 -2,-0.2 2,-0.4 -0.636 111.9 7.0 82.1-146.3 23.2 -36.9 -52.7 92 443 A I E +B 97 0A 70 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.573 61.2 164.1 -83.2 125.0 24.7 -37.4 -56.2 93 444 A R E > S-B 96 0A 101 3,-3.3 3,-1.2 -2,-0.4 -2,-0.1 -0.945 72.2 -18.0-137.9 117.1 23.0 -39.6 -58.7 94 445 A E T 3 S- 0 0 195 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.899 128.7 -47.3 55.9 47.4 23.8 -39.5 -62.5 95 446 A G T 3 S+ 0 0 47 1,-0.2 -29,-0.5 -30,-0.0 2,-0.3 0.365 122.5 95.6 83.4 -3.6 25.5 -36.1 -62.3 96 447 A K E < - B 0 93A 91 -3,-1.2 -3,-3.3 -31,-0.1 2,-0.5 -0.872 69.7-121.8-124.7 154.4 22.8 -34.5 -60.3 97 448 A Y E -AB 64 92A 3 -33,-2.7 -33,-1.8 -2,-0.3 2,-0.6 -0.783 15.2-155.7-101.9 132.2 22.2 -33.8 -56.6 98 449 A F E - B 0 91A 38 -7,-2.9 -7,-2.6 -2,-0.5 -35,-0.1 -0.901 15.7-145.7-110.4 117.1 19.2 -35.1 -54.7 99 450 A L - 0 0 0 -2,-0.6 2,-0.2 -40,-0.4 -37,-0.1 -0.396 6.2-130.8 -79.8 152.4 18.2 -33.1 -51.6 100 451 A T > - 0 0 2 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.542 31.0-106.3 -89.9 167.8 16.7 -34.4 -48.3 101 452 A E H > S+ 0 0 38 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.845 120.6 55.5 -60.2 -32.5 13.6 -32.9 -46.7 102 453 A Q H > S+ 0 0 103 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.899 109.0 44.5 -73.2 -39.4 15.9 -31.4 -44.0 103 454 A Q H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.897 112.6 52.3 -73.6 -31.7 18.1 -29.6 -46.5 104 455 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.884 106.9 54.1 -66.6 -39.3 15.0 -28.4 -48.5 105 456 A Q H X S+ 0 0 15 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.899 108.5 48.5 -60.0 -43.9 13.5 -27.0 -45.3 106 457 A A H >< S+ 0 0 7 -4,-1.7 3,-0.6 1,-0.2 4,-0.4 0.890 107.7 54.9 -67.3 -36.5 16.7 -25.0 -44.6 107 458 A I H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 139,-0.3 0.935 106.2 51.9 -58.6 -44.0 16.7 -23.7 -48.2 108 459 A L H 3< S+ 0 0 1 -4,-2.0 139,-2.0 1,-0.3 -1,-0.2 0.702 107.7 53.8 -64.6 -22.0 13.1 -22.4 -47.7 109 460 A E T << S+ 0 0 1 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.422 80.8 117.7 -97.8 -0.6 14.2 -20.6 -44.6 110 461 A L < - 0 0 0 -3,-1.6 136,-2.3 -4,-0.4 2,-0.3 -0.389 62.9-130.6 -58.5 141.6 17.1 -18.7 -46.3 111 462 A R B > -C 245 0B 5 134,-0.2 3,-2.3 135,-0.1 4,-0.2 -0.758 19.4-114.8 -94.0 148.5 16.7 -14.9 -46.2 112 463 A L G > S+ 0 0 5 132,-2.2 3,-2.2 -2,-0.3 4,-0.2 0.786 111.3 65.8 -53.1 -33.4 17.1 -12.9 -49.4 113 464 A H G > S+ 0 0 13 129,-1.9 3,-1.3 1,-0.3 6,-0.3 0.676 83.6 75.7 -70.1 -10.7 20.3 -11.1 -48.2 114 465 A R G < S+ 0 0 14 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.666 84.6 67.8 -64.5 -18.1 22.1 -14.5 -48.2 115 466 A L G < S+ 0 0 6 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 0.589 75.8 106.5 -79.2 -12.3 22.1 -14.0 -52.0 116 467 A T S <> S- 0 0 0 -3,-1.3 4,-2.5 -4,-0.2 5,-0.2 -0.317 86.2-109.1 -64.5 154.5 24.6 -11.1 -51.7 117 468 A G H > S+ 0 0 36 66,-2.5 4,-2.2 63,-0.3 68,-0.2 0.904 115.0 44.8 -52.7 -49.4 28.1 -11.9 -52.8 118 469 A L H > S+ 0 0 92 66,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.825 114.6 47.9 -69.0 -36.4 29.7 -11.8 -49.3 119 470 A E H > S+ 0 0 31 -6,-0.3 4,-1.2 65,-0.3 -1,-0.2 0.878 110.6 51.3 -72.2 -38.8 27.0 -13.8 -47.7 120 471 A H H >X S+ 0 0 40 -4,-2.5 4,-1.7 1,-0.2 3,-0.5 0.940 111.1 49.5 -61.9 -44.3 27.0 -16.5 -50.4 121 472 A E H 3X S+ 0 0 40 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.863 105.1 57.1 -61.8 -39.4 30.8 -16.8 -50.0 122 473 A K H 3X S+ 0 0 105 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.792 105.2 51.9 -65.7 -25.1 30.5 -17.1 -46.2 123 474 A I H < S+ 0 0 143 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.880 104.6 55.7 -68.7 -39.2 42.0 -39.3 -39.7 140 491 A I H 3< S+ 0 0 80 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.876 112.8 43.3 -55.7 -39.0 42.5 -39.0 -35.9 141 492 A L T 3< S+ 0 0 47 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.377 89.9 89.8 -89.9 4.7 40.1 -41.9 -35.4 142 493 A A < 0 0 78 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.1 0.278 360.0 360.0 -89.2 13.3 41.5 -44.1 -38.3 143 494 A S 0 0 148 -3,-0.5 -3,-0.0 -4,-0.0 0, 0.0 -0.713 360.0 360.0-120.0 360.0 44.1 -45.8 -36.1 144 !* 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 0.0 145 362 B M > 0 0 113 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -40.5 -9.8 3.8 -25.1 146 363 B T H > + 0 0 94 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.912 360.0 50.7 -68.3 -40.5 -9.4 6.8 -27.4 147 364 B R H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 107.0 57.0 -59.9 -38.7 -5.6 6.6 -26.7 148 365 B R H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.915 108.2 43.8 -60.0 -46.0 -5.8 2.9 -27.6 149 366 B T H X S+ 0 0 21 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.840 110.7 54.3 -75.1 -28.4 -7.2 3.5 -31.1 150 367 B I H X S+ 0 0 78 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.908 111.1 48.3 -65.6 -41.5 -4.8 6.4 -31.8 151 368 B F H X S+ 0 0 65 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.933 111.4 48.0 -60.9 -50.4 -2.1 3.9 -30.9 152 369 B E H X S+ 0 0 85 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.860 109.3 54.8 -61.3 -34.8 -3.6 1.2 -33.2 153 370 B L H X S+ 0 0 19 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.943 107.7 49.6 -62.3 -47.6 -3.9 3.8 -36.0 154 371 B R H X S+ 0 0 110 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.914 114.7 43.3 -56.2 -46.4 -0.2 4.6 -35.8 155 372 B K H X S+ 0 0 19 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.829 109.4 56.4 -75.6 -28.6 0.9 0.9 -35.9 156 373 B A H X S+ 0 0 4 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.897 109.0 48.3 -67.7 -39.4 -1.6 0.0 -38.7 157 374 B R H X S+ 0 0 48 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.890 111.4 48.5 -65.7 -42.6 0.0 2.7 -40.8 158 375 B D H X S+ 0 0 45 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.882 115.0 46.8 -63.0 -40.4 3.6 1.6 -40.1 159 376 B R H X S+ 0 0 30 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.895 110.0 51.0 -69.8 -43.4 2.6 -2.0 -40.9 160 377 B A H X S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.837 108.0 56.1 -62.3 -33.5 0.8 -1.0 -44.1 161 378 B H H X S+ 0 0 7 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.929 108.5 44.6 -64.6 -47.6 3.9 0.8 -45.1 162 379 B I H X S+ 0 0 29 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.932 114.8 49.3 -63.0 -45.4 6.2 -2.2 -44.7 163 380 B L H X S+ 0 0 4 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.837 106.0 57.3 -62.5 -33.8 3.6 -4.4 -46.5 164 381 B E H X S+ 0 0 17 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.905 107.1 48.5 -65.2 -41.7 3.3 -1.9 -49.4 165 382 B G H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.868 110.2 51.2 -63.3 -41.0 7.1 -2.2 -50.0 166 383 B L H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.901 108.4 52.1 -63.1 -42.1 6.9 -6.0 -50.0 167 384 B A H < S+ 0 0 0 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.852 111.2 47.5 -62.1 -37.5 4.0 -5.9 -52.5 168 385 B L H >< S+ 0 0 0 -4,-1.6 3,-0.7 2,-0.2 4,-0.3 0.922 113.2 47.8 -69.2 -45.1 6.1 -3.7 -54.8 169 386 B A H >< S+ 0 0 5 -4,-2.4 3,-2.1 1,-0.2 7,-0.3 0.940 110.1 51.5 -58.2 -51.8 9.2 -5.9 -54.4 170 387 B L T 3< S+ 0 0 10 -4,-3.0 3,-0.3 1,-0.3 -1,-0.2 0.581 106.3 55.2 -67.4 -10.8 7.2 -9.0 -55.1 171 388 B A T < S+ 0 0 36 -3,-0.7 31,-0.3 -4,-0.5 -1,-0.3 0.443 115.9 39.0 -93.2 -3.9 5.8 -7.4 -58.3 172 389 B N S <> S+ 0 0 18 -3,-2.1 4,-2.7 -4,-0.3 3,-0.3 -0.084 76.3 140.4-131.1 33.8 9.4 -6.8 -59.4 173 390 B I H > + 0 0 18 -3,-0.3 4,-2.9 1,-0.2 5,-0.2 0.828 67.6 50.8 -53.0 -49.2 10.9 -10.1 -58.2 174 391 B D H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.931 116.2 40.7 -53.9 -52.5 13.3 -10.8 -61.1 175 392 B E H > S+ 0 0 74 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.866 114.1 53.8 -69.4 -37.6 14.9 -7.3 -61.0 176 393 B I H X S+ 0 0 5 -4,-2.7 4,-2.5 -7,-0.3 -2,-0.2 0.967 111.8 44.9 -58.7 -53.2 15.0 -7.4 -57.1 177 394 B I H X S+ 0 0 11 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.920 111.5 51.9 -57.1 -48.8 16.8 -10.7 -57.1 178 395 B E H X S+ 0 0 120 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.917 111.4 48.2 -55.6 -43.4 19.3 -9.7 -59.9 179 396 B L H X S+ 0 0 17 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.930 113.2 46.8 -63.7 -45.7 20.1 -6.5 -57.9 180 397 B I H >< S+ 0 0 0 -4,-2.5 3,-0.7 1,-0.2 -63,-0.3 0.938 111.1 51.1 -62.5 -48.7 20.6 -8.4 -54.6 181 398 B K H 3< S+ 0 0 82 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.790 110.6 50.9 -54.2 -34.0 22.8 -11.1 -56.3 182 399 B N H 3< S+ 0 0 120 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.677 90.8 93.2 -82.4 -19.1 25.0 -8.3 -57.8 183 400 B A << - 0 0 9 -4,-1.0 -66,-2.5 -3,-0.7 -65,-0.2 -0.603 68.6-146.0 -78.7 133.9 25.5 -6.5 -54.5 184 401 B P S S+ 0 0 56 0, 0.0 -66,-3.0 0, 0.0 -65,-0.3 0.827 80.8 12.4 -63.7 -34.0 28.7 -7.5 -52.5 185 402 B T S > S- 0 0 30 -68,-0.2 4,-2.0 -67,-0.1 5,-0.2 -0.885 79.2-106.3-142.9 163.5 27.0 -7.0 -49.1 186 403 B P H > S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.871 119.2 57.0 -63.4 -32.8 23.5 -6.5 -47.6 187 404 B A H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.933 108.5 44.2 -61.9 -48.8 24.4 -2.8 -47.0 188 405 B E H > S+ 0 0 105 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.837 112.4 53.5 -64.1 -33.5 25.1 -2.2 -50.7 189 406 B A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.928 108.2 50.3 -66.4 -41.6 22.0 -4.1 -51.7 190 407 B K H X S+ 0 0 47 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.924 110.1 49.9 -59.7 -45.9 19.9 -1.9 -49.4 191 408 B E H X S+ 0 0 97 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.828 110.0 50.5 -62.7 -35.4 21.5 1.2 -51.0 192 409 B G H < S+ 0 0 19 -4,-1.8 -1,-0.2 1,-0.2 4,-0.2 0.846 107.7 54.8 -69.9 -33.9 20.7 -0.1 -54.5 193 410 B L H < S+ 0 0 0 -4,-1.9 40,-0.5 1,-0.2 3,-0.4 0.854 115.1 36.8 -67.7 -36.3 17.0 -0.8 -53.4 194 411 B I H < S+ 0 0 38 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.650 106.0 67.8 -93.7 -17.1 16.4 2.7 -52.3 195 412 B S S < S+ 0 0 80 -4,-1.1 2,-0.3 -5,-0.2 -1,-0.2 0.343 96.7 54.0 -93.4 10.0 18.4 4.6 -54.9 196 413 B R S S- 0 0 90 -3,-0.4 37,-0.4 -4,-0.2 2,-0.3 -0.972 82.5-112.0-136.3 153.8 16.2 3.8 -57.9 197 414 B G - 0 0 17 -2,-0.3 2,-0.4 35,-0.1 35,-0.2 -0.626 31.7-141.5 -79.9 144.4 12.6 4.2 -58.8 198 415 B W E -D 231 0C 1 33,-2.1 33,-2.8 -2,-0.3 2,-0.2 -0.903 15.5-116.4-109.8 137.5 10.6 0.9 -59.1 199 416 B D E -D 230 0C 96 -2,-0.4 31,-0.1 31,-0.2 -28,-0.1 -0.471 18.5-138.9 -66.5 134.9 7.9 0.2 -61.8 200 417 B L > + 0 0 17 29,-0.6 3,-1.4 -2,-0.2 -1,-0.1 0.756 42.6 166.4 -71.1 -24.6 4.5 -0.3 -60.0 201 418 B G G > - 0 0 31 1,-0.3 3,-1.9 2,-0.2 4,-0.2 -0.065 62.1 -3.3 52.7-138.5 3.7 -3.2 -62.5 202 419 B N G 3 S+ 0 0 75 -31,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.683 134.0 57.3 -61.7 -20.3 0.8 -5.6 -61.7 203 420 B V G <> S+ 0 0 10 -3,-1.4 4,-2.1 1,-0.2 -1,-0.3 0.338 72.3 105.3 -94.9 12.3 0.2 -3.8 -58.4 204 421 B A H <> S+ 0 0 36 -3,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.895 80.7 48.9 -55.1 -45.0 -0.3 -0.3 -59.9 205 422 B S H 4 S+ 0 0 98 -3,-0.3 -1,-0.2 -4,-0.2 4,-0.2 0.846 110.4 51.7 -66.2 -34.5 -4.1 -0.5 -59.3 206 423 B M H >4 S+ 0 0 18 -3,-0.2 3,-1.0 -4,-0.2 -1,-0.2 0.898 109.4 47.3 -70.3 -41.7 -3.7 -1.6 -55.7 207 424 B L H 3< S+ 0 0 5 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.651 108.1 57.5 -76.6 -15.0 -1.4 1.2 -54.7 208 425 B E T 3< S+ 0 0 89 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.388 77.0 128.0 -95.0 0.3 -3.5 3.9 -56.4 209 426 B R S X S- 0 0 66 -3,-1.0 3,-1.8 -4,-0.2 4,-0.4 -0.201 72.0-113.5 -56.5 151.2 -6.7 3.0 -54.3 210 427 B A G > S+ 0 0 102 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.875 113.2 55.3 -57.0 -43.5 -8.3 5.9 -52.6 211 428 B G G 3> S+ 0 0 34 1,-0.2 4,-0.7 2,-0.1 -1,-0.3 0.351 84.9 85.9 -76.0 5.9 -7.5 4.7 -49.0 212 429 B T G <4 S+ 0 0 22 -3,-1.8 3,-0.4 2,-0.2 -1,-0.2 0.872 83.6 56.1 -73.1 -38.1 -3.8 4.5 -49.8 213 430 B D T X4 S+ 0 0 80 -3,-0.9 3,-1.3 -4,-0.4 -1,-0.2 0.906 106.0 49.9 -60.8 -44.2 -3.1 8.2 -48.9 214 431 B A T 34 S+ 0 0 40 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.763 101.4 64.4 -66.5 -24.8 -4.6 7.9 -45.4 215 432 B A T 3< S+ 0 0 5 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.377 77.8 111.3 -82.4 2.9 -2.5 4.8 -44.7 216 433 B R S < S- 0 0 82 -3,-1.3 -58,-0.1 -4,-0.1 -59,-0.1 -0.641 72.6-118.1 -83.6 130.9 0.7 6.8 -44.9 217 434 B P > - 0 0 7 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.385 17.3-125.1 -69.7 148.4 2.7 7.3 -41.7 218 435 B D T 3 S+ 0 0 103 1,-0.3 -2,-0.0 -2,-0.1 -64,-0.0 0.645 108.0 58.8 -71.9 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