==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 29-NOV-10 3PRI . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE B-RAF; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.C.VOEGTLI,G.P.A.VIGERS,T.MORALES,B.J.BRANDHUBER . 528 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24696.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 65.7 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 . 76 14.4 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 . 41 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 0 2 0 0 0 6 0 2 0 0 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 . 2 0 2 4 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 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 0 117 0, 0.0 388,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.7 57.8 4.8 -10.8 2 449 A D - 0 0 75 1,-0.1 0, 0.0 69,-0.0 0, 0.0 0.214 360.0-123.0 -41.8 168.9 60.7 2.5 -10.3 3 450 A W + 0 0 23 2,-0.1 69,-1.8 68,-0.0 2,-0.4 0.155 63.6 131.8-111.6 16.4 64.3 3.7 -11.1 4 451 A E B -a 72 0A 81 67,-0.2 69,-0.2 1,-0.0 67,-0.0 -0.584 52.7-140.4 -68.6 124.5 65.2 1.1 -13.7 5 452 A I - 0 0 3 67,-2.0 70,-0.3 -2,-0.4 69,-0.2 -0.818 22.7-110.9 -95.6 123.0 66.6 3.0 -16.6 6 453 A P > - 0 0 71 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.214 43.7 -92.6 -58.1 132.2 65.5 1.5 -20.0 7 454 A D T 3 S+ 0 0 84 1,-0.2 -3,-0.0 2,-0.1 66,-0.0 -0.028 107.7 31.2 -47.0 138.9 68.3 -0.2 -21.9 8 455 A G T 3 S+ 0 0 66 2,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.190 93.9 90.6 103.5 -15.8 70.2 2.0 -24.4 9 456 A Q < + 0 0 82 -3,-1.5 2,-0.3 -4,-0.1 -2,-0.1 0.878 64.5 82.9 -82.4 -40.1 69.8 5.3 -22.6 10 457 A I - 0 0 28 -4,-0.3 2,-0.4 -5,-0.1 19,-0.2 -0.508 64.8-155.8 -77.8 127.9 73.0 5.4 -20.4 11 458 A T E -B 28 0A 86 17,-2.8 17,-2.6 -2,-0.3 2,-0.5 -0.893 6.9-148.8-111.5 134.3 76.1 6.5 -22.2 12 459 A V E +B 27 0A 75 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.868 26.5 152.2-118.7 116.7 79.5 5.4 -20.9 13 460 A G E + 0 0 47 13,-2.0 14,-0.1 -2,-0.5 -1,-0.1 0.287 45.7 17.3-112.5-128.6 82.7 7.4 -21.1 14 461 A Q E - 0 0 149 11,-0.1 12,-2.1 1,-0.1 2,-0.3 -0.213 65.8-130.2 -53.2 129.7 86.0 7.8 -19.3 15 462 A R E +B 25 0A 127 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.661 29.4 175.9 -76.7 137.3 86.9 5.0 -16.9 16 463 A I E - 0 0 88 8,-2.4 2,-0.3 1,-0.3 9,-0.2 0.536 43.5 -65.8-127.6 -8.5 87.8 6.5 -13.5 17 464 A G E -B 24 0A 21 7,-1.0 7,-2.8 2,-0.0 2,-0.5 -0.941 51.4 -60.5 157.5-172.7 88.5 3.7 -11.1 18 465 A S E +B 23 0A 101 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.933 38.3 175.6-107.6 125.1 87.4 0.7 -9.0 19 466 A G - 0 0 24 3,-1.0 -2,-0.0 -2,-0.5 128,-0.0 -0.840 60.1 -45.0-114.8 165.9 84.8 1.0 -6.3 20 467 A S S S- 0 0 22 -2,-0.3 -1,-0.2 1,-0.1 128,-0.1 0.116 122.6 -16.0 -36.1 128.2 83.5 -2.0 -4.3 21 468 A F S S+ 0 0 87 -3,-0.1 2,-0.2 1,-0.0 -1,-0.1 0.876 124.6 41.2 34.3 94.0 82.8 -4.8 -6.8 22 469 A G S S- 0 0 21 16,-0.1 -3,-1.0 2,-0.0 2,-0.4 -0.586 81.9 -89.1 133.5 165.7 82.7 -3.1 -10.2 23 470 A T E -BC 18 37A 35 14,-2.5 14,-2.4 16,-0.2 2,-0.3 -0.946 37.2-141.2-113.6 131.6 84.4 -0.4 -12.4 24 471 A V E +BC 17 36A 24 -7,-2.8 -8,-2.4 -2,-0.4 -7,-1.0 -0.655 19.4 179.7 -98.6 149.5 83.2 3.2 -12.3 25 472 A Y E -BC 15 35A 60 10,-2.9 10,-3.2 -2,-0.3 2,-0.3 -0.958 31.6-118.0-138.4 155.7 82.8 5.6 -15.2 26 473 A K E + C 0 34A 69 -12,-2.1 -13,-2.0 -2,-0.3 2,-0.3 -0.745 53.4 164.2 -84.9 145.8 81.7 9.2 -15.8 27 474 A G E -BC 12 33A 6 6,-3.8 6,-3.3 -2,-0.3 2,-0.5 -0.896 38.1-101.8-154.9 179.6 78.7 9.1 -18.1 28 475 A K E +BC 11 32A 97 -17,-2.6 -17,-2.8 -2,-0.3 4,-0.2 -0.973 43.4 135.0-119.6 124.5 75.6 10.7 -19.7 29 476 A W S S- 0 0 18 2,-2.1 -19,-0.1 -2,-0.5 -20,-0.0 -0.451 98.9 -24.4-158.8 86.5 72.0 10.1 -18.7 30 477 A H S S- 0 0 38 3,-0.0 2,-0.1 299,-0.0 355,-0.1 0.876 137.0 -29.4 68.6 44.0 70.1 13.4 -18.6 31 478 A G S S- 0 0 13 2,-0.0 -2,-2.1 52,-0.0 -4,-0.0 -0.395 114.2 -15.4 107.2 174.7 73.5 15.1 -18.1 32 479 A D E S+C 28 0A 75 -4,-0.2 52,-0.7 -2,-0.1 2,-0.3 -0.240 71.1 160.2 -52.5 124.3 76.8 14.2 -16.4 33 480 A V E -CD 27 83A 0 -6,-3.3 -6,-3.8 50,-0.2 2,-0.5 -0.897 38.6-116.8-134.7 169.2 76.4 11.1 -14.2 34 481 A A E -CD 26 82A 16 48,-2.8 48,-2.2 49,-0.5 2,-0.5 -0.937 23.9-157.4-106.5 137.5 78.6 8.4 -12.7 35 482 A V E -CD 25 81A 4 -10,-3.2 -10,-2.9 -2,-0.5 2,-0.6 -0.966 5.6-169.1-117.0 122.1 78.1 4.9 -13.8 36 483 A K E -CD 24 80A 21 44,-2.0 44,-2.6 -2,-0.5 2,-0.6 -0.947 7.1-170.2-112.3 112.3 79.3 2.1 -11.5 37 484 A M E -CD 23 79A 14 -14,-2.4 -14,-2.5 -2,-0.6 2,-1.2 -0.910 14.8-168.7-113.8 112.7 79.1 -1.3 -13.2 38 485 A L + 0 0 5 40,-0.9 2,-0.3 -2,-0.6 -16,-0.1 -0.389 62.6 75.2 -93.1 55.9 79.7 -4.4 -11.1 39 486 A N + 0 0 23 -2,-1.2 2,-0.3 -16,-0.1 -16,-0.2 -0.990 40.0 173.9-158.2 148.8 80.0 -6.6 -14.1 40 487 A V S S- 0 0 110 -2,-0.3 37,-0.0 -18,-0.1 38,-0.0 -0.825 84.2 -15.4-144.5 168.2 81.7 -8.1 -17.1 41 488 A T S S- 0 0 139 -2,-0.3 0, 0.0 2,-0.0 0, 0.0 -0.268 129.4 -27.0 42.4-124.3 80.2 -10.9 -19.2 42 489 A A S S- 0 0 73 1,-0.1 35,-0.0 -3,-0.1 -3,-0.0 -0.906 81.1-106.5-115.3 151.1 77.6 -12.2 -16.7 43 490 A P - 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.088 24.0-103.6 -71.1 170.9 77.8 -11.8 -12.9 44 491 A T > - 0 0 56 1,-0.1 4,-1.4 0, 0.0 5,-0.1 -0.619 28.4-122.6 -76.4 150.3 78.5 -14.0 -10.0 45 492 A P T 4 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.309 117.9 58.6 -71.6 12.6 75.6 -15.0 -7.9 46 493 A Q T >> S+ 0 0 100 2,-0.1 4,-0.8 3,-0.1 3,-0.7 0.742 106.8 40.9-100.7 -39.3 77.8 -13.4 -5.3 47 494 A Q H 3> S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.688 99.7 75.8 -82.0 -18.9 78.0 -10.0 -6.9 48 495 A L H 3X S+ 0 0 71 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.750 99.4 46.6 -59.4 -24.0 74.3 -10.2 -7.8 49 496 A Q H <> S+ 0 0 129 -3,-0.7 4,-0.9 2,-0.2 -1,-0.2 0.866 106.8 53.4 -89.8 -39.0 73.7 -9.4 -4.2 50 497 A A H X S+ 0 0 9 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.842 111.6 47.7 -66.8 -34.0 76.2 -6.5 -3.7 51 498 A F H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 5,-0.3 0.974 112.5 47.8 -65.4 -55.6 74.6 -4.8 -6.7 52 499 A K H < S+ 0 0 89 -4,-1.3 -2,-0.2 -5,-0.2 4,-0.2 0.601 111.5 55.4 -65.2 -9.4 71.1 -5.4 -5.3 53 500 A N H >X S+ 0 0 52 -4,-0.9 4,-1.7 2,-0.1 3,-0.8 0.929 108.0 42.6 -81.9 -55.0 72.4 -4.1 -2.0 54 501 A E H 3X S+ 0 0 4 -4,-2.0 4,-2.8 1,-0.3 5,-0.3 0.873 115.3 50.4 -61.5 -38.8 73.7 -0.7 -3.0 55 502 A V H 3X S+ 0 0 1 -4,-2.1 4,-0.7 1,-0.2 -1,-0.3 0.730 111.7 49.5 -70.3 -22.6 70.7 -0.0 -5.2 56 503 A G H <4 S+ 0 0 37 -3,-0.8 -2,-0.2 -5,-0.3 -1,-0.2 0.738 117.4 38.2 -89.0 -26.1 68.4 -0.9 -2.3 57 504 A V H >< S+ 0 0 8 -4,-1.7 3,-2.2 2,-0.1 4,-0.4 0.872 115.2 51.3 -84.9 -48.8 70.2 1.3 0.2 58 505 A L H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.3 11,-0.3 0.882 103.9 59.8 -59.5 -36.5 70.9 4.2 -2.1 59 506 A R T 3< S+ 0 0 67 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.1 0.468 103.0 52.8 -75.1 0.7 67.3 4.3 -3.1 60 507 A K T < S+ 0 0 52 -3,-2.2 2,-0.6 209,-0.0 -1,-0.3 0.401 95.2 86.5-110.8 -5.1 66.4 4.9 0.5 61 508 A T < + 0 0 2 -3,-1.9 8,-0.4 -4,-0.4 2,-0.3 -0.881 41.1 161.7-100.1 123.1 68.8 7.8 0.8 62 509 A R + 0 0 1 -2,-0.6 2,-0.3 274,-0.1 5,-0.1 -0.769 34.5 117.2-133.6 90.0 67.6 11.3 -0.2 63 510 A H > - 0 0 7 3,-0.3 3,-0.7 -2,-0.3 272,-0.1 -0.990 66.9-122.4-154.7 153.7 70.0 13.8 1.4 64 511 A V T 3 S+ 0 0 31 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.791 113.1 45.9 -70.8 -27.7 72.5 16.4 0.2 65 512 A N T 3 S+ 0 0 7 79,-0.1 80,-3.4 2,-0.1 2,-0.5 0.441 99.8 78.8-101.0 -1.0 75.4 14.8 1.9 66 513 A I B < S-f 145 0B 1 -3,-0.7 -3,-0.3 78,-0.3 80,-0.2 -0.925 100.6-100.2 -98.9 134.8 74.6 11.3 0.8 67 514 A L - 0 0 23 78,-2.6 2,-0.6 -2,-0.5 -4,-0.1 -0.217 45.6-106.3 -55.5 138.6 75.7 10.7 -2.9 68 515 A L - 0 0 11 -4,-0.1 15,-2.5 -6,-0.1 2,-0.3 -0.571 26.7-148.8 -86.1 118.9 72.7 11.1 -5.2 69 516 A F E + E 0 82A 0 -2,-0.6 13,-0.3 -8,-0.4 3,-0.1 -0.624 19.6 173.5 -79.2 131.4 71.2 7.9 -6.6 70 517 A M E - 0 0 3 11,-3.2 2,-0.3 1,-0.4 12,-0.2 0.695 54.0 -63.3-110.2 -31.3 69.6 8.4 -10.1 71 518 A G E - E 0 81A 0 10,-2.3 10,-3.5 -66,-0.0 -1,-0.4 -0.967 41.9-103.6 166.4-177.5 68.8 4.8 -11.1 72 519 A Y E -aE 4 80A 11 -69,-1.8 -67,-2.0 -2,-0.3 2,-0.4 -0.983 17.2-155.5-138.2 148.0 70.0 1.3 -11.9 73 520 A S E + E 0 79A 2 6,-3.2 6,-3.4 -2,-0.3 -69,-0.0 -0.980 22.4 160.3-127.1 136.5 70.4 -0.7 -15.1 74 521 A T + 0 0 51 -2,-0.4 4,-0.1 4,-0.3 -1,-0.1 0.558 59.7 85.2-113.8 -21.1 70.4 -4.5 -15.5 75 522 A K S S+ 0 0 117 -70,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.899 108.2 9.3 -72.2 -57.6 69.7 -4.7 -19.2 76 523 A P S S- 0 0 67 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.845 144.5 -18.8 -79.7 -36.4 73.0 -4.5 -21.1 77 524 A Q S S- 0 0 75 2,-0.1 2,-0.7 -35,-0.0 -35,-0.1 -0.966 77.9 -88.4-155.5 164.2 74.9 -4.7 -17.7 78 525 A L + 0 0 21 -2,-0.3 -40,-0.9 -3,-0.1 2,-0.4 -0.724 61.0 160.4 -79.5 116.6 74.3 -4.2 -14.0 79 526 A A E -DE 37 73A 2 -6,-3.4 -6,-3.2 -2,-0.7 2,-0.6 -0.997 37.5-145.0-144.9 140.9 74.9 -0.5 -13.3 80 527 A I E -DE 36 72A 1 -44,-2.6 -44,-2.0 -2,-0.4 2,-0.6 -0.905 18.6-155.2-102.2 120.3 74.2 2.1 -10.6 81 528 A V E +DE 35 71A 0 -10,-3.5 -11,-3.2 -2,-0.6 -10,-2.3 -0.862 23.0 162.3 -97.1 124.0 73.6 5.6 -12.0 82 529 A T E -DE 34 69A 12 -48,-2.2 -48,-2.8 -2,-0.6 -13,-0.2 -0.846 45.1 -79.0-126.3 168.3 74.3 8.4 -9.6 83 530 A Q E -D 33 0A 6 -15,-2.5 -49,-0.5 -2,-0.3 2,-0.4 0.024 49.2-114.1 -50.3 169.9 74.9 12.1 -10.0 84 531 A W - 0 0 46 -52,-0.7 2,-0.6 -51,-0.2 -1,-0.1 -0.941 21.1-157.4-115.0 140.4 78.3 13.2 -11.1 85 532 A C - 0 0 16 -2,-0.4 2,-0.2 2,-0.1 52,-0.1 -0.888 5.5-155.5-120.7 100.9 80.6 15.3 -8.9 86 533 A E S S+ 0 0 98 -2,-0.6 53,-3.0 52,-0.0 2,-0.3 -0.581 74.3 59.1 -65.1 137.0 83.3 17.3 -10.6 87 534 A G E S-G 138 0B 32 -2,-0.2 2,-0.2 51,-0.2 51,-0.2 -0.956 86.7 -98.4 129.3-157.0 85.8 17.6 -7.8 88 535 A S E -G 137 0B 37 49,-1.2 49,-2.7 -2,-0.3 2,-0.3 -0.829 32.3 -72.1-149.0-171.8 87.4 14.7 -6.0 89 536 A S E > -G 136 0B 21 -2,-0.2 4,-1.9 47,-0.2 3,-0.5 -0.741 41.5-121.7 -88.4 142.2 87.5 12.3 -3.1 90 537 A L H > S+ 0 0 0 45,-3.3 4,-1.6 42,-0.4 43,-0.2 0.785 115.3 59.3 -54.0 -27.7 88.7 13.7 0.3 91 538 A Y H > S+ 0 0 68 41,-1.5 4,-2.5 44,-0.4 5,-0.3 0.947 103.5 49.1 -63.9 -51.0 91.4 11.0 0.1 92 539 A H H >>S+ 0 0 67 -3,-0.5 4,-2.1 1,-0.2 5,-1.6 0.956 111.0 49.8 -52.8 -54.9 92.7 12.4 -3.2 93 540 A H H <5S+ 0 0 8 -4,-1.9 6,-4.1 1,-0.2 -1,-0.2 0.858 118.9 38.3 -52.3 -40.5 92.8 16.0 -1.8 94 541 A L H <5S+ 0 0 14 -4,-1.6 -1,-0.2 4,-0.2 -2,-0.2 0.796 128.8 22.2 -86.7 -31.1 94.7 14.9 1.3 95 542 A H H <5S+ 0 0 40 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.379 125.6 32.4-128.9 -0.4 97.1 12.3 0.2 96 543 A I T <5S+ 0 0 95 -4,-2.1 -3,-0.2 -5,-0.3 -4,-0.1 0.640 131.7 17.6-119.3 -58.2 97.8 12.6 -3.5 97 544 A I S - 0 0 136 -2,-0.1 4,-2.1 1,-0.1 -1,-0.1 -0.291 36.2-109.1 -60.2 163.0 92.0 26.3 6.0 103 550 A M H > S+ 0 0 11 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.903 119.7 57.2 -64.1 -40.4 91.0 24.9 9.3 104 551 A I H > S+ 0 0 97 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.866 107.1 49.3 -60.2 -36.8 87.5 26.3 9.0 105 552 A K H > S+ 0 0 65 2,-0.2 4,-2.9 1,-0.2 3,-0.4 0.952 110.9 50.2 -64.7 -49.7 87.1 24.3 5.8 106 553 A L H X S+ 0 0 2 -4,-2.1 4,-2.8 1,-0.3 5,-0.2 0.969 107.8 51.2 -53.3 -57.4 88.3 21.2 7.5 107 554 A I H X S+ 0 0 6 -4,-3.1 4,-2.1 1,-0.2 -1,-0.3 0.827 112.2 50.0 -53.5 -28.1 86.0 21.5 10.4 108 555 A D H X S+ 0 0 50 -4,-1.1 4,-3.3 -3,-0.4 5,-0.3 0.972 106.1 51.3 -75.8 -53.6 83.2 21.9 7.8 109 556 A I H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.884 113.3 50.3 -43.6 -41.5 84.1 18.9 5.8 110 557 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.934 110.3 47.5 -63.2 -47.9 84.0 17.2 9.2 111 558 A R H X S+ 0 0 67 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.904 113.5 47.2 -65.3 -41.6 80.6 18.6 10.1 112 559 A Q H X S+ 0 0 13 -4,-3.3 4,-3.1 2,-0.2 -1,-0.2 0.960 111.5 50.4 -64.0 -50.0 79.0 17.7 6.7 113 560 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.916 112.3 48.0 -52.9 -45.4 80.5 14.2 6.8 114 561 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.938 110.6 52.3 -60.0 -45.6 79.1 13.8 10.3 115 562 A Q H X S+ 0 0 7 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.939 110.4 47.2 -55.6 -53.0 75.7 15.2 9.1 116 563 A G H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 3,-0.3 0.965 112.7 48.2 -51.6 -59.8 75.6 12.7 6.3 117 564 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.886 107.8 56.4 -49.7 -43.6 76.5 9.8 8.5 118 565 A D H X S+ 0 0 21 -4,-3.0 4,-1.8 -5,-0.2 -1,-0.2 0.945 104.6 53.3 -55.7 -48.2 73.9 10.9 11.0 119 566 A Y H >X S+ 0 0 0 -4,-2.4 4,-1.7 -3,-0.3 3,-0.9 0.960 110.2 46.5 -48.1 -61.4 71.2 10.7 8.2 120 567 A L H 3<>S+ 0 0 0 -4,-1.9 5,-3.0 1,-0.3 3,-0.3 0.900 110.5 52.4 -48.9 -50.2 72.2 7.1 7.4 121 568 A H H ><5S+ 0 0 18 -4,-2.7 3,-0.9 1,-0.2 -1,-0.3 0.776 105.6 54.7 -63.5 -27.5 72.2 6.1 11.1 122 569 A A H <<5S+ 0 0 55 -4,-1.8 -1,-0.2 -3,-0.9 -2,-0.2 0.881 107.0 50.4 -70.5 -38.0 68.7 7.5 11.6 123 570 A K T 3<5S- 0 0 38 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.181 123.7-110.4 -86.2 19.9 67.5 5.4 8.7 124 571 A S T < 5 + 0 0 67 -3,-0.9 2,-0.5 1,-0.2 -3,-0.2 0.830 69.7 149.6 57.5 34.0 69.2 2.5 10.4 125 572 A I < - 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0 0 40 -2,-0.2 2,-0.5 0, 0.0 0, 0.0 -0.733 23.4-169.1-174.1 132.3 90.8 -4.4 2.6 158 616 A S + 0 0 29 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.994 29.1 158.5-103.1 129.4 90.8 -0.9 4.0 159 617 A I > + 0 0 15 -2,-0.5 3,-2.6 2,-0.1 -1,-0.1 0.547 51.1 86.5-124.8 -28.0 91.8 -1.4 7.6 160 618 A L T 3 S+ 0 0 34 1,-0.3 38,-0.0 37,-0.1 -29,-0.0 0.618 101.1 41.5 -52.2 -13.0 93.2 2.0 8.5 161 619 A W T 3 S+ 0 0 20 2,-0.1 2,-0.4 25,-0.1 -1,-0.3 0.369 90.1 116.1-111.4 -0.1 89.6 2.9 9.3 162 620 A M < - 0 0 48 -3,-2.6 5,-0.1 20,-0.1 -3,-0.1 -0.585 65.6-127.7 -80.4 123.6 88.6 -0.5 11.0 163 621 A A >> - 0 0 1 -2,-0.4 4,-1.5 16,-0.1 3,-1.2 -0.293 26.9-115.2 -57.6 153.8 87.7 -0.4 14.7 164 622 A P H >> S+ 0 0 3 0, 0.0 4,-1.7 0, 0.0 3,-1.0 0.961 117.5 62.0 -55.6 -48.5 89.8 -2.9 16.6 165 623 A E H 34>S+ 0 0 6 76,-0.4 5,-0.8 1,-0.3 10,-0.1 0.675 109.2 43.0 -52.9 -20.8 86.6 -4.8 17.4 166 624 A V H <45S+ 0 0 3 -3,-1.2 -1,-0.3 3,-0.1 3,-0.1 0.721 103.2 64.1 -94.2 -30.3 86.3 -5.3 13.7 167 625 A I H <<5S+ 0 0 30 -4,-1.5 2,-0.6 -3,-1.0 -2,-0.2 0.769 107.8 46.5 -67.1 -25.9 89.9 -6.1 13.1 168 626 A R T <5S- 0 0 115 -4,-1.7 2,-1.9 -5,-0.1 -1,-0.2 -0.914 93.0-131.4-119.7 104.9 89.4 -9.2 15.2 169 627 A M T 5 + 0 0 128 -2,-0.6 -3,-0.1 1,-0.2 -4,-0.1 -0.267 35.1 172.4 -59.7 84.3 86.2 -11.0 14.2 170 628 A Q < - 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0 0 40 -2,-0.3 3,-0.7 1,-0.1 -9,-0.0 -0.433 47.2 -96.3 -77.6 159.5 60.3 41.0 -17.5 463 655 B P T 3 S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 -37,-0.1 -0.164 101.5 17.3 -68.8 174.2 58.2 40.9 -20.7 464 656 B Y T > S+ 0 0 13 1,-0.2 3,-1.2 2,-0.1 9,-0.1 0.710 75.3 158.2 39.3 37.9 55.7 43.6 -21.6 465 657 B S T < + 0 0 58 -3,-0.7 -1,-0.2 1,-0.3 -3,-0.0 0.622 63.4 58.5 -69.0 -15.9 57.3 46.0 -19.1 466 658 B N T 3 S+ 0 0 146 2,-0.0 2,-0.5 1,-0.0 -1,-0.3 0.579 88.8 82.9 -93.7 -9.8 56.0 49.2 -20.7 467 659 B I < - 0 0 48 -3,-1.2 6,-0.0 1,-0.1 -1,-0.0 -0.855 59.3-168.7 -93.6 125.1 52.3 48.1 -20.3 468 660 B N + 0 0 161 -2,-0.5 2,-0.5 5,-0.0 -1,-0.1 0.424 61.1 82.5 -94.9 -0.7 51.0 48.9 -16.8 469 661 B N > - 0 0 61 1,-0.2 4,-1.7 2,-0.0 -2,-0.0 -0.931 55.4-164.7-119.6 125.7 47.8 47.0 -17.0 470 662 B R H > S+ 0 0 118 -2,-0.5 4,-2.8 2,-0.2 5,-0.2 0.931 87.8 54.2 -73.8 -49.9 47.5 43.3 -16.4 471 663 B D H > S+ 0 0 115 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.892 110.0 50.5 -56.6 -42.1 44.1 42.5 -17.8 472 664 B Q H > S+ 0 0 93 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.966 108.4 51.3 -54.7 -55.8 45.2 44.1 -21.1 473 665 B I H X S+ 0 0 13 -4,-1.7 4,-2.7 1,-0.2 5,-0.3 0.919 111.5 48.2 -51.6 -50.5 48.4 42.1 -21.2 474 666 B I H X S+ 0 0 46 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.976 112.6 47.6 -48.4 -62.2 46.4 38.9 -20.7 475 667 B F H X S+ 0 0 91 -4,-2.7 4,-1.4 1,-0.2 3,-0.2 0.887 117.3 42.0 -50.2 -49.4 43.8 39.8 -23.4 476 668 B M H X>S+ 0 0 48 -4,-2.9 4,-2.7 1,-0.2 5,-1.5 0.897 110.6 52.3 -70.8 -46.1 46.4 40.7 -25.9 477 669 B V H <5S+ 0 0 4 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.719 113.3 49.5 -64.1 -19.0 48.9 37.9 -25.3 478 670 B G H <5S+ 0 0 5 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.814 113.1 42.8 -86.1 -32.3 46.0 35.6 -25.8 479 671 B R H <5S- 0 0 150 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.769 115.0-110.6 -86.0 -28.4 44.7 37.1 -29.0 480 672 B G T <5S+ 0 0 26 -4,-2.7 -3,-0.2 2,-0.2 -4,-0.1 0.437 88.2 113.6 111.2 5.6 48.1 37.4 -30.5 481 673 B Y S + 0 0 40 -2,-0.6 3,-1.4 1,-0.2 -1,-0.1 0.569 68.8 88.6 -94.6 -10.6 63.2 40.8 -28.9 487 679 B S T 3 S+ 0 0 103 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.132 85.9 65.1 -67.4 26.4 64.9 44.0 -29.9 488 680 B K T 3 + 0 0 75 -3,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.535 60.6 117.5-125.1 -15.7 65.9 44.0 -26.3 489 681 B V S < S- 0 0 19 -3,-1.4 -30,-0.2 1,-0.1 4,-0.1 -0.440 81.1 -96.1 -67.0 117.3 68.2 41.0 -25.8 490 682 B R > - 0 0 90 -32,-1.7 3,-2.4 -2,-0.4 -1,-0.1 0.147 37.5-103.9 -48.2 151.5 71.6 42.5 -24.7 491 683 B S T 3 S+ 0 0 131 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.620 115.6 51.7 -56.5 -23.9 74.1 43.0 -27.5 492 684 B N T 3 S+ 0 0 86 2,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.585 74.4 118.0 -94.8 -10.3 76.3 40.1 -26.7 493 685 B C S < S- 0 0 8 -3,-2.4 5,-0.1 -35,-0.2 -4,-0.0 -0.393 76.4-106.8 -53.8 120.2 73.6 37.4 -26.5 494 686 B P > - 0 0 24 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.018 16.1-122.6 -50.5 156.6 74.5 34.9 -29.3 495 687 B K H > S+ 0 0 132 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.955 112.0 53.4 -63.6 -49.7 72.5 34.8 -32.5 496 688 B A H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.899 109.7 47.2 -54.5 -44.2 71.7 31.1 -32.0 497 689 B M H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 112.8 48.5 -66.8 -39.2 70.4 31.7 -28.5 498 690 B K H X S+ 0 0 69 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.883 112.8 50.4 -65.0 -36.4 68.3 34.7 -29.7 499 691 B R H X S+ 0 0 159 -4,-3.0 4,-0.7 1,-0.2 -2,-0.2 0.869 110.9 47.1 -70.2 -38.4 67.1 32.4 -32.4 500 692 B L H X S+ 0 0 13 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.820 108.3 56.0 -71.8 -33.6 66.2 29.6 -30.0 501 693 B M H >X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 3,-0.9 0.964 106.3 50.6 -61.2 -49.9 64.4 32.0 -27.7 502 694 B A H 3< S+ 0 0 38 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.741 107.7 56.0 -60.4 -24.1 62.3 33.0 -30.7 503 695 B E H >< S+ 0 0 78 -4,-0.7 3,-0.6 1,-0.2 -1,-0.3 0.800 105.9 47.8 -78.2 -32.5 61.6 29.4 -31.3 504 696 B C H << S+ 0 0 0 -4,-1.5 -53,-0.3 -3,-0.9 -2,-0.2 0.707 108.5 56.2 -82.4 -18.7 60.2 28.6 -27.9 505 697 B L T 3< S+ 0 0 19 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.352 72.1 136.2 -96.7 5.4 57.9 31.6 -27.9 506 698 B K < - 0 0 85 -3,-0.6 6,-0.1 1,-0.1 5,-0.1 -0.235 55.2-135.7 -56.3 140.5 56.0 30.8 -31.1 507 699 B K S S+ 0 0 95 -78,-0.1 2,-0.7 4,-0.1 -76,-0.4 0.883 90.9 70.6 -74.6 -38.7 52.3 31.4 -30.6 508 700 B K S > S- 0 0 151 1,-0.2 3,-2.2 -78,-0.1 4,-0.1 -0.717 80.1-147.8 -77.5 113.3 51.2 28.1 -32.3 509 701 B R G > S+ 0 0 78 -2,-0.7 3,-1.6 1,-0.3 -1,-0.2 0.789 91.2 65.0 -57.7 -30.5 52.2 25.5 -29.7 510 702 B D G 3 S+ 0 0 133 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.1 0.520 94.1 61.1 -73.2 -3.6 52.9 22.9 -32.4 511 703 B E G < S+ 0 0 100 -3,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.294 85.1 102.2-102.2 5.4 55.8 25.0 -33.8 512 704 B R S < S- 0 0 11 -3,-1.6 2,-0.2 -4,-0.1 -8,-0.2 -0.700 74.9-115.9 -94.5 143.5 57.8 24.9 -30.6 513 705 B P - 0 0 10 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.534 24.7-128.7 -74.4 136.2 60.8 22.6 -30.0 514 706 B L > - 0 0 71 -2,-0.2 4,-2.2 1,-0.1 3,-0.3 -0.366 35.8 -96.7 -75.7 169.8 60.5 20.0 -27.3 515 707 B F H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.754 115.9 66.1 -73.2 -27.8 63.3 20.0 -24.8 516 708 B P H > S+ 0 0 84 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.982 114.5 35.8 -51.6 -53.1 65.6 17.3 -26.2 517 709 B Q H > S+ 0 0 117 -3,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.943 114.5 56.5 -60.8 -49.0 66.2 19.6 -29.1 518 710 B I H X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.863 111.0 46.5 -52.6 -37.0 66.0 22.8 -26.9 519 711 B L H >X S+ 0 0 10 -4,-2.9 4,-2.3 2,-0.2 3,-1.9 0.986 109.0 49.1 -70.7 -60.0 68.8 21.3 -24.8 520 712 B A H 3X S+ 0 0 53 -4,-2.1 4,-1.3 1,-0.3 -1,-0.2 0.842 108.5 57.4 -49.6 -36.1 71.2 20.1 -27.5 521 713 B S H 3X S+ 0 0 42 -4,-2.2 4,-0.9 1,-0.2 -1,-0.3 0.731 109.4 42.5 -75.7 -22.6 70.9 23.5 -29.2 522 714 B I H << S+ 0 0 1 -3,-1.9 -1,-0.2 -4,-0.7 -2,-0.2 0.744 110.7 56.4 -88.2 -29.2 72.1 25.4 -26.1 523 715 B E H X S+ 0 0 45 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.750 108.6 49.6 -70.3 -22.6 74.8 22.9 -25.4 524 716 B L H >< S+ 0 0 99 -4,-1.3 3,-0.7 -5,-0.3 4,-0.4 0.874 107.5 50.0 -83.2 -39.9 76.1 23.6 -28.9 525 717 B L T 3< S+ 0 0 12 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.365 104.5 64.4 -81.7 7.5 76.2 27.4 -28.7 526 718 B A T 34 S+ 0 0 34 -3,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.716 96.6 52.8 -94.3 -29.9 78.1 26.9 -25.4 527 719 B R S << S+ 0 0 182 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.1 0.540 114.4 43.6 -83.1 -6.8 81.1 25.3 -27.1 528 720 B S S S+ 0 0 86 -4,-0.4 3,-0.4 3,-0.1 -1,-0.2 0.457 101.6 69.7-112.2 -7.6 81.4 28.3 -29.4 529 721 B L S S+ 0 0 40 -3,-0.2 -2,-0.1 2,-0.2 -3,-0.1 0.902 79.3 67.4 -86.0 -44.3 80.8 31.0 -26.9 530 722 B P 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.414 360.0 360.0 -61.0 10.2 83.9 31.1 -24.7 531 723 B K 0 0 221 -3,-0.4 -2,-0.2 0, 0.0 -3,-0.1 0.606 360.0 360.0-121.0 360.0 85.5 32.2 -28.0