==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 06-SEP-07 2R6O . COMPND 2 MOLECULE: PUTATIVE DIGUANYLATE CYCLASE/PHOSPHODIESTERASE (G . SOURCE 2 ORGANISM_SCIENTIFIC: THIOBACILLUS DENITRIFICANS; . AUTHOR C.CHANG,X.XU,H.ZHENG,A.SAVCHENKO,A.M.EDWARDS,A.JOACHIMIAK,MI . 500 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 400 80.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.2 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 . 32 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 37.8 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 0 3 0 1 1 1 1 2 4 0 0 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 4 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 4 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 1 488 A R 0 0 155 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.9 27.8 29.9 57.8 2 489 A L - 0 0 102 1,-0.1 2,-0.0 2,-0.1 0, 0.0 -0.390 360.0-106.0 -77.2 148.3 28.1 33.1 55.7 3 490 A T > - 0 0 84 1,-0.1 4,-2.7 -2,-0.1 5,-0.2 -0.333 28.2-115.4 -66.5 154.0 27.8 33.1 51.9 4 491 A L H > S+ 0 0 63 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.896 118.1 55.4 -58.8 -39.9 30.9 33.6 49.9 5 492 A D H > S+ 0 0 50 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.954 108.9 45.9 -56.5 -55.2 29.5 36.9 48.6 6 493 A T H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.918 114.9 48.4 -49.7 -50.2 29.0 38.2 52.2 7 494 A R H X S+ 0 0 28 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.886 111.2 50.0 -62.9 -38.9 32.5 36.9 53.1 8 495 A L H X S+ 0 0 3 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.909 109.2 50.5 -66.0 -43.9 34.0 38.6 50.0 9 496 A R H X S+ 0 0 113 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.915 112.1 49.1 -57.4 -43.1 32.4 41.9 50.8 10 497 A Q H X S+ 0 0 38 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.896 105.2 57.7 -62.3 -42.2 33.8 41.6 54.3 11 498 A A H <>S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 6,-0.6 0.878 109.3 46.3 -54.4 -39.5 37.2 40.8 52.9 12 499 A L H ><5S+ 0 0 37 -4,-1.8 3,-0.9 3,-0.2 -2,-0.2 0.937 115.4 43.4 -70.2 -46.8 37.1 44.2 51.1 13 500 A E H 3<5S+ 0 0 135 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.790 118.6 45.8 -71.4 -23.4 35.9 46.2 54.0 14 501 A R T 3<5S- 0 0 139 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.329 109.7-119.4-101.3 6.6 38.4 44.4 56.4 15 502 A N T < 5 + 0 0 129 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.900 64.0 143.5 56.8 48.4 41.4 44.7 54.0 16 503 A E < + 0 0 30 -5,-3.0 26,-2.7 -6,-0.2 -4,-0.1 0.582 39.6 94.7 -93.1 -12.5 41.9 40.9 53.7 17 504 A L E -A 41 0A 11 -6,-0.6 2,-0.3 24,-0.2 24,-0.2 -0.489 53.7-175.4 -78.8 153.4 42.9 40.9 50.1 18 505 A V E -A 40 0A 50 22,-2.4 22,-2.3 -2,-0.1 2,-0.5 -0.960 18.9-130.0-142.6 154.1 46.6 41.0 49.2 19 506 A L E -A 39 0A 8 -2,-0.3 227,-0.6 20,-0.2 2,-0.3 -0.938 15.9-170.0-107.9 136.2 48.7 41.2 46.1 20 507 A H E -AB 38 245A 29 18,-2.6 18,-2.7 -2,-0.5 2,-0.4 -0.732 15.3-144.1-105.5 166.5 51.5 38.9 45.2 21 508 A Y E -AB 37 244A 5 223,-2.7 223,-2.0 -2,-0.3 16,-0.2 -0.994 5.5-153.0-139.0 127.8 53.8 39.7 42.2 22 509 A Q E -A 36 0A 17 14,-2.3 14,-2.5 -2,-0.4 220,-0.1 -0.902 30.1-116.8-102.7 121.1 55.4 37.3 39.7 23 510 A P E -A 35 0A 3 0, 0.0 2,-0.5 0, 0.0 214,-0.4 -0.194 19.1-151.2 -52.9 135.6 58.7 38.7 38.1 24 511 A I E -A 34 0A 12 10,-2.7 9,-2.3 212,-0.1 10,-1.6 -0.981 21.3-156.4-108.4 127.9 58.6 39.2 34.3 25 512 A V E -AC 32 235A 6 210,-3.1 210,-2.5 -2,-0.5 2,-0.6 -0.848 21.7-126.6-116.1 140.4 62.0 38.8 32.9 26 513 A E E >> - C 0 234A 76 5,-2.8 4,-3.0 -2,-0.4 3,-0.5 -0.742 26.1-149.3 -77.9 116.6 63.8 40.0 29.8 27 514 A L T 34 S+ 0 0 3 206,-2.4 -1,-0.2 -2,-0.6 207,-0.1 0.853 89.2 56.9 -64.2 -36.3 65.1 36.7 28.4 28 515 A A T 34 S+ 0 0 86 205,-0.5 -1,-0.2 1,-0.2 206,-0.1 0.837 124.7 18.5 -63.2 -40.6 68.2 38.2 26.8 29 516 A S T <4 S- 0 0 72 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.626 93.6-125.4-105.7 -23.1 69.6 39.7 30.0 30 517 A G < + 0 0 38 -4,-3.0 2,-0.2 1,-0.3 -3,-0.2 0.523 59.9 149.1 81.0 6.8 67.8 37.9 32.7 31 518 A R - 0 0 80 -5,-0.5 -5,-2.8 1,-0.1 2,-0.7 -0.512 52.9-124.3 -77.3 136.9 66.7 41.3 34.1 32 519 A I E +A 25 0A 19 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.748 41.2 162.0 -77.3 116.7 63.4 41.6 36.0 33 520 A V E + 0 0 22 -9,-2.3 60,-1.4 -2,-0.7 2,-0.3 0.456 59.5 5.4-116.9 -8.1 61.7 44.4 34.1 34 521 A G E -A 24 0A 2 -10,-1.6 -10,-2.7 58,-0.2 2,-0.3 -0.921 57.2-142.0-160.5-176.9 58.1 43.8 35.2 35 522 A G E -A 23 0A 0 58,-0.3 60,-3.0 -12,-0.3 2,-0.6 -0.937 16.6-131.5-160.9 134.8 55.8 42.0 37.5 36 523 A E E -Ad 22 95A 8 -14,-2.5 -14,-2.3 -2,-0.3 2,-0.2 -0.835 25.0-136.6 -92.7 121.0 52.4 40.5 37.2 37 524 A A E -A 21 0A 1 58,-3.0 60,-0.4 -2,-0.6 2,-0.4 -0.564 23.2-171.2 -71.5 136.7 50.1 41.5 40.2 38 525 A L E -A 20 0A 25 -18,-2.7 -18,-2.6 -2,-0.2 2,-0.1 -0.968 14.9-134.8-137.7 116.2 48.1 38.5 41.3 39 526 A V E +A 19 0A 17 -2,-0.4 2,-0.3 -20,-0.2 -20,-0.2 -0.412 25.6 173.4 -74.2 145.3 45.3 38.9 43.9 40 527 A R E -A 18 0A 13 -22,-2.3 -22,-2.4 10,-0.2 2,-0.6 -0.922 28.6-127.3-135.3 165.3 44.9 36.5 46.8 41 528 A W E -AE 17 49A 0 8,-2.4 8,-3.1 -2,-0.3 2,-1.7 -0.969 9.2-149.9-114.8 113.2 42.6 36.5 49.8 42 529 A E E - E 0 48A 97 -26,-2.7 6,-0.2 -2,-0.6 -2,-0.0 -0.671 26.8-165.9 -78.3 88.2 44.3 36.2 53.2 43 530 A D E >> - E 0 47A 1 4,-2.5 4,-3.2 -2,-1.7 3,-1.4 -0.680 20.2-147.9 -86.2 117.2 41.2 34.5 54.6 44 531 A P T 34 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.774 100.1 49.1 -56.4 -24.2 41.4 34.4 58.4 45 532 A E T 34 S+ 0 0 144 2,-0.1 -3,-0.0 1,-0.1 -2,-0.0 0.676 129.3 13.5 -85.3 -20.9 39.5 31.1 58.3 46 533 A R T <4 S- 0 0 133 -3,-1.4 2,-0.3 1,-0.3 -1,-0.1 0.569 93.4-124.0-134.3 -18.7 41.6 29.3 55.6 47 534 A G E < S+E 43 0A 23 -4,-3.2 -4,-2.5 2,-0.1 2,-1.3 -0.745 75.5 5.0 99.4-149.8 44.9 31.1 54.9 48 535 A L E S-E 42 0A 75 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.563 73.4-162.7 -80.6 96.7 46.1 32.3 51.5 49 536 A V E -E 41 0A 12 -8,-3.1 -8,-2.4 -2,-1.3 -2,-0.1 -0.626 12.3-130.9 -87.4 130.8 43.2 31.7 49.2 50 537 A X > - 0 0 95 -2,-0.4 3,-2.1 -10,-0.2 4,-0.3 -0.437 20.2-116.0 -78.7 151.9 43.8 31.7 45.4 51 538 A P G >> S+ 0 0 34 0, 0.0 4,-3.1 0, 0.0 3,-1.6 0.779 111.1 69.9 -63.8 -24.7 41.6 33.7 43.1 52 539 A S G 34 S+ 0 0 101 1,-0.3 -3,-0.0 2,-0.2 -2,-0.0 0.783 97.9 55.5 -57.8 -25.7 40.4 30.6 41.3 53 540 A A G <4 S+ 0 0 46 -3,-2.1 -1,-0.3 1,-0.1 -3,-0.0 0.553 125.8 13.0 -85.8 -11.4 38.5 29.9 44.6 54 541 A F T <> S+ 0 0 0 -3,-1.6 4,-1.9 -4,-0.3 -2,-0.2 0.585 103.9 78.8-138.4 -23.5 36.6 33.3 44.8 55 542 A I H X S+ 0 0 31 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.902 92.2 56.8 -64.4 -42.1 36.7 35.2 41.5 56 543 A P H > S+ 0 0 76 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.935 109.4 46.9 -51.3 -45.7 34.0 33.1 39.8 57 544 A A H > S+ 0 0 29 1,-0.2 4,-1.4 2,-0.2 6,-0.3 0.870 109.6 53.8 -62.4 -39.0 31.7 34.0 42.8 58 545 A A H <>S+ 0 0 0 -4,-1.9 6,-1.5 1,-0.2 5,-0.8 0.887 109.1 49.3 -59.3 -40.9 32.7 37.7 42.4 59 546 A E H ><5S+ 0 0 84 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.834 104.6 58.4 -69.5 -34.2 31.7 37.5 38.7 60 547 A D H 3<5S+ 0 0 90 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.852 118.5 30.6 -63.8 -34.9 28.4 36.0 39.5 61 548 A T T 3<5S- 0 0 56 -4,-1.4 -1,-0.2 -3,-0.1 -2,-0.2 0.261 108.2-114.4-110.7 10.9 27.4 38.9 41.7 62 549 A G T X>5S+ 0 0 21 -3,-0.5 3,-1.4 -4,-0.4 4,-0.5 0.426 82.1 123.0 67.6 -1.5 29.3 41.8 39.9 63 550 A L H 3>< + 0 0 11 -5,-0.8 4,-2.4 -6,-0.3 -4,-0.2 0.629 55.3 85.7 -55.4 -17.8 31.5 42.3 43.0 64 551 A I H 3> S+ 0 0 4 -6,-1.5 4,-2.9 1,-0.2 -1,-0.2 0.829 82.1 55.7 -56.8 -37.4 34.3 41.6 40.5 65 552 A V H <> S+ 0 0 34 -3,-1.4 4,-2.4 -7,-0.2 -1,-0.2 0.969 110.8 42.7 -60.2 -52.7 34.3 45.3 39.5 66 553 A A H X S+ 0 0 48 -4,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.882 116.9 49.2 -60.5 -40.2 35.0 46.5 43.1 67 554 A L H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.943 111.5 47.0 -66.0 -47.5 37.5 43.8 43.5 68 555 A S H X S+ 0 0 11 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.851 110.3 53.6 -65.1 -36.5 39.4 44.5 40.3 69 556 A D H X S+ 0 0 13 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.889 107.1 52.1 -63.2 -40.6 39.4 48.3 41.2 70 557 A W H X S+ 0 0 67 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.930 110.6 48.5 -57.0 -49.3 41.0 47.4 44.6 71 558 A V H X S+ 0 0 11 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.932 110.7 50.4 -56.6 -49.1 43.7 45.4 42.7 72 559 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.919 115.2 42.7 -58.5 -46.4 44.4 48.2 40.3 73 560 A E H X S+ 0 0 31 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.912 114.1 49.7 -66.1 -45.0 44.8 50.8 43.1 74 561 A A H X S+ 0 0 27 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.885 112.0 49.6 -64.6 -39.0 46.8 48.5 45.3 75 562 A C H X S+ 0 0 1 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.949 112.2 46.4 -64.0 -49.7 49.2 47.7 42.4 76 563 A C H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.898 113.1 50.4 -60.2 -41.1 49.7 51.3 41.5 77 564 A T H X S+ 0 0 77 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.912 109.6 51.2 -63.9 -42.8 50.3 52.2 45.2 78 565 A Q H X S+ 0 0 44 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.914 109.8 47.9 -63.0 -45.0 52.8 49.4 45.6 79 566 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.935 112.1 50.2 -64.2 -43.1 54.9 50.5 42.5 80 567 A R H X S+ 0 0 76 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.855 109.2 52.9 -59.8 -35.5 54.8 54.1 43.7 81 568 A A H X S+ 0 0 25 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.964 110.8 45.4 -65.4 -49.8 56.0 52.9 47.1 82 569 A W H <>S+ 0 0 2 -4,-2.6 5,-2.2 1,-0.2 6,-1.6 0.860 112.6 52.5 -61.9 -36.6 58.9 51.0 45.6 83 570 A Q H ><5S+ 0 0 45 -4,-2.5 3,-1.1 -5,-0.2 -1,-0.2 0.948 110.7 46.4 -62.1 -48.0 59.7 54.0 43.4 84 571 A Q H 3<5S+ 0 0 133 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.815 110.1 53.8 -64.3 -32.3 59.8 56.4 46.4 85 572 A Q T 3<5S- 0 0 104 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.566 113.8-120.6 -76.9 -11.7 61.9 53.9 48.4 86 573 A G T < 5S+ 0 0 45 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.617 86.5 109.1 79.1 17.0 64.4 53.9 45.5 87 574 A R < + 0 0 62 -5,-2.2 2,-0.7 -6,-0.2 -4,-0.2 0.678 58.4 74.1 -98.2 -23.3 64.0 50.1 45.0 88 575 A A S S- 0 0 10 -6,-1.6 -2,-0.1 -9,-0.1 -1,-0.1 -0.849 79.9-137.9 -94.5 115.8 62.1 50.2 41.7 89 576 A A > - 0 0 41 -2,-0.7 3,-1.7 1,-0.1 -2,-0.1 -0.203 27.9-101.9 -65.9 162.1 64.3 51.1 38.7 90 577 A D T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -7,-0.0 -2,-0.0 0.723 120.8 54.2 -60.2 -23.8 63.1 53.5 36.1 91 578 A D T 3 S+ 0 0 70 2,-0.0 2,-0.3 -57,-0.0 -1,-0.3 0.565 83.1 112.6 -87.4 -6.7 62.3 50.6 33.7 92 579 A L < + 0 0 3 -3,-1.7 2,-0.3 -58,-0.1 -58,-0.2 -0.491 38.1 170.7 -76.0 131.1 60.1 48.7 36.1 93 580 A T - 0 0 9 -60,-1.4 2,-0.3 -2,-0.3 -58,-0.3 -0.825 21.3-142.3-121.2 165.5 56.4 48.3 35.4 94 581 A L E - f 0 126A 2 31,-1.7 33,-2.3 -2,-0.3 2,-0.4 -0.978 13.6-141.0-125.8 149.9 53.7 46.2 37.0 95 582 A S E -df 36 127A 3 -60,-3.0 -58,-3.0 -2,-0.3 2,-0.4 -0.898 9.4-157.8-115.8 137.1 50.9 44.5 35.2 96 583 A V E - f 0 128A 0 31,-2.7 33,-2.7 -2,-0.4 2,-0.4 -0.938 18.4-126.5-118.9 131.2 47.3 44.2 36.4 97 584 A N E - f 0 129A 52 -2,-0.4 2,-0.4 -60,-0.4 33,-0.2 -0.621 29.1-156.9 -74.7 127.3 44.7 41.6 35.2 98 585 A I E - f 0 130A 13 31,-3.1 33,-0.5 -2,-0.4 2,-0.3 -0.893 8.5-136.0-111.7 139.1 41.6 43.2 34.0 99 586 A S > - 0 0 17 -2,-0.4 3,-2.1 -35,-0.1 4,-0.3 -0.665 18.3-128.7 -88.7 141.7 38.1 41.6 33.8 100 587 A T G > S+ 0 0 60 -2,-0.3 3,-1.3 1,-0.3 4,-0.3 0.757 108.7 70.4 -60.0 -21.2 36.0 42.2 30.6 101 588 A R G > S+ 0 0 86 1,-0.2 3,-0.8 2,-0.2 -1,-0.3 0.701 83.9 68.9 -67.8 -20.3 33.3 43.3 33.0 102 589 A Q G < S+ 0 0 0 -3,-2.1 6,-2.1 1,-0.2 -1,-0.2 0.667 87.5 65.8 -72.1 -17.2 35.3 46.4 33.8 103 590 A F G X S+ 0 0 4 -3,-1.3 3,-2.4 -4,-0.3 -1,-0.2 0.708 73.6 114.7 -75.3 -22.3 34.6 47.8 30.2 104 591 A E G X S- 0 0 131 -3,-0.8 3,-1.4 -4,-0.3 4,-0.1 -0.281 93.0 -1.0 -55.8 125.2 30.9 48.1 31.0 105 592 A G G 3 S- 0 0 38 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.636 122.3 -77.4 67.7 16.7 29.9 51.8 30.9 106 593 A E G <> S+ 0 0 74 -3,-2.4 4,-1.0 3,-0.1 3,-0.5 0.804 89.2 149.8 57.6 32.8 33.5 52.7 30.2 107 594 A H H X> + 0 0 43 -3,-1.4 4,-2.8 1,-0.2 3,-0.5 0.911 57.5 65.9 -58.5 -43.5 34.2 52.1 33.8 108 595 A L H 3> S+ 0 0 0 -6,-2.1 4,-2.8 1,-0.3 5,-0.2 0.832 96.6 54.9 -51.7 -42.1 37.8 50.9 33.2 109 596 A T H 3> S+ 0 0 15 -3,-0.5 4,-2.2 1,-0.2 -1,-0.3 0.928 113.6 41.8 -56.8 -48.0 38.9 54.3 32.0 110 597 A R H - 0 0 116 1,-0.1 3,-2.1 -2,-0.1 4,-0.2 -0.541 20.1-126.7 -67.0 136.4 52.8 57.6 35.8 123 610 A P G > S+ 0 0 40 0, 0.0 3,-1.9 0, 0.0 32,-0.4 0.812 106.8 67.6 -56.1 -32.0 50.7 55.8 33.3 124 611 A D G 3 S+ 0 0 64 1,-0.3 29,-0.1 28,-0.2 -2,-0.0 0.608 95.8 57.8 -65.9 -9.6 53.8 54.6 31.4 125 612 A C G < S+ 0 0 3 -3,-2.1 -31,-1.7 -32,-0.1 2,-0.4 0.423 94.4 79.8 -98.0 -3.7 54.6 52.4 34.5 126 613 A L E < -f 94 0A 1 -3,-1.9 29,-1.7 -33,-0.2 2,-0.4 -0.912 55.3-173.6-111.5 135.3 51.3 50.5 34.4 127 614 A E E -fg 95 155A 43 -33,-2.3 -31,-2.7 -2,-0.4 2,-0.4 -0.955 10.6-150.2-121.4 143.6 50.4 47.6 32.1 128 615 A L E -fg 96 156A 1 27,-2.8 29,-2.8 -2,-0.4 2,-0.5 -0.926 1.6-154.5-115.1 142.1 47.0 45.9 31.8 129 616 A E E -fg 97 157A 4 -33,-2.7 -31,-3.1 -2,-0.4 2,-0.4 -0.967 14.6-179.5-117.9 120.0 46.4 42.2 30.8 130 617 A I E -fg 98 158A 0 27,-2.6 29,-2.9 -2,-0.5 -31,-0.1 -0.960 34.8-103.6-122.1 135.8 43.0 41.4 29.2 131 618 A T E > - g 0 159A 49 -33,-0.5 3,-2.2 -2,-0.4 4,-0.2 -0.207 29.6-115.5 -63.5 147.8 42.1 37.8 28.2 132 619 A E G > S+ 0 0 0 27,-2.2 3,-2.2 1,-0.3 -1,-0.1 0.846 109.3 70.5 -49.8 -40.1 42.3 37.0 24.5 133 620 A N G > + 0 0 60 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.505 68.1 92.0 -65.9 -0.4 38.5 36.4 24.2 134 621 A V G X S+ 0 0 0 -3,-2.2 3,-1.4 1,-0.3 -1,-0.3 0.840 78.3 67.6 -53.7 -29.2 37.9 40.2 24.7 135 622 A X G X S+ 0 0 0 -3,-2.2 3,-0.6 30,-0.3 -1,-0.3 0.755 92.7 55.7 -66.2 -21.9 38.0 39.9 20.9 136 623 A L G < S+ 0 0 70 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.549 113.1 41.7 -84.9 -10.0 34.8 37.9 20.8 137 624 A V G < S+ 0 0 79 -3,-1.4 2,-0.8 -4,-0.4 -1,-0.2 -0.186 78.5 152.6-127.2 38.2 33.0 40.7 22.8 138 625 A X < + 0 0 22 -3,-0.6 2,-0.2 4,-0.1 -3,-0.1 -0.619 14.9 163.0 -78.8 105.7 34.5 43.7 21.0 139 626 A T > - 0 0 73 -2,-0.8 4,-2.5 1,-0.0 5,-0.2 -0.713 55.8 -99.9-115.9 168.3 32.0 46.6 21.2 140 627 A D H > S+ 0 0 117 -2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.843 124.3 57.1 -56.7 -33.4 32.4 50.4 20.6 141 628 A E H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 107.8 44.3 -63.0 -48.8 32.6 50.7 24.4 142 629 A V H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.946 114.4 50.1 -59.9 -48.8 35.5 48.3 24.7 143 630 A R H X S+ 0 0 67 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.879 108.6 52.9 -59.0 -41.1 37.3 50.0 21.7 144 631 A T H X S+ 0 0 64 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.910 111.0 46.2 -59.9 -47.2 36.7 53.4 23.4 145 632 A C H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.912 112.6 50.4 -59.7 -45.9 38.4 52.3 26.6 146 633 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.921 112.0 46.5 -62.5 -44.4 41.3 50.7 24.8 147 634 A D H X S+ 0 0 99 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.900 112.5 51.4 -63.4 -41.4 41.9 53.8 22.7 148 635 A A H X S+ 0 0 19 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.910 110.6 48.2 -61.1 -43.9 41.7 56.0 25.9 149 636 A L H X>S+ 0 0 0 -4,-2.6 5,-2.1 2,-0.2 4,-1.2 0.915 111.5 48.7 -66.6 -41.5 44.2 53.8 27.7 150 637 A R H <5S+ 0 0 35 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.912 109.5 53.8 -64.0 -40.0 46.7 53.8 24.8 151 638 A A H <5S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.839 106.8 51.7 -59.4 -38.9 46.3 57.6 24.7 152 639 A R H <5S- 0 0 88 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.739 120.7-111.9 -67.6 -27.2 47.1 57.8 28.4 153 640 A G T <5 + 0 0 33 -4,-1.2 2,-0.4 -3,-0.4 -3,-0.2 0.509 67.7 146.2 102.6 9.3 50.3 55.7 27.7 154 641 A V < - 0 0 0 -5,-2.1 -1,-0.3 -6,-0.2 2,-0.2 -0.646 47.2-128.1 -77.7 127.8 49.1 52.6 29.6 155 642 A R E -g 127 0A 87 -29,-1.7 -27,-2.8 -32,-0.4 2,-0.4 -0.564 20.6-153.2 -84.6 147.1 50.4 49.5 27.9 156 643 A L E -g 128 0A 1 19,-0.3 21,-1.9 -29,-0.2 22,-1.4 -0.963 12.5-178.2-126.2 131.7 47.9 46.7 27.0 157 644 A A E -gh 129 178A 11 -29,-2.8 -27,-2.6 -2,-0.4 2,-0.6 -0.950 27.4-122.7-130.0 150.6 48.6 43.0 26.6 158 645 A L E -gh 130 179A 0 20,-1.9 22,-2.8 -2,-0.3 3,-0.4 -0.829 33.6-151.1 -92.0 122.9 46.4 40.0 25.6 159 646 A D E +g 131 0A 10 -29,-2.9 -27,-2.2 -2,-0.6 3,-0.2 -0.502 68.7 21.1 -94.5 161.4 46.4 37.3 28.3 160 647 A D E > S- 0 0 52 1,-0.2 3,-2.1 -29,-0.2 4,-0.4 0.802 85.8-166.2 58.3 31.6 46.0 33.5 28.1 161 648 A F E 3 + h 0 181A 0 19,-2.2 21,-2.2 -3,-0.4 -1,-0.2 -0.273 64.0 25.6 -66.3 131.6 47.0 33.8 24.5 162 649 A G T 3 S+ 0 0 0 -3,-0.2 250,-0.7 19,-0.1 -1,-0.3 0.093 105.3 79.3 106.4 -18.8 46.3 30.8 22.3 163 650 A T S < S+ 0 0 67 -3,-2.1 -2,-0.2 248,-0.1 2,-0.1 0.523 98.0 40.8 -91.3 -11.2 43.5 29.5 24.5 164 651 A G S S- 0 0 1 -4,-0.4 2,-0.4 245,-0.1 247,-0.3 -0.171 94.5 -83.4-112.6-152.1 41.0 32.0 23.0 165 652 A Y - 0 0 43 245,-0.2 2,-0.4 -2,-0.1 -30,-0.3 -0.984 34.5-166.3-127.1 135.5 40.2 33.4 19.6 166 653 A S B -K 409 0B 3 243,-3.0 243,-2.9 -2,-0.4 2,-0.5 -0.944 15.3-145.9-122.7 143.9 41.9 36.2 17.7 167 654 A S > - 0 0 3 -2,-0.4 4,-2.6 241,-0.2 5,-0.2 -0.937 12.8-148.3-100.6 123.8 40.9 38.3 14.7 168 655 A L H > S+ 0 0 9 -2,-0.5 4,-2.3 239,-0.4 5,-0.2 0.885 100.3 52.2 -60.9 -37.8 44.0 39.3 12.7 169 656 A S H > S+ 0 0 20 236,-1.4 4,-2.8 238,-0.3 -1,-0.2 0.905 112.0 46.1 -64.7 -39.1 42.4 42.5 11.6 170 657 A Y H > S+ 0 0 42 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.892 109.3 54.5 -67.2 -40.8 41.6 43.4 15.3 171 658 A L H < S+ 0 0 4 -4,-2.6 5,-0.4 1,-0.2 -2,-0.2 0.930 115.0 41.1 -59.4 -43.5 45.1 42.4 16.4 172 659 A S H < S+ 0 0 18 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.947 121.4 39.9 -65.6 -50.7 46.4 44.8 13.8 173 660 A Q H < S+ 0 0 116 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.842 101.2 78.8 -73.4 -36.2 43.9 47.7 14.4 174 661 A L S < S- 0 0 13 -4,-3.0 2,-1.6 -5,-0.2 -31,-0.0 -0.406 88.7-113.3 -77.6 149.3 43.6 47.5 18.3 175 662 A P + 0 0 30 0, 0.0 2,-0.6 0, 0.0 -19,-0.3 -0.280 58.6 146.6 -83.8 55.1 46.3 49.1 20.5 176 663 A F - 0 0 12 -2,-1.6 -19,-0.2 -5,-0.4 -21,-0.1 -0.819 28.7-170.4 -91.2 120.0 47.7 45.9 22.0 177 664 A H - 0 0 73 -21,-1.9 35,-2.7 -2,-0.6 2,-0.3 0.738 66.0 -7.7 -76.8 -26.7 51.5 46.2 22.7 178 665 A G E -hi 157 212A 7 -22,-1.4 -20,-1.9 33,-0.3 2,-0.3 -0.928 54.5-135.0-157.9 174.6 51.9 42.6 23.5 179 666 A L E -hi 158 213A 1 33,-2.2 35,-2.2 -2,-0.3 2,-0.5 -0.957 16.2-136.1-137.9 161.6 50.5 39.2 24.2 180 667 A K E - i 0 214A 2 -22,-2.8 -19,-2.2 -2,-0.3 2,-0.3 -0.971 21.4-132.0-122.1 116.8 51.3 36.5 26.9 181 668 A I E -hi 161 215A 0 33,-2.1 35,-1.9 -2,-0.5 -19,-0.1 -0.504 34.8-106.2 -70.1 128.4 51.5 32.9 25.7 182 669 A D >> - 0 0 19 -21,-2.2 3,-1.7 -2,-0.3 4,-1.5 -0.258 17.8-128.0 -57.0 138.3 49.5 30.7 27.9 183 670 A Q H 3> S+ 0 0 85 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.742 103.1 72.7 -55.8 -26.9 51.5 28.5 30.4 184 671 A S H 34 S+ 0 0 53 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.777 105.6 36.4 -64.7 -28.1 49.6 25.4 29.1 185 672 A F H X4 S+ 0 0 18 -3,-1.7 3,-1.3 2,-0.1 -1,-0.2 0.896 117.5 48.7 -85.5 -47.6 51.5 25.5 25.9 186 673 A V H >< S+ 0 0 0 -4,-1.5 3,-1.9 30,-0.3 -2,-0.2 0.883 102.5 63.6 -63.8 -40.3 54.9 26.7 27.2 187 674 A R T 3< S+ 0 0 76 -4,-2.7 -1,-0.3 1,-0.3 -3,-0.1 0.699 106.8 45.4 -49.3 -30.1 54.9 24.0 29.9 188 675 A K T <> S+ 0 0 78 -3,-1.3 4,-2.5 -5,-0.2 -1,-0.3 0.294 89.6 146.1-107.6 4.4 54.9 21.3 27.2 189 676 A I T <4 - 0 0 4 -3,-1.9 34,-0.1 1,-0.2 37,-0.1 -0.651 63.6 -1.2 -94.2 151.9 57.6 22.6 24.8 190 677 A P T 4 S+ 0 0 36 0, 0.0 -1,-0.2 0, 0.0 6,-0.2 -0.960 124.1 62.8 -83.8 -6.3 59.7 21.2 23.0 191 678 A A T 4 S+ 0 0 83 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.768 100.6 54.2 -51.1 -40.2 58.7 17.7 24.2 192 679 A H S X S- 0 0 84 -4,-2.5 4,-2.3 1,-0.2 3,-0.2 -0.890 74.9-157.5-102.2 105.9 55.2 17.8 22.8 193 680 A P H > S+ 0 0 102 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.820 89.0 56.9 -52.4 -35.9 55.4 18.8 19.1 194 681 A S H > S+ 0 0 41 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.948 110.8 40.4 -61.0 -53.0 51.8 20.1 19.1 195 682 A E H > S+ 0 0 36 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.866 113.9 55.9 -63.2 -36.7 52.3 22.6 21.9 196 683 A T H X S+ 0 0 18 -4,-2.3 4,-2.3 -8,-0.3 -2,-0.2 0.905 107.0 49.0 -62.2 -42.1 55.7 23.4 20.4 197 684 A Q H X S+ 0 0 71 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.877 108.7 53.7 -62.0 -41.3 54.0 24.3 17.1 198 685 A I H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.929 109.6 47.6 -60.0 -45.8 51.4 26.5 18.9 199 686 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.941 111.9 49.5 -62.0 -46.7 54.2 28.4 20.5 200 687 A T H X S+ 0 0 45 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.887 111.3 50.0 -59.1 -40.7 56.1 28.8 17.2 201 688 A T H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.925 110.8 48.6 -64.9 -44.4 52.9 30.0 15.5 202 689 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.919 109.7 52.7 -65.1 -41.8 52.1 32.6 18.2 203 690 A L H X S+ 0 0 6 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.893 109.5 49.1 -59.0 -39.8 55.7 33.9 18.1 204 691 A A H X S+ 0 0 12 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.894 110.8 50.8 -67.3 -40.0 55.4 34.4 14.3 205 692 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.955 112.8 45.0 -59.6 -50.6 52.1 36.2 14.8 206 693 A A H <>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 4,-0.4 0.936 113.8 48.2 -64.6 -46.0 53.5 38.6 17.3 207 694 A R H ><5S+ 0 0 153 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.931 110.5 53.6 -58.7 -43.2 56.7 39.3 15.4 208 695 A G H 3<5S+ 0 0 23 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.848 114.5 40.2 -60.8 -36.4 54.6 39.9 12.2 209 696 A L T 3<5S- 0 0 12 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.288 113.5-112.4 -98.0 8.2 52.4 42.5 14.0 210 697 A G T < 5 + 0 0 68 -3,-1.3 2,-0.3 -4,-0.4 -3,-0.2 0.812 67.4 147.8 62.6 32.2 55.2 44.2 16.0 211 698 A X < - 0 0 8 -5,-2.8 -33,-0.3 -6,-0.2 -1,-0.2 -0.772 46.1-125.2 -99.2 143.5 53.9 42.9 19.3 212 699 A E E -i 178 0A 84 -35,-2.7 -33,-2.2 -2,-0.3 2,-0.4 -0.508 25.0-142.8 -80.4 152.3 56.0 42.0 22.3 213 700 A V E -i 179 0A 2 -35,-0.2 21,-2.4 18,-0.2 2,-0.5 -0.976 17.1-169.5-122.8 134.4 55.7 38.5 23.9 214 701 A V E -ij 180 234A 18 -35,-2.2 -33,-2.1 -2,-0.4 2,-0.8 -0.985 18.5-151.0-108.4 119.6 55.8 37.2 27.5 215 702 A A E -ij 181 235A 0 19,-2.2 21,-2.3 -2,-0.5 3,-0.4 -0.839 16.6-156.0 -87.3 116.3 55.9 33.5 27.5 216 703 A E + 0 0 17 -35,-1.9 -30,-0.3 -2,-0.8 21,-0.2 -0.575 65.9 36.7 -86.7 155.9 54.2 32.3 30.8 217 704 A G + 0 0 3 19,-0.4 2,-0.5 1,-0.2 20,-0.3 0.694 65.1 170.7 80.9 22.8 54.9 29.0 32.5 218 705 A I + 0 0 0 18,-2.2 21,-2.3 -3,-0.4 22,-0.4 -0.561 7.1 158.4 -68.8 114.8 58.7 28.7 31.8 219 706 A E + 0 0 84 -2,-0.5 2,-0.3 19,-0.2 -1,-0.2 0.615 51.8 47.0-112.3 -22.7 59.7 25.7 34.0 220 707 A T S > S- 0 0 53 1,-0.1 4,-2.1 0, 0.0 3,-0.2 -0.901 72.4-124.4-128.4 153.2 63.0 24.5 32.4 221 708 A A H > S+ 0 0 73 -2,-0.3 4,-2.4 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-19,-0.5 -0.982 27.4 121.7-147.7 144.5 43.9 35.4 -8.0 480 724 B G >> - 0 0 2 -199,-0.4 4,-2.5 4,-0.4 3,-0.9 -0.887 69.1 -88.9 170.3 162.9 42.3 38.6 -9.1 481 725 B N T 34 S+ 0 0 102 -2,-0.3 4,-0.3 1,-0.3 -19,-0.2 0.711 113.4 73.3 -63.3 -21.0 40.7 40.7 -11.8 482 726 B L T 34 S+ 0 0 78 -21,-2.0 -1,-0.3 2,-0.2 -20,-0.1 0.945 114.3 22.6 -52.4 -50.7 44.1 42.0 -12.7 483 727 B X T <4 S- 0 0 61 -3,-0.9 2,-0.3 -22,-0.3 -2,-0.2 0.922 140.2 -22.7 -83.8 -51.0 44.9 38.5 -14.3 484 728 B S < - 0 0 16 -4,-2.5 -4,-0.4 -203,-0.2 -1,-0.3 -0.874 51.6-135.2-167.9 127.4 41.4 37.2 -15.0 485 729 B T - 0 0 63 -4,-0.3 -206,-0.1 -2,-0.3 2,-0.1 -0.244 63.0 -63.6 -65.1 168.6 37.8 37.7 -13.8 486 730 B P - 0 0 29 0, 0.0 2,-0.4 0, 0.0 -206,-0.3 -0.404 67.0-153.4 -55.4 135.8 35.7 34.5 -13.1 487 731 B Q E -M 279 0C 51 -208,-2.4 -208,-2.6 -3,-0.1 -3,-0.0 -0.905 16.2-110.0-121.6 144.7 35.4 32.8 -16.5 488 732 B A E > -M 278 0C 42 -2,-0.4 4,-2.6 -210,-0.2 3,-0.3 -0.282 47.3-100.0 -59.9 155.7 32.9 30.4 -18.1 489 733 B A H > S+ 0 0 19 -212,-0.6 4,-2.6 1,-0.2 5,-0.2 0.878 123.0 49.7 -49.4 -47.3 34.3 26.9 -18.6 490 734 B D H > S+ 0 0 125 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.899 112.2 47.0 -63.3 -41.5 35.1 27.4 -22.3 491 735 B A H > S+ 0 0 35 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.880 112.5 50.3 -63.8 -41.0 36.9 30.7 -21.6 492 736 B F H >X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 3,-0.5 0.936 109.3 51.3 -61.3 -46.5 38.9 29.1 -18.8 493 737 B A H 3X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.799 102.7 60.1 -65.2 -31.3 39.8 26.2 -21.0 494 738 B S H 3X S+ 0 0 42 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.867 103.6 51.3 -57.7 -41.4 41.1 28.6 -23.7 495 739 B L H