==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA-BINDING PROTEIN 20-FEB-96 1BGW . COMPND 2 MOLECULE: TOPOISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR J.M.BERGER,S.J.GAMBLIN,S.C.HARRISON,J.C.WANG . 679 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 475 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 50 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 4 1 0 0 1 0 3 0 4 2 1 1 0 0 1 0 0 0 1 0 0 1 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 5 2 0 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 5 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 1 420 A R 0 0 222 0, 0.0 2,-0.8 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 90.3 69.8 117.9 45.8 2 421 A K - 0 0 53 17,-0.1 2,-0.3 18,-0.0 17,-0.2 -0.853 360.0-154.0-101.2 107.4 68.9 114.5 46.9 3 422 A S - 0 0 67 15,-2.4 2,-0.4 -2,-0.8 0, 0.0 -0.650 31.8-145.4 -67.8 131.4 69.0 111.8 44.2 4 423 A R - 0 0 188 -2,-0.3 2,-0.6 9,-0.0 14,-0.1 -0.883 11.5-134.7-113.8 143.7 66.4 109.4 45.7 5 424 A I + 0 0 44 -2,-0.4 8,-0.1 1,-0.1 6,-0.0 -0.844 29.4 166.8 -90.3 120.0 66.2 105.6 45.8 6 425 A T + 0 0 120 -2,-0.6 -1,-0.1 1,-0.1 0, 0.0 0.739 63.9 56.8-106.0 -29.4 62.7 104.5 44.9 7 426 A N S S+ 0 0 109 1,-0.2 -1,-0.1 2,-0.0 72,-0.0 0.503 89.0 77.0 -88.0 1.1 62.9 100.8 44.2 8 427 A Y > + 0 0 43 1,-0.2 3,-2.0 71,-0.1 -1,-0.2 -0.654 50.4 176.1-117.7 84.4 64.4 99.6 47.4 9 428 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.758 79.2 55.9 -50.5 -38.6 61.7 99.5 50.2 10 429 A K T 3 S+ 0 0 140 45,-0.1 2,-0.2 2,-0.1 -2,-0.0 0.489 83.6 107.4 -78.1 -5.8 64.0 98.0 52.8 11 430 A L < - 0 0 24 -3,-2.0 2,-0.6 43,-0.1 43,-0.2 -0.548 52.9-162.0 -77.9 137.6 66.6 100.8 52.5 12 431 A E B -A 53 0A 77 41,-2.0 41,-1.9 -2,-0.2 2,-0.1 -0.924 26.6-153.0-117.8 87.9 66.9 103.4 55.4 13 432 A D - 0 0 29 -2,-0.6 2,-0.1 39,-0.2 38,-0.1 -0.371 15.8-108.7 -67.7 146.1 68.7 106.0 53.4 14 433 A A > - 0 0 0 1,-0.1 3,-1.2 36,-0.1 35,-0.2 -0.450 28.8-118.4 -71.1 150.9 71.0 108.5 55.1 15 434 A N T 3 S+ 0 0 91 33,-1.9 34,-0.2 1,-0.3 35,-0.2 0.875 116.3 38.1 -62.5 -29.4 69.6 112.0 55.2 16 435 A K T > S+ 0 0 71 33,-2.4 3,-1.5 32,-0.2 -1,-0.3 0.355 86.5 125.0-103.1 9.4 72.5 113.2 53.1 17 436 A A T < S+ 0 0 0 -3,-1.2 83,-0.2 1,-0.3 82,-0.1 -0.460 78.6 17.2 -70.9 135.3 72.9 110.2 50.9 18 437 A G T 3 S+ 0 0 8 81,-1.6 -15,-2.4 1,-0.3 -1,-0.3 0.696 109.0 103.1 78.9 16.1 72.8 111.0 47.2 19 438 A T S X S- 0 0 32 -3,-1.5 3,-1.9 80,-0.4 -1,-0.3 -0.497 97.1 -74.1-114.4-168.0 73.5 114.7 47.9 20 439 A K T 3 S+ 0 0 155 1,-0.3 3,-0.4 -2,-0.2 -3,-0.1 0.816 136.9 44.5 -55.7 -32.3 76.6 117.0 47.7 21 440 A E T > S+ 0 0 49 -5,-0.2 3,-3.4 1,-0.2 -1,-0.3 0.378 75.9 114.4 -96.9 6.2 77.9 115.2 50.8 22 441 A G G X S+ 0 0 0 -3,-1.9 3,-1.5 1,-0.3 79,-1.0 0.726 70.7 63.9 -49.4 -26.7 77.0 111.7 49.7 23 442 A Y G 3 S+ 0 0 25 -3,-0.4 -1,-0.3 77,-0.3 -2,-0.1 0.714 97.5 57.2 -70.4 -23.2 80.7 110.8 49.6 24 443 A K G < S+ 0 0 50 -3,-3.4 2,-0.3 -8,-0.1 -1,-0.3 0.282 91.8 98.7 -87.5 5.1 80.7 111.4 53.3 25 444 A C < - 0 0 0 -3,-1.5 77,-1.6 -4,-0.2 76,-1.2 -0.749 60.4-148.1-102.9 144.5 78.0 108.8 53.9 26 445 A T E -bc 51 102A 0 24,-2.6 26,-2.7 -2,-0.3 2,-0.8 -0.922 5.2-152.2-109.5 128.4 78.4 105.2 55.0 27 446 A L E -bc 52 103A 0 75,-2.4 77,-1.6 -2,-0.5 2,-0.8 -0.887 14.7-150.2 -99.6 106.3 76.0 102.6 53.8 28 447 A V E -bc 53 104A 0 24,-2.9 26,-1.8 -2,-0.8 2,-0.5 -0.686 9.5-161.3 -79.0 106.4 75.9 99.9 56.5 29 448 A L E -bc 54 105A 1 75,-3.5 77,-1.9 -2,-0.8 2,-0.4 -0.804 11.0-158.0 -88.5 127.4 75.1 96.6 54.8 30 449 A T E -bc 55 106A 0 24,-2.0 26,-2.8 -2,-0.5 2,-0.6 -0.862 11.1-146.5-113.3 148.0 73.8 93.9 57.3 31 450 A E E > -b 56 0A 10 75,-2.5 4,-0.6 -2,-0.4 77,-0.5 -0.913 63.0 -21.8-111.9 113.8 73.7 90.2 57.2 32 451 A G H > S- 0 0 4 24,-1.7 4,-1.6 -2,-0.6 3,-0.4 0.214 90.0 -65.1 74.9 165.0 70.8 88.4 58.9 33 452 A D H > S+ 0 0 84 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.892 128.2 49.7 -54.0 -53.5 68.5 89.5 61.6 34 453 A S H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.825 106.3 57.3 -60.2 -33.4 70.9 89.9 64.5 35 454 A A H X S+ 0 0 0 -4,-0.6 4,-2.5 -3,-0.4 -1,-0.2 0.928 105.8 51.6 -63.0 -42.2 73.3 92.0 62.4 36 455 A L H X S+ 0 0 46 -4,-1.6 4,-3.2 -3,-0.3 -2,-0.2 0.907 107.1 50.3 -61.0 -47.6 70.5 94.4 61.7 37 456 A S H X S+ 0 0 83 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.912 113.8 47.1 -57.4 -45.5 69.6 94.9 65.4 38 457 A L H X S+ 0 0 21 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.868 110.8 50.8 -64.3 -40.4 73.2 95.6 66.2 39 458 A A H X S+ 0 0 0 -4,-2.5 4,-3.8 2,-0.2 3,-0.4 0.976 109.9 50.9 -60.1 -52.2 73.6 97.9 63.3 40 459 A V H X S+ 0 0 59 -4,-3.2 4,-2.4 1,-0.3 -2,-0.2 0.873 110.0 50.5 -53.2 -41.8 70.5 99.8 64.5 41 460 A A H X S+ 0 0 25 -4,-2.2 4,-0.8 2,-0.2 -1,-0.3 0.873 112.8 44.0 -65.4 -40.9 72.0 100.0 67.9 42 461 A G H >X S+ 0 0 0 -4,-2.1 4,-1.3 -3,-0.4 3,-0.6 0.902 111.4 58.1 -70.0 -35.5 75.3 101.4 66.6 43 462 A L H 3X S+ 0 0 3 -4,-3.8 4,-2.2 1,-0.2 3,-0.4 0.898 95.2 61.6 -60.5 -42.9 73.2 103.6 64.4 44 463 A A H 3< S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.854 104.9 50.2 -52.4 -37.7 71.4 105.2 67.4 45 464 A V H << S+ 0 0 67 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.870 117.0 36.8 -71.2 -38.6 74.7 106.5 68.6 46 465 A V H < S- 0 0 24 -4,-1.3 4,-0.3 -3,-0.4 -2,-0.2 0.628 105.4-116.3 -95.1 -13.7 75.9 108.1 65.4 47 466 A G < - 0 0 33 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.1 -0.082 15.4-104.4 96.8 157.2 72.8 109.6 63.8 48 467 A R S S+ 0 0 83 1,-0.1 -33,-1.9 2,-0.1 -32,-0.2 0.379 99.2 89.9-101.9 3.1 71.0 108.8 60.5 49 468 A D S S+ 0 0 78 -35,-0.2 -33,-2.4 1,-0.2 -32,-0.2 0.957 105.0 16.6 -62.9 -50.2 72.3 111.9 58.8 50 469 A Y S S+ 0 0 48 -4,-0.3 -24,-2.6 -35,-0.2 2,-0.4 0.148 117.0 74.9-111.6 17.7 75.5 110.2 57.4 51 470 A Y E - b 0 26A 1 -26,-0.2 2,-0.3 -38,-0.1 -24,-0.2 -0.993 50.7-177.4-139.0 131.5 74.6 106.6 57.8 52 471 A G E - b 0 27A 0 -26,-2.7 -24,-2.9 -2,-0.4 2,-0.3 -0.725 10.7-155.4-115.6 170.3 72.2 104.4 55.7 53 472 A C E +Ab 12 28A 0 -41,-1.9 -41,-2.0 -2,-0.3 -24,-0.2 -0.983 13.8 175.2-153.6 131.5 71.4 100.8 56.3 54 473 A Y E - b 0 29A 25 -26,-1.8 -24,-2.0 -2,-0.3 2,-0.3 -0.991 21.0-141.3-139.3 128.2 70.1 98.0 54.0 55 474 A P E - b 0 30A 22 0, 0.0 2,-0.5 0, 0.0 -24,-0.2 -0.754 16.5-172.8 -97.2 145.9 69.7 94.4 55.1 56 475 A L E + b 0 31A 14 -26,-2.8 -24,-1.7 -2,-0.3 60,-0.1 -0.983 30.8 179.7-129.8 99.8 70.4 91.2 53.2 57 476 A R + 0 0 180 -2,-0.5 2,-0.6 -26,-0.2 -1,-0.0 0.180 26.5 94.2 -88.3-154.2 68.9 88.7 55.6 58 477 A G + 0 0 46 -27,-0.1 2,-0.5 2,-0.0 -25,-0.2 -0.901 21.8 165.1 123.5-115.1 68.6 84.9 55.3 59 478 A K + 0 0 41 -2,-0.6 2,-0.3 -27,-0.1 -27,-0.0 -0.824 18.2 180.0 89.4-114.2 71.0 82.3 56.8 60 479 A M - 0 0 167 -2,-0.5 2,-0.3 2,-0.0 -2,-0.0 -0.718 42.7 -46.6 109.2-164.7 69.3 78.8 56.8 61 480 A L S S+ 0 0 148 -2,-0.3 2,-0.1 3,-0.0 3,-0.1 -0.785 96.0 9.1-104.9 152.2 71.0 75.6 58.1 62 481 A N S S- 0 0 130 -2,-0.3 3,-0.0 1,-0.1 -2,-0.0 -0.422 71.6-103.4 86.9-163.6 74.5 74.3 57.4 63 482 A V S S+ 0 0 104 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.189 79.5 123.6-138.5 -3.9 77.5 75.8 55.6 64 483 A R + 0 0 220 -3,-0.1 2,-0.2 2,-0.0 -3,-0.0 -0.154 33.4 174.5 -70.0 156.9 76.9 73.7 52.4 65 484 A E + 0 0 142 1,-0.0 4,-0.1 2,-0.0 -3,-0.0 -0.851 27.8 121.7-164.4 118.7 76.3 74.7 48.7 66 485 A A S S+ 0 0 109 -2,-0.2 -1,-0.0 2,-0.2 -2,-0.0 0.470 70.9 57.8-146.4 -42.9 76.0 72.3 45.7 67 486 A S S S- 0 0 122 1,-0.2 -2,-0.0 2,-0.0 0, 0.0 0.401 96.9-138.0 -79.7 1.6 72.6 72.9 43.8 68 487 A A - 0 0 86 1,-0.1 -1,-0.2 2,-0.0 -2,-0.2 -0.055 26.6-168.8 70.4-176.3 73.3 76.6 43.2 69 488 A D + 0 0 112 -4,-0.1 4,-0.3 2,-0.0 -1,-0.1 0.118 21.4 150.6 149.8 100.2 71.1 79.7 43.5 70 489 A Q > + 0 0 108 2,-0.1 4,-2.2 3,-0.1 5,-0.3 0.434 46.9 98.3-128.1 1.9 72.1 83.1 42.2 71 490 A I H > S+ 0 0 144 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.923 96.3 47.7 -55.4 -34.2 69.0 85.0 41.3 72 491 A L H >> S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 3,-0.7 0.991 107.2 49.1 -66.3 -69.8 69.5 86.5 44.7 73 492 A K H 3> S+ 0 0 64 -4,-0.3 4,-2.3 1,-0.2 5,-0.2 0.849 109.7 55.8 -38.9 -47.0 73.2 87.4 44.6 74 493 A N H 3X S+ 0 0 93 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.912 112.6 39.5 -54.1 -52.0 72.7 89.2 41.3 75 494 A A H S+ 0 0 37 -4,-2.3 4,-2.6 2,-0.2 5,-2.5 0.985 115.3 40.4 -63.6 -59.3 75.1 99.6 43.1 82 501 A K H <5S+ 0 0 89 -4,-2.9 3,-0.3 1,-0.2 -2,-0.2 0.962 118.9 48.2 -53.6 -53.7 71.9 101.7 42.8 83 502 A I H <5S+ 0 0 1 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.876 116.3 40.8 -57.4 -43.7 72.0 102.6 46.4 84 503 A M H <5S- 0 0 0 -4,-2.8 15,-2.3 -5,-0.3 16,-1.7 0.754 112.0-116.2 -80.4 -20.1 75.7 103.6 46.5 85 504 A G T ><5 + 0 0 6 -4,-2.6 3,-0.5 -3,-0.3 -3,-0.2 0.824 56.8 159.4 88.8 35.4 75.5 105.4 43.2 86 505 A L T 3 < + 0 0 4 -5,-2.5 -1,-0.2 -6,-0.2 42,-0.0 -0.392 57.8 47.4 -84.4 169.4 77.9 103.1 41.3 87 506 A Q T 3 S+ 0 0 121 2,-0.2 -1,-0.2 -2,-0.1 -5,-0.0 0.476 103.6 82.0 72.6 0.7 77.9 102.9 37.5 88 507 A H S < S+ 0 0 146 -3,-0.5 2,-0.4 2,-0.0 -2,-0.2 0.346 76.5 68.7-113.9 -3.3 77.8 106.7 38.2 89 508 A R S S- 0 0 19 4,-0.1 2,-0.4 7,-0.0 -2,-0.2 -0.930 83.1-123.9-117.4 140.9 81.5 107.2 38.8 90 509 A K > - 0 0 160 -2,-0.4 3,-2.1 4,-0.1 7,-0.1 -0.764 43.2 -94.8 -82.5 130.8 84.1 106.9 36.0 91 510 A K T 3 S+ 0 0 123 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 -0.066 111.4 24.6 -41.7 143.3 86.8 104.3 36.8 92 511 A Y T 3 S+ 0 0 117 1,-0.2 -1,-0.2 -3,-0.1 220,-0.1 0.236 100.1 108.7 81.4 -16.8 89.9 106.0 38.4 93 512 A E < - 0 0 94 -3,-2.1 2,-0.2 1,-0.1 -1,-0.2 0.285 67.1-109.7 -68.4-153.2 88.0 109.0 39.6 94 513 A D > - 0 0 69 -3,-0.1 2,-0.7 40,-0.0 3,-0.6 -0.721 37.2 -72.8-132.8-175.1 87.2 109.6 43.3 95 514 A T T 3 S+ 0 0 18 -2,-0.2 -72,-0.1 1,-0.2 6,-0.1 -0.749 92.6 88.8 -89.4 109.9 84.3 109.6 45.6 96 515 A K T 3 S+ 0 0 85 -2,-0.7 -1,-0.2 4,-0.1 -73,-0.2 0.093 77.9 62.6-167.8 -34.3 82.0 112.6 44.9 97 516 A S S < S+ 0 0 46 -3,-0.6 2,-0.2 -75,-0.1 -2,-0.1 0.324 90.9 93.3 -87.3 8.1 79.7 111.3 42.2 98 517 A L S S- 0 0 5 1,-0.1 -13,-0.3 -79,-0.0 -80,-0.2 -0.653 73.3-136.5-105.8 160.3 78.3 108.6 44.6 99 518 A R S S+ 0 0 11 -15,-2.3 -81,-1.6 1,-0.2 -80,-0.4 0.844 98.6 30.1 -74.2 -36.8 75.4 108.5 47.0 100 519 A Y - 0 0 0 -16,-1.7 -77,-0.3 -83,-0.2 -1,-0.2 -0.990 59.3-160.5-128.4 137.3 77.6 106.9 49.6 101 520 A G S S+ 0 0 4 -76,-1.2 2,-0.3 -79,-1.0 -75,-0.2 0.430 77.8 31.1 -91.7 -3.8 81.3 107.3 50.2 102 521 A H E -c 26 0A 5 -77,-1.6 -75,-2.4 2,-0.0 2,-0.4 -0.996 58.2-149.4-151.2 164.5 81.7 104.1 52.2 103 522 A L E -cd 27 138A 1 34,-3.0 36,-2.8 -2,-0.3 2,-0.4 -0.974 14.6-172.2-140.6 112.9 80.4 100.6 52.6 104 523 A M E -cd 28 139A 0 -77,-1.6 -75,-3.5 -2,-0.4 2,-0.3 -0.914 10.6-150.6-109.7 137.5 80.4 98.9 56.0 105 524 A I E -cd 29 140A 3 34,-1.5 36,-1.7 -2,-0.4 2,-0.5 -0.834 4.7-161.8-108.4 143.1 79.5 95.2 56.4 106 525 A M E +c 30 0A 0 -77,-1.9 -75,-2.5 -2,-0.3 2,-0.4 -0.951 14.9 174.6-127.1 111.2 77.9 93.7 59.4 107 526 A T + 0 0 13 -2,-0.5 2,-0.3 34,-0.2 -75,-0.1 -0.944 21.0 133.6-119.4 128.2 78.3 90.0 59.5 108 527 A D + 0 0 42 -77,-0.5 2,-1.0 -2,-0.4 -73,-0.2 -0.979 22.4 54.9-167.5-177.7 77.1 88.0 62.6 109 528 A Q S S+ 0 0 88 -2,-0.3 3,-0.1 1,-0.2 -77,-0.0 -0.466 103.6 42.8 84.8 -50.9 75.5 85.5 65.1 110 529 A D S S- 0 0 79 -2,-1.0 -1,-0.2 1,-0.3 2,-0.1 0.229 115.5 -41.8 -95.3-149.6 77.1 82.3 63.5 111 530 A H S S- 0 0 92 -3,-0.1 -1,-0.3 1,-0.1 -3,-0.0 -0.386 78.5 -86.4 -70.8 166.6 80.7 81.7 62.3 112 531 A D S S+ 0 0 96 1,-0.2 2,-0.2 -3,-0.1 -1,-0.1 0.861 78.4 155.9 -44.0 -33.8 82.1 84.7 60.3 113 532 A G + 0 0 23 1,-0.2 2,-1.9 2,-0.1 -1,-0.2 0.455 14.5 173.5 12.1 35.7 80.3 82.7 57.6 114 533 A S > + 0 0 13 1,-0.2 4,-1.7 -2,-0.2 5,-0.3 -0.381 19.6 173.9 -71.2 83.6 79.9 85.8 55.6 115 534 A H H > S+ 0 0 91 -2,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.821 87.8 51.2 -57.4 -23.8 78.5 84.5 52.4 116 535 A I H > S+ 0 0 8 2,-0.2 4,-3.3 3,-0.2 5,-0.3 0.994 99.3 53.1 -73.4 -77.0 78.4 88.3 51.9 117 536 A K H > S+ 0 0 62 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.802 114.0 46.8 -31.3 -50.6 81.9 89.7 52.7 118 537 A G H X S+ 0 0 42 -4,-1.7 4,-3.4 2,-0.2 -1,-0.2 0.992 117.7 41.6 -58.3 -63.9 83.4 87.2 50.2 119 538 A L H X S+ 0 0 30 -4,-1.3 4,-3.1 -5,-0.3 5,-0.3 0.883 115.5 50.7 -47.6 -52.8 80.7 88.1 47.6 120 539 A I H X S+ 0 0 3 -4,-3.3 4,-2.6 2,-0.2 -1,-0.2 0.961 116.6 39.5 -51.2 -58.6 80.9 91.9 48.3 121 540 A I H X S+ 0 0 54 -4,-2.7 4,-2.9 -5,-0.3 -2,-0.2 0.927 115.7 53.4 -59.3 -45.6 84.7 92.0 48.1 122 541 A N H X S+ 0 0 109 -4,-3.4 4,-1.0 -5,-0.3 -2,-0.2 0.925 113.4 40.2 -55.2 -55.0 84.7 89.6 45.1 123 542 A F H X S+ 0 0 18 -4,-3.1 4,-0.9 2,-0.2 5,-0.5 0.862 113.1 55.8 -65.2 -37.0 82.3 91.7 43.1 124 543 A L H >X S+ 0 0 1 -4,-2.6 4,-1.6 -5,-0.3 3,-0.7 0.953 108.7 50.7 -58.7 -43.1 84.0 94.9 44.2 125 544 A E H 3< S+ 0 0 122 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.636 116.1 36.8 -68.4 -26.3 87.2 93.4 42.8 126 545 A S H 3< S+ 0 0 86 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 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20.2-115.9 -78.9 163.0 143.3 141.4 62.2 626 1122 A I G > S+ 0 0 136 1,-0.2 3,-2.0 2,-0.1 4,-0.3 0.911 114.0 72.4 -63.1 -35.8 146.6 142.9 63.4 627 1123 A W G > S+ 0 0 141 1,-0.3 3,-1.6 2,-0.2 6,-0.4 0.739 81.3 70.1 -46.8 -33.5 148.1 140.0 61.4 628 1124 A S G < S+ 0 0 18 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.310 90.1 60.2 -73.8 8.8 147.2 141.7 58.1 629 1125 A L G < S+ 0 0 56 -3,-2.0 -1,-0.3 -61,-0.1 -2,-0.2 0.389 88.2 94.7-107.9 -5.9 149.8 144.5 58.7 630 1126 A T S <> S- 0 0 52 -3,-1.6 4,-2.2 -4,-0.3 5,-0.2 -0.393 89.2-104.8 -80.7 168.5 152.6 142.0 58.7 631 1127 A K H > S+ 0 0 141 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.967 112.0 43.2 -60.7 -64.8 154.6 141.1 55.6 632 1128 A E H > S+ 0 0 137 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.831 116.7 48.7 -51.6 -41.7 153.3 137.7 54.5 633 1129 A R H > S+ 0 0 96 -6,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.975 113.1 46.8 -64.2 -54.9 149.6 138.6 55.1 634 1130 A Y H X S+ 0 0 40 -4,-2.2 4,-1.9 -7,-0.3 -2,-0.2 0.902 112.1 50.4 -54.4 -47.0 150.0 141.9 53.2 635 1131 A Q H X S+ 0 0 112 -4,-3.1 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645 1141 A E H X S+ 0 0 72 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.940 113.2 47.1 -63.7 -44.9 141.1 141.3 39.2 646 1142 A T H X S+ 0 0 58 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.919 109.0 54.3 -61.1 -45.0 142.2 138.4 36.8 647 1143 A E H X S+ 0 0 91 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.938 110.2 48.0 -54.5 -47.3 139.0 136.5 37.7 648 1144 A L H X S+ 0 0 19 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.882 112.2 48.0 -60.7 -45.5 137.0 139.6 36.7 649 1145 A E H X S+ 0 0 100 -4,-2.4 4,-1.4 1,-0.2 3,-0.2 0.995 108.9 52.5 -59.2 -61.5 138.9 140.1 33.5 650 1146 A N H < S+ 0 0 91 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.793 109.7 50.0 -42.4 -42.1 138.6 136.5 32.4 651 1147 A L H >< S+ 0 0 26 -4,-1.7 3,-2.4 -5,-0.3 -1,-0.3 0.959 106.9 53.7 -64.6 -50.3 134.8 136.6 32.9 652 1148 A L H 3< S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.700 99.2 65.4 -58.9 -18.2 134.6 139.8 30.9 653 1149 A K T 3< S+ 0 0 151 -4,-1.4 2,-0.5 -3,-0.3 -1,-0.3 0.420 86.2 88.0 -82.6 -1.6 136.4 138.0 28.0 654 1150 A L S < S- 0 0 71 -3,-2.4 2,-0.1 -4,-0.1 3,-0.0 -0.872 74.2-137.2-100.8 131.3 133.4 135.6 27.6 655 1151 A S > - 0 0 57 -2,-0.5 4,-1.8 1,-0.1 5,-0.2 -0.432 28.1-108.5 -79.8 162.6 130.6 136.5 25.3 656 1152 A A H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.935 124.9 51.5 -54.3 -44.0 127.0 135.9 26.4 657 1153 A K H > S+ 0 0 71 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.900 102.1 59.4 -61.2 -40.3 126.9 133.1 23.9 658 1154 A D H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.929 111.2 41.7 -53.3 -46.9 130.1 131.6 25.3 659 1155 A I H X S+ 0 0 17 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.952 112.4 53.4 -65.4 -51.4 128.3 131.2 28.6 660 1156 A W H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.3 3,-0.3 0.926 112.4 45.4 -50.9 -49.6 125.1 130.0 27.1 661 1157 A N H X S+ 0 0 32 -4,-3.2 4,-2.5 2,-0.2 -1,-0.3 0.846 104.5 60.2 -68.5 -30.0 126.9 127.4 25.2 662 1158 A T H X S+ 0 0 93 -4,-1.6 4,-1.2 -5,-0.3 -1,-0.2 0.916 112.2 43.3 -62.7 -31.4 128.9 126.4 28.3 663 1159 A D H X S+ 0 0 16 -4,-2.0 4,-2.1 -3,-0.3 -2,-0.2 0.873 108.9 54.3 -77.0 -45.7 125.5 125.6 29.7 664 1160 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 3,-0.2 0.963 107.9 52.3 -55.9 -48.0 124.0 123.9 26.7 665 1161 A K H X S+ 0 0 122 -4,-2.5 4,-1.8 1,-0.3 -1,-0.2 0.880 107.1 51.2 -53.3 -46.9 127.0 121.5 26.7 666 1162 A A H X S+ 0 0 41 -4,-1.2 4,-2.1 -5,-0.2 -1,-0.3 0.885 111.7 49.1 -58.3 -42.6 126.5 120.6 30.4 667 1163 A F H X S+ 0 0 0 -4,-2.1 4,-3.3 -3,-0.2 5,-0.3 0.971 104.2 57.5 -62.2 -54.4 122.9 119.9 29.6 668 1164 A E H X S+ 0 0 62 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.842 109.0 47.7 -45.6 -40.3 123.8 117.7 26.6 669 1165 A V H >X S+ 0 0 92 -4,-1.8 4,-1.9 2,-0.2 3,-0.8 0.963 115.2 43.2 -65.2 -55.1 125.8 115.5 28.9 670 1166 A G H 3X S+ 0 0 10 -4,-2.1 4,-2.9 1,-0.3 -2,-0.2 0.795 110.2 57.0 -61.4 -29.9 123.1 115.3 31.6 671 1167 A Y H 3X S+ 0 0 0 -4,-3.3 4,-1.8 2,-0.2 -1,-0.3 0.753 104.3 52.5 -76.1 -23.1 120.5 114.7 28.9 672 1168 A Q H