==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 23-DEC-10 3Q4C . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE B-RAF; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.XIE,C.STREU,J.QIN,H.PREGMAN,N.PAGANO,E.MEGGERS,R.MARMORSTE . 528 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25043.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 63.8 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 . 66 12.5 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 . 0 0.0 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 . 38 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.9 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 3 1 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 . 5 0 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 1 1 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 1 447 A D 0 0 135 0, 0.0 3,-0.1 0, 0.0 325,-0.0 0.000 360.0 360.0 360.0 147.8 -45.5 5.0 -0.7 2 448 A D - 0 0 110 1,-0.1 0, 0.0 3,-0.0 0, 0.0 0.843 360.0-163.7 62.3 110.3 -43.0 3.0 -2.7 3 449 A W + 0 0 12 2,-0.1 69,-2.4 68,-0.0 2,-1.1 -0.076 45.8 133.7-109.6 29.2 -39.5 4.5 -2.8 4 450 A E B -a 72 0A 74 67,-0.2 69,-0.2 -3,-0.1 3,-0.1 -0.727 58.8-132.8 -84.2 98.8 -38.7 2.2 -5.8 5 451 A I - 0 0 0 67,-1.8 69,-0.3 -2,-1.1 3,-0.1 -0.287 31.9 -99.9 -52.4 124.7 -37.1 4.6 -8.2 6 452 A P > - 0 0 70 0, 0.0 3,-0.9 0, 0.0 4,-0.3 -0.187 56.1 -86.3 -48.2 144.3 -38.6 4.0 -11.6 7 453 A D T 3 S+ 0 0 81 1,-0.2 66,-0.0 2,-0.1 -3,-0.0 -0.196 104.5 14.5 -62.2 140.6 -36.3 1.8 -13.7 8 454 A G T 3 S+ 0 0 66 -3,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.758 91.6 107.0 71.7 25.1 -33.4 3.2 -15.7 9 455 A Q < + 0 0 78 -3,-0.9 2,-0.2 -4,-0.1 -2,-0.1 0.695 59.2 80.5-103.1 -25.2 -33.5 6.7 -14.1 10 456 A I - 0 0 33 -4,-0.3 2,-0.3 -5,-0.1 19,-0.2 -0.525 56.7-170.9 -83.3 148.2 -30.3 6.4 -12.0 11 457 A T B -B 28 0A 81 17,-0.7 17,-0.8 -2,-0.2 2,-0.1 -0.872 9.1-152.4-143.4 108.2 -26.8 6.9 -13.6 12 458 A V + 0 0 69 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.432 20.3 165.3 -79.7 151.2 -23.7 6.1 -11.7 13 459 A G + 0 0 49 1,-0.4 14,-0.2 13,-0.3 -1,-0.1 0.102 47.6 24.1-127.3-117.9 -20.4 7.8 -12.3 14 460 A Q S S- 0 0 144 12,-0.4 12,-1.6 11,-0.1 2,-0.6 0.074 74.3-116.5 -48.7 164.2 -17.1 8.0 -10.3 15 461 A R B +C 25 0A 126 10,-0.2 10,-0.3 1,-0.2 -1,-0.1 -0.950 32.6 176.9-111.2 117.8 -16.3 5.2 -7.8 16 462 A I - 0 0 88 8,-2.1 -1,-0.2 -2,-0.6 9,-0.2 0.957 53.6 -43.2 -83.4 -71.8 -16.1 6.4 -4.3 17 463 A G - 0 0 25 7,-0.7 7,-0.4 1,-0.0 2,-0.2 -0.456 48.7-170.8-137.8-149.7 -15.5 3.4 -2.0 18 464 A S + 0 0 58 5,-0.3 2,-0.3 -2,-0.2 5,-0.2 -0.787 8.7 169.8-175.2-140.5 -16.5 -0.2 -1.4 19 465 A G - 0 0 64 -2,-0.2 4,-0.1 1,-0.1 0, 0.0 -0.948 66.1 -53.6 147.0-122.1 -16.0 -3.0 1.1 20 466 A S S S+ 0 0 114 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.412 126.0 61.4-131.0 -14.7 -17.8 -6.3 1.3 21 467 A F S S- 0 0 74 1,-0.4 2,-0.1 -3,-0.1 -3,-0.0 -0.135 121.3 -64.7-106.0 31.8 -21.4 -5.0 1.3 22 468 A G - 0 0 12 2,-0.0 -1,-0.4 14,-0.0 2,-0.4 -0.282 55.9 -82.5 108.2 165.7 -21.2 -3.4 -2.1 23 469 A T E - D 0 37A 16 14,-1.0 14,-2.2 -5,-0.2 2,-0.4 -0.911 35.2-132.4-113.3 137.0 -19.4 -0.5 -3.8 24 470 A V E - D 0 36A 36 -2,-0.4 -8,-2.1 -7,-0.4 -7,-0.7 -0.719 24.4-178.6 -92.7 135.7 -20.4 3.2 -3.6 25 471 A Y E -CD 15 35A 48 10,-2.6 10,-1.9 -2,-0.4 2,-0.8 -0.798 31.5-119.3-124.5 164.5 -20.6 5.4 -6.7 26 472 A K E + D 0 34A 69 -12,-1.6 -12,-0.4 -2,-0.3 -13,-0.3 -0.856 49.6 165.1-108.3 97.0 -21.4 9.1 -7.2 27 473 A G E - D 0 33A 4 6,-1.2 6,-1.4 -2,-0.8 2,-0.3 -0.008 33.3-116.6 -96.1-158.9 -24.5 9.0 -9.4 28 474 A K E +BD 11 32A 102 -17,-0.8 -17,-0.7 4,-0.2 2,-0.2 -0.932 36.9 149.5-150.0 118.4 -27.2 11.4 -10.5 29 475 A W S S- 0 0 5 2,-2.2 -19,-0.1 -2,-0.3 -2,-0.0 -0.738 92.5 -23.9-149.9 94.3 -30.9 11.2 -9.9 30 476 A H S S- 0 0 17 -2,-0.2 2,-0.2 299,-0.0 355,-0.1 0.916 138.7 -24.0 64.3 44.3 -32.6 14.6 -9.7 31 477 A G S S- 0 0 11 2,-0.1 -2,-2.2 52,-0.0 2,-0.2 -0.620 114.0 -22.8 114.3-175.7 -29.2 16.0 -8.7 32 478 A D E +D 28 0A 85 -4,-0.2 52,-0.9 -2,-0.2 2,-0.3 -0.506 66.6 165.3 -72.6 133.8 -26.0 14.5 -7.1 33 479 A V E -DE 27 83A 1 -6,-1.4 -6,-1.2 -2,-0.2 2,-0.6 -0.962 38.6-120.5-143.9 158.1 -26.6 11.4 -5.1 34 480 A A E -DE 26 82A 14 48,-2.9 48,-2.4 -2,-0.3 2,-0.5 -0.919 31.0-160.5-103.1 118.1 -24.5 8.6 -3.6 35 481 A V E -DE 25 81A 0 -10,-1.9 -10,-2.6 -2,-0.6 2,-0.6 -0.885 5.0-158.9-104.3 122.1 -25.6 5.3 -5.1 36 482 A K E +DE 24 80A 30 44,-2.0 44,-2.2 -2,-0.5 -12,-0.2 -0.888 23.8 178.1-101.8 120.6 -24.6 2.0 -3.3 37 483 A M E -DE 23 79A 28 -14,-2.2 -14,-1.0 -2,-0.6 2,-0.4 -0.612 36.2-139.8-118.0 176.7 -24.7 -1.0 -5.5 38 484 A L - 0 0 26 40,-1.2 40,-0.4 -16,-0.2 -2,-0.0 -0.890 20.4-177.4-136.1 95.0 -24.2 -4.7 -5.7 39 485 A N + 0 0 77 -2,-0.4 2,-0.2 38,-0.1 -1,-0.1 0.729 43.5 117.1 -69.8 -28.3 -22.5 -5.5 -9.1 40 486 A V S S- 0 0 60 1,-0.2 4,-0.1 2,-0.1 -2,-0.0 -0.260 74.1-127.4 -48.6 106.1 -22.3 -9.3 -8.8 41 487 A T S S+ 0 0 146 -2,-0.2 -1,-0.2 1,-0.1 -3,-0.0 0.699 93.3 41.0 -24.6 -52.3 -24.6 -10.1 -11.8 42 488 A A S S- 0 0 68 35,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.931 85.7-131.2-113.9 116.3 -26.9 -12.4 -9.8 43 489 A P - 0 0 61 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.468 26.2-136.0 -64.6 116.5 -27.9 -11.4 -6.3 44 490 A T > - 0 0 57 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.209 22.1-105.6 -69.2 164.1 -27.4 -14.4 -3.9 45 491 A P H > S+ 0 0 118 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.959 117.9 44.3 -56.4 -55.9 -30.0 -15.3 -1.4 46 492 A Q H >> S+ 0 0 164 1,-0.2 4,-1.1 2,-0.2 3,-0.9 0.861 112.8 52.7 -59.1 -37.9 -28.2 -14.0 1.7 47 493 A Q H 3> S+ 0 0 53 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.894 97.1 63.4 -65.1 -43.4 -27.2 -10.7 0.0 48 494 A L H 3X S+ 0 0 60 -4,-2.0 4,-2.0 1,-0.3 -1,-0.3 0.704 104.6 52.9 -55.2 -17.1 -30.8 -10.0 -1.1 49 495 A Q H X S+ 0 0 15 -4,-1.8 4,-3.2 -5,-0.3 3,-1.2 0.964 116.6 48.2 -51.2 -59.2 -31.0 -1.9 5.2 55 501 A V H 3X S+ 0 0 8 -4,-2.0 4,-2.1 1,-0.3 -1,-0.2 0.891 110.2 54.9 -50.3 -40.8 -33.6 -0.4 2.9 56 502 A G H 3< S+ 0 0 22 -4,-1.6 -1,-0.3 -5,-0.5 -2,-0.2 0.800 113.0 40.6 -64.9 -29.5 -36.1 -1.4 5.5 57 503 A V H X< S+ 0 0 4 -4,-1.7 3,-1.7 -3,-1.2 4,-0.2 0.890 111.4 55.6 -84.1 -44.2 -34.3 0.4 8.2 58 504 A L H >< S+ 0 0 7 -4,-3.2 3,-2.2 1,-0.3 11,-0.3 0.878 99.4 60.4 -56.0 -44.4 -33.4 3.5 6.1 59 505 A R T 3< S+ 0 0 65 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.476 96.6 61.9 -66.4 -2.1 -37.0 4.2 5.1 60 506 A K T < S+ 0 0 67 -3,-1.7 2,-0.5 -5,-0.1 -1,-0.3 0.460 91.2 86.7 -99.2 -3.9 -37.9 4.6 8.8 61 507 A T < + 0 0 2 -3,-2.2 8,-0.4 -4,-0.2 2,-0.1 -0.848 34.9 152.5-106.8 129.4 -35.6 7.6 9.1 62 508 A R + 0 0 0 -2,-0.5 2,-0.4 274,-0.1 6,-0.1 -0.572 33.6 127.1-149.0 73.6 -36.5 11.2 8.4 63 509 A H > - 0 0 6 3,-0.1 3,-2.4 -2,-0.1 272,-0.0 -1.000 64.1-122.7-139.6 138.6 -34.2 13.3 10.5 64 510 A V T 3 S+ 0 0 44 -2,-0.4 4,-0.1 1,-0.3 52,-0.1 0.671 110.7 50.2 -50.6 -23.8 -31.8 16.2 9.8 65 511 A N T 3 S+ 0 0 5 79,-0.1 80,-2.2 2,-0.1 2,-0.4 0.231 96.0 79.9-104.2 15.6 -28.9 14.4 11.3 66 512 A I B < S-g 145 0B 3 -3,-2.4 2,-0.3 78,-0.2 80,-0.2 -0.946 97.1 -98.0-118.1 140.3 -29.3 11.1 9.4 67 513 A L - 0 0 21 78,-2.8 -2,-0.1 -2,-0.4 -6,-0.1 -0.437 50.3-112.3 -60.2 117.4 -28.1 10.7 5.9 68 514 A L - 0 0 17 -2,-0.3 15,-2.0 -4,-0.1 2,-0.5 -0.287 24.7-144.2 -57.1 125.5 -31.3 11.2 3.9 69 515 A F E + F 0 82A 0 -8,-0.4 13,-0.2 -11,-0.3 3,-0.1 -0.809 20.9 177.2 -92.1 131.6 -32.5 8.1 2.1 70 516 A M E - 0 0 2 11,-2.4 2,-0.3 -2,-0.5 12,-0.2 0.713 51.1 -48.7-108.7 -28.4 -34.0 8.9 -1.3 71 517 A G E - F 0 81A 0 10,-1.5 10,-2.6 -66,-0.1 -1,-0.4 -0.882 42.5-122.5 166.2 164.0 -35.0 5.6 -2.9 72 518 A Y E -aF 4 80A 34 -69,-2.4 -67,-1.8 -2,-0.3 2,-0.3 -0.875 17.7-155.2-126.7 160.2 -33.8 2.1 -3.9 73 519 A S E + F 0 79A 5 6,-2.3 6,-2.4 -2,-0.3 -69,-0.0 -0.980 18.3 168.2-137.4 149.4 -33.7 0.3 -7.2 74 520 A T + 0 0 43 -2,-0.3 -1,-0.1 -69,-0.3 6,-0.0 0.689 61.8 71.9-123.3 -53.0 -33.7 -3.4 -8.2 75 521 A K S S+ 0 0 126 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.871 107.8 32.6 -39.5 -69.7 -34.2 -3.9 -11.9 76 522 A P S S- 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.990 141.3 -47.6 -53.8 -57.7 -30.9 -2.8 -13.3 77 523 A Q S S- 0 0 79 -35,-0.0 -38,-0.1 2,-0.0 -4,-0.1 -0.951 75.4 -67.1-167.5 156.0 -29.1 -4.1 -10.2 78 524 A L + 0 0 11 -40,-0.4 -40,-1.2 -2,-0.3 2,-0.3 -0.307 66.7 164.9 -52.9 126.2 -29.7 -3.8 -6.4 79 525 A A E -EF 37 73A 2 -6,-2.4 -6,-2.3 -42,-0.2 2,-0.5 -1.000 33.1-155.5-150.0 148.2 -29.0 -0.1 -5.4 80 526 A I E -EF 36 72A 5 -44,-2.2 -44,-2.0 -2,-0.3 2,-0.6 -0.917 15.8-156.6-128.2 107.5 -29.6 2.3 -2.6 81 527 A V E +EF 35 71A 0 -10,-2.6 -11,-2.4 -2,-0.5 -10,-1.5 -0.732 19.3 167.7 -90.2 121.1 -29.7 6.0 -3.5 82 528 A T E -EF 34 69A 21 -48,-2.4 -48,-2.9 -2,-0.6 -13,-0.2 -0.863 43.7 -82.9-125.4 157.8 -28.9 8.5 -0.7 83 529 A Q E -E 33 0A 10 -15,-2.0 2,-0.7 -2,-0.3 -50,-0.2 -0.132 51.1-104.4 -55.0 159.4 -28.2 12.3 -0.9 84 530 A W - 0 0 55 -52,-0.9 2,-0.3 -51,-0.1 -1,-0.1 -0.809 28.1-132.4 -94.2 116.1 -24.7 13.3 -1.7 85 531 A C - 0 0 22 -2,-0.7 2,-1.0 1,-0.1 52,-0.1 -0.503 12.1-153.9 -68.1 124.3 -22.7 14.5 1.3 86 532 A E S S+ 0 0 98 -2,-0.3 53,-1.9 50,-0.1 2,-0.2 -0.608 70.5 29.1-100.2 70.8 -21.0 17.7 0.3 87 533 A G E S-H 138 0B 31 -2,-1.0 2,-0.3 51,-0.2 51,-0.2 -0.819 90.0 -71.4 179.2-137.6 -18.0 17.6 2.7 88 534 A S E -H 137 0B 41 49,-0.9 49,-3.1 -2,-0.2 52,-0.1 -0.984 43.7 -84.3-150.3 159.8 -15.9 14.9 4.4 89 535 A S E > -H 136 0B 19 -2,-0.3 4,-2.4 47,-0.3 47,-0.3 -0.305 35.4-121.7 -64.1 143.9 -16.0 12.3 7.2 90 536 A L H > S+ 0 0 0 45,-3.4 4,-2.2 1,-0.2 5,-0.2 0.830 118.6 57.9 -54.0 -28.3 -15.3 13.5 10.8 91 537 A Y H >>S+ 0 0 65 41,-2.7 4,-3.4 44,-0.4 5,-0.6 0.996 103.3 47.4 -63.1 -64.1 -12.6 10.9 10.4 92 538 A H H >>S+ 0 0 69 40,-0.2 5,-2.1 1,-0.2 4,-1.2 0.825 113.8 49.1 -47.6 -40.7 -11.0 12.6 7.4 93 539 A H H <5S+ 0 0 15 -4,-2.4 6,-3.4 3,-0.2 -1,-0.2 0.951 120.0 35.4 -66.4 -48.3 -11.1 16.0 9.1 94 540 A L H <5S+ 0 0 14 -4,-2.2 -2,-0.2 4,-0.2 -3,-0.2 0.893 131.8 21.6 -72.9 -45.3 -9.5 14.7 12.3 95 541 A H H <5S+ 0 0 34 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.1 0.598 126.3 35.4-106.9 -13.1 -7.0 12.1 11.2 96 542 A I T < - 0 0 129 -2,-0.2 4,-1.1 1,-0.1 5,-0.1 -0.263 38.8-100.4 -72.1 170.6 -12.6 25.4 17.8 103 549 A M H > S+ 0 0 15 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.424 125.2 56.1 -74.4 5.1 -13.8 23.7 21.0 104 550 A I H > S+ 0 0 85 2,-0.2 4,-1.1 3,-0.1 -1,-0.2 0.795 101.9 50.9-100.7 -41.4 -17.2 25.0 20.0 105 551 A K H > S+ 0 0 54 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.737 115.7 47.6 -66.6 -20.8 -17.3 23.4 16.6 106 552 A L H X S+ 0 0 1 -4,-1.1 4,-2.3 2,-0.2 5,-0.2 0.937 107.5 49.5 -83.8 -54.8 -16.4 20.2 18.4 107 553 A I H X S+ 0 0 10 -4,-0.9 4,-1.5 1,-0.2 -2,-0.2 0.719 115.0 51.9 -57.4 -16.6 -18.8 20.3 21.3 108 554 A D H X S+ 0 0 60 -4,-1.1 4,-3.2 2,-0.2 5,-0.3 0.924 103.4 51.2 -84.9 -50.3 -21.3 20.9 18.5 109 555 A I H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.831 113.4 50.2 -54.3 -31.8 -20.4 17.9 16.3 110 556 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.960 109.9 48.7 -70.5 -50.6 -20.8 16.0 19.5 111 557 A R H X S+ 0 0 59 -4,-1.5 4,-1.6 -5,-0.2 -2,-0.2 0.924 114.0 45.9 -53.3 -51.8 -24.2 17.5 20.1 112 558 A Q H X S+ 0 0 19 -4,-3.2 4,-2.2 2,-0.2 5,-0.2 0.928 111.5 50.4 -59.6 -50.5 -25.4 16.9 16.6 113 559 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 5,-0.2 0.937 113.2 46.2 -55.3 -48.4 -24.2 13.2 16.5 114 560 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.3 0.798 107.9 59.8 -64.9 -27.5 -25.9 12.5 19.8 115 561 A Q H X S+ 0 0 5 -4,-1.6 4,-1.4 -5,-0.3 -1,-0.2 0.932 110.5 39.2 -65.4 -46.6 -29.0 14.3 18.5 116 562 A G H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.895 114.2 52.8 -69.7 -42.5 -29.3 11.9 15.5 117 563 A M H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.843 107.1 53.7 -61.6 -35.2 -28.3 8.8 17.6 118 564 A D H X S+ 0 0 18 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.905 109.6 50.3 -64.3 -40.0 -31.0 9.7 20.1 119 565 A Y H X S+ 0 0 1 -4,-1.4 4,-2.1 2,-0.2 3,-0.4 0.961 108.1 49.2 -62.5 -55.3 -33.4 9.8 17.1 120 566 A L H <>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 -1,-0.2 0.882 111.1 52.2 -53.7 -40.3 -32.5 6.4 15.7 121 567 A H H ><5S+ 0 0 16 -4,-2.0 3,-1.2 3,-0.3 -1,-0.2 0.858 105.3 53.0 -67.8 -34.3 -32.9 4.9 19.2 122 568 A A H 3<5S+ 0 0 58 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.959 107.4 50.9 -63.2 -48.3 -36.4 6.3 19.7 123 569 A K T 3<5S- 0 0 49 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.389 126.1-114.0 -68.7 6.1 -37.4 4.8 16.4 124 570 A S T < 5 + 0 0 40 -3,-1.2 2,-0.3 1,-0.2 -3,-0.3 0.855 67.6 143.0 62.8 42.6 -35.9 1.7 18.1 125 571 A I < - 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0 0 89 -3,-1.0 6,-0.2 1,-0.2 5,-0.1 -0.150 52.6-135.7 -46.9 128.7 -44.5 33.1 -21.9 507 698 B K S S+ 0 0 92 1,-0.1 2,-0.7 -27,-0.1 -76,-0.2 0.722 90.3 71.2 -60.2 -24.3 -48.1 34.4 -21.7 508 699 B K S >> S- 0 0 132 1,-0.2 3,-2.4 -78,-0.1 4,-0.5 -0.866 80.9-141.7-102.0 111.1 -49.4 31.3 -23.4 509 700 B R G >4 S+ 0 0 72 -2,-0.7 3,-2.4 1,-0.3 -1,-0.2 0.823 93.8 57.7 -29.0 -69.0 -49.2 28.2 -21.1 510 701 B D G 34 S+ 0 0 140 1,-0.3 -1,-0.3 0, 0.0 -4,-0.0 0.440 99.2 60.3 -52.2 -3.7 -48.2 25.6 -23.7 511 702 B E G <4 S+ 0 0 102 -3,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.639 79.0 103.0-101.1 -15.9 -45.1 27.5 -24.8 512 703 B R S << S- 0 0 8 -3,-2.4 -8,-0.2 -4,-0.5 -68,-0.1 -0.456 72.7-124.2 -69.9 134.6 -43.4 27.4 -21.4 513 704 B P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 -66,-0.1 -0.154 23.2-116.9 -70.0 170.5 -40.6 24.8 -21.0 514 705 B L > - 0 0 63 1,-0.1 4,-2.1 -67,-0.0 3,-0.4 -0.663 29.4 -99.9-106.5 167.0 -40.7 22.2 -18.3 515 706 B F H > S+ 0 0 0 -2,-0.2 4,-4.4 1,-0.2 5,-0.4 0.817 116.7 60.5 -58.8 -36.3 -38.2 21.8 -15.5 516 707 B P H > S+ 0 0 75 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.960 115.2 38.3 -55.1 -45.8 -36.1 19.0 -16.9 517 708 B Q H > S+ 0 0 110 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.825 119.6 47.3 -71.4 -34.4 -35.3 21.3 -19.8 518 709 B I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.948 110.7 50.3 -71.6 -50.0 -35.1 24.4 -17.5 519 710 B L H X S+ 0 0 13 -4,-4.4 4,-1.2 1,-0.2 -2,-0.2 0.856 111.1 52.7 -55.2 -35.4 -32.8 22.6 -15.0 520 711 B A H X S+ 0 0 52 -4,-1.5 4,-1.1 -5,-0.4 -1,-0.2 0.878 109.2 46.8 -68.4 -41.1 -30.7 21.6 -18.0 521 712 B S H X S+ 0 0 46 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.826 112.1 50.4 -71.2 -34.2 -30.4 25.2 -19.3 522 713 B I H X S+ 0 0 0 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.764 108.5 53.7 -75.5 -26.2 -29.5 26.5 -15.8 523 714 B E H X S+ 0 0 68 -4,-1.2 4,-1.2 -5,-0.3 -1,-0.2 0.770 106.3 51.7 -79.3 -26.0 -26.9 23.9 -15.4 524 715 B L H X S+ 0 0 112 -4,-1.1 4,-0.8 2,-0.2 -2,-0.2 0.877 110.7 44.8 -77.9 -39.8 -25.1 24.8 -18.7 525 716 B L H < S+ 0 0 11 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.680 105.3 69.3 -76.8 -15.3 -24.8 28.5 -18.0 526 717 B A H < S+ 0 0 37 -4,-0.6 -2,-0.2 -5,-0.1 -1,-0.2 0.990 100.1 42.3 -63.3 -63.1 -23.6 27.5 -14.5 527 718 B R H < S+ 0 0 195 -4,-1.2 2,-1.4 1,-0.2 -2,-0.1 0.958 110.7 51.5 -46.7 -82.6 -20.3 26.0 -15.5 528 719 B S < + 0 0 85 -4,-0.8 -1,-0.2 1,-0.2 3,-0.1 -0.443 69.9 122.9 -63.4 91.4 -19.0 28.5 -18.1 529 720 B L - 0 0 58 -2,-1.4 2,-0.2 1,-0.4 -1,-0.2 0.934 63.4-146.4 -85.3 -53.3 -19.4 31.7 -16.0 530 721 B P 0 0 116 0, 0.0 -1,-0.4 0, 0.0 0, 0.0 -0.488 360.0 360.0 -86.6 -79.2 -16.5 32.1 -16.4 531 722 B K 0 0 238 -2,-0.2 -3,-0.0 -3,-0.1 0, 0.0 -0.067 360.0 360.0-171.9 360.0 -14.6 33.8 -13.5