==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 01-DEC-10 3PSD . COMPND 2 MOLECULE: B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KIN . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.MORALES,G.P.A VIGERS,B.J.BRANDHUBER . 526 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 14.1 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 0.4 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-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 44 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 2 0 2 0 0 2 2 0 0 2 2 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 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 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 1 448 A D 0 0 97 0, 0.0 386,-0.0 0, 0.0 320,-0.0 0.000 360.0 360.0 360.0 -47.1 42.3 3.5 30.6 2 449 A D - 0 0 87 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.131 360.0-142.3 -58.7 149.6 45.3 5.8 30.1 3 450 A W + 0 0 14 2,-0.1 69,-1.7 68,-0.1 2,-0.5 0.409 60.5 120.2 -98.6 0.3 44.6 9.6 29.9 4 451 A E B -a 72 0A 77 67,-0.2 69,-0.2 1,-0.0 -2,-0.0 -0.554 56.9-144.2 -68.5 118.2 47.3 10.4 27.2 5 452 A I - 0 0 5 67,-3.0 69,-0.3 -2,-0.5 3,-0.1 -0.739 20.7-109.3 -88.1 128.1 45.4 11.8 24.2 6 453 A P > - 0 0 75 0, 0.0 3,-1.3 0, 0.0 4,-0.2 -0.334 51.4 -92.0 -53.7 134.1 46.7 11.0 20.7 7 454 A D T 3 S+ 0 0 61 1,-0.2 66,-0.0 2,-0.1 -3,-0.0 -0.019 103.3 22.5 -56.2 149.2 48.3 14.1 19.2 8 455 A G T 3 S+ 0 0 56 2,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.309 88.9 101.9 80.4 -8.4 46.4 16.6 17.1 9 456 A Q S < S+ 0 0 90 -3,-1.3 2,-0.6 2,-0.0 21,-0.2 0.770 70.3 77.6 -70.1 -28.2 43.0 15.6 18.4 10 457 A I S S- 0 0 22 -4,-0.2 2,-0.8 19,-0.1 19,-0.2 -0.759 73.9-156.7 -84.7 119.3 43.2 18.7 20.5 11 458 A T E -B 28 0A 90 17,-1.7 17,-1.2 -2,-0.6 2,-0.3 -0.866 11.5-146.9-101.0 104.2 42.5 21.8 18.4 12 459 A V E +B 27 0A 62 -2,-0.8 15,-0.2 15,-0.2 3,-0.1 -0.546 30.7 156.4 -75.1 128.2 44.1 24.8 20.0 13 460 A G E + 0 0 45 13,-0.9 14,-0.2 1,-0.3 -1,-0.1 0.207 43.0 14.5-117.7-123.2 42.2 28.1 19.6 14 461 A Q E - 0 0 150 12,-0.4 12,-3.2 11,-0.1 2,-0.7 -0.318 66.0-124.4 -65.4 136.0 42.0 31.4 21.5 15 462 A R E +B 25 0A 139 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.743 31.0 177.6 -79.4 114.9 44.7 32.3 24.0 16 463 A I E - 0 0 89 8,-1.5 2,-0.3 -2,-0.7 9,-0.2 0.586 50.1 -76.2 -98.8 -12.8 42.7 33.0 27.2 17 464 A G E -B 24 0A 20 7,-1.5 7,-1.9 2,-0.0 2,-0.4 -0.978 53.2 -63.6 150.5-160.6 45.6 33.6 29.6 18 465 A S E -B 23 0A 78 -2,-0.3 5,-0.2 5,-0.3 2,-0.1 -0.986 33.8-176.3-132.2 137.2 48.4 32.0 31.6 19 466 A G E > -B 22 0A 27 3,-1.3 3,-1.0 -2,-0.4 2,-0.4 -0.353 52.2 -50.6-108.3-165.5 48.4 29.5 34.5 20 467 A S T 3 S- 0 0 19 1,-0.3 -1,-0.1 -2,-0.1 128,-0.1 -0.615 123.8 -4.6 -75.9 124.0 51.2 28.0 36.6 21 468 A F T 3 S+ 0 0 85 -2,-0.4 2,-0.3 1,-0.1 -1,-0.3 0.860 130.1 40.0 59.9 42.2 53.9 26.5 34.4 22 469 A G E < S-B 19 0A 15 -3,-1.0 -3,-1.3 16,-0.1 2,-0.5 -0.929 79.3 -96.6 168.0 169.5 52.0 27.2 31.2 23 470 A T E -BC 18 37A 18 14,-4.0 14,-3.2 -2,-0.3 2,-0.3 -0.947 38.7-135.6-111.4 127.4 49.8 29.3 28.8 24 471 A V E -BC 17 36A 25 -7,-1.9 -8,-1.5 -2,-0.5 -7,-1.5 -0.661 23.7-178.8 -91.9 136.0 46.1 28.5 28.8 25 472 A Y E -BC 15 35A 39 10,-3.2 10,-2.9 -2,-0.3 2,-0.8 -0.912 33.7-116.5-127.3 153.2 44.1 28.2 25.6 26 473 A K E + C 0 34A 74 -12,-3.2 -13,-0.9 -2,-0.3 -12,-0.4 -0.840 50.2 176.7 -86.6 108.3 40.4 27.6 24.7 27 474 A G E -BC 12 33A 1 6,-2.3 6,-2.0 -2,-0.8 2,-0.4 -0.397 30.2-125.3-105.5-178.7 40.6 24.3 22.8 28 475 A K E +BC 11 32A 100 -17,-1.2 -17,-1.7 4,-0.2 2,-0.3 -0.925 41.0 142.9-134.5 109.7 38.3 21.8 21.1 29 476 A W S S- 0 0 13 2,-2.2 -19,-0.1 -2,-0.4 -2,-0.1 -0.826 88.5 -24.1-147.8 104.7 38.4 18.1 22.1 30 477 A H S S- 0 0 31 -2,-0.3 2,-0.2 -21,-0.2 353,-0.1 0.921 137.5 -27.8 51.8 49.6 35.1 16.3 22.2 31 478 A G S S- 0 0 13 2,-0.1 -2,-2.2 297,-0.0 2,-0.3 -0.630 116.6 -18.8 108.4-172.3 33.4 19.7 22.8 32 479 A D E S+C 28 0A 78 -4,-0.2 52,-1.1 -2,-0.2 2,-0.3 -0.537 70.4 174.0 -72.2 129.5 34.8 22.9 24.4 33 480 A V E -CD 27 83A 1 -6,-2.0 -6,-2.3 -2,-0.3 2,-0.5 -0.946 32.9-126.3-136.1 156.1 37.9 22.3 26.6 34 481 A A E -CD 26 82A 14 48,-2.6 48,-3.1 -2,-0.3 2,-0.5 -0.920 29.4-169.1-101.8 125.0 40.4 24.3 28.5 35 482 A V E -CD 25 81A 0 -10,-2.9 -10,-3.2 -2,-0.5 2,-0.6 -0.960 13.2-158.7-123.4 118.8 44.0 23.5 27.6 36 483 A K E -CD 24 80A 18 44,-2.3 44,-2.1 -2,-0.5 2,-0.3 -0.862 25.0-179.0 -95.1 117.5 47.1 24.6 29.5 37 484 A M E -CD 23 79A 17 -14,-3.2 -14,-4.0 -2,-0.6 42,-0.2 -0.822 34.4-142.9-122.9 155.2 50.1 24.4 27.1 38 485 A L - 0 0 24 40,-0.8 3,-0.1 -2,-0.3 41,-0.1 0.757 18.1-164.6 -84.8 -27.7 53.9 25.1 27.4 39 486 A N + 0 0 81 1,-0.2 2,-0.4 -16,-0.1 -17,-0.0 0.673 44.2 134.3 41.3 26.1 54.4 26.6 23.9 40 487 A V - 0 0 58 1,-0.1 38,-0.2 38,-0.1 -1,-0.2 -0.835 61.5-133.3-104.8 139.0 58.2 26.0 24.5 41 488 A T S S+ 0 0 153 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.913 92.0 12.8 -53.3 -53.6 60.5 24.5 21.9 42 489 A A S S- 0 0 65 35,-0.0 -1,-0.2 0, 0.0 2,-0.2 -0.992 82.5-123.7-134.0 126.2 62.2 22.0 24.3 43 490 A P - 0 0 71 0, 0.0 -2,-0.0 0, 0.0 34,-0.0 -0.461 21.2-133.1 -73.0 133.8 61.0 21.1 27.8 44 491 A T > - 0 0 67 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.492 23.7-116.2 -74.7 148.9 63.4 21.6 30.8 45 492 A P H > S+ 0 0 113 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.769 124.1 56.2 -50.6 -27.0 63.8 18.7 33.4 46 493 A Q H > S+ 0 0 114 2,-0.2 4,-1.6 1,-0.1 5,-0.1 0.907 111.4 39.1 -67.1 -46.8 62.3 21.5 35.5 47 494 A Q H > S+ 0 0 46 2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.754 112.9 56.6 -77.2 -27.3 59.3 21.9 33.3 48 495 A L H X S+ 0 0 75 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.847 109.0 46.3 -72.5 -36.9 59.0 18.1 32.7 49 496 A Q H X S+ 0 0 125 -4,-1.3 4,-2.2 -5,-0.2 -2,-0.2 0.915 109.8 53.1 -69.6 -45.3 58.7 17.4 36.4 50 497 A A H X S+ 0 0 9 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.786 110.4 49.9 -60.9 -30.6 56.2 20.2 36.9 51 498 A F H X S+ 0 0 6 -4,-1.2 4,-2.4 2,-0.2 5,-0.2 0.962 113.4 42.0 -70.7 -56.2 54.1 18.6 34.2 52 499 A K H X S+ 0 0 101 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.742 112.5 57.4 -65.8 -25.2 54.1 15.0 35.5 53 500 A N H X S+ 0 0 51 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.920 110.3 41.4 -68.0 -47.2 53.6 16.4 39.0 54 501 A E H X S+ 0 0 10 -4,-1.4 4,-3.1 2,-0.2 3,-0.2 0.903 114.6 50.6 -68.8 -44.3 50.3 18.2 38.1 55 502 A V H X S+ 0 0 4 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.887 109.2 52.8 -60.6 -41.0 49.0 15.3 35.9 56 503 A G H < S+ 0 0 27 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.800 114.3 42.5 -63.8 -31.9 49.7 12.9 38.8 57 504 A V H >< S+ 0 0 4 -4,-1.1 3,-1.5 -3,-0.2 -2,-0.2 0.895 112.1 52.5 -79.9 -45.2 47.7 15.1 41.2 58 505 A L H >< S+ 0 0 5 -4,-3.1 3,-1.6 1,-0.3 11,-0.3 0.818 100.9 61.0 -62.2 -34.7 44.8 15.8 38.7 59 506 A R T 3< S+ 0 0 67 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.1 0.496 98.2 60.0 -73.7 -3.5 44.2 12.1 38.0 60 507 A K T < S+ 0 0 51 -3,-1.5 2,-0.5 -5,-0.1 -1,-0.3 0.427 90.9 88.9 -97.7 -2.9 43.4 11.7 41.7 61 508 A T < + 0 0 3 -3,-1.6 8,-0.3 -4,-0.2 2,-0.2 -0.866 36.5 157.2-108.6 124.1 40.5 14.1 41.6 62 509 A R + 0 0 1 -2,-0.5 2,-0.3 272,-0.1 5,-0.1 -0.730 33.6 122.1-140.1 87.6 36.9 13.3 40.8 63 510 A H > - 0 0 4 3,-0.3 3,-0.9 -2,-0.2 270,-0.1 -0.995 65.1-124.1-150.9 151.2 34.6 15.9 42.2 64 511 A V T 3 S+ 0 0 34 -2,-0.3 4,-0.1 1,-0.2 52,-0.1 0.665 114.0 46.6 -66.9 -20.3 31.9 18.4 41.2 65 512 A N T 3 S+ 0 0 6 79,-0.1 80,-2.8 50,-0.1 2,-0.4 0.372 99.3 79.0-106.8 1.5 33.8 21.3 42.8 66 513 A I B < S-f 145 0B 2 -3,-0.9 -3,-0.3 78,-0.3 80,-0.2 -0.940 96.4-100.8-109.7 133.3 37.2 20.4 41.3 67 514 A L - 0 0 19 78,-2.7 2,-0.5 -2,-0.4 -6,-0.1 -0.332 46.7-112.9 -54.7 118.2 38.0 21.3 37.7 68 515 A L - 0 0 11 -2,-0.1 15,-1.6 -4,-0.1 2,-0.3 -0.418 23.2-143.6 -68.4 109.0 37.5 18.1 35.8 69 516 A F E + E 0 82A 0 -2,-0.5 13,-0.2 -8,-0.3 3,-0.1 -0.571 22.6 176.0 -67.7 125.8 40.8 16.7 34.4 70 517 A M E - 0 0 2 11,-2.8 2,-0.3 1,-0.4 12,-0.2 0.770 51.0 -58.8-104.5 -36.9 40.1 15.2 31.0 71 518 A G E - E 0 81A 0 10,-1.9 10,-3.4 -66,-0.0 -1,-0.4 -0.978 43.0-113.5 172.6-177.8 43.5 14.2 29.7 72 519 A Y E -aE 4 80A 10 -69,-1.7 -67,-3.0 -2,-0.3 2,-0.3 -0.938 11.9-153.0-140.3 161.6 47.1 15.2 28.7 73 520 A S E + E 0 79A 0 6,-3.2 6,-3.2 -2,-0.3 -69,-0.0 -0.999 19.0 165.1-140.0 140.9 49.3 15.5 25.7 74 521 A T + 0 0 53 -2,-0.3 -1,-0.1 -69,-0.3 4,-0.1 0.597 62.3 81.9-122.0 -26.2 53.1 15.3 25.3 75 522 A K S S+ 0 0 133 1,-0.1 3,-0.1 4,-0.1 -2,-0.0 0.810 107.3 19.9 -63.1 -40.3 53.7 14.8 21.6 76 523 A P S S- 0 0 59 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.904 138.9 -28.9 -89.7 -66.9 53.4 18.3 20.3 77 524 A Q S S- 0 0 71 -35,-0.0 2,-1.0 -38,-0.0 -36,-0.1 -0.861 82.4 -77.8-133.9 170.3 54.0 20.4 23.5 78 525 A L + 0 0 12 -2,-0.3 -40,-0.8 -38,-0.2 2,-0.4 -0.633 66.3 170.5 -73.9 103.1 53.3 19.5 27.1 79 526 A A E -DE 37 73A 1 -6,-3.2 -6,-3.2 -2,-1.0 2,-0.4 -0.923 26.6-159.3-123.4 142.6 49.5 20.1 27.3 80 527 A I E -DE 36 72A 9 -44,-2.1 -44,-2.3 -2,-0.4 2,-0.5 -0.986 13.5-151.3-121.7 128.7 46.8 19.4 29.9 81 528 A V E +DE 35 71A 0 -10,-3.4 -11,-2.8 -2,-0.4 -10,-1.9 -0.870 22.8 160.1-107.5 125.3 43.2 19.2 29.0 82 529 A T E -DE 34 69A 16 -48,-3.1 -48,-2.6 -2,-0.5 -13,-0.2 -0.802 44.7 -73.9-129.0 175.2 40.3 20.0 31.3 83 530 A Q E -D 33 0A 11 -15,-1.6 2,-0.4 -2,-0.3 -50,-0.2 -0.298 46.6-115.1 -67.7 152.9 36.6 21.0 30.9 84 531 A W - 0 0 48 -52,-1.1 2,-0.6 -51,-0.1 -52,-0.1 -0.782 23.0-159.2 -93.3 134.2 35.5 24.4 29.7 85 532 A C - 0 0 21 -2,-0.4 2,-0.3 53,-0.1 52,-0.1 -0.927 8.8-146.7-117.8 106.3 33.6 26.7 32.1 86 533 A E S S+ 0 0 110 -2,-0.6 53,-1.9 2,-0.0 54,-0.5 -0.568 75.0 50.8 -71.9 130.7 31.6 29.5 30.5 87 534 A G S S- 0 0 21 -2,-0.3 50,-0.2 51,-0.2 53,-0.1 0.296 94.1 -99.0 99.4 123.7 31.7 32.5 32.8 88 535 A S - 0 0 56 1,-0.1 49,-1.1 48,-0.1 52,-0.1 0.132 47.2 -69.0 -71.4-178.2 35.0 33.7 34.1 89 536 A S B > -G 136 0B 4 47,-0.2 4,-1.9 1,-0.1 47,-0.3 -0.097 45.0-104.8 -67.7 167.7 36.8 33.2 37.4 90 537 A L H > S+ 0 0 0 45,-3.1 4,-1.6 42,-1.0 43,-0.2 0.809 121.7 56.4 -64.3 -32.6 35.8 34.5 40.9 91 538 A Y H > S+ 0 0 70 41,-1.0 4,-2.1 44,-0.3 5,-0.4 0.870 108.0 48.6 -63.8 -39.2 38.6 37.1 40.7 92 539 A H H >>S+ 0 0 58 -3,-0.2 5,-2.5 40,-0.2 4,-1.4 0.887 111.0 49.1 -69.6 -41.8 37.2 38.4 37.4 93 540 A H H <5S+ 0 0 8 -4,-1.9 6,-3.7 3,-0.2 -1,-0.2 0.839 120.5 35.3 -65.2 -35.9 33.6 38.6 38.7 94 541 A L H <5S+ 0 0 13 -4,-1.6 -2,-0.2 4,-0.2 -1,-0.2 0.796 132.4 20.5 -92.3 -32.2 34.5 40.5 41.9 95 542 A H H <5S+ 0 0 36 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.1 0.560 126.9 37.2-120.5 -14.2 37.4 42.8 40.8 96 543 A I T <5S+ 0 0 90 -4,-1.4 -3,-0.2 -5,-0.4 -4,-0.1 0.841 132.4 15.5-105.0 -60.9 37.2 43.1 37.0 97 544 A I S - 0 0 142 -2,-0.2 4,-2.6 1,-0.1 3,-0.5 -0.524 27.8-113.0 -81.2 153.9 23.4 38.3 46.5 103 550 A M H > S+ 0 0 14 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.844 117.8 53.9 -56.9 -39.2 24.4 37.1 50.1 104 551 A I H > S+ 0 0 94 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.876 113.8 42.7 -61.6 -39.1 22.7 33.7 49.6 105 552 A K H > S+ 0 0 60 -3,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.834 110.7 55.3 -77.1 -35.6 24.7 33.2 46.4 106 553 A L H X S+ 0 0 5 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.878 110.5 45.2 -64.1 -41.0 27.9 34.5 47.9 107 554 A I H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.838 108.6 57.5 -70.7 -34.9 27.7 32.0 50.7 108 555 A D H X S+ 0 0 54 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.839 106.7 48.7 -64.0 -35.6 26.8 29.2 48.2 109 556 A I H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.898 112.4 48.4 -67.8 -42.6 30.1 30.0 46.4 110 557 A A H X S+ 0 0 1 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.807 110.6 51.9 -67.0 -32.4 32.0 29.8 49.7 111 558 A R H X S+ 0 0 54 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.896 110.9 46.0 -71.2 -42.8 30.3 26.5 50.6 112 559 A Q H X S+ 0 0 18 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.831 111.3 52.5 -70.2 -34.9 31.2 24.9 47.3 113 560 A T H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.910 112.2 45.4 -65.2 -44.2 34.8 26.1 47.5 114 561 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.819 110.3 56.1 -66.5 -33.4 35.1 24.6 51.0 115 562 A Q H X S+ 0 0 4 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.900 109.7 44.3 -65.4 -43.6 33.4 21.5 49.7 116 563 A G H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.855 113.0 51.2 -68.8 -37.8 36.1 21.0 47.0 117 564 A M H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.805 106.5 54.4 -70.3 -31.7 38.9 21.8 49.5 118 565 A D H X S+ 0 0 18 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.838 107.4 51.8 -67.2 -34.9 37.5 19.2 51.9 119 566 A Y H X S+ 0 0 0 -4,-1.2 4,-0.9 2,-0.2 -2,-0.2 0.855 111.8 45.9 -68.1 -38.3 37.7 16.7 49.1 120 567 A L H <>S+ 0 0 0 -4,-1.5 5,-3.3 2,-0.2 3,-0.4 0.916 112.1 49.2 -70.8 -45.7 41.4 17.6 48.4 121 568 A H H ><5S+ 0 0 19 -4,-2.3 3,-0.7 3,-0.2 -1,-0.2 0.715 106.4 57.3 -70.4 -23.1 42.5 17.5 52.0 122 569 A A H 3<5S+ 0 0 57 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.801 109.6 45.2 -72.9 -31.7 40.8 14.1 52.5 123 570 A K T 3<5S- 0 0 55 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.154 122.9-110.3 -94.9 16.3 43.0 12.8 49.7 124 571 A S T < 5 + 0 0 62 -3,-0.7 2,-0.6 1,-0.2 -3,-0.2 0.806 68.6 148.2 58.3 36.5 46.0 14.6 51.2 125 572 A I < - 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0 0 71 -3,-0.6 6,-0.1 1,-0.1 -3,-0.1 -0.400 53.9-139.5 -65.7 138.0 17.4 2.9 9.7 505 699 B K S S+ 0 0 109 -2,-0.1 2,-0.5 -78,-0.1 -1,-0.1 0.857 92.2 68.2 -67.5 -37.5 16.5 -0.8 9.8 506 700 B K S > S- 0 0 137 1,-0.1 3,-0.8 -78,-0.1 4,-0.3 -0.757 75.7-153.5 -81.3 125.3 19.9 -1.6 8.2 507 701 B R G > S+ 0 0 96 -2,-0.5 3,-1.1 1,-0.2 -1,-0.1 0.818 92.4 60.0 -70.2 -31.2 22.6 -0.8 10.8 508 702 B D G 3 S+ 0 0 135 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.621 99.2 58.9 -73.2 -13.3 25.3 -0.2 8.1 509 703 B E G < S+ 0 0 96 -3,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.567 87.1 96.7 -88.9 -12.1 23.1 2.6 6.7 510 704 B R S < S- 0 0 9 -3,-1.1 -8,-0.2 -4,-0.3 2,-0.1 -0.582 76.4-121.5 -80.6 139.0 23.2 4.5 10.0 511 705 B P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.437 24.5-116.5 -76.1 153.7 25.8 7.3 10.5 512 706 B L >> - 0 0 76 -2,-0.1 4,-2.0 1,-0.1 3,-1.3 -0.498 30.8-102.7 -84.9 160.5 28.3 7.2 13.3 513 707 B F H 3> S+ 0 0 0 1,-0.3 4,-3.5 2,-0.2 5,-0.3 0.807 117.6 63.6 -56.0 -38.8 28.4 9.9 16.1 514 708 B P H 3> S+ 0 0 80 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.871 112.7 38.2 -51.8 -36.6 31.3 11.8 14.7 515 709 B Q H <> S+ 0 0 124 -3,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.852 115.8 52.0 -79.7 -39.0 29.0 12.6 11.7 516 710 B I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.906 107.8 52.2 -64.0 -43.9 25.9 13.0 13.8 517 711 B L H X S+ 0 0 17 -4,-3.5 4,-2.1 1,-0.2 -1,-0.2 0.891 109.5 49.3 -58.9 -43.4 27.6 15.5 16.1 518 712 B A H X S+ 0 0 49 -4,-1.0 4,-1.2 -5,-0.3 -1,-0.2 0.802 110.0 52.5 -66.6 -31.4 28.7 17.6 13.1 519 713 B S H X S+ 0 0 40 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.868 110.3 45.7 -73.2 -39.9 25.1 17.5 11.7 520 714 B I H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.902 112.3 51.5 -69.0 -42.7 23.5 18.8 14.9 521 715 B E H X S+ 0 0 36 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.820 108.9 52.6 -62.3 -33.4 26.1 21.5 15.3 522 716 B L H X S+ 0 0 113 -4,-1.2 4,-1.0 1,-0.2 -1,-0.2 0.912 112.2 42.4 -68.9 -45.8 25.4 22.6 11.7 523 717 B L H < S+ 0 0 10 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.683 108.9 60.9 -76.7 -19.5 21.6 22.9 12.2 524 718 B A H >< S+ 0 0 33 -4,-1.5 3,-0.8 1,-0.2 -1,-0.2 0.837 101.9 51.4 -74.3 -35.6 22.1 24.6 15.6 525 719 B R H 3< S+ 0 0 169 -4,-1.1 4,-0.2 1,-0.3 -2,-0.2 0.839 111.3 47.2 -70.8 -35.5 24.0 27.6 14.1 526 720 B S T 3< S+ 0 0 91 -4,-1.0 -1,-0.3 1,-0.1 -2,-0.1 -0.259 99.5 77.1-100.2 44.5 21.4 28.2 11.5 527 721 B L S < S+ 0 0 45 -3,-0.8 -2,-0.1 -2,-0.1 -1,-0.1 0.758 77.1 57.9-117.8 -50.5 18.5 28.1 13.9 528 722 B P 0 0 103 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.727 360.0 360.0 -62.9 -21.5 18.1 31.2 16.1 529 723 B K 0 0 237 -4,-0.2 -2,-0.1 0, 0.0 -3,-0.1 0.884 360.0 360.0 -74.2 360.0 17.8 33.4 12.9