==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 24-NOV-10 3PPJ . 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 . 526 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 68.1 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 . 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 . 158 30.0 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 4 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 89 0, 0.0 386,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.1 58.2 5.7 -9.9 2 449 A D - 0 0 91 1,-0.1 0, 0.0 69,-0.0 0, 0.0 0.061 360.0-143.0 -60.5 160.1 60.9 3.0 -10.3 3 450 A W + 0 0 17 2,-0.1 69,-1.6 68,-0.0 -1,-0.1 0.403 57.6 119.5-107.9 -2.0 64.6 3.8 -10.7 4 451 A E B -a 72 0A 81 67,-0.2 69,-0.2 1,-0.1 0, 0.0 -0.397 56.9-137.9 -64.0 143.9 65.7 1.2 -13.3 5 452 A I - 0 0 4 67,-2.4 69,-0.3 -2,-0.0 70,-0.3 -0.917 18.0-109.4-112.3 132.2 67.0 2.7 -16.4 6 453 A P > - 0 0 69 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.280 47.4 -90.5 -59.2 135.8 66.2 1.4 -20.0 7 454 A D T 3 S+ 0 0 87 1,-0.2 66,-0.0 2,-0.1 0, 0.0 -0.117 108.7 20.4 -48.4 131.9 69.1 -0.3 -21.8 8 455 A G T 3 S+ 0 0 61 2,-0.1 -1,-0.2 -3,-0.1 0, 0.0 0.203 92.0 99.8 98.1 -17.0 71.2 2.0 -23.9 9 456 A Q < + 0 0 88 -3,-1.9 2,-0.3 2,-0.0 21,-0.2 0.903 68.8 74.7 -68.1 -41.9 70.3 5.4 -22.2 10 457 A I S S- 0 0 27 -4,-0.4 2,-0.7 19,-0.1 19,-0.2 -0.578 72.0-153.4 -77.7 128.5 73.5 5.5 -20.1 11 458 A T E -B 28 0A 87 17,-2.6 17,-1.5 -2,-0.3 2,-0.3 -0.877 10.6-147.2-107.5 106.5 76.6 6.4 -22.1 12 459 A V E +B 27 0A 66 -2,-0.7 15,-0.2 15,-0.2 3,-0.1 -0.524 28.2 160.9 -77.8 134.9 79.7 4.9 -20.5 13 460 A G E + 0 0 44 13,-1.3 14,-0.1 1,-0.4 -1,-0.1 0.076 41.6 9.1-119.4-131.3 82.9 7.0 -20.9 14 461 A Q E - 0 0 148 12,-0.1 12,-1.7 11,-0.1 2,-0.5 -0.122 62.7-127.2 -50.0 144.0 86.3 7.2 -19.2 15 462 A R E +B 25 0A 137 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.880 33.2 171.6 -90.4 131.1 87.3 4.6 -16.6 16 463 A I E - 0 0 79 8,-2.2 2,-0.3 -2,-0.5 9,-0.2 0.513 50.4 -64.0-123.0 -11.7 88.4 6.6 -13.5 17 464 A G E -B 24 0A 21 7,-1.4 7,-1.9 2,-0.0 -1,-0.3 -0.996 56.4 -66.1 161.0-157.3 88.9 3.9 -10.8 18 465 A S E -B 23 0A 87 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.787 30.6-178.2-123.1 166.9 87.2 1.3 -8.7 19 466 A G E > -B 22 0A 18 3,-0.9 3,-1.9 -2,-0.3 128,-0.0 -0.896 53.0 -46.3-149.2 178.7 84.6 1.0 -6.0 20 467 A S T 3 S- 0 0 17 -2,-0.3 3,-0.1 1,-0.3 128,-0.1 -0.234 124.6 -8.3 -52.1 132.4 83.1 -1.7 -3.9 21 468 A F T 3 S+ 0 0 69 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.747 129.6 37.9 56.2 27.8 82.2 -4.7 -6.1 22 469 A G E < S-B 19 0A 19 -3,-1.9 -3,-0.9 16,-0.1 2,-0.4 -0.932 80.9 -83.3-171.6-165.3 82.8 -2.8 -9.3 23 470 A T E -BC 18 37A 35 14,-1.1 14,-2.5 -2,-0.3 2,-0.3 -0.992 38.3-138.8-130.6 121.8 84.6 -0.4 -11.8 24 471 A V E +BC 17 36A 29 -7,-1.9 -8,-2.2 -2,-0.4 -7,-1.4 -0.647 25.8 173.6 -87.9 135.6 83.8 3.3 -11.6 25 472 A Y E -BC 15 35A 54 10,-3.3 10,-3.4 -2,-0.3 2,-0.5 -0.929 33.1-120.3-129.6 157.0 83.4 5.3 -14.8 26 473 A K E + C 0 34A 68 -12,-1.7 -13,-1.3 -2,-0.3 8,-0.2 -0.867 48.1 164.6 -90.9 133.8 82.3 8.9 -15.7 27 474 A G E -BC 12 33A 3 6,-3.9 6,-2.0 -2,-0.5 2,-0.4 -0.688 36.1-108.3-137.1-172.3 79.2 8.8 -17.9 28 475 A K E +BC 11 32A 97 -17,-1.5 -17,-2.6 4,-0.2 4,-0.2 -0.996 41.2 140.9-127.4 129.9 76.3 10.7 -19.5 29 476 A W S S- 0 0 21 2,-2.9 -19,-0.1 -2,-0.4 -2,-0.1 -0.545 95.0 -24.9-163.3 94.7 72.7 10.2 -18.5 30 477 A H S S- 0 0 40 -21,-0.2 2,-0.2 -2,-0.1 353,-0.1 0.959 139.4 -26.3 53.4 52.6 70.7 13.5 -18.5 31 478 A G S S- 0 0 17 2,-0.1 -2,-2.9 52,-0.0 2,-0.2 -0.624 113.8 -22.1 110.8-172.0 74.1 15.1 -17.8 32 479 A D E +C 28 0A 68 -4,-0.2 52,-0.6 -2,-0.2 2,-0.3 -0.562 66.5 168.6 -76.0 138.8 77.3 13.9 -16.3 33 480 A V E -CD 27 83A 0 -6,-2.0 -6,-3.9 -2,-0.2 2,-0.5 -0.988 35.0-119.5-147.5 152.5 77.0 10.9 -13.9 34 481 A A E -CD 26 82A 16 48,-1.9 48,-2.5 49,-0.9 2,-0.4 -0.824 30.1-162.4 -92.3 134.5 79.3 8.4 -12.1 35 482 A V E -CD 25 81A 1 -10,-3.4 -10,-3.3 -2,-0.5 2,-0.6 -0.976 9.6-164.6-123.6 129.3 78.7 4.8 -13.1 36 483 A K E -CD 24 80A 17 44,-1.7 44,-2.0 -2,-0.4 2,-0.6 -0.939 10.8-156.4-112.0 113.3 79.8 1.8 -11.1 37 484 A M E -CD 23 79A 16 -14,-2.5 -14,-1.1 -2,-0.6 42,-0.3 -0.814 5.5-158.1 -97.8 122.5 79.7 -1.5 -13.1 38 485 A L - 0 0 2 40,-3.0 2,-0.3 -2,-0.6 41,-0.1 0.191 65.6 -2.2 -88.3 17.0 79.4 -4.6 -10.9 39 486 A N - 0 0 21 39,-0.4 -16,-0.1 -16,-0.1 2,-0.1 -0.992 42.2-139.2-172.3 166.2 80.8 -7.0 -13.5 40 487 A V S S+ 0 0 116 -2,-0.3 38,-0.2 2,-0.1 -2,-0.1 0.276 89.5 12.2 -97.0-103.8 82.1 -8.0 -16.9 41 488 A T S S- 0 0 135 1,-0.1 -2,-0.0 -2,-0.1 0, 0.0 0.834 119.6 -21.2 -48.0-116.3 80.6 -11.3 -18.0 42 489 A A S S- 0 0 74 35,-0.1 -1,-0.1 1,-0.0 -2,-0.1 -0.839 73.5-103.1-104.3 142.9 77.7 -12.9 -16.1 43 490 A P - 0 0 61 0, 0.0 -4,-0.1 0, 0.0 -1,-0.0 -0.322 24.9-140.1 -64.3 130.1 76.7 -12.0 -12.5 44 491 A T > - 0 0 66 1,-0.1 4,-2.9 -2,-0.1 5,-0.1 -0.461 26.4-117.7 -72.0 157.6 77.5 -14.3 -9.6 45 492 A P H > S+ 0 0 110 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.670 120.6 63.4 -67.3 -15.9 74.8 -14.6 -7.0 46 493 A Q H > S+ 0 0 113 2,-0.2 4,-1.7 3,-0.1 3,-0.5 0.976 110.7 33.1 -61.6 -58.7 77.6 -13.1 -4.9 47 494 A Q H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.879 112.1 63.7 -68.4 -38.0 77.5 -9.9 -7.0 48 495 A L H X S+ 0 0 62 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.823 106.6 44.8 -58.2 -32.9 73.8 -10.1 -7.6 49 496 A Q H X S+ 0 0 117 -4,-1.0 4,-3.2 -3,-0.5 5,-0.2 0.952 109.7 51.7 -76.0 -51.0 73.2 -9.7 -3.9 50 497 A A H X S+ 0 0 9 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.812 112.2 50.4 -58.9 -29.7 75.7 -6.9 -3.3 51 498 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.4 0.989 111.9 43.6 -67.8 -62.5 74.0 -5.1 -6.1 52 499 A K H X S+ 0 0 98 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.829 116.5 50.8 -54.0 -34.7 70.4 -5.5 -4.9 53 500 A N H X S+ 0 0 47 -4,-3.2 4,-1.0 2,-0.2 -1,-0.2 0.981 110.8 46.0 -64.0 -57.4 71.7 -4.6 -1.4 54 501 A E H >X S+ 0 0 3 -4,-2.2 4,-2.8 1,-0.3 3,-1.3 0.924 114.7 45.5 -57.6 -52.2 73.5 -1.4 -2.4 55 502 A V H 3X S+ 0 0 6 -4,-2.4 4,-2.2 1,-0.3 -1,-0.3 0.885 108.6 59.5 -56.1 -37.7 70.7 -0.0 -4.6 56 503 A G H 3< S+ 0 0 29 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.719 111.5 40.3 -66.9 -20.1 68.3 -0.9 -1.8 57 504 A V H X< S+ 0 0 2 -3,-1.3 3,-2.4 -4,-1.0 4,-0.4 0.879 110.8 54.2 -91.0 -50.2 70.2 1.4 0.5 58 505 A L H >< S+ 0 0 5 -4,-2.8 3,-3.1 1,-0.3 11,-0.2 0.909 100.4 61.7 -50.9 -46.5 70.9 4.3 -1.8 59 506 A R T 3< S+ 0 0 67 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.399 99.5 57.8 -69.2 7.1 67.2 4.6 -2.6 60 507 A K T < S+ 0 0 48 -3,-2.4 2,-0.6 -5,-0.1 -1,-0.3 0.447 93.0 84.5-106.0 -7.5 66.7 5.3 1.1 61 508 A T < + 0 0 2 -3,-3.1 8,-0.4 -4,-0.4 2,-0.3 -0.865 38.5 156.9-104.5 119.6 69.1 8.3 1.0 62 509 A R + 0 0 2 -2,-0.6 2,-0.3 272,-0.1 5,-0.1 -0.741 33.0 123.6-132.6 88.9 68.0 11.8 -0.0 63 510 A H > - 0 0 6 -2,-0.3 3,-0.6 3,-0.2 270,-0.1 -0.986 65.8-123.0-144.1 152.7 70.4 14.2 1.5 64 511 A V T 3 S+ 0 0 37 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.774 112.9 48.6 -64.1 -26.1 72.7 17.0 0.2 65 512 A N T 3 S+ 0 0 7 79,-0.1 80,-3.4 2,-0.1 2,-0.4 0.586 96.1 79.5 -96.4 -11.6 75.7 15.3 1.9 66 513 A I B < S-f 145 0B 2 -3,-0.6 -3,-0.2 78,-0.3 80,-0.2 -0.796 97.5 -99.4 -92.8 139.4 75.1 11.7 0.6 67 514 A L - 0 0 21 78,-2.5 2,-0.4 -2,-0.4 -2,-0.1 -0.379 48.6-108.3 -60.0 126.9 76.2 11.0 -3.0 68 515 A L - 0 0 17 -4,-0.1 15,-2.0 -2,-0.1 2,-0.4 -0.409 24.1-145.6 -70.2 116.7 73.0 11.3 -5.0 69 516 A F E + E 0 82A 0 -2,-0.4 13,-0.3 -8,-0.4 3,-0.1 -0.670 24.1 171.8 -74.4 130.0 71.7 8.0 -6.3 70 517 A M E - 0 0 3 11,-2.7 2,-0.3 1,-0.4 12,-0.2 0.713 51.9 -45.6-114.1 -33.5 70.1 8.6 -9.7 71 518 A G E - E 0 81A 0 10,-2.0 10,-2.6 -66,-0.0 -1,-0.4 -0.973 45.0-123.0 177.6 175.6 69.3 5.1 -11.2 72 519 A Y E -aE 4 80A 19 -69,-1.6 -67,-2.4 -2,-0.3 2,-0.4 -0.970 12.1-157.7-138.6 157.2 70.5 1.6 -11.8 73 520 A S E + E 0 79A 2 6,-2.6 6,-3.0 -2,-0.3 -69,-0.0 -0.999 19.7 163.9-136.3 140.4 70.9 -0.7 -14.8 74 521 A T + 0 0 49 -2,-0.4 -1,-0.1 -69,-0.3 6,-0.0 0.661 61.6 82.6-111.3 -34.1 71.0 -4.5 -15.1 75 522 A K S S+ 0 0 123 -70,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.806 106.7 19.3 -61.8 -50.3 70.4 -5.1 -18.8 76 523 A P S S- 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.950 142.8 -31.0 -74.9 -55.7 73.9 -4.7 -20.3 77 524 A Q S S- 0 0 59 -35,-0.0 2,-0.5 2,-0.0 -36,-0.1 -0.930 78.5 -78.4-146.7 169.4 75.7 -5.1 -17.0 78 525 A L + 0 0 8 -2,-0.3 -40,-3.0 -38,-0.2 -39,-0.4 -0.652 64.3 165.5 -71.0 123.4 74.9 -4.4 -13.3 79 526 A A E -DE 37 73A 4 -6,-3.0 -6,-2.6 -2,-0.5 2,-0.5 -1.000 32.9-149.8-148.1 143.2 75.5 -0.7 -12.9 80 527 A I E -DE 36 72A 6 -44,-2.0 -44,-1.7 -2,-0.3 2,-0.5 -0.950 15.1-157.1-117.8 115.8 74.8 2.0 -10.4 81 528 A V E +DE 35 71A 0 -10,-2.6 -11,-2.7 -2,-0.5 -10,-2.0 -0.805 20.5 162.6 -95.6 124.6 74.3 5.6 -11.7 82 529 A T E -DE 34 69A 13 -48,-2.5 -48,-1.9 -2,-0.5 -13,-0.2 -0.808 45.3 -79.3-124.6 171.8 74.9 8.5 -9.3 83 530 A Q E -D 33 0A 5 -15,-2.0 -49,-0.9 -2,-0.3 2,-0.4 -0.034 50.1-115.3 -55.9 172.7 75.4 12.2 -9.9 84 531 A W - 0 0 51 -52,-0.6 2,-0.5 -51,-0.2 -52,-0.1 -0.945 19.3-153.3-119.8 143.2 78.9 13.3 -10.9 85 532 A C - 0 0 16 -2,-0.4 2,-0.2 53,-0.1 52,-0.1 -0.952 9.5-143.3-119.7 116.0 81.3 15.5 -8.8 86 533 A E S S+ 0 0 105 -2,-0.5 53,-1.0 2,-0.0 54,-0.5 -0.562 77.3 38.1 -71.1 140.3 84.0 17.7 -10.4 87 534 A G S S- 0 0 25 -2,-0.2 53,-0.1 51,-0.1 52,-0.1 0.464 93.7 -90.0 80.9 137.2 87.0 17.7 -8.2 88 535 A S - 0 0 53 1,-0.2 49,-1.9 48,-0.1 2,-0.2 0.410 43.2 -66.8 -84.6-164.1 88.2 14.6 -6.4 89 536 A S B > -G 136 0B 13 47,-0.2 4,-2.2 1,-0.1 3,-0.5 -0.493 46.9-108.7 -83.6 152.7 87.8 12.7 -3.1 90 537 A L H > S+ 0 0 0 45,-3.6 4,-2.1 42,-0.3 43,-0.2 0.831 119.8 56.4 -49.4 -38.8 89.1 14.0 0.2 91 538 A Y H >>S+ 0 0 63 41,-2.1 4,-3.4 44,-0.3 5,-0.6 0.944 106.2 48.1 -58.4 -52.1 91.9 11.4 0.1 92 539 A H H >>S+ 0 0 62 -3,-0.5 5,-2.4 40,-0.3 4,-1.7 0.927 113.1 49.6 -55.2 -46.1 93.1 12.6 -3.3 93 540 A H H <5S+ 0 0 14 -4,-2.2 6,-2.5 1,-0.2 -1,-0.2 0.851 119.8 36.0 -61.3 -36.3 93.1 16.2 -2.0 94 541 A L H <5S+ 0 0 13 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.840 132.1 19.2 -90.5 -36.2 95.0 15.3 1.1 95 542 A H H <5S+ 0 0 39 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.548 127.1 36.8-118.5 -12.2 97.5 12.6 0.1 96 543 A I T < - 0 0 142 -2,-0.1 4,-2.3 1,-0.1 3,-0.5 -0.545 32.5-111.1 -83.6 158.2 92.5 26.5 5.7 103 550 A M H > S+ 0 0 10 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.849 118.0 54.3 -61.2 -35.2 91.4 25.5 9.1 104 551 A I H > S+ 0 0 90 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.859 110.6 47.0 -68.2 -34.4 87.9 26.9 8.6 105 552 A K H > S+ 0 0 68 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.898 110.6 51.3 -73.7 -42.3 87.5 24.8 5.5 106 553 A L H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.923 111.3 47.1 -62.1 -47.5 88.8 21.6 7.1 107 554 A I H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.898 111.2 53.0 -60.1 -40.5 86.4 21.9 10.0 108 555 A D H X S+ 0 0 48 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.930 106.7 51.0 -63.4 -45.5 83.6 22.6 7.5 109 556 A I H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.885 112.5 48.4 -56.2 -38.8 84.5 19.5 5.6 110 557 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.874 108.6 53.6 -67.6 -36.3 84.3 17.7 9.0 111 558 A R H X S+ 0 0 73 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.831 111.4 44.4 -72.2 -31.8 81.0 19.4 9.8 112 559 A Q H X S+ 0 0 15 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.944 111.8 50.9 -75.8 -50.3 79.3 18.2 6.6 113 560 A T H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.911 112.9 48.0 -51.4 -47.4 80.7 14.6 6.8 114 561 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.953 108.8 55.4 -53.3 -51.5 79.3 14.5 10.3 115 562 A Q H X S+ 0 0 6 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.868 109.9 44.4 -53.2 -43.8 76.0 15.9 9.0 116 563 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.866 110.8 52.8 -73.2 -37.3 75.6 13.2 6.5 117 564 A M H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.916 105.9 54.4 -64.6 -43.0 76.6 10.3 8.8 118 565 A D H X S+ 0 0 21 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.927 108.1 52.4 -52.9 -44.8 74.0 11.6 11.3 119 566 A Y H X S+ 0 0 0 -4,-1.5 4,-0.9 -5,-0.2 -2,-0.2 0.965 110.5 45.1 -54.6 -59.0 71.5 11.3 8.5 120 567 A L H ><>S+ 0 0 0 -4,-2.4 5,-3.0 1,-0.2 3,-0.8 0.888 114.3 47.8 -53.6 -48.4 72.5 7.7 7.6 121 568 A H H ><5S+ 0 0 14 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.850 104.8 59.6 -65.8 -34.3 72.5 6.5 11.2 122 569 A A H 3<5S+ 0 0 57 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.740 108.8 46.7 -64.2 -21.3 69.1 8.2 11.8 123 570 A K T <<5S- 0 0 52 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.197 122.6-109.6-103.4 12.9 67.9 5.9 9.1 124 571 A S T < 5S+ 0 0 67 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.839 70.8 146.6 60.6 35.4 69.6 2.9 10.6 125 572 A I < - 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