==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 09-NOV-11 3UK8 . COMPND 2 MOLECULE: CADMIUM-SPECIFIC CARBONIC ANHYDRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THALASSIOSIRA WEISSFLOGII; . AUTHOR V.ALTERIO,G.DE SIMONE . 423 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17065.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.3 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 . 2 0.5 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 . 36 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 4.3 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 2 3 1 0 4 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 4 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 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 -3 A G 0 0 106 0, 0.0 2,-0.2 0, 0.0 183,-0.2 0.000 360.0 360.0 360.0 165.5 62.8 -11.6 42.1 2 -2 A S - 0 0 31 181,-2.5 2,-0.3 180,-0.2 184,-0.2 -0.618 360.0-137.5-106.0 173.0 65.8 -12.9 40.1 3 -1 A H - 0 0 139 -2,-0.2 2,-0.5 183,-0.1 186,-0.3 -0.896 21.2 -87.7-136.1 166.7 68.1 -15.3 41.5 4 0 A M - 0 0 46 -2,-0.3 184,-0.0 1,-0.1 176,-0.0 -0.639 26.8-175.2 -82.1 124.2 71.7 -16.0 41.6 5 433 A S + 0 0 82 -2,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.525 67.9 67.5 -85.6 -24.6 72.9 -18.0 38.9 6 434 A I S S- 0 0 29 2,-0.0 -2,-0.1 3,-0.0 183,-0.0 -0.773 76.3-129.5-109.5 148.3 76.4 -18.3 40.3 7 435 A T > - 0 0 62 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.556 26.9-108.1 -96.8 162.4 77.6 -20.1 43.5 8 436 A P H > S+ 0 0 33 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.925 118.9 50.3 -55.3 -49.6 79.8 -18.6 46.3 9 437 A P H > S+ 0 0 72 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.866 110.3 51.8 -59.1 -33.6 82.9 -20.6 45.4 10 438 A Q H > S+ 0 0 97 2,-0.2 4,-3.7 1,-0.2 5,-0.2 0.895 106.8 52.7 -67.9 -39.8 82.5 -19.4 41.8 11 439 A I H X S+ 0 0 6 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.964 110.9 47.6 -58.0 -50.4 82.2 -15.8 43.1 12 440 A V H X S+ 0 0 7 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.925 112.8 48.1 -55.4 -48.6 85.5 -16.4 44.9 13 441 A S H X S+ 0 0 76 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.954 110.6 52.1 -57.4 -49.8 87.0 -17.9 41.8 14 442 A A H X S+ 0 0 49 -4,-3.7 4,-0.7 1,-0.2 -2,-0.2 0.896 112.6 45.4 -52.9 -44.7 85.8 -15.0 39.8 15 443 A L H ><>S+ 0 0 10 -4,-2.8 5,-2.3 2,-0.2 3,-1.5 0.948 111.2 50.0 -66.8 -50.1 87.4 -12.6 42.3 16 444 A R H ><5S+ 0 0 150 -4,-3.1 3,-1.7 1,-0.3 -1,-0.2 0.851 105.8 59.7 -57.2 -32.5 90.7 -14.4 42.5 17 445 A G H 3<5S+ 0 0 70 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.792 102.7 51.6 -65.9 -26.3 90.7 -14.3 38.7 18 446 A R T <<5S- 0 0 95 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.278 131.5 -96.0 -92.1 9.7 90.6 -10.5 38.9 19 447 A G T < 5S+ 0 0 57 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.642 80.5 140.2 86.9 15.3 93.6 -10.6 41.2 20 448 A W < - 0 0 13 -5,-2.3 2,-0.5 -6,-0.1 -1,-0.3 -0.488 54.4-129.1 -89.1 159.7 91.6 -10.5 44.5 21 449 A K E +a 208 0A 150 186,-2.6 188,-2.6 -2,-0.2 2,-0.3 -0.936 44.1 169.3-102.0 127.5 92.2 -12.3 47.7 22 450 A A E +a 209 0A 5 -2,-0.5 2,-0.3 186,-0.2 188,-0.2 -0.997 14.9 166.9-148.5 144.2 88.8 -13.9 48.6 23 451 A S E -a 210 0A 52 186,-1.7 188,-2.9 -2,-0.3 2,-0.5 -0.910 34.7-104.2-146.0 171.5 87.3 -16.4 51.0 24 452 A I E -a 211 0A 70 -2,-0.3 2,-0.4 186,-0.2 188,-0.2 -0.895 29.4-165.7-107.2 125.1 84.0 -17.7 52.4 25 453 A V E -a 212 0A 24 186,-2.7 188,-2.3 -2,-0.5 2,-0.4 -0.886 19.0-126.8-110.3 138.5 82.9 -16.7 55.8 26 454 A K E > -a 213 0A 106 -2,-0.4 3,-2.3 186,-0.2 4,-0.3 -0.691 14.1-132.0 -84.8 134.5 80.1 -18.5 57.7 27 455 A A G > S+ 0 0 18 186,-2.8 3,-1.7 -2,-0.4 7,-0.2 0.777 106.1 68.8 -53.9 -26.9 77.3 -16.3 59.0 28 456 A S G > S+ 0 0 98 185,-0.3 3,-0.7 1,-0.3 -1,-0.3 0.778 92.1 58.8 -64.7 -24.8 77.7 -18.1 62.4 29 457 A T G < S+ 0 0 91 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.497 112.3 40.0 -81.5 -3.5 81.1 -16.4 62.7 30 458 A M G X> + 0 0 9 -3,-1.7 4,-2.3 -4,-0.3 3,-1.3 0.162 67.6 132.1-129.1 14.6 79.4 -13.0 62.6 31 459 A S T <4 S+ 0 0 100 -3,-0.7 -2,-0.1 1,-0.3 -3,-0.1 0.787 79.3 52.9 -34.8 -34.8 76.3 -13.7 64.6 32 460 A S T 34 S+ 0 0 90 -4,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.848 114.1 33.9 -75.5 -41.6 77.2 -10.5 66.3 33 461 A E T <4 S+ 0 0 75 -3,-1.3 2,-0.4 2,-0.0 134,-0.3 0.836 91.9 96.8 -86.9 -35.1 77.6 -8.1 63.3 34 462 A L < - 0 0 17 -4,-2.3 2,-0.4 -7,-0.2 132,-0.2 -0.408 59.5-167.5 -60.3 114.6 74.9 -9.4 61.1 35 463 A K E -D 165 0B 118 130,-2.5 130,-2.2 -2,-0.4 2,-0.1 -0.866 23.7-114.1-110.3 139.4 71.8 -7.3 61.7 36 464 A R E -D 164 0B 178 -2,-0.4 128,-0.3 128,-0.2 2,-0.1 -0.445 46.2 -97.8 -66.9 139.8 68.3 -8.1 60.5 37 465 A V - 0 0 24 126,-2.9 21,-0.2 -2,-0.1 -1,-0.1 -0.385 31.3-149.1 -64.7 132.0 67.1 -5.6 57.9 38 466 A D > - 0 0 67 19,-1.7 3,-2.9 -2,-0.1 -1,-0.1 -0.915 9.5-143.1-102.8 117.7 64.9 -2.8 59.3 39 467 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 18,-0.1 0.600 100.3 61.6 -56.2 -10.5 62.4 -1.6 56.7 40 468 A Q T 3 S+ 0 0 142 16,-0.1 2,-0.2 52,-0.1 18,-0.1 0.518 84.7 95.5 -93.8 -6.9 62.9 2.0 58.1 41 469 A G S < S- 0 0 0 -3,-2.9 52,-1.7 16,-0.2 15,-0.2 -0.576 82.5-109.4 -83.5 147.1 66.6 2.0 57.2 42 470 A I E -e 93 0C 0 13,-2.1 2,-0.9 -2,-0.2 16,-0.3 -0.505 21.7-120.5 -76.6 143.7 67.7 3.5 53.9 43 471 A L E +e 94 0C 0 50,-2.6 52,-0.6 -2,-0.2 22,-0.4 -0.780 56.7 174.8 -80.1 110.0 69.0 1.3 51.1 44 472 A K B -f 60 0D 5 15,-1.6 17,-3.0 -2,-0.9 20,-0.2 -0.637 29.9 -73.3-120.9 177.7 72.4 2.9 50.9 45 473 A C - 0 0 8 15,-0.2 -1,-0.2 -2,-0.2 131,-0.1 -0.165 36.0-119.6 -67.3 159.3 75.8 2.8 49.3 46 474 A V + 0 0 9 15,-0.2 130,-1.2 14,-0.1 -1,-0.1 0.565 69.2 138.4 -73.9 -9.3 78.5 0.2 50.1 47 475 A D - 0 0 6 14,-0.2 127,-0.1 128,-0.2 129,-0.0 -0.025 48.0-151.3 -38.2 134.5 80.6 3.3 51.1 48 476 A G + 0 0 0 120,-0.1 121,-0.6 125,-0.1 126,-0.2 0.458 59.2 102.5 -95.4 -0.1 82.5 2.5 54.3 49 477 A R S S- 0 0 5 1,-0.1 100,-0.1 119,-0.1 121,-0.1 -0.280 76.6-100.8 -80.6 166.3 82.7 6.0 55.7 50 478 A G + 0 0 10 98,-0.4 98,-1.7 120,-0.1 2,-0.3 -0.379 46.8 169.0 -78.8 164.7 80.7 7.6 58.5 51 479 A S B -G 147 0E 29 96,-0.3 96,-0.2 2,-0.2 119,-0.1 -0.892 50.2 -87.4-159.6-173.4 77.8 9.9 57.5 52 480 A D S S+ 0 0 63 94,-1.9 95,-0.1 -2,-0.3 -2,-0.0 0.208 72.1 140.9 -93.6 15.8 74.8 11.8 58.9 53 481 A N + 0 0 16 93,-0.2 -2,-0.2 1,-0.1 3,-0.1 -0.319 23.6 171.2 -61.5 138.4 72.5 8.8 58.3 54 482 A T + 0 0 112 1,-0.1 2,-0.6 2,-0.0 -1,-0.1 0.221 61.6 81.8-128.6 6.2 70.0 8.2 61.1 55 483 A Q + 0 0 68 38,-0.0 -13,-2.1 -13,-0.0 3,-0.4 -0.714 66.2 176.2-117.1 78.4 68.0 5.4 59.3 56 484 A F + 0 0 123 -2,-0.6 -16,-0.1 -15,-0.2 -18,-0.1 -0.199 46.0 54.9 -79.9 168.9 70.1 2.3 59.9 57 485 A G S S+ 0 0 6 1,-0.3 -19,-1.7 -16,-0.1 -16,-0.2 0.528 71.7 133.1 87.6 6.7 69.4 -1.3 59.0 58 486 A G - 0 0 1 -3,-0.4 -1,-0.3 -16,-0.3 -16,-0.2 -0.533 62.0 -94.3 -89.8 157.6 69.0 -0.9 55.3 59 487 A P - 0 0 0 0, 0.0 -15,-1.6 0, 0.0 2,-0.5 -0.335 37.3-125.6 -69.2 151.9 70.6 -3.0 52.5 60 488 A K B +f 44 0D 2 -17,-0.2 118,-2.3 -14,-0.1 -15,-0.2 -0.866 36.0 158.1-105.8 129.2 73.9 -1.9 51.0 61 489 A M > - 0 0 0 -17,-3.0 3,-2.8 -2,-0.5 -14,-0.2 -0.991 52.4 -80.4-144.8 147.4 74.4 -1.4 47.2 62 490 A P T 3 >S- 0 0 4 0, 0.0 5,-0.8 0, 0.0 6,-0.1 -0.254 116.6 -4.2 -50.8 122.7 76.9 0.6 45.1 63 491 A G T > 5S- 0 0 0 3,-0.2 3,-1.7 2,-0.1 2,-0.2 0.700 111.9 -99.5 65.5 20.5 75.6 4.2 45.0 64 492 A G T X 5S- 0 0 0 -3,-2.8 3,-1.4 1,-0.3 4,-0.3 -0.519 100.6 -2.2 68.7-131.0 72.5 3.2 46.9 65 493 A I T >>5S+ 0 0 0 30,-2.0 4,-1.6 -22,-0.4 3,-0.9 0.633 119.0 82.9 -69.5 -11.3 69.7 2.8 44.4 66 494 A Y H <>5S+ 0 0 5 -3,-1.7 4,-3.4 29,-0.3 -1,-0.3 0.849 81.6 65.1 -59.6 -30.4 72.0 3.9 41.6 67 495 A A H <> S+ 0 0 0 -3,-0.9 4,-2.1 -4,-0.3 -1,-0.2 0.920 114.6 44.1 -69.4 -44.6 69.6 -0.8 40.5 69 497 A A H X>S+ 0 0 2 -4,-1.6 5,-2.5 2,-0.2 4,-1.1 0.895 114.7 51.0 -66.0 -40.1 69.4 1.8 37.7 70 498 A H H <5S+ 0 0 3 -4,-3.4 3,-0.5 2,-0.2 -2,-0.2 0.940 111.0 46.8 -62.7 -49.1 73.0 1.0 36.7 71 499 A N H <5S+ 0 0 10 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.898 117.2 43.6 -61.0 -42.5 72.3 -2.8 36.4 72 500 A R H <5S- 0 0 92 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.572 109.4-119.7 -81.1 -11.6 69.1 -2.2 34.5 73 501 A G T <5 + 0 0 31 -4,-1.1 2,-0.6 -3,-0.5 -3,-0.2 0.816 55.9 158.2 75.9 27.5 70.5 0.4 32.2 74 502 A V < + 0 0 40 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.788 8.0 167.1 -86.9 121.1 68.0 3.0 33.3 75 503 A T + 0 0 17 -2,-0.6 52,-2.4 -3,-0.1 2,-0.3 0.280 38.1 90.2-122.4 12.6 69.5 6.4 32.5 76 504 A T S > S- 0 0 63 50,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.763 73.4-125.3-112.1 157.6 66.7 9.0 32.9 77 505 A L H > S+ 0 0 50 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.904 114.4 51.2 -63.0 -40.1 65.6 11.1 35.9 78 506 A E H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 110.2 48.2 -63.4 -44.0 62.0 9.7 35.4 79 507 A G H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.882 110.2 53.4 -62.9 -36.6 63.3 6.2 35.4 80 508 A L H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.869 107.4 50.5 -65.4 -36.9 65.3 7.0 38.5 81 509 A K H X S+ 0 0 24 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.868 107.5 54.4 -69.5 -34.5 62.1 8.3 40.2 82 510 A D H X S+ 0 0 89 -4,-2.0 4,-2.4 1,-0.2 3,-0.2 0.966 109.7 46.7 -59.9 -53.0 60.4 5.0 39.2 83 511 A I H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.860 108.0 57.3 -57.7 -36.7 63.1 3.1 40.9 84 512 A T H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.917 112.1 40.3 -62.1 -43.4 62.9 5.3 43.9 85 513 A R H X S+ 0 0 119 -4,-2.0 4,-1.7 -3,-0.2 -1,-0.2 0.810 111.8 57.1 -74.6 -30.4 59.2 4.5 44.4 86 514 A E H X S+ 0 0 40 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.953 109.0 46.0 -63.6 -48.8 59.7 0.9 43.6 87 515 A V H ><>S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 5,-1.5 0.921 109.8 53.8 -59.6 -46.6 62.3 0.6 46.4 88 516 A A H ><5S+ 0 0 58 -4,-1.8 3,-0.7 1,-0.3 -1,-0.2 0.845 109.2 49.8 -58.5 -33.3 60.1 2.4 48.8 89 517 A S H 3<5S+ 0 0 96 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.539 103.7 61.2 -84.3 -6.2 57.3 -0.0 48.0 90 518 A K T <<5S- 0 0 78 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.015 126.0 -84.0-109.7 28.4 59.5 -3.1 48.6 91 519 A G T < 5S+ 0 0 33 -3,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.637 96.9 92.9 86.5 17.2 60.4 -2.5 52.2 92 520 A H S -hI 147 103E 8 4,-2.0 4,-0.7 47,-0.3 49,-0.2 -0.794 25.8-101.1-138.8-174.8 79.9 13.9 50.9 100 528 A H T 4 S+ 0 0 89 47,-1.0 48,-0.1 -2,-0.2 4,-0.1 0.743 113.8 54.2 -84.8 -21.4 81.3 17.1 52.3 101 529 A S T 4 S+ 0 0 98 48,-0.2 -1,-0.1 1,-0.1 47,-0.0 0.941 130.0 9.9 -76.1 -50.4 84.5 17.1 50.2 102 530 A S T >4 S- 0 0 59 1,-0.3 3,-2.0 2,-0.0 4,-0.2 0.164 90.8-143.5-117.3 18.0 82.9 16.8 46.7 103 531 A D B >< S-I 99 0E 50 -4,-0.7 3,-2.5 1,-0.3 -4,-2.0 -0.237 79.8 -5.5 52.2-142.6 79.2 17.3 47.5 104 532 A M G > S+ 0 0 7 1,-0.3 3,-0.9 -6,-0.3 -1,-0.3 0.680 132.1 64.8 -56.7 -18.9 77.0 15.0 45.2 105 533 A L G < S+ 0 0 72 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.342 77.6 96.8 -83.6 10.8 80.1 13.9 43.4 106 534 A G G < + 0 0 4 -3,-2.5 2,-0.8 -7,-0.2 -1,-0.2 0.512 59.0 88.2 -75.6 -7.2 81.0 12.5 46.7 107 535 A C <> - 0 0 1 -3,-0.9 4,-2.3 -10,-0.3 5,-0.2 -0.855 65.2-159.8 -95.3 112.0 79.7 9.0 45.7 108 536 A G H > S+ 0 0 14 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.918 88.0 54.4 -56.7 -45.9 82.5 7.2 44.1 109 537 A F H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.957 111.1 42.6 -54.5 -57.4 80.2 4.8 42.3 110 538 A F H > S+ 0 0 1 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.881 112.0 54.2 -60.3 -38.9 78.1 7.4 40.6 111 539 A K H X S+ 0 0 107 -4,-2.3 4,-2.7 1,-0.2 6,-0.3 0.938 109.0 49.7 -60.6 -43.2 81.1 9.5 39.7 112 540 A L H <>S+ 0 0 8 -4,-2.6 5,-2.5 -5,-0.2 6,-0.5 0.932 114.6 44.7 -58.6 -45.5 82.6 6.4 38.0 113 541 A W H ><5S+ 0 0 3 -4,-2.3 3,-1.4 -5,-0.2 5,-0.3 0.935 113.9 48.2 -64.8 -48.5 79.3 5.9 36.1 114 542 A L H 3<5S+ 0 0 52 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.883 111.1 51.0 -60.8 -40.4 78.9 9.5 35.2 115 543 A T T 3<5S- 0 0 77 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.354 117.0-110.2 -83.7 8.0 82.4 9.8 33.9 116 544 A G T X 5S+ 0 0 7 -3,-1.4 3,-2.3 -4,-0.2 4,-0.3 0.636 70.8 141.3 77.2 15.8 82.2 6.7 31.7 117 545 A R T 3 >S+ 0 0 1 -6,-0.5 5,-1.8 -5,-0.3 3,-0.7 0.294 76.2 101.1-105.0 7.0 82.0 1.7 32.9 119 547 A D G X 5S+ 0 0 69 -3,-2.3 3,-2.3 1,-0.3 -2,-0.1 0.917 78.0 55.0 -57.1 -47.3 82.1 2.2 29.1 120 548 A D G 3 5S+ 0 0 170 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.775 105.5 54.5 -58.6 -26.3 84.4 -0.7 28.6 121 549 A M G < 5S- 0 0 71 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.341 119.1-111.2 -90.4 6.7 81.9 -2.9 30.3 122 550 A G T < 5 + 0 0 64 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.710 62.2 153.7 74.4 23.1 79.1 -1.8 28.0 123 551 A Y < - 0 0 18 -5,-1.8 -1,-0.2 -7,-0.1 2,-0.2 -0.679 46.3-122.2 -88.9 133.2 77.0 0.3 30.4 124 552 A P - 0 0 67 0, 0.0 -51,-0.1 0, 0.0 3,-0.1 -0.533 33.5-121.6 -70.0 135.1 74.8 3.1 29.2 125 553 A R - 0 0 127 -2,-0.2 -11,-0.1 1,-0.1 -12,-0.1 -0.374 31.1 -96.5 -74.9 157.6 75.9 6.3 31.0 126 554 A P - 0 0 12 0, 0.0 -50,-0.1 0, 0.0 -51,-0.1 -0.406 23.7-138.7 -70.0 153.5 73.4 8.2 33.0 127 555 A E S S+ 0 0 139 -52,-2.4 2,-0.3 -3,-0.1 -50,-0.2 -0.075 81.9 53.3-104.1 34.5 71.7 11.1 31.2 128 556 A F S S- 0 0 9 -52,-0.1 2,-0.1 -51,-0.0 -52,-0.0 -0.970 82.5-111.0-158.6 156.7 71.9 13.4 34.2 129 557 A D > - 0 0 68 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.303 40.5 -94.0 -88.6 177.8 74.5 14.7 36.6 130 558 A A H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.821 123.7 51.7 -60.7 -34.6 74.9 13.9 40.3 131 559 A D H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.910 110.6 47.2 -70.1 -42.6 73.0 17.0 41.3 132 560 A Q H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.912 112.0 50.9 -64.8 -43.9 70.0 16.2 39.1 133 561 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.938 110.3 47.7 -59.8 -49.5 69.9 12.6 40.3 134 562 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.921 113.9 46.1 -58.6 -48.0 69.9 13.4 44.0 135 563 A L H X S+ 0 0 5 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.857 111.4 53.1 -65.4 -34.4 67.2 16.0 43.7 136 564 A A H X S+ 0 0 3 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.918 110.5 47.0 -66.1 -43.9 65.1 13.7 41.5 137 565 A V H <>S+ 0 0 0 -4,-2.5 5,-3.0 2,-0.2 3,-0.3 0.939 113.7 48.4 -62.6 -46.4 65.4 10.9 44.2 138 566 A R H ><5S+ 0 0 36 -4,-2.7 3,-2.3 1,-0.2 -2,-0.2 0.943 109.5 51.6 -58.3 -51.1 64.5 13.4 47.0 139 567 A A H 3<5S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.771 106.3 55.8 -58.4 -28.6 61.5 14.8 45.1 140 568 A A T 3<5S- 0 0 20 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.289 133.0 -90.1 -89.0 11.2 60.3 11.2 44.5 141 569 A G T < 5S+ 0 0 43 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.2 0.482 85.7 130.0 97.9 3.2 60.4 10.6 48.3 142 570 A G < - 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0 0 2 -3,-0.4 -1,-0.3 -16,-0.3 -16,-0.2 -0.465 61.3 -94.1 -87.2 158.8 60.8 25.1 64.1 269 487 B P - 0 0 0 0, 0.0 -15,-1.4 0, 0.0 2,-0.5 -0.338 37.1-126.8 -69.8 153.4 60.3 28.8 63.3 270 488 B K B +o 254 0I 3 -17,-0.2 118,-2.2 -14,-0.1 -15,-0.2 -0.884 35.9 156.5-108.0 129.6 58.7 29.8 60.0 271 489 B M > - 0 0 0 -17,-2.8 3,-2.4 -2,-0.5 -15,-0.4 -0.979 53.0 -77.1-144.7 153.8 60.2 32.2 57.4 272 490 B P T 3 >S- 0 0 4 0, 0.0 5,-0.8 0, 0.0 6,-0.1 -0.308 116.5 -6.5 -55.9 122.4 59.7 32.7 53.7 273 491 B G T > 5S- 0 0 0 3,-0.2 3,-1.6 2,-0.1 2,-0.3 0.716 111.3 -97.9 64.6 21.6 61.6 30.0 51.8 274 492 B G T X 5S- 0 0 0 -3,-2.4 3,-1.5 -20,-0.3 4,-0.4 -0.530 101.9 -1.6 69.5-130.7 63.1 28.8 55.1 275 493 B I T >>5S+ 0 0 0 30,-1.9 4,-1.7 -22,-0.4 3,-0.8 0.622 118.2 84.1 -70.1 -9.7 66.6 30.2 55.5 276 494 B Y H <>5S+ 0 0 7 -3,-1.6 4,-3.4 29,-0.3 -1,-0.3 0.830 80.5 64.7 -60.7 -28.6 66.3 31.9 52.1 277 495 B A H <> S+ 0 0 0 -3,-0.8 4,-2.2 -4,-0.4 6,-0.2 0.954 115.1 42.5 -65.7 -50.8 67.7 35.4 55.9 279 497 B A H X>S+ 0 0 1 -4,-1.7 5,-2.4 1,-0.2 4,-1.3 0.899 116.5 49.6 -62.3 -41.6 69.9 35.4 52.7 280 498 B H H <5S+ 0 0 4 -4,-3.4 3,-0.2 2,-0.2 -2,-0.2 0.925 111.3 47.6 -64.2 -46.2 67.3 37.4 50.9 281 499 B N H <5S+ 0 0 11 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.909 117.6 42.3 -62.5 -42.7 66.9 40.1 53.6 282 500 B R H <5S- 0 0 94 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.625 110.5-118.1 -79.7 -16.6 70.7 40.5 54.0 283 501 B G T <5 + 0 0 28 -4,-1.3 2,-0.7 1,-0.3 -3,-0.2 0.768 56.1 158.0 82.8 24.4 71.4 40.4 50.2 284 502 B V < + 0 0 38 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.771 7.7 167.5 -85.1 115.1 73.5 37.3 50.4 285 503 B T + 0 0 20 -2,-0.7 52,-2.5 -3,-0.1 2,-0.3 0.287 38.4 88.5-117.1 11.0 73.5 35.9 46.9 286 504 B T S > S- 0 0 60 50,-0.1 4,-2.3 1,-0.1 5,-0.1 -0.768 74.5-123.7-112.1 157.7 76.2 33.2 46.7 287 505 B L H > S+ 0 0 58 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.894 114.9 51.5 -62.5 -41.0 76.2 29.5 47.5 288 506 B E H > S+ 0 0 114 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.913 109.2 49.9 -62.7 -42.0 79.0 29.9 50.0 289 507 B G H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.910 110.0 52.1 -61.7 -39.6 77.1 32.7 51.7 290 508 B L H X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.868 107.8 50.9 -63.4 -39.2 74.1 30.4 51.8 291 509 B K H X S+ 0 0 27 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.874 108.9 51.5 -67.8 -37.1 76.2 27.6 53.4 292 510 B D H X S+ 0 0 88 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.962 109.8 48.9 -62.8 -49.2 77.4 30.1 56.1 293 511 B I H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.832 108.3 56.3 -58.5 -32.1 73.8 31.1 56.8 294 512 B T H X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.935 111.3 41.1 -65.8 -45.8 73.0 27.4 57.0 295 513 B R H X S+ 0 0 111 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.808 112.1 56.9 -71.9 -30.1 75.7 26.8 59.7 296 514 B E H X S+ 0 0 40 -4,-2.6 4,-0.6 2,-0.2 3,-0.4 0.951 109.2 44.1 -64.3 -51.0 74.7 30.0 61.5 297 515 B V H ><>S+ 0 0 0 -4,-2.3 5,-1.5 1,-0.2 3,-1.0 0.880 110.4 58.6 -58.9 -39.2 71.1 28.9 61.8 298 516 B A H ><5S+ 0 0 56 -4,-1.7 3,-0.6 1,-0.3 -1,-0.2 0.850 107.6 44.9 -58.8 -39.0 72.5 25.5 62.9 299 517 B S H 3<5S+ 0 0 95 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.496 104.8 63.6 -86.9 -5.5 74.4 27.1 65.8 300 518 B K T <<5S- 0 0 83 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.130 124.3 -82.3-107.8 21.0 71.5 29.3 67.0 301 519 B G T < 5S+ 0 0 33 -3,-0.6 2,-0.3 1,-0.2 -50,-0.2 0.677 96.4 92.9 94.3 19.5 69.0 26.6 68.0 302 520 B H S -qR 357 313J 9 4,-1.5 4,-1.1 47,-0.3 49,-0.2 -0.892 25.9 -98.9-149.6-180.0 57.4 20.1 46.3 310 528 B H T 4 S+ 0 0 91 47,-1.2 48,-0.1 -2,-0.3 4,-0.1 0.767 114.4 51.6 -78.7 -26.7 56.3 17.1 44.1 311 529 B S T 4 S+ 0 0 114 48,-0.2 -1,-0.1 1,-0.1 47,-0.0 0.957 129.9 13.1 -74.1 -51.7 54.7 19.2 41.3 312 530 B S T >4 S- 0 0 50 1,-0.3 3,-1.8 2,-0.0 -2,-0.2 0.327 88.5-148.1-109.7 6.7 57.6 21.5 40.6 313 531 B D B >< S-R 309 0J 45 -4,-1.1 3,-2.9 1,-0.3 -4,-1.5 -0.313 79.8 -3.3 57.1-143.3 60.5 19.9 42.5 314 532 B M G > S+ 0 0 7 1,-0.3 3,-0.7 -6,-0.2 -1,-0.3 0.673 132.1 63.0 -55.4 -18.9 62.9 22.6 43.8 315 533 B L G < S+ 0 0 76 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.379 77.3 97.7 -84.4 6.9 60.9 25.4 42.1 316 534 B G G < + 0 0 3 -3,-2.9 2,-0.8 -7,-0.2 -1,-0.2 0.491 59.7 87.4 -72.5 -4.7 58.2 24.2 44.5 317 535 B C <> - 0 0 2 -3,-0.7 4,-2.2 -10,-0.2 5,-0.2 -0.866 65.2-160.3 -99.9 106.8 59.0 27.0 46.9 318 536 B G H > S+ 0 0 11 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.884 87.4 53.0 -50.8 -46.0 57.0 30.1 45.9 319 537 B F H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.955 110.7 43.3 -58.9 -54.5 59.3 32.5 47.7 320 538 B F H > S+ 0 0 2 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.885 112.5 55.0 -61.2 -36.1 62.6 31.4 46.2 321 539 B K H X S+ 0 0 98 -4,-2.2 4,-2.6 2,-0.2 6,-0.3 0.924 105.9 51.5 -61.5 -44.1 60.9 31.2 42.8 322 540 B L H X>S+ 0 0 8 -4,-2.5 5,-1.7 -5,-0.2 4,-0.7 0.910 114.6 44.2 -58.2 -41.3 59.8 34.9 43.1 323 541 B W H ><5S+ 0 0 4 -4,-2.0 3,-0.6 2,-0.2 5,-0.3 0.930 113.6 48.3 -69.8 -47.8 63.4 35.8 44.0 324 542 B L H 3<5S+ 0 0 52 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.874 110.7 50.4 -62.1 -40.2 65.1 33.7 41.3 325 543 B T H 3<5S- 0 0 80 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.670 117.8-109.0 -74.9 -16.6 62.8 35.0 38.5 326 544 B G T X<5S+ 0 0 9 -4,-0.7 3,-2.7 -3,-0.6 4,-0.3 0.467 72.7 139.3 103.1 4.0 63.4 38.6 39.5 327 545 B R T 3 S+ 0 0 1 -6,-0.5 5,-1.8 -5,-0.3 3,-0.4 0.282 76.2 97.7-105.6 9.3 61.9 41.4 43.7 329 547 B D T X 5S+ 0 0 71 -3,-2.7 3,-2.6 1,-0.2 -2,-0.1 0.949 79.6 55.7 -59.8 -50.7 63.8 43.7 41.3 330 548 B D T 3 5S+ 0 0 167 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.772 104.1 56.1 -52.9 -28.6 61.4 46.5 41.8 331 549 B M T 3 5S- 0 0 71 -3,-0.4 -1,-0.3 -4,-0.1 -2,-0.2 0.243 119.9-109.0 -90.7 13.5 62.0 46.3 45.5 332 550 B G T < 5 + 0 0 69 -3,-2.6 -3,-0.2 1,-0.2 -2,-0.1 0.633 66.1 148.9 72.8 16.3 65.7 46.8 45.1 333 551 B Y < - 0 0 17 -5,-1.8 -1,-0.2 -7,-0.1 2,-0.2 -0.564 45.5-125.0 -85.6 145.5 66.8 43.2 46.0 334 552 B P - 0 0 60 0, 0.0 -51,-0.1 0, 0.0 -8,-0.1 -0.559 34.1-108.6 -82.6 156.1 69.9 41.6 44.4 335 553 B R - 0 0 121 -2,-0.2 -11,-0.1 1,-0.1 2,-0.1 -0.500 26.9-104.2 -87.4 152.2 69.4 38.3 42.7 336 554 B P - 0 0 13 0, 0.0 -50,-0.1 0, 0.0 -51,-0.1 -0.444 23.0-142.6 -70.1 150.3 70.5 34.9 43.9 337 555 B E S S+ 0 0 133 -52,-2.5 2,-0.3 2,-0.1 -50,-0.1 0.112 79.4 53.7-100.8 23.5 73.5 33.7 41.9 338 556 B F S S- 0 0 7 -52,-0.1 2,-0.1 -51,-0.0 -52,-0.0 -0.967 81.3-114.5-149.4 158.6 72.3 30.1 41.8 339 557 B D > - 0 0 66 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.283 42.7 -91.2 -88.9 180.0 69.2 28.2 40.8 340 558 B A H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.863 124.5 51.7 -60.8 -37.6 66.8 26.3 43.0 341 559 B D H > S+ 0 0 60 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.965 110.5 46.5 -64.2 -52.2 68.8 23.0 42.6 342 560 B Q H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.911 112.2 52.7 -56.3 -45.2 72.1 24.5 43.5 343 561 B G H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 3,-0.2 0.960 110.1 45.5 -56.0 -56.0 70.6 26.2 46.5 344 562 B A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.909 113.9 48.4 -55.6 -48.4 69.1 23.1 48.0 345 563 B L H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.819 110.6 51.4 -65.3 -30.9 72.1 20.9 47.5 346 564 B A H X S+ 0 0 4 -4,-2.0 4,-2.0 -5,-0.2 6,-0.2 0.936 111.6 47.5 -70.1 -44.7 74.4 23.6 49.0 347 565 B V H <>S+ 0 0 0 -4,-2.5 5,-3.1 -5,-0.2 -2,-0.2 0.936 113.9 47.3 -60.1 -46.6 72.1 23.7 52.0 348 566 B R H ><5S+ 0 0 34 -4,-2.8 3,-1.9 1,-0.2 -1,-0.2 0.933 111.1 50.6 -60.7 -47.9 72.0 20.0 52.3 349 567 B A H 3<5S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.819 105.6 56.6 -60.9 -32.4 75.8 19.7 51.9 350 568 B A T 3<5S- 0 0 18 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.361 132.8 -91.5 -81.3 6.5 76.3 22.3 54.7 351 569 B G T < 5S+ 0 0 44 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.479 85.4 129.4 100.1 3.2 74.2 20.0 57.0 352 570 B G < - 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