==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-OCT-12 2LZN . COMPND 2 MOLECULE: DNA PRIMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.D.SHORTRIDGE,M.A.GRIEP,R.POWERS . 143 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 71.3 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 . 0 0.0 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 . 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 . 8 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 49.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 0 0 2 3 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 463 A F 0 0 261 0, 0.0 2,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.6 18.2 4.2 -4.7 2 464 A D + 0 0 134 1,-0.1 2,-0.5 2,-0.1 0, 0.0 -0.842 360.0 172.5 -92.1 101.7 16.1 2.0 -2.5 3 465 A N + 0 0 112 -2,-1.1 2,-1.3 2,-0.0 -1,-0.1 -0.536 6.2 167.2-114.2 56.6 12.9 3.8 -2.6 4 466 A L - 0 0 87 -2,-0.5 -2,-0.1 3,-0.1 2,-0.0 -0.710 31.7-161.6 -66.6 98.1 10.6 1.4 -0.8 5 467 A S >> - 0 0 29 -2,-1.3 3,-0.7 1,-0.1 4,-0.6 -0.179 34.0-101.4 -85.5 174.7 8.0 4.0 -0.5 6 468 A R H 3> S+ 0 0 135 1,-0.2 4,-1.5 2,-0.2 95,-0.1 0.695 119.3 68.5 -65.5 -22.9 4.9 4.4 1.7 7 469 A Q H 3> S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.856 97.8 51.1 -67.3 -34.4 3.0 3.3 -1.3 8 470 A E H <> S+ 0 0 19 -3,-0.7 4,-2.9 2,-0.3 -1,-0.2 0.723 102.6 58.4 -73.9 -23.2 4.5 -0.1 -0.8 9 471 A K H X S+ 0 0 119 -4,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.863 105.6 50.4 -71.0 -33.4 3.5 0.0 2.8 10 472 A A H X S+ 0 0 2 -4,-1.5 4,-2.9 2,-0.2 -2,-0.3 0.904 109.6 50.5 -67.3 -42.3 0.0 0.4 1.2 11 473 A E H X S+ 0 0 1 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.977 113.9 44.9 -51.7 -60.6 0.8 -2.7 -0.9 12 474 A R H < S+ 0 0 50 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.880 117.3 43.7 -52.8 -46.3 1.9 -4.6 2.1 13 475 A A H >< S+ 0 0 30 -4,-2.8 3,-1.9 1,-0.2 4,-0.2 0.856 107.6 58.6 -70.9 -36.8 -1.1 -3.4 4.2 14 476 A F H >< S+ 0 0 19 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.814 97.8 62.6 -62.9 -29.8 -3.6 -4.0 1.3 15 477 A L T 3< S+ 0 0 20 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.515 84.5 74.9 -73.2 -7.3 -2.6 -7.6 1.3 16 478 A K T < S+ 0 0 24 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.620 73.1 110.4 -77.2 -13.7 -3.8 -8.0 4.9 17 479 A H S < S- 0 0 41 -3,-1.4 64,-0.0 -4,-0.2 -3,-0.0 -0.377 94.9 -78.8 -60.7 137.7 -7.3 -7.9 3.3 18 480 A L > - 0 0 118 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 -0.191 38.9-138.4 -51.5 123.3 -8.9 -11.4 3.5 19 481 A M T 3 S+ 0 0 35 1,-0.3 40,-0.8 40,-0.2 3,-0.2 0.331 94.0 77.3 -71.7 1.3 -7.3 -13.6 0.9 20 482 A R T 3 S+ 0 0 190 1,-0.2 2,-2.7 38,-0.1 -1,-0.3 0.908 81.0 72.6 -68.1 -44.6 -10.6 -15.1 -0.0 21 483 A D X> + 0 0 63 -3,-1.6 3,-1.2 1,-0.2 4,-0.6 -0.383 56.8 158.2 -74.7 58.8 -11.4 -12.0 -1.9 22 484 A K H 3> + 0 0 9 -2,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.650 64.1 74.4 -62.1 -18.0 -9.0 -12.6 -4.7 23 485 A D H 3> S+ 0 0 103 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.921 92.3 57.1 -57.5 -39.8 -11.0 -10.3 -6.9 24 486 A T H <> S+ 0 0 23 -3,-1.2 4,-2.9 2,-0.2 5,-0.3 0.851 101.1 56.4 -60.2 -35.0 -9.4 -7.6 -4.8 25 487 A F H X S+ 0 0 10 -4,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.968 112.4 40.1 -58.6 -52.0 -6.0 -9.0 -5.9 26 488 A L H X S+ 0 0 57 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.838 115.3 53.2 -70.6 -31.5 -6.8 -8.6 -9.5 27 489 A N H X S+ 0 0 96 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.934 113.7 41.0 -69.5 -42.1 -8.5 -5.2 -8.8 28 490 A Y H X S+ 0 0 5 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.870 112.5 57.6 -76.7 -31.4 -5.5 -3.8 -7.0 29 491 A Y H < S+ 0 0 41 -4,-2.5 3,-0.3 -5,-0.3 -2,-0.2 0.937 114.9 34.3 -60.4 -51.1 -3.2 -5.4 -9.6 30 492 A E H < S+ 0 0 114 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.632 113.4 58.5 -85.3 -12.1 -4.8 -3.6 -12.6 31 493 A S H < S+ 0 0 105 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.656 102.8 65.8 -87.4 -15.2 -5.7 -0.3 -10.8 32 494 A V S < S- 0 0 18 -4,-0.9 2,-1.2 -3,-0.3 3,-0.1 -0.367 106.3 -78.6 -99.4 176.5 -2.1 0.2 -9.9 33 495 A D > + 0 0 104 1,-0.2 4,-0.6 -2,-0.1 5,-0.3 -0.688 40.0 178.6 -85.0 100.7 0.9 0.9 -12.2 34 496 A K T 4 S+ 0 0 101 -2,-1.2 4,-0.2 3,-0.2 -1,-0.2 0.803 79.6 54.3 -65.5 -30.5 1.9 -2.4 -13.6 35 497 A D T 4 S+ 0 0 143 -3,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.999 128.8 1.6 -69.8 -72.0 4.6 -0.6 -15.6 36 498 A N T 4 S+ 0 0 136 1,-0.2 -2,-0.1 3,-0.0 -1,-0.1 0.834 125.8 60.1 -92.1 -33.4 6.7 1.3 -13.0 37 499 A F < + 0 0 25 -4,-0.6 2,-0.5 2,-0.0 -3,-0.2 0.579 69.7 123.9 -78.6 -7.6 5.1 0.4 -9.7 38 500 A T - 0 0 72 -5,-0.3 2,-0.2 -4,-0.2 -4,-0.1 -0.369 44.9-169.2 -60.7 108.3 5.8 -3.3 -10.1 39 501 A N > - 0 0 28 -2,-0.5 4,-2.5 1,-0.1 5,-0.1 -0.607 35.9-117.1 -93.9 157.6 7.8 -4.2 -7.0 40 502 A Q H > S+ 0 0 125 2,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.861 123.3 52.9 -62.8 -34.0 9.7 -7.5 -6.4 41 503 A H H > S+ 0 0 4 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.940 110.3 45.6 -60.2 -51.0 7.2 -7.8 -3.6 42 504 A F H > S+ 0 0 3 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.842 110.4 55.6 -60.7 -37.6 4.4 -7.2 -6.0 43 505 A K H X S+ 0 0 82 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.952 111.1 43.2 -63.6 -51.7 6.0 -9.7 -8.5 44 506 A Y H X S+ 0 0 65 -4,-2.7 4,-2.2 2,-0.2 5,-0.3 0.900 116.7 46.3 -62.8 -42.3 6.1 -12.4 -5.9 45 507 A V H X S+ 0 0 8 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.986 115.8 45.2 -63.5 -56.7 2.6 -11.7 -4.7 46 508 A F H X S+ 0 0 53 -4,-3.1 4,-2.0 1,-0.2 5,-0.2 0.903 114.5 49.9 -49.3 -48.7 1.1 -11.5 -8.3 47 509 A E H X S+ 0 0 90 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.952 115.5 38.9 -61.7 -55.9 3.0 -14.6 -9.4 48 510 A V H X S+ 0 0 16 -4,-2.2 4,-1.7 1,-0.2 5,-0.2 0.937 118.3 48.9 -61.6 -45.7 2.0 -17.0 -6.6 49 511 A L H X S+ 0 0 9 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.801 111.0 49.7 -67.7 -31.6 -1.5 -15.6 -6.4 50 512 A H H X S+ 0 0 99 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.3 0.795 103.9 61.3 -72.3 -32.9 -2.0 -15.9 -10.1 51 513 A D H < S+ 0 0 111 -4,-1.8 4,-0.2 2,-0.2 -2,-0.2 0.909 111.6 37.6 -63.0 -40.8 -0.7 -19.5 -10.0 52 514 A F H >X S+ 0 0 48 -4,-1.7 3,-2.2 1,-0.2 4,-1.1 0.872 108.9 64.1 -76.3 -36.6 -3.6 -20.5 -7.7 53 515 A Y H 3< S+ 0 0 84 -4,-1.6 4,-0.2 1,-0.3 -2,-0.2 0.810 97.0 59.8 -53.3 -34.0 -5.9 -18.2 -9.7 54 516 A A T 3< S+ 0 0 83 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.666 128.7 2.2 -71.6 -18.9 -5.2 -20.5 -12.6 55 517 A E T <4 S- 0 0 174 -3,-2.2 2,-0.3 -4,-0.2 -2,-0.2 0.609 135.3 -7.8-134.1 -57.8 -6.6 -23.6 -10.8 56 518 A N S < S- 0 0 106 -4,-1.1 2,-1.0 -5,-0.2 -2,-0.1 -0.902 70.9-147.9-152.0 107.0 -8.1 -23.1 -7.2 57 519 A D + 0 0 35 -2,-0.3 2,-0.3 -4,-0.2 -35,-0.2 -0.717 47.4 111.9-107.6 96.2 -7.6 -19.8 -5.8 58 520 A Q - 0 0 102 -2,-1.0 2,-0.4 -37,-0.1 -38,-0.1 -0.900 45.5-151.2-142.0 126.3 -7.2 -19.1 -2.2 59 521 A Y - 0 0 13 -40,-0.8 2,-0.2 -2,-0.3 -40,-0.2 -0.821 20.3-169.0-100.6 132.9 -3.8 -17.9 -0.9 60 522 A N >> - 0 0 77 -2,-0.4 4,-1.1 1,-0.1 3,-0.6 -0.724 40.1-108.6-120.2 172.3 -2.8 -18.8 2.6 61 523 A I H 3> S+ 0 0 71 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.886 114.7 66.6 -52.0 -46.3 -0.3 -18.1 5.3 62 524 A S H 3> S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.801 96.5 54.6 -51.7 -37.2 1.1 -21.6 4.6 63 525 A D H <> S+ 0 0 20 -3,-0.6 4,-1.3 2,-0.2 3,-0.4 0.957 110.9 42.8 -65.2 -50.8 2.3 -20.4 1.2 64 526 A A H < S+ 0 0 1 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.797 111.4 58.0 -66.0 -29.0 4.3 -17.5 2.6 65 527 A V H >< S+ 0 0 64 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.813 100.2 55.3 -68.0 -35.4 5.5 -19.9 5.4 66 528 A Q H 3< S+ 0 0 149 -4,-1.7 3,-0.4 -3,-0.4 4,-0.3 0.846 102.8 59.3 -65.9 -30.5 6.9 -22.3 2.7 67 529 A Y T 3< S+ 0 0 68 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.326 71.4 114.0 -76.5 9.4 8.7 -19.2 1.7 68 530 A V S < S+ 0 0 67 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.401 80.9 42.8 -72.7 12.5 10.4 -18.9 5.2 69 531 A N S S+ 0 0 150 -3,-0.4 -1,-0.2 2,-0.0 3,-0.2 0.708 123.3 34.5-108.5 -43.7 13.9 -19.6 3.7 70 532 A S S S+ 0 0 61 -4,-0.3 2,-2.9 1,-0.1 -3,-0.1 0.542 112.8 19.9 -75.5-144.1 13.4 -17.4 0.7 71 533 A N > - 0 0 31 1,-0.2 3,-1.9 2,-0.1 2,-0.5 -0.115 62.4-175.4 -26.6 30.9 11.6 -14.0 -0.0 72 534 A E T >> S+ 0 0 131 -2,-2.9 4,-1.4 1,-0.3 3,-1.3 0.379 73.3 83.6 -30.1 -5.9 11.4 -13.0 3.7 73 535 A L H 3> S+ 0 0 40 -2,-0.5 4,-2.1 1,-0.2 -1,-0.3 0.650 83.5 69.3 -68.6 -12.2 9.4 -9.9 2.7 74 536 A R H <> S+ 0 0 23 -3,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.735 93.1 52.8 -66.8 -28.8 7.0 -12.9 3.0 75 537 A E H <> S+ 0 0 116 -3,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.892 106.5 50.8 -77.1 -41.0 7.7 -12.7 6.7 76 538 A T H X S+ 0 0 45 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.938 110.9 49.0 -56.3 -47.7 6.8 -9.1 6.6 77 539 A L H X S+ 0 0 9 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.909 111.5 48.4 -57.6 -45.6 3.6 -10.2 4.8 78 540 A I H X S+ 0 0 43 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.891 107.8 56.1 -61.3 -40.5 3.0 -12.8 7.5 79 541 A S H X S+ 0 0 53 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.892 105.4 51.4 -57.2 -41.6 3.7 -10.0 10.0 80 542 A L H < S+ 0 0 15 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.886 109.4 49.7 -63.1 -37.7 0.8 -8.1 8.3 81 543 A E H < S+ 0 0 74 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.843 107.4 54.5 -68.7 -32.5 -1.4 -11.1 8.7 82 544 A Q H < S+ 0 0 140 -4,-2.2 2,-0.3 -5,-0.1 -1,-0.2 0.825 95.8 81.5 -67.5 -35.0 -0.3 -11.2 12.4 83 545 A Y S < S- 0 0 138 -4,-1.7 2,-0.3 -5,-0.2 0, 0.0 -0.573 87.7-126.4 -70.6 136.4 -1.5 -7.7 12.5 84 546 A N - 0 0 82 -2,-0.3 4,-0.2 1,-0.1 3,-0.1 -0.676 23.7-156.1-102.7 141.7 -5.2 -7.6 13.0 85 547 A L S S+ 0 0 55 -2,-0.3 -1,-0.1 1,-0.2 7,-0.1 0.244 93.8 78.6 -82.5 4.4 -8.0 -5.9 11.1 86 548 A N S S+ 0 0 144 1,-0.1 -1,-0.2 3,-0.1 4,-0.1 0.947 97.7 36.7 -73.1 -58.1 -9.7 -6.3 14.5 87 549 A D S S+ 0 0 112 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.537 114.5 74.1 -74.6 -6.1 -8.0 -3.4 16.1 88 550 A E S S- 0 0 47 -4,-0.2 2,-0.2 2,-0.0 5,-0.0 -0.875 81.7-128.2-109.2 139.5 -8.2 -1.6 12.8 89 551 A P > - 0 0 70 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.570 30.8-117.7 -71.3 152.4 -11.2 -0.0 11.2 90 552 A Y G >> S+ 0 0 154 1,-0.3 3,-1.1 -2,-0.2 4,-0.7 0.583 110.3 77.7 -76.3 -2.5 -11.6 -1.3 7.6 91 553 A E G 34>S+ 0 0 77 1,-0.3 5,-1.7 2,-0.2 -1,-0.3 0.625 78.6 71.9 -75.0 -13.5 -11.2 2.2 6.4 92 554 A N G <45S+ 0 0 63 -3,-2.2 -1,-0.3 3,-0.2 5,-0.2 0.720 99.8 51.0 -69.3 -21.6 -7.5 1.6 7.1 93 555 A E T <>5S+ 0 0 26 -3,-1.1 4,-2.8 -4,-0.2 5,-0.2 0.847 124.7 10.7 -79.0 -92.7 -7.7 -0.6 4.1 94 556 A I H X5S+ 0 0 93 -4,-0.7 4,-2.6 2,-0.2 5,-0.3 0.845 130.1 49.3 -58.9 -45.5 -9.3 1.2 1.1 95 557 A D H >5S+ 0 0 38 -5,-0.3 4,-3.0 -4,-0.2 -3,-0.2 0.986 119.5 35.3 -60.3 -60.8 -9.3 4.8 2.5 96 558 A D H > - 0 0 63 -2,-0.5 4,-1.7 1,-0.0 3,-0.4 -0.373 46.9 -71.7 -97.4-179.2 -1.0 19.2 -0.7 109 571 A I T 4 S+ 0 0 134 1,-0.3 4,-0.3 2,-0.2 30,-0.1 0.816 135.2 37.8 -43.6 -44.4 -2.5 19.2 3.0 110 572 A E T >> S+ 0 0 18 2,-0.2 3,-1.8 1,-0.2 4,-0.8 0.808 106.2 63.7 -83.6 -28.3 -5.8 20.5 1.9 111 573 A S H 3> S+ 0 0 8 -3,-0.4 4,-1.8 1,-0.3 -2,-0.2 0.806 91.6 68.3 -66.0 -22.3 -6.0 18.5 -1.3 112 574 A L H 3X S+ 0 0 57 -4,-1.7 4,-2.6 1,-0.2 -1,-0.3 0.831 91.9 61.8 -60.4 -30.9 -6.0 15.6 1.0 113 575 A N H <> S+ 0 0 19 -3,-1.8 4,-2.7 -4,-0.3 5,-0.3 0.922 100.3 52.9 -60.1 -47.0 -9.4 17.0 2.0 114 576 A H H X S+ 0 0 87 -4,-0.8 4,-2.3 1,-0.2 -2,-0.2 0.943 113.7 40.2 -56.1 -53.8 -10.6 16.4 -1.6 115 577 A K H X S+ 0 0 17 -4,-1.8 4,-3.1 2,-0.2 5,-0.2 0.867 113.3 53.6 -69.5 -35.2 -9.6 12.8 -1.7 116 578 A L H X S+ 0 0 50 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.966 115.3 40.9 -61.2 -52.1 -10.7 12.0 1.9 117 579 A R H X S+ 0 0 34 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.868 115.9 51.9 -61.4 -38.2 -14.2 13.4 1.2 118 580 A E H < S+ 0 0 96 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.925 109.6 47.3 -68.6 -46.2 -14.2 11.7 -2.3 119 581 A A H >< S+ 0 0 40 -4,-3.1 3,-0.7 1,-0.2 -2,-0.2 0.921 115.0 46.1 -60.0 -45.2 -13.3 8.2 -1.0 120 582 A T H >X S+ 0 0 14 -4,-2.1 3,-1.7 -5,-0.2 4,-1.1 0.742 88.0 90.9 -68.7 -25.9 -15.9 8.4 1.8 121 583 A R T 3< + 0 0 171 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.389 61.7 89.1 -53.7 1.9 -18.5 9.7 -0.8 122 584 A I T <4 S- 0 0 154 -3,-0.7 -1,-0.3 1,-0.1 -2,-0.1 0.614 125.7 -58.9 -80.0 -10.8 -19.5 6.0 -1.5 123 585 A G T <4 S+ 0 0 66 -3,-1.7 -2,-0.2 0, 0.0 2,-0.1 0.570 88.4 150.0 128.4 50.3 -22.1 6.3 1.3 124 586 A D S < S- 0 0 49 -4,-1.1 2,-2.2 1,-0.0 3,-0.1 -0.370 71.0 -71.8 -95.3 169.2 -20.3 7.2 4.5 125 587 A V S >> S+ 0 0 82 1,-0.2 3,-2.2 -2,-0.1 4,-1.1 -0.043 71.6 161.5 -46.6 23.2 -21.4 9.2 7.7 126 588 A E T 34 + 0 0 45 -2,-2.2 -1,-0.2 1,-0.3 7,-0.1 0.315 60.7 70.4 -43.1 -2.6 -21.2 12.2 5.2 127 589 A L T >> S+ 0 0 160 -2,-0.4 4,-1.4 2,-0.2 3,-0.6 0.902 108.5 36.6 -72.7 -54.0 -23.3 14.4 7.4 128 590 A Q H X> S+ 0 0 121 -3,-2.2 4,-1.5 1,-0.3 3,-0.8 0.950 120.6 48.9 -53.4 -52.7 -20.3 14.3 9.7 129 591 A K H 3X S+ 0 0 30 -4,-1.1 4,-1.8 1,-0.3 -1,-0.3 0.568 96.6 68.2 -73.8 -9.7 -18.2 14.5 6.6 130 592 A Y H <> S+ 0 0 131 -3,-0.6 4,-0.6 -5,-0.3 -1,-0.3 0.872 103.3 47.3 -67.5 -41.2 -20.2 17.3 5.2 131 593 A Y H XX S+ 0 0 172 -4,-1.4 4,-1.4 -3,-0.8 3,-1.3 0.924 111.2 49.9 -61.2 -43.0 -18.6 19.3 8.1 132 594 A L H 3X S+ 0 0 43 -4,-1.5 4,-2.1 1,-0.3 -2,-0.2 0.874 104.1 60.2 -59.2 -37.0 -15.3 17.7 7.0 133 595 A Q H 3X S+ 0 0 66 -4,-1.8 4,-1.2 2,-0.3 -1,-0.3 0.651 94.7 61.0 -67.6 -19.2 -16.3 18.9 3.5 134 596 A Q H < S+ 0 0 10 -4,-1.4 3,-1.7 1,-0.3 -2,-0.2 0.949 111.0 40.9 -56.8 -54.2 -9.2 22.9 -0.1 140 602 A K H >< S+ 0 0 126 -4,-2.5 3,-0.6 1,-0.3 -1,-0.3 0.697 109.4 61.5 -73.2 -16.8 -11.1 23.9 -3.1 141 603 A E T 3< S+ 0 0 134 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.506 78.0 90.8 -79.2 -8.6 -10.8 27.5 -2.0 142 604 A R T < 0 0 142 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.731 360.0 360.0 -58.1 -22.7 -7.0 27.2 -2.3 143 605 A M < 0 0 215 -3,-0.6 -2,-0.2 -4,-0.2 -3,-0.1 0.856 360.0 360.0 -92.9 360.0 -7.5 28.3 -5.9