==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-JUL-09 3IDP . COMPND 2 MOLECULE: B-RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KIN . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.A.WHITTINGTON,L.F.EPSTEIN . 511 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 65.9 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 . 72 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 . 1 0.2 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 . 36 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 1 3 2 1 0 1 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 . 0 0 2 5 2 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 1 449 A D 0 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -65.8 3.5 43.7 28.1 2 450 A W + 0 0 7 2,-0.1 69,-2.4 68,-0.1 2,-0.5 0.325 360.0 118.9-104.2 6.4 3.8 39.9 28.0 3 451 A E B -a 71 0A 90 67,-0.2 69,-0.2 1,-0.0 3,-0.0 -0.623 63.3-135.4 -70.3 121.2 1.7 39.4 24.9 4 452 A I - 0 0 3 67,-3.1 69,-0.2 -2,-0.5 3,-0.1 -0.661 27.8-101.6 -81.3 131.4 3.9 37.8 22.3 5 453 A P > - 0 0 73 0, 0.0 3,-1.2 0, 0.0 4,-0.3 -0.204 53.0 -83.8 -54.1 143.5 3.6 39.3 18.8 6 454 A D T 3 S+ 0 0 109 1,-0.2 66,-0.0 2,-0.1 -3,-0.0 -0.151 104.9 5.1 -54.9 134.0 1.5 37.3 16.4 7 455 A G T 3 S+ 0 0 77 67,-0.6 -1,-0.2 -3,-0.1 -3,-0.0 0.626 91.4 112.4 73.5 18.6 3.1 34.3 14.6 8 456 A Q < + 0 0 82 -3,-1.2 2,-0.6 -4,-0.1 -2,-0.1 0.751 54.0 85.3 -90.6 -27.4 6.5 34.5 16.2 9 457 A I - 0 0 34 -4,-0.3 2,-0.8 19,-0.1 19,-0.2 -0.683 65.0-154.8 -85.5 117.3 6.3 31.2 18.1 10 458 A T E -B 27 0A 95 17,-2.2 17,-1.4 -2,-0.6 2,-0.2 -0.810 13.5-142.2 -93.8 105.3 7.3 28.1 16.1 11 459 A V E +B 26 0A 69 -2,-0.8 15,-0.2 15,-0.2 3,-0.1 -0.454 29.3 167.6 -67.6 132.3 5.6 25.0 17.5 12 460 A G E + 0 0 44 13,-1.9 14,-0.1 1,-0.3 -1,-0.1 0.173 43.1 2.3-115.8-127.6 7.8 21.9 17.4 13 461 A Q E S- 0 0 155 1,-0.1 12,-2.6 11,-0.1 2,-0.5 -0.364 71.5-113.2 -70.3 143.1 7.6 18.4 19.0 14 462 A R E -B 24 0A 151 10,-0.2 10,-0.3 1,-0.2 3,-0.1 -0.658 33.3-179.9 -77.9 122.5 4.6 17.4 21.1 15 463 A I E - 0 0 91 8,-2.9 2,-0.3 -2,-0.5 9,-0.2 0.842 57.9 -28.6 -94.3 -40.1 5.7 17.0 24.7 16 464 A G E -B 23 0A 24 7,-1.6 7,-3.3 2,-0.0 -1,-0.4 -0.979 50.6-157.0-169.7 161.6 2.4 16.1 26.4 17 465 A S E +B 22 0A 73 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.995 12.0 168.0-149.7 148.7 -1.3 16.4 26.4 18 466 A G E > -B 21 0A 26 3,-3.0 3,-0.7 -2,-0.3 132,-0.2 -0.724 56.1 -82.6-137.4-169.4 -4.2 16.2 28.8 19 467 A S T 3 S+ 0 0 92 1,-0.2 131,-0.2 -2,-0.2 3,-0.1 0.791 127.7 44.1 -67.1 -27.8 -7.9 17.1 28.8 20 468 A F T 3 S- 0 0 124 129,-1.9 -1,-0.2 1,-0.2 131,-0.2 -0.342 123.5 -19.7-120.9 49.6 -6.9 20.7 29.7 21 469 A G E < -B 18 0A 2 -3,-0.7 -3,-3.0 129,-0.1 2,-0.4 -0.473 50.5-122.2 134.0 159.0 -4.0 21.5 27.4 22 470 A T E -BC 17 36A 2 14,-1.3 14,-2.8 -5,-0.2 2,-0.4 -0.996 23.5-147.3-132.4 135.4 -1.2 20.3 25.1 23 471 A V E -BC 16 35A 27 -7,-3.3 -8,-2.9 -2,-0.4 -7,-1.6 -0.888 14.9-174.7-111.0 136.7 2.4 21.1 25.6 24 472 A Y E -BC 14 34A 39 10,-2.6 10,-2.6 -2,-0.4 2,-0.5 -0.939 30.5-124.0-124.4 145.6 5.0 21.6 22.9 25 473 A K E + C 0 33A 66 -12,-2.6 -13,-1.9 -2,-0.3 8,-0.2 -0.778 52.9 169.3 -74.9 132.1 8.7 22.1 22.7 26 474 A G E -BC 11 32A 4 6,-2.7 6,-1.4 -2,-0.5 2,-0.4 -0.682 34.6-109.8-135.0-173.7 8.9 25.4 20.6 27 475 A K E +BC 10 31A 74 -17,-1.4 -17,-2.2 4,-0.2 4,-0.2 -0.978 42.6 138.7-130.8 121.4 11.1 28.2 19.4 28 476 A W S S- 0 0 11 2,-2.6 -19,-0.1 -2,-0.4 -2,-0.1 -0.631 94.3 -27.7-156.0 96.0 10.9 31.8 20.4 29 477 A H S S- 0 0 24 -2,-0.2 2,-0.2 291,-0.0 347,-0.1 0.921 136.1 -27.9 57.5 47.2 14.4 33.4 20.9 30 478 A G S S- 0 0 5 2,-0.0 -2,-2.6 52,-0.0 2,-0.2 -0.651 116.1 -16.5 111.3-170.2 15.7 29.9 21.7 31 479 A D E +C 27 0A 60 -2,-0.2 52,-0.9 -4,-0.2 2,-0.3 -0.490 67.4 166.6 -70.0 133.5 14.0 26.9 23.2 32 480 A V E -CD 26 82A 0 -6,-1.4 -6,-2.7 50,-0.2 2,-0.4 -0.913 34.7-123.1-135.9 164.8 10.7 27.5 25.0 33 481 A A E -CD 25 81A 12 48,-3.4 48,-2.5 -2,-0.3 2,-0.5 -0.927 25.9-160.6-103.7 139.5 7.9 25.4 26.2 34 482 A V E -CD 24 80A 2 -10,-2.6 -10,-2.6 -2,-0.4 2,-0.6 -0.984 6.1-163.3-123.1 120.9 4.5 26.3 24.8 35 483 A K E +CD 23 79A 44 44,-3.4 44,-3.0 -2,-0.5 -12,-0.2 -0.920 24.1 173.0-102.9 126.8 1.2 25.3 26.6 36 484 A M E -CD 22 78A 24 -14,-2.8 -14,-1.3 -2,-0.6 2,-0.6 -0.581 38.5-106.6-124.6 178.0 -1.7 25.6 24.2 37 485 A L - 0 0 23 40,-0.7 40,-0.2 -16,-0.2 -17,-0.0 -0.915 29.7-137.8-114.7 104.3 -5.4 24.8 24.0 38 486 A N S S+ 0 0 76 -2,-0.6 2,-0.2 38,-0.1 -1,-0.1 0.646 80.4 18.6 -24.4 -49.6 -6.0 21.8 21.6 39 487 A V S S- 0 0 104 -3,-0.1 2,-0.3 2,-0.0 -2,-0.0 -0.764 82.6 -99.0-124.3 163.3 -9.0 23.4 19.8 40 488 A T S S+ 0 0 74 -2,-0.2 36,-0.0 1,-0.1 3,-0.0 -0.915 81.9 49.5-123.8 161.6 -10.7 26.8 19.3 41 489 A A S S- 0 0 90 -2,-0.3 2,-0.2 1,-0.0 -1,-0.1 0.577 77.1-137.6 -86.1 153.0 -12.8 28.6 20.1 42 490 A P - 0 0 41 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.479 15.0-122.0 -71.9 140.8 -12.2 28.5 23.9 43 491 A T > - 0 0 69 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.307 33.2-103.2 -67.7 160.5 -15.2 28.4 26.3 44 492 A P H > S+ 0 0 109 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.779 125.5 57.4 -57.2 -22.8 -15.6 31.2 28.8 45 493 A Q H > S+ 0 0 154 2,-0.2 4,-2.5 1,-0.1 3,-0.4 0.975 106.7 42.7 -67.7 -60.0 -14.2 28.6 31.2 46 494 A Q H > S+ 0 0 67 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.863 113.1 54.9 -55.8 -40.3 -11.0 27.8 29.4 47 495 A L H X S+ 0 0 61 -4,-2.3 4,-1.9 2,-0.2 -1,-0.3 0.847 109.5 47.4 -61.1 -38.3 -10.5 31.6 28.8 48 496 A Q H X S+ 0 0 104 -4,-1.2 4,-2.4 -3,-0.4 -2,-0.2 0.911 110.1 50.7 -70.5 -44.3 -10.8 32.1 32.6 49 497 A A H X S+ 0 0 57 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.878 111.9 49.8 -61.0 -38.4 -8.3 29.3 33.4 50 498 A F H X S+ 0 0 21 -4,-2.3 4,-2.1 -5,-0.2 5,-0.3 0.921 111.7 47.1 -62.5 -46.6 -5.9 30.9 30.9 51 499 A K H X S+ 0 0 112 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.844 112.6 51.1 -67.6 -31.7 -6.4 34.4 32.5 52 500 A N H X S+ 0 0 98 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.944 111.6 43.8 -70.8 -50.3 -5.9 32.9 36.0 53 501 A E H X S+ 0 0 65 -4,-2.3 4,-3.1 2,-0.2 3,-0.4 0.966 117.4 45.3 -60.3 -55.1 -2.7 31.1 35.3 54 502 A V H X S+ 0 0 9 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.912 110.4 57.5 -51.0 -44.1 -1.2 34.0 33.3 55 503 A G H < S+ 0 0 30 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.877 113.1 39.0 -53.2 -41.4 -2.5 36.2 36.2 56 504 A V H >< S+ 0 0 63 -4,-2.0 3,-1.2 -3,-0.4 -2,-0.2 0.884 114.7 51.8 -77.3 -42.5 -0.4 34.1 38.6 57 505 A L H >< S+ 0 0 26 -4,-3.1 3,-2.2 1,-0.3 11,-0.3 0.870 98.2 63.6 -67.4 -36.9 2.7 33.6 36.5 58 506 A R T 3< S+ 0 0 81 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.1 0.630 100.1 57.2 -64.0 -11.2 3.2 37.3 35.6 59 507 A K T < S+ 0 0 106 -3,-1.2 2,-0.5 -5,-0.2 -1,-0.3 0.493 90.6 89.5 -94.8 -5.0 3.8 37.8 39.4 60 508 A T < + 0 0 4 -3,-2.2 8,-0.4 -4,-0.2 2,-0.2 -0.841 33.2 152.1-106.2 121.6 6.7 35.3 39.6 61 509 A R + 0 0 0 -2,-0.5 2,-0.3 266,-0.1 5,-0.1 -0.651 34.6 118.5-142.8 81.2 10.4 36.2 39.1 62 510 A H > - 0 0 9 3,-0.3 3,-2.0 -2,-0.2 264,-0.0 -0.994 67.1-121.9-150.0 143.0 12.5 33.8 41.1 63 511 A V T 3 S+ 0 0 44 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.643 110.2 54.7 -62.8 -17.5 15.1 31.2 40.2 64 512 A N T 3 S+ 0 0 6 79,-0.1 80,-2.4 2,-0.1 2,-0.4 0.261 96.0 76.0-103.4 11.4 13.2 28.4 41.7 65 513 A I B < S-f 144 0B 11 -3,-2.0 -3,-0.3 78,-0.3 80,-0.2 -0.992 97.5-100.1-122.4 127.6 10.0 29.0 39.8 66 514 A L - 0 0 22 78,-1.7 2,-0.5 -2,-0.4 -2,-0.1 -0.171 48.3-108.3 -45.0 126.8 9.7 28.0 36.2 67 515 A L - 0 0 15 -4,-0.1 15,-2.3 -6,-0.1 2,-0.3 -0.504 26.9-150.4 -70.8 115.4 10.3 31.2 34.2 68 516 A F E + E 0 81A 0 -2,-0.5 13,-0.2 -8,-0.4 3,-0.1 -0.690 17.9 177.3 -76.0 138.6 7.1 32.5 32.5 69 517 A M E - 0 0 6 11,-2.9 2,-0.3 1,-0.4 12,-0.2 0.676 48.1 -56.6-117.5 -34.0 8.0 34.3 29.3 70 518 A G E - E 0 80A 0 10,-1.6 10,-3.4 -66,-0.0 -1,-0.4 -0.962 40.7-115.0 169.1 176.5 4.7 35.4 27.7 71 519 A Y E -aE 3 79A 47 -69,-2.4 -67,-3.1 -2,-0.3 2,-0.3 -0.925 13.3-159.7-135.0 161.8 1.3 34.5 26.3 72 520 A S E - E 0 78A 8 6,-1.8 6,-2.8 -2,-0.3 -2,-0.0 -0.960 13.7-176.4-135.5 152.2 -0.5 34.6 23.0 73 521 A T + 0 0 46 -2,-0.3 4,-0.1 4,-0.2 -1,-0.1 0.483 55.4 107.0-119.1 -13.9 -4.2 34.6 22.1 74 522 A K S S- 0 0 118 1,-0.2 -67,-0.6 4,-0.1 -1,-0.2 -0.974 96.0 -3.0-122.4 123.0 -3.8 34.5 18.3 75 523 A P S S- 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.987 143.6 -13.1 -84.7 -13.1 -4.3 32.1 16.6 76 524 A Q S S- 0 0 54 -35,-0.1 2,-0.3 -36,-0.0 -36,-0.1 -0.907 83.0 -77.1-140.7 168.7 -5.0 30.2 19.9 77 525 A L + 0 0 10 -2,-0.3 -40,-0.7 -40,-0.2 2,-0.3 -0.535 58.9 171.6 -69.7 126.8 -4.6 30.6 23.7 78 526 A A E -DE 36 72A 5 -6,-2.8 -6,-1.8 -2,-0.3 2,-0.5 -0.997 29.0-159.4-144.8 143.3 -1.0 29.9 24.6 79 527 A I E -DE 35 71A 10 -44,-3.0 -44,-3.4 -2,-0.3 2,-0.5 -0.985 16.8-159.0-122.4 125.3 1.4 30.2 27.6 80 528 A V E +DE 34 70A 0 -10,-3.4 -11,-2.9 -2,-0.5 -10,-1.6 -0.885 15.8 167.6-110.1 129.1 5.1 30.2 27.0 81 529 A T E -DE 33 68A 19 -48,-2.5 -48,-3.4 -2,-0.5 -13,-0.2 -0.875 44.8 -78.4-126.7 165.6 7.8 29.3 29.5 82 530 A Q E -D 32 0A 10 -15,-2.3 2,-0.6 -2,-0.3 -50,-0.2 -0.177 49.1-115.8 -49.7 151.1 11.5 28.6 29.4 83 531 A W - 0 0 60 -52,-0.9 2,-0.5 -51,-0.1 -52,-0.1 -0.886 31.1-155.9 -92.8 126.0 12.4 25.2 28.2 84 532 A C - 0 0 12 -2,-0.6 2,-0.3 2,-0.1 52,-0.1 -0.894 4.7-148.6-107.1 130.8 14.1 23.1 30.9 85 533 A E + 0 0 100 -2,-0.5 53,-2.8 2,-0.0 54,-0.3 -0.677 64.0 43.5 -86.9 147.6 16.4 20.2 30.2 86 534 A G E S-G 137 0B 37 -2,-0.3 2,-0.3 51,-0.2 51,-0.2 -0.876 82.9 -83.9 120.7-153.3 16.4 17.4 32.8 87 535 A S E -G 136 0B 26 49,-0.9 49,-2.3 -2,-0.3 52,-0.1 -0.967 37.7 -83.2-153.0 168.3 13.6 15.7 34.6 88 536 A S E > -G 135 0B 13 -2,-0.3 4,-2.0 47,-0.3 47,-0.3 -0.218 36.4-114.1 -71.1 160.1 11.2 15.9 37.6 89 537 A L H > S+ 0 0 0 45,-3.4 4,-2.2 42,-0.8 5,-0.3 0.887 118.4 56.4 -56.1 -43.6 12.0 14.8 41.2 90 538 A Y H > S+ 0 0 72 41,-1.8 4,-2.4 44,-0.3 5,-0.5 0.923 106.2 50.3 -54.7 -46.9 9.4 12.1 40.9 91 539 A H H >>S+ 0 0 66 40,-0.2 5,-2.5 1,-0.2 4,-1.3 0.923 112.1 47.2 -58.6 -47.5 11.1 10.7 37.8 92 540 A H H <5S+ 0 0 7 -4,-2.0 6,-3.7 3,-0.2 -1,-0.2 0.864 120.5 35.1 -62.1 -41.9 14.5 10.6 39.6 93 541 A L H <5S+ 0 0 8 -4,-2.2 -2,-0.2 4,-0.3 -1,-0.2 0.869 129.8 23.9 -85.5 -39.7 13.3 9.0 42.8 94 542 A H H <5S+ 0 0 38 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.448 129.8 31.8-113.3 -6.8 10.6 6.5 41.8 95 543 A I T <5S+ 0 0 88 -4,-1.3 -3,-0.2 -5,-0.5 -4,-0.1 0.742 133.6 16.6-119.7 -52.0 11.3 5.8 38.1 96 544 A I S > - 0 0 146 -2,-0.2 4,-1.8 1,-0.1 3,-0.6 -0.422 34.6-108.7 -66.2 154.8 24.2 12.1 48.2 102 550 A M H 3> S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.869 117.3 59.3 -55.1 -44.3 22.6 13.5 51.4 103 551 A I H 3> S+ 0 0 141 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.850 109.1 44.9 -57.1 -37.4 24.0 17.0 50.8 104 552 A K H <> S+ 0 0 42 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.836 107.6 57.6 -75.4 -34.2 22.2 17.2 47.5 105 553 A L H X S+ 0 0 3 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.902 109.9 45.5 -60.8 -40.4 19.0 15.8 49.0 106 554 A I H X S+ 0 0 19 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.837 109.5 55.7 -68.6 -35.8 19.0 18.7 51.5 107 555 A D H X S+ 0 0 50 -4,-1.3 4,-2.5 -5,-0.2 -2,-0.2 0.910 108.2 47.6 -64.1 -42.7 19.8 21.1 48.7 108 556 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.950 111.5 50.9 -60.5 -51.8 16.7 20.0 46.8 109 557 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.918 112.3 47.4 -49.2 -48.9 14.7 20.3 49.9 110 558 A R H X S+ 0 0 66 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.932 110.5 49.0 -61.8 -49.7 16.0 23.9 50.5 111 559 A Q H X S+ 0 0 14 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.827 111.2 52.0 -63.9 -32.8 15.4 25.1 46.9 112 560 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.955 110.2 47.5 -64.3 -49.1 11.9 23.7 47.1 113 561 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.822 109.0 56.5 -61.5 -33.3 11.3 25.6 50.3 114 562 A Q H X S+ 0 0 5 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.942 110.2 43.2 -57.7 -51.5 12.8 28.7 48.6 115 563 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.881 114.8 50.0 -65.1 -40.1 10.2 28.5 45.8 116 564 A M H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.922 110.4 48.4 -66.3 -45.5 7.4 27.8 48.2 117 565 A D H X S+ 0 0 23 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.903 111.9 51.6 -60.0 -41.5 8.3 30.7 50.5 118 566 A Y H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.935 110.5 47.7 -59.3 -48.8 8.5 32.9 47.4 119 567 A L H <>S+ 0 0 11 -4,-2.5 5,-2.9 1,-0.2 -1,-0.2 0.837 112.7 48.4 -62.8 -35.8 5.0 31.8 46.3 120 568 A H H ><5S+ 0 0 15 -4,-2.2 3,-2.3 3,-0.2 -1,-0.2 0.869 101.6 62.5 -75.9 -35.4 3.5 32.3 49.7 121 569 A A H 3<5S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.857 107.2 45.7 -55.3 -36.3 4.9 35.7 50.1 122 570 A K T 3<5S- 0 0 51 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.211 122.2-109.6 -90.2 12.3 2.9 36.7 47.0 123 571 A S T < 5S+ 0 0 96 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.819 70.6 144.2 63.8 32.4 -0.2 34.9 48.4 124 572 A I < - 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0 0 43 -2,-0.2 3,-0.5 -3,-0.1 2,-0.1 -0.633 47.8-105.8 -87.4 149.4 41.7 40.8 22.6 450 655 B P T 3 S+ 0 0 3 0, 0.0 -1,-0.1 0, 0.0 -37,-0.0 -0.393 95.2 20.1 -75.3 154.7 42.1 42.7 19.3 451 656 B Y T > + 0 0 17 19,-0.1 3,-1.4 1,-0.1 9,-0.1 0.841 68.7 153.7 63.7 38.4 45.0 45.2 18.6 452 657 B S T < + 0 0 86 -3,-0.5 -1,-0.1 1,-0.3 -3,-0.0 0.629 67.2 62.6 -72.6 -15.8 47.2 43.8 21.3 453 658 B N T 3 S+ 0 0 145 2,-0.0 2,-0.5 1,-0.0 -1,-0.3 0.227 90.2 78.1 -94.8 12.1 50.3 45.0 19.4 454 659 B I < - 0 0 49 -3,-1.4 6,-0.0 1,-0.1 -1,-0.0 -0.988 54.7-176.6-118.7 121.8 49.2 48.7 19.7 455 660 B N + 0 0 163 -2,-0.5 2,-0.6 1,-0.0 -1,-0.1 0.373 57.3 89.4 -99.1 4.3 49.8 50.3 23.0 456 661 B N > - 0 0 71 1,-0.1 4,-1.8 2,-0.0 5,-0.1 -0.905 54.9-164.0-111.7 114.8 48.2 53.7 22.3 457 662 B R H > S+ 0 0 125 -2,-0.6 4,-2.4 2,-0.2 5,-0.2 0.889 91.5 49.9 -61.1 -45.4 44.5 54.2 23.1 458 663 B D H > S+ 0 0 121 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.902 109.4 54.6 -60.3 -40.6 44.0 57.4 21.0 459 664 B Q H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.891 108.5 46.6 -62.2 -43.7 45.7 55.6 18.1 460 665 B I H X S+ 0 0 12 -4,-1.8 4,-2.9 2,-0.2 5,-0.4 0.957 113.2 49.9 -61.2 -52.3 43.3 52.7 18.2 461 666 B I H X S+ 0 0 36 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.902 114.2 45.3 -48.2 -48.3 40.3 55.1 18.5 462 667 B F H X S+ 0 0 90 -4,-2.6 4,-1.5 1,-0.2 6,-0.2 0.876 117.0 43.3 -69.7 -37.2 41.5 57.1 15.5 463 668 B M H <>S+ 0 0 52 -4,-2.1 6,-1.9 2,-0.2 5,-1.6 0.861 113.4 46.6 -84.7 -38.6 42.3 54.1 13.3 464 669 B V H ><5S+ 0 0 4 -4,-2.9 3,-1.2 4,-0.2 -2,-0.2 0.937 113.5 54.1 -63.6 -46.0 39.3 51.9 13.9 465 670 B G H 3<5S+ 0 0 9 -4,-1.7 -2,-0.2 -5,-0.4 -1,-0.2 0.829 110.5 42.9 -55.4 -40.6 37.2 55.1 13.4 466 671 B R T 3<5S- 0 0 130 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.480 113.9-115.8 -87.5 -1.8 38.7 55.9 10.0 467 672 B G T < 5S+ 0 0 24 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.568 85.6 118.5 80.8 8.8 38.6 52.3 8.9 468 673 B Y S - 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0 0 80 -3,-0.9 6,-0.2 -4,-0.2 -3,-0.1 -0.228 53.1-138.3 -57.3 135.8 31.6 45.0 8.3 494 699 B K S S+ 0 0 107 -78,-0.1 2,-0.7 4,-0.1 -76,-0.2 0.809 86.9 82.1 -70.1 -31.0 32.4 48.7 8.3 495 700 B K S >> S- 0 0 136 1,-0.2 3,-1.1 -78,-0.0 4,-0.7 -0.706 78.5-144.8 -76.5 114.9 29.1 49.5 6.5 496 701 B R G >4 S+ 0 0 97 -2,-0.7 3,-1.3 1,-0.2 -1,-0.2 0.887 94.0 46.2 -39.4 -58.9 26.4 49.6 9.2 497 702 B D G 34 S+ 0 0 115 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.559 99.2 67.3 -76.1 -12.2 23.6 48.1 7.1 498 703 B E G <4 S+ 0 0 104 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.700 81.4 100.4 -73.8 -20.6 25.7 45.2 5.6 499 704 B R S << S- 0 0 6 -3,-1.3 -8,-0.2 -4,-0.7 -65,-0.1 -0.468 80.5-115.5 -73.5 130.9 25.8 43.7 9.1 500 705 B P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.257 25.8-124.1 -61.6 151.0 23.4 40.9 9.8 501 706 B L > - 0 0 75 1,-0.0 4,-2.2 -67,-0.0 3,-0.3 -0.502 33.2 -95.7 -89.7 167.8 20.7 41.3 12.4 502 707 B F H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.779 120.1 56.3 -62.2 -33.0 20.3 39.0 15.3 503 708 B P H > S+ 0 0 81 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.946 112.5 45.3 -62.6 -41.9 17.6 36.6 13.9 504 709 B Q H > S+ 0 0 122 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.935 112.7 50.0 -57.4 -52.0 20.0 36.0 10.9 505 710 B I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.949 112.1 47.3 -52.9 -55.3 23.0 35.5 13.2 506 711 B L H X S+ 0 0 11 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.919 111.1 51.4 -52.4 -50.8 21.2 33.0 15.4 507 712 B A H X S+ 0 0 58 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.930 111.6 48.1 -53.0 -49.2 19.9 31.1 12.4 508 713 B S H X S+ 0 0 44 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.854 113.0 47.0 -59.0 -41.8 23.5 30.9 11.0 509 714 B I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.919 111.8 49.7 -70.3 -43.9 25.0 29.7 14.3 510 715 B E H < S+ 0 0 43 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.705 108.2 57.6 -65.4 -22.3 22.2 27.1 14.8 511 716 B L H >< S+ 0 0 117 -4,-1.3 3,-1.3 -5,-0.2 4,-0.3 0.977 113.2 34.5 -69.9 -59.5 22.9 25.9 11.2 512 717 B L H >< S+ 0 0 23 -4,-1.8 3,-1.8 1,-0.3 -2,-0.2 0.796 100.1 81.2 -66.3 -29.7 26.6 25.1 11.7 513 718 B A T 3< S+ 0 0 49 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.604 86.1 62.9 -51.7 -12.2 26.0 24.0 15.3 514 719 B R T < 0 0 194 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.2 0.832 360.0 360.0 -83.1 -36.5 24.9 20.7 13.6 515 720 B S < 0 0 149 -3,-1.8 -2,-0.2 -4,-0.3 -3,-0.1 0.962 360.0 360.0 -80.3 360.0 28.3 19.9 12.1