==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 17-MAY-13 4KSQ . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE B-RAF; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.K.YANO,O.MASANORI . 513 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 13.8 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 . 28 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 1 1 2 0 0 0 4 0 1 1 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 . 1 0 1 4 3 3 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 1 447 A D 0 0 106 0, 0.0 2,-0.4 0, 0.0 318,-0.1 0.000 360.0 360.0 360.0 156.3 49.5 -14.8 9.2 2 448 A D - 0 0 114 2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.941 360.0-179.3-142.7 113.9 50.5 -17.0 12.2 3 449 A W + 0 0 9 -2,-0.4 69,-1.8 2,-0.1 2,-0.1 0.271 36.4 131.1-103.2 12.3 48.8 -20.3 12.6 4 450 A E B -a 72 0A 88 67,-0.2 69,-0.2 1,-0.1 -2,-0.1 -0.409 49.4-141.5 -63.7 139.1 50.5 -21.4 15.9 5 451 A I - 0 0 5 67,-2.6 69,-0.2 -2,-0.1 4,-0.1 -0.848 21.8-109.6-102.0 137.0 48.0 -22.7 18.5 6 452 A P > - 0 0 65 0, 0.0 3,-0.8 0, 0.0 4,-0.3 -0.232 40.0 -93.3 -63.9 158.1 48.6 -21.8 22.2 7 453 A D T 3 S+ 0 0 121 1,-0.2 66,-0.0 2,-0.1 68,-0.0 -0.175 103.8 23.7 -65.7 158.8 49.6 -24.4 24.7 8 454 A G T 3 S+ 0 0 88 1,-0.1 -1,-0.2 2,-0.1 3,-0.0 0.709 94.7 101.6 56.9 24.6 47.1 -26.4 26.8 9 455 A Q < + 0 0 83 -3,-0.8 2,-0.3 -4,-0.1 -2,-0.1 0.794 62.6 73.0 -99.3 -40.0 44.3 -25.7 24.3 10 456 A I - 0 0 37 -4,-0.3 2,-0.7 19,-0.1 19,-0.2 -0.577 62.8-155.2 -85.5 136.9 44.2 -29.1 22.5 11 457 A T E -B 28 0A 88 17,-1.8 17,-1.5 -2,-0.3 2,-0.5 -0.907 10.8-152.1-110.4 101.4 42.7 -32.2 24.1 12 458 A V E +B 27 0A 61 -2,-0.7 15,-0.2 15,-0.2 3,-0.1 -0.624 25.5 174.5 -69.0 121.9 44.2 -35.3 22.5 13 459 A G E - 0 0 32 13,-2.9 14,-0.1 -2,-0.5 -1,-0.1 -0.037 40.7 -4.9-106.1-148.1 41.7 -38.0 22.8 14 460 A Q E S- 0 0 129 11,-0.1 12,-2.1 1,-0.1 -1,-0.3 -0.002 75.4-107.5 -48.5 145.6 41.4 -41.6 21.6 15 461 A R E -B 25 0A 164 10,-0.2 10,-0.2 1,-0.1 -1,-0.1 -0.496 31.5-178.4 -77.8 147.4 44.2 -42.9 19.2 16 462 A I E - 0 0 98 8,-2.5 2,-0.2 1,-0.3 9,-0.2 0.652 63.6 -7.7-120.3 -30.2 43.3 -43.4 15.6 17 463 A G E -B 24 0A 25 7,-1.3 7,-1.8 2,-0.0 -1,-0.3 -0.787 55.1-151.1-174.1 131.6 46.5 -44.7 13.9 18 464 A S E +B 23 0A 82 -2,-0.2 2,-0.2 5,-0.2 5,-0.2 -0.520 23.5 151.3 -98.2 167.7 50.1 -45.4 14.8 19 465 A G E > -B 22 0A 28 3,-0.7 3,-0.7 -2,-0.2 -2,-0.0 -0.677 55.6-100.7 166.6 142.2 53.2 -45.4 12.6 20 466 A S T 3 S+ 0 0 141 1,-0.3 3,-0.1 -2,-0.2 19,-0.0 0.578 117.7 58.0 -56.3 -14.0 57.0 -44.7 12.9 21 467 A F T 3 S- 0 0 91 1,-0.2 -1,-0.3 17,-0.0 2,-0.2 0.952 123.6 -62.7 -73.1 -56.2 56.6 -41.2 11.3 22 468 A G E < -B 19 0A 5 -3,-0.7 -3,-0.7 16,-0.2 2,-0.3 -0.678 52.6 -90.0-162.8-145.3 54.1 -39.9 13.9 23 469 A T E -BC 18 37A 6 14,-2.2 14,-3.5 -2,-0.2 2,-0.4 -0.988 19.3-146.1-155.6 143.5 50.6 -40.5 15.4 24 470 A V E +BC 17 36A 30 -7,-1.8 -8,-2.5 -2,-0.3 -7,-1.3 -0.952 19.8 179.0-119.7 135.4 47.0 -39.3 14.8 25 471 A Y E -BC 15 35A 35 10,-1.8 10,-2.6 -2,-0.4 2,-0.3 -0.938 33.2-117.6-129.4 150.0 44.4 -38.7 17.4 26 472 A K E + C 0 34A 40 -12,-2.1 -13,-2.9 -2,-0.3 2,-0.3 -0.706 52.9 165.7 -75.5 141.5 40.8 -37.5 17.6 27 473 A G E -BC 12 33A 4 6,-2.7 6,-2.1 -2,-0.3 2,-0.5 -0.859 38.9-107.3-148.9-179.6 40.9 -34.4 19.7 28 474 A K E +BC 11 32A 82 -17,-1.5 -17,-1.8 -2,-0.3 4,-0.2 -0.975 45.4 138.1-122.8 112.8 39.1 -31.2 20.9 29 475 A W S S- 0 0 15 2,-2.1 -19,-0.1 -2,-0.5 -2,-0.1 -0.677 93.8 -25.0-148.1 98.5 40.1 -27.8 19.6 30 476 A H S S- 0 0 30 -2,-0.2 2,-0.2 3,-0.0 348,-0.1 0.996 135.2 -32.0 55.6 66.2 37.0 -25.7 18.9 31 477 A G S S- 0 0 12 2,-0.0 -2,-2.1 344,-0.0 2,-0.3 -0.497 118.4 -13.2 89.4-161.6 34.9 -28.8 18.3 32 478 A D E S+C 28 0A 52 -4,-0.2 52,-0.8 -2,-0.2 2,-0.3 -0.548 70.7 165.2 -77.3 136.1 36.2 -32.1 16.9 33 479 A V E -CD 27 83A 0 -6,-2.1 -6,-2.7 -2,-0.3 2,-0.4 -0.950 35.9-119.8-143.7 163.6 39.6 -32.2 15.2 34 480 A A E -CD 26 82A 13 48,-3.1 48,-2.3 -2,-0.3 2,-0.5 -0.890 25.9-161.1-103.6 139.4 42.3 -34.5 14.0 35 481 A V E -CD 25 81A 0 -10,-2.6 -10,-1.8 -2,-0.4 2,-0.7 -0.919 6.8-165.4-128.8 103.5 45.8 -34.2 15.6 36 482 A K E -CD 24 80A 29 44,-2.6 44,-2.7 -2,-0.5 2,-0.3 -0.813 22.2-177.4 -85.4 117.1 48.9 -35.6 14.0 37 483 A M E -CD 23 79A 27 -14,-3.5 -14,-2.2 -2,-0.7 2,-0.6 -0.786 31.1-124.4-113.4 158.6 51.7 -35.6 16.6 38 484 A L - 0 0 23 40,-2.0 2,-0.7 -2,-0.3 40,-0.2 -0.915 25.1-147.4-100.2 120.9 55.3 -36.5 16.5 39 485 A N + 0 0 86 -2,-0.6 2,-0.3 -18,-0.2 -17,-0.1 -0.262 64.9 80.6 -97.7 48.2 55.8 -39.1 19.3 40 486 A V S S- 0 0 69 -2,-0.7 -2,-0.1 1,-0.1 0, 0.0 -0.798 71.2-132.5-124.2 178.0 59.3 -38.5 20.5 41 487 A T S S+ 0 0 137 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 0.881 94.3 40.5 -92.2 -54.1 60.5 -35.8 23.0 42 488 A A S S- 0 0 75 35,-0.1 -1,-0.2 0, 0.0 2,-0.2 -0.836 81.4-148.7-103.7 102.2 63.5 -34.4 21.2 43 489 A P - 0 0 57 0, 0.0 -5,-0.0 0, 0.0 -4,-0.0 -0.470 13.3-126.9 -72.5 141.0 62.9 -34.0 17.4 44 490 A T > - 0 0 62 -2,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.285 27.9-103.9 -74.5 165.4 65.8 -34.4 15.0 45 491 A P H > S+ 0 0 100 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.878 124.0 53.4 -53.3 -38.6 66.7 -31.8 12.4 46 492 A Q H > S+ 0 0 139 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.796 110.9 45.4 -69.9 -31.8 65.2 -34.1 9.7 47 493 A Q H > S+ 0 0 57 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.907 113.3 48.3 -76.1 -46.7 61.9 -34.3 11.7 48 494 A L H X S+ 0 0 71 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.887 113.7 48.9 -58.7 -42.8 61.6 -30.6 12.4 49 495 A Q H X S+ 0 0 103 -4,-2.1 4,-1.6 -5,-0.2 3,-0.3 0.966 109.3 50.1 -62.0 -53.8 62.3 -29.8 8.8 50 496 A A H X S+ 0 0 35 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.733 109.3 54.5 -58.9 -26.1 59.8 -32.3 7.4 51 497 A F H X S+ 0 0 22 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.892 106.0 49.7 -72.6 -45.7 57.2 -30.8 9.8 52 498 A K H X S+ 0 0 127 -4,-1.8 4,-2.4 -3,-0.3 -2,-0.2 0.790 109.9 54.1 -62.9 -28.7 57.8 -27.2 8.5 53 499 A N H X S+ 0 0 92 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.832 108.3 47.1 -74.0 -36.2 57.4 -28.7 5.0 54 500 A E H X S+ 0 0 47 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.928 116.7 43.2 -72.3 -46.1 54.0 -30.2 5.7 55 501 A V H X S+ 0 0 11 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.974 110.9 57.0 -58.4 -53.2 52.7 -27.0 7.4 56 502 A G H < S+ 0 0 28 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.819 114.1 39.2 -45.7 -39.3 54.3 -25.0 4.5 57 503 A V H >< S+ 0 0 62 -4,-1.4 3,-1.7 2,-0.1 -1,-0.2 0.969 114.6 50.6 -76.3 -57.9 52.2 -27.0 2.0 58 504 A L H >< S+ 0 0 30 -4,-2.8 3,-2.1 1,-0.3 11,-0.3 0.838 104.6 56.3 -52.0 -43.9 49.0 -27.3 4.0 59 505 A R T 3< S+ 0 0 84 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.1 0.701 98.8 63.4 -68.6 -17.3 48.7 -23.6 4.8 60 506 A K T < S+ 0 0 102 -3,-1.7 2,-0.4 -4,-0.3 -1,-0.3 0.393 93.4 83.9 -81.1 3.2 48.9 -22.8 1.0 61 507 A T < + 0 0 4 -3,-2.1 8,-0.3 -4,-0.1 2,-0.2 -0.920 39.4 158.4-116.3 133.6 45.5 -24.8 0.5 62 508 A R + 0 0 3 -2,-0.4 2,-0.3 267,-0.1 5,-0.1 -0.763 32.1 119.9-149.1 96.9 42.0 -23.6 0.9 63 509 A H > - 0 0 8 3,-0.3 3,-2.6 -2,-0.2 265,-0.0 -0.947 64.0-122.5-165.3 138.5 39.5 -25.7 -1.0 64 510 A V T 3 S+ 0 0 41 1,-0.3 4,-0.1 -2,-0.3 -1,-0.1 0.825 113.3 53.0 -57.2 -37.1 36.4 -27.8 -0.1 65 511 A N T 3 S+ 0 0 3 79,-0.1 80,-2.3 47,-0.1 2,-0.4 0.288 99.1 80.2 -84.2 9.1 37.9 -31.0 -1.7 66 512 A I B < S-f 145 0B 9 -3,-2.6 -3,-0.3 78,-0.2 80,-0.2 -0.969 95.4-101.4-116.5 135.8 41.1 -30.5 0.4 67 513 A L - 0 0 13 78,-2.2 2,-0.9 -2,-0.4 -2,-0.1 -0.281 47.2-111.4 -50.3 126.3 41.4 -31.6 4.0 68 514 A L - 0 0 16 -4,-0.1 15,-1.9 -6,-0.1 2,-0.2 -0.541 25.1-149.6 -75.9 104.5 41.0 -28.4 6.1 69 515 A F E + E 0 82A 0 -2,-0.9 13,-0.2 -11,-0.3 3,-0.1 -0.510 20.9 173.3 -63.8 133.8 44.3 -27.4 7.8 70 516 A M E - 0 0 4 11,-2.6 2,-0.3 1,-0.4 12,-0.2 0.674 48.8 -49.2-118.9 -32.8 43.5 -25.5 11.0 71 517 A G E - E 0 81A 0 10,-1.5 10,-3.1 -66,-0.0 -1,-0.4 -0.961 40.5-117.2 172.3 174.7 46.8 -25.0 12.8 72 518 A Y E -aE 4 80A 48 -69,-1.8 -67,-2.6 -2,-0.3 2,-0.3 -0.870 13.6-159.8-131.5 164.0 50.1 -26.2 14.2 73 519 A S E + E 0 79A 6 6,-2.4 6,-2.5 -2,-0.3 -69,-0.0 -0.964 15.3 172.2-150.3 130.8 51.7 -26.5 17.7 74 520 A T + 0 0 54 -2,-0.3 -1,-0.1 4,-0.2 6,-0.0 0.834 52.6 96.2-104.2 -49.4 55.4 -26.8 18.6 75 521 A K S S- 0 0 50 4,-0.0 2,-0.2 3,-0.0 -1,-0.2 -0.785 100.2 -0.9 -88.1 128.4 55.3 -26.5 22.4 76 522 A P S S- 0 0 120 0, 0.0 2,-0.3 0, 0.0 -69,-0.0 -0.740 141.4 -3.8 -81.2 -54.0 55.3 -29.0 24.1 77 523 A Q S S- 0 0 74 -2,-0.2 2,-0.3 1,-0.0 -38,-0.1 -0.700 82.3 -99.3 -97.4 153.3 55.3 -31.6 21.3 78 524 A L + 0 0 16 -2,-0.3 -40,-2.0 -40,-0.2 2,-0.3 -0.540 54.3 163.9 -71.7 132.2 55.1 -30.9 17.6 79 525 A A E -DE 37 73A 2 -6,-2.5 -6,-2.4 -2,-0.3 2,-0.4 -0.998 30.7-150.2-154.6 148.3 51.6 -31.3 16.2 80 526 A I E -DE 36 72A 5 -44,-2.7 -44,-2.6 -2,-0.3 2,-0.4 -0.976 16.8-152.6-121.8 136.7 49.4 -30.5 13.2 81 527 A V E +DE 35 71A 0 -10,-3.1 -11,-2.6 -2,-0.4 -10,-1.5 -0.918 18.4 166.8-116.1 131.3 45.6 -30.0 13.5 82 528 A T E -DE 34 69A 18 -48,-2.3 -48,-3.1 -2,-0.4 -13,-0.2 -0.870 44.5 -75.7-131.0 168.5 43.0 -30.6 10.8 83 529 A Q E -D 33 0A 7 -15,-1.9 2,-0.7 -2,-0.3 -50,-0.2 -0.240 49.5-114.1 -57.7 151.8 39.3 -30.9 10.6 84 530 A W - 0 0 44 -52,-0.8 2,-0.5 -51,-0.1 -1,-0.1 -0.848 27.1-145.1 -94.4 117.1 37.8 -34.1 11.8 85 531 A C - 0 0 13 -2,-0.7 2,-0.4 53,-0.1 52,-0.1 -0.714 5.0-155.7 -84.5 123.4 36.2 -36.1 9.0 86 532 A E + 0 0 88 -2,-0.5 53,-3.6 2,-0.1 54,-0.4 -0.860 65.3 44.3 -91.4 133.5 33.1 -38.1 9.9 87 533 A G S S- 0 0 37 -2,-0.4 2,-0.3 51,-0.2 51,-0.1 -1.000 93.1 -67.9 136.5-142.8 32.7 -41.0 7.5 88 534 A S - 0 0 26 49,-0.4 49,-1.9 -2,-0.3 52,-0.1 -0.984 44.0 -97.0-148.1 152.7 35.2 -43.5 6.1 89 535 A S B > -G 136 0B 12 -2,-0.3 4,-1.9 47,-0.2 47,-0.3 -0.228 38.3-115.4 -60.6 159.4 38.2 -43.3 3.8 90 536 A L H > S+ 0 0 0 45,-3.2 4,-2.6 42,-0.9 43,-0.2 0.898 118.6 53.5 -69.0 -39.0 37.4 -44.3 0.2 91 537 A Y H >>S+ 0 0 80 41,-1.4 4,-3.0 44,-0.4 5,-0.7 0.940 107.2 52.1 -53.1 -50.1 39.7 -47.3 0.6 92 538 A H H >>S+ 0 0 66 1,-0.2 5,-2.6 40,-0.2 4,-1.3 0.891 111.2 47.5 -57.5 -41.3 37.8 -48.3 3.6 93 539 A H H <5S+ 0 0 10 -4,-1.9 6,-2.9 3,-0.2 -1,-0.2 0.948 119.8 35.9 -63.1 -51.0 34.5 -48.1 1.7 94 540 A L H <5S+ 0 0 9 -4,-2.6 -2,-0.2 4,-0.3 -1,-0.2 0.760 132.4 21.2 -78.5 -29.3 35.7 -50.1 -1.3 95 541 A H H <5S+ 0 0 33 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.652 126.6 35.1-120.0 -23.0 37.9 -52.7 0.2 96 542 A I T <> - 0 0 141 -2,-0.3 4,-1.6 1,-0.1 3,-0.7 -0.330 36.1-104.6 -70.1 160.0 25.4 -46.3 -7.5 103 549 A M H 3> S+ 0 0 13 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.876 118.5 55.2 -61.0 -45.8 27.2 -45.4 -10.7 104 550 A I H 3> S+ 0 0 70 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.860 109.4 51.3 -51.8 -36.7 26.3 -41.7 -10.8 105 551 A K H <> S+ 0 0 46 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.864 106.0 52.7 -71.2 -40.0 27.8 -41.4 -7.2 106 552 A L H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.904 109.6 49.5 -61.2 -42.7 31.1 -43.1 -8.2 107 553 A I H X S+ 0 0 7 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.882 108.9 52.9 -65.1 -39.9 31.5 -40.6 -11.0 108 554 A D H X S+ 0 0 50 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.966 105.8 53.0 -59.1 -52.5 30.8 -37.7 -8.6 109 555 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.3 -1,-0.2 0.886 111.4 47.4 -50.2 -43.0 33.5 -39.0 -6.3 110 556 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 -1,-0.3 0.907 107.4 56.2 -64.7 -42.6 35.9 -38.9 -9.2 111 557 A R H X S+ 0 0 62 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.874 112.7 41.7 -56.5 -40.9 34.7 -35.4 -10.2 112 558 A Q H X S+ 0 0 14 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.930 111.4 53.1 -74.0 -50.2 35.6 -34.1 -6.8 113 559 A T H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.929 114.5 44.3 -48.6 -49.0 38.9 -36.0 -6.4 114 560 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.907 109.8 57.3 -61.3 -42.2 39.8 -34.5 -9.8 115 561 A Q H X S+ 0 0 4 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.906 110.5 42.1 -55.4 -49.2 38.5 -31.1 -8.7 116 562 A G H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.839 113.7 52.0 -68.4 -37.0 40.8 -30.9 -5.7 117 563 A M H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.3 5,-0.3 0.935 105.5 54.3 -66.9 -46.6 43.8 -32.3 -7.6 118 564 A D H X S+ 0 0 21 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.940 108.6 52.4 -45.3 -50.0 43.4 -29.6 -10.3 119 565 A Y H X S+ 0 0 0 -4,-1.6 4,-1.2 -5,-0.2 -2,-0.2 0.948 110.0 45.9 -53.1 -55.2 43.5 -27.2 -7.4 120 566 A L H <>S+ 0 0 10 -4,-2.1 5,-2.2 1,-0.2 3,-0.3 0.878 113.1 48.7 -60.6 -42.7 46.8 -28.6 -6.0 121 567 A H H ><5S+ 0 0 16 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.869 108.2 54.0 -66.9 -38.4 48.5 -28.8 -9.4 122 568 A A H 3<5S+ 0 0 60 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.716 108.3 51.4 -67.4 -22.8 47.5 -25.2 -10.2 123 569 A K T 3<5S- 0 0 57 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.084 122.7-109.7 -94.7 21.8 49.1 -24.2 -6.9 124 570 A S T < 5S+ 0 0 100 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.886 73.8 138.6 51.0 45.8 52.4 -26.1 -7.9 125 571 A I < - 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