==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JAN-09 3FZS . COMPND 2 MOLECULE: PROTEIN TYROSINE KINASE 2 BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HAN . 254 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 15.0 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 14 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 0 0 1 0 1 1 1 0 0 0 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 420 A I 0 0 83 0, 0.0 2,-0.3 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 126.8 -17.2 -16.8 11.7 2 421 A A > - 0 0 41 1,-0.1 3,-1.8 72,-0.1 4,-0.2 -0.646 360.0-132.0 -86.3 138.4 -17.1 -19.9 13.9 3 422 A R G > S+ 0 0 65 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.828 106.3 63.6 -58.4 -33.0 -14.2 -20.4 16.3 4 423 A E G 3 S+ 0 0 171 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.702 94.1 63.6 -65.0 -18.1 -13.7 -23.9 15.1 5 424 A D G < S+ 0 0 56 -3,-1.8 21,-2.7 1,-0.1 2,-0.5 0.509 93.9 73.1 -82.0 -5.9 -12.8 -22.5 11.7 6 425 A V E < -A 25 0A 12 -3,-1.8 2,-0.5 19,-0.2 19,-0.2 -0.951 60.6-171.4-117.4 119.3 -9.8 -20.7 13.1 7 426 A V E -A 24 0A 85 17,-2.8 17,-2.6 -2,-0.5 2,-0.2 -0.943 16.8-142.3-108.6 119.4 -6.6 -22.6 14.1 8 427 A L E +A 23 0A 58 -2,-0.5 15,-0.3 15,-0.3 3,-0.1 -0.596 20.0 177.9 -81.0 142.3 -3.9 -20.6 16.0 9 428 A N E - 0 0 67 13,-3.3 2,-0.3 1,-0.4 14,-0.2 0.771 55.8 -23.7-111.5 -41.7 -0.3 -21.4 15.2 10 429 A R E -A 22 0A 142 12,-1.2 12,-3.2 0, 0.0 2,-0.4 -0.974 67.1 -83.9-169.9 160.5 2.0 -19.1 17.2 11 430 A I E -A 21 0A 89 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.677 30.3-175.6 -80.1 127.3 2.2 -15.8 19.1 12 431 A L E - 0 0 88 8,-3.3 2,-0.3 -2,-0.4 9,-0.2 0.784 61.5 -46.8 -89.7 -34.1 3.0 -12.8 16.9 13 432 A G E -A 20 0A 24 7,-1.5 7,-3.2 5,-0.0 2,-0.8 -0.964 59.9 -79.8 177.7 173.4 3.4 -10.2 19.6 14 433 A E E -A 19 0A 148 -2,-0.3 5,-0.3 5,-0.2 7,-0.0 -0.861 47.7-158.0 -97.2 104.9 1.9 -8.7 22.8 15 434 A G - 0 0 28 3,-1.6 5,-0.1 -2,-0.8 135,-0.0 -0.002 34.3 -93.4 -69.1-177.8 -1.0 -6.4 21.7 16 435 A F S S+ 0 0 180 1,-0.2 3,-0.1 3,-0.0 -1,-0.1 0.820 124.4 23.6 -71.5 -31.0 -2.3 -3.5 23.9 17 436 A F S S- 0 0 30 1,-0.4 24,-3.5 22,-0.3 2,-0.3 0.538 135.9 -31.9-110.1 -11.2 -5.1 -5.6 25.5 18 437 A G S S- 0 0 14 22,-0.3 -3,-1.6 23,-0.1 -1,-0.4 -0.958 84.3 -45.0 169.9 175.6 -3.6 -9.1 25.0 19 438 A E E -A 14 0A 73 -2,-0.3 20,-1.6 -5,-0.3 2,-0.5 -0.204 43.0-137.0 -66.0 155.2 -1.5 -11.3 22.7 20 439 A V E -AB 13 38A 25 -7,-3.2 -8,-3.3 18,-0.2 -7,-1.5 -0.979 23.6-161.5-111.7 126.0 -1.8 -11.4 19.0 21 440 A Y E -AB 11 37A 61 16,-2.7 16,-3.1 -2,-0.5 2,-0.4 -0.791 16.7-130.7-107.3 149.2 -1.7 -14.8 17.4 22 441 A E E +AB 10 36A 38 -12,-3.2 -13,-3.3 -2,-0.3 -12,-1.2 -0.795 42.8 160.0 -88.2 142.9 -1.0 -16.0 13.9 23 442 A G E -AB 8 35A 0 12,-2.6 12,-2.6 -2,-0.4 2,-0.5 -0.898 39.9-114.7-149.7 178.4 -3.6 -18.4 12.7 24 443 A V E -AB 7 34A 27 -17,-2.6 -17,-2.8 -2,-0.3 2,-0.6 -0.995 21.1-159.6-124.8 123.8 -5.3 -20.1 9.7 25 444 A Y E -AB 6 33A 26 8,-2.9 8,-2.9 -2,-0.5 2,-0.7 -0.919 5.2-156.6-100.9 121.8 -8.9 -19.5 9.0 26 445 A T E - B 0 32A 31 -21,-2.7 6,-0.2 -2,-0.6 -2,-0.0 -0.896 16.3-155.7 -98.6 111.0 -10.5 -22.1 6.8 27 446 A N > - 0 0 23 4,-1.8 3,-2.4 -2,-0.7 0, 0.0 -0.178 37.1 -85.8 -77.9 178.9 -13.5 -20.6 5.1 28 447 A H T 3 S+ 0 0 184 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.671 128.2 59.1 -61.0 -19.3 -16.6 -22.4 3.8 29 448 A K T 3 S- 0 0 165 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.485 114.3-116.6 -89.1 -5.2 -14.7 -23.1 0.5 30 449 A G < + 0 0 45 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.408 69.2 138.7 84.6 -1.3 -12.0 -24.9 2.3 31 450 A E - 0 0 99 1,-0.1 -4,-1.8 -5,-0.0 2,-0.6 -0.571 52.5-125.9 -79.8 140.6 -9.3 -22.4 1.3 32 451 A K E -B 26 0A 144 -2,-0.2 2,-0.5 -6,-0.2 -6,-0.2 -0.769 23.2-167.7 -98.7 120.4 -6.8 -21.5 4.0 33 452 A I E -B 25 0A 28 -8,-2.9 -8,-2.9 -2,-0.6 2,-0.2 -0.917 21.5-127.2-110.7 125.0 -6.4 -17.8 4.8 34 453 A N E -B 24 0A 51 -2,-0.5 51,-2.6 51,-0.3 2,-0.3 -0.538 39.1-177.4 -66.0 133.4 -3.5 -16.6 7.0 35 454 A V E -BC 23 84A 0 -12,-2.6 -12,-2.6 49,-0.2 2,-0.5 -0.960 31.8-138.9-136.0 153.8 -4.8 -14.4 9.8 36 455 A A E -BC 22 83A 12 47,-2.4 47,-3.4 -2,-0.3 2,-0.6 -0.958 24.7-157.6-105.2 132.0 -3.8 -12.3 12.8 37 456 A V E -BC 21 82A 0 -16,-3.1 -16,-2.7 -2,-0.5 2,-0.4 -0.947 1.5-156.0-117.8 112.4 -6.0 -12.9 15.8 38 457 A K E -BC 20 81A 51 43,-2.9 43,-2.0 -2,-0.6 2,-0.3 -0.720 12.8-168.9 -89.5 137.0 -6.2 -10.2 18.5 39 458 A T E - C 0 80A 22 -20,-1.6 2,-0.4 -2,-0.4 -22,-0.3 -0.800 12.4-140.4-122.3 166.1 -7.2 -11.1 22.0 40 459 A C - 0 0 25 39,-0.5 -22,-0.3 -2,-0.3 39,-0.1 -0.990 27.9-108.6-131.5 130.0 -8.2 -9.2 25.1 41 460 A K > - 0 0 120 -24,-3.5 3,-1.2 -2,-0.4 -23,-0.1 -0.298 27.3-133.0 -55.8 136.1 -7.2 -10.0 28.7 42 461 A K T 3 S+ 0 0 162 1,-0.3 -1,-0.1 36,-0.0 7,-0.1 0.873 100.0 57.6 -63.2 -37.3 -10.2 -11.3 30.6 43 462 A D T 3 S+ 0 0 138 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.156 80.0 125.7 -85.7 22.1 -9.7 -9.1 33.7 44 463 A C < - 0 0 30 -3,-1.2 2,-0.0 1,-0.1 -27,-0.0 -0.299 67.2 -95.6 -76.1 162.8 -9.8 -5.8 31.7 45 464 A T > - 0 0 77 1,-0.1 4,-2.5 -2,-0.0 5,-0.2 -0.326 32.2-111.1 -72.3 160.2 -12.1 -2.9 32.6 46 465 A L H > S+ 0 0 154 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.890 120.5 53.8 -58.4 -39.4 -15.4 -2.5 30.7 47 466 A D H > S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.892 109.3 47.7 -63.8 -41.0 -14.0 0.7 29.1 48 467 A N H > S+ 0 0 56 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.894 109.6 51.9 -69.5 -38.5 -10.9 -1.3 27.8 49 468 A K H X S+ 0 0 67 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.933 110.4 50.2 -58.0 -44.8 -13.1 -4.1 26.5 50 469 A E H X S+ 0 0 137 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.915 111.1 48.0 -61.5 -44.0 -15.1 -1.5 24.6 51 470 A K H X S+ 0 0 134 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.927 111.0 51.2 -60.2 -47.7 -11.9 0.1 23.2 52 471 A F H >X S+ 0 0 5 -4,-3.0 3,-1.0 1,-0.2 4,-0.5 0.947 112.6 46.4 -52.2 -51.0 -10.7 -3.4 22.2 53 472 A M H >X S+ 0 0 33 -4,-2.8 4,-1.9 1,-0.2 3,-0.9 0.780 97.2 73.1 -62.6 -30.8 -14.0 -4.1 20.4 54 473 A S H 3X S+ 0 0 36 -4,-1.7 4,-3.1 1,-0.3 5,-0.2 0.786 87.0 62.7 -62.3 -30.2 -14.0 -0.7 18.7 55 474 A E H < S+ 0 0 101 -4,-3.1 3,-2.1 1,-0.2 4,-0.2 0.960 113.9 51.1 -65.6 -55.3 -14.4 0.5 12.9 59 478 A M H >< S+ 0 0 25 -4,-3.0 3,-1.6 1,-0.3 11,-0.5 0.714 94.1 72.7 -66.9 -22.5 -12.4 -1.8 10.6 60 479 A K T 3< S+ 0 0 154 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.773 96.7 54.7 -55.1 -27.9 -15.6 -3.6 9.4 61 480 A N T < S+ 0 0 118 -3,-2.1 2,-0.5 -4,-0.3 -1,-0.3 0.522 87.0 93.9 -87.0 -8.7 -16.2 -0.3 7.5 62 481 A L < + 0 0 31 -3,-1.6 8,-0.4 -4,-0.2 5,-0.0 -0.784 31.9 151.6 -93.8 123.5 -12.8 -0.3 5.7 63 482 A D + 0 0 145 -2,-0.5 -1,-0.1 6,-0.1 6,-0.1 0.028 22.9 140.3-135.7 26.8 -12.8 -1.8 2.2 64 483 A H > - 0 0 41 4,-0.2 3,-1.8 1,-0.1 53,-0.0 -0.500 57.6-127.3 -74.7 138.6 -10.0 0.2 0.5 65 484 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.718 109.3 41.8 -60.1 -19.9 -7.7 -1.9 -1.8 66 485 A H T 3 S+ 0 0 23 47,-0.1 80,-2.9 79,-0.1 2,-0.4 -0.003 99.6 83.7-121.1 29.5 -4.6 -0.6 0.1 67 486 A I B < S-e 146 0B 10 -3,-1.8 80,-0.2 78,-0.3 69,-0.0 -0.965 87.7 -99.1-123.8 143.7 -5.9 -0.8 3.6 68 487 A V - 0 0 10 78,-2.4 2,-0.4 -2,-0.4 -4,-0.2 -0.099 41.1-123.4 -57.3 163.0 -5.7 -4.0 5.7 69 488 A K - 0 0 79 15,-0.4 15,-3.0 -6,-0.1 2,-0.5 -0.928 3.2-137.7-125.0 132.9 -8.9 -6.1 6.0 70 489 A L E -D 83 0A 25 -11,-0.5 13,-0.2 -2,-0.4 3,-0.1 -0.752 13.6-173.0 -81.5 127.0 -11.0 -7.4 8.9 71 490 A I E - 0 0 37 11,-2.6 2,-0.3 -2,-0.5 12,-0.2 0.871 57.3 -60.2 -84.0 -46.1 -12.1 -11.0 8.4 72 491 A G E -D 82 0A 11 10,-1.9 10,-3.3 2,-0.0 2,-0.4 -0.993 38.0-110.6 178.7 178.9 -14.4 -11.2 11.4 73 492 A I E -D 81 0A 50 -2,-0.3 2,-0.6 8,-0.2 8,-0.2 -0.988 8.8-156.3-130.6 137.7 -15.1 -10.9 15.1 74 493 A I E -D 80 0A 15 6,-2.7 6,-2.0 -2,-0.4 -72,-0.1 -0.961 15.1-175.0-108.4 106.9 -16.0 -13.7 17.5 75 494 A E + 0 0 141 -2,-0.6 4,-0.2 4,-0.2 -1,-0.1 0.839 52.5 95.3 -75.1 -34.4 -17.8 -11.7 20.2 76 495 A E S S- 0 0 157 2,-0.1 4,-0.2 1,-0.1 -2,-0.1 -0.280 93.9 -55.6 -57.6 138.3 -18.3 -14.7 22.6 77 496 A E S S+ 0 0 82 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.374 132.7 44.9 -60.1 131.2 -15.6 -15.0 25.3 78 497 A P S S- 0 0 70 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.317 95.8-149.7 -77.9 122.6 -12.8 -15.2 24.6 79 498 A T - 0 0 5 -4,-0.2 -39,-0.5 -39,-0.1 2,-0.4 -0.382 16.4-169.1 -61.1 125.9 -13.5 -12.4 22.1 80 499 A W E -CD 39 74A 34 -6,-2.0 -6,-2.7 -4,-0.2 2,-0.5 -0.978 16.8-155.7-121.7 136.2 -11.3 -12.6 19.1 81 500 A I E -CD 38 73A 0 -43,-2.0 -43,-2.9 -2,-0.4 2,-0.6 -0.955 17.8-155.2-106.5 123.4 -10.7 -10.0 16.3 82 501 A I E -CD 37 72A 0 -10,-3.3 -11,-2.6 -2,-0.5 -10,-1.9 -0.896 12.7-176.0-110.7 113.6 -9.6 -11.8 13.1 83 502 A M E -CD 36 70A 20 -47,-3.4 -47,-2.4 -2,-0.6 2,-0.3 -0.806 29.3-105.8-108.5 150.5 -7.6 -9.7 10.6 84 503 A E E -C 35 0A 29 -15,-3.0 -15,-0.4 -2,-0.3 2,-0.2 -0.563 35.6-178.1 -78.2 132.2 -6.3 -10.8 7.2 85 504 A L - 0 0 35 -51,-2.6 -51,-0.3 -2,-0.3 54,-0.0 -0.700 12.1-145.2-115.6 171.5 -2.6 -11.6 6.7 86 505 A Y > - 0 0 33 -2,-0.2 3,-0.9 -53,-0.1 52,-0.1 -0.901 28.6-102.3-136.3 161.6 -0.8 -12.6 3.5 87 506 A P T 3 S+ 0 0 102 0, 0.0 52,-0.1 0, 0.0 53,-0.1 0.714 109.9 60.8 -52.7 -26.3 2.2 -14.9 2.7 88 507 A Y T 3 S- 0 0 100 50,-0.7 51,-0.1 1,-0.2 2,-0.1 0.627 85.7-154.1 -93.5 -19.0 4.7 -12.0 2.2 89 508 A G < - 0 0 33 -3,-0.9 49,-2.3 49,-0.3 -1,-0.2 -0.285 49.0 -4.4 82.3-165.0 4.8 -10.3 5.6 90 509 A E B > -F 137 0B 61 47,-0.2 4,-1.8 1,-0.1 47,-0.2 -0.312 63.7-126.5 -60.8 144.4 5.7 -6.7 6.4 91 510 A L H > S+ 0 0 0 45,-2.8 4,-2.8 42,-0.7 5,-0.3 0.873 106.2 62.5 -58.1 -39.9 6.9 -4.6 3.5 92 511 A G H > S+ 0 0 7 41,-0.8 4,-1.6 44,-0.3 -1,-0.2 0.938 110.1 38.2 -54.8 -51.3 10.1 -3.6 5.4 93 512 A H H > S+ 0 0 92 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.796 113.3 57.0 -70.1 -32.6 11.3 -7.2 5.6 94 513 A Y H X S+ 0 0 28 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.883 107.1 48.9 -64.2 -43.1 10.0 -8.0 2.0 95 514 A L H X S+ 0 0 0 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.902 108.9 54.0 -62.8 -42.4 12.1 -5.2 0.6 96 515 A E H < S+ 0 0 105 -4,-1.6 3,-0.5 -5,-0.3 -2,-0.2 0.885 113.3 41.7 -57.4 -43.9 15.2 -6.4 2.5 97 516 A R H < S+ 0 0 210 -4,-1.7 3,-0.2 1,-0.2 -1,-0.2 0.750 121.8 39.4 -78.4 -25.6 14.8 -9.9 1.1 98 517 A N H >X S+ 0 0 52 -4,-1.6 4,-2.0 1,-0.2 3,-1.8 0.196 75.9 116.9-112.3 15.6 14.0 -8.9 -2.5 99 518 A K T 3< S+ 0 0 117 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.1 0.803 72.9 57.2 -57.7 -33.2 16.4 -5.9 -2.9 100 519 A N T 34 S+ 0 0 157 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.686 117.9 31.1 -73.6 -16.0 18.3 -7.5 -5.7 101 520 A S T <4 S+ 0 0 80 -3,-1.8 -2,-0.2 2,-0.1 2,-0.2 0.629 89.2 104.8-116.8 -19.2 15.2 -8.0 -7.9 102 521 A L < - 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0 0 52 -2,-0.4 4,-2.1 1,-0.0 -39,-0.2 -0.783 65.1 -90.7-129.7 176.3 -2.7 16.4 11.9 169 604 A T H > S+ 0 0 26 -2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.911 128.8 56.8 -57.6 -37.3 -3.1 15.2 8.3 170 605 A A H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.875 105.4 48.7 -63.0 -37.4 -0.1 17.5 7.5 171 606 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.863 108.2 55.9 -68.6 -32.3 2.1 15.7 10.1 172 607 A D H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.886 102.3 55.9 -61.9 -39.8 0.9 12.5 8.4 173 608 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.928 107.0 49.8 -59.8 -44.6 2.2 13.8 5.1 174 609 A W H X S+ 0 0 6 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.963 113.3 45.4 -54.6 -53.0 5.7 14.3 6.7 175 610 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.886 108.4 57.3 -61.0 -39.4 5.6 10.8 8.0 176 611 A F H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.910 104.7 51.1 -59.6 -41.2 4.4 9.4 4.7 177 612 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.873 108.2 52.1 -65.8 -35.1 7.5 10.9 3.0 178 613 A V H X S+ 0 0 2 -4,-1.8 4,-2.3 -22,-0.2 -1,-0.2 0.913 109.1 51.0 -60.6 -42.3 9.7 9.2 5.6 179 614 A C H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.934 108.8 50.8 -62.0 -44.6 7.9 6.0 4.7 180 615 A M H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.911 107.2 53.8 -54.6 -47.5 8.6 6.6 1.0 181 616 A W H X S+ 0 0 9 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.933 108.6 49.8 -53.7 -46.2 12.3 7.2 1.9 182 617 A E H ><>S+ 0 0 1 -4,-2.3 5,-2.9 2,-0.2 3,-0.5 0.928 111.7 48.5 -56.3 -48.6 12.2 3.7 3.6 183 618 A I H ><5S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.938 112.5 46.1 -60.9 -47.5 10.7 2.1 0.6 184 619 A L H 3<5S+ 0 0 2 -4,-2.9 30,-0.5 1,-0.3 -1,-0.2 0.660 111.1 54.9 -72.6 -13.0 13.1 3.6 -1.9 185 620 A S T X<5S- 0 0 9 -4,-1.2 3,-0.8 -3,-0.5 -1,-0.3 0.168 117.7-113.0 -99.1 13.7 16.0 2.6 0.5 186 621 A F T < 5S- 0 0 36 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.849 81.0 -39.7 51.0 40.0 14.8 -1.0 0.5 187 622 A G T 3 - 0 0 86 1,-0.1 3,-1.2 -4,-0.1 -1,-0.1 -0.685 31.6-111.6 -87.8 132.3 15.7 3.0 8.9 190 625 A P T 3 S+ 0 0 0 0, 0.0 4,-0.1 0, 0.0 -35,-0.1 -0.339 98.1 2.2 -62.2 140.9 15.4 6.8 8.7 191 626 A F T > S+ 0 0 8 1,-0.1 3,-2.0 2,-0.1 8,-0.1 0.834 76.5 158.3 51.7 38.9 18.2 8.6 10.7 192 627 A F T < S+ 0 0 129 -3,-1.2 -1,-0.1 1,-0.3 -37,-0.0 0.708 70.9 62.1 -63.6 -17.5 19.8 5.2 11.6 193 628 A W T 3 S+ 0 0 117 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.376 100.8 64.6 -88.4 0.1 23.0 7.3 12.2 194 629 A L S < S- 0 0 29 -3,-2.0 2,-0.3 -4,-0.1 -39,-0.1 -0.844 78.5-122.8-119.3 157.0 21.3 9.4 14.9 195 630 A E >> - 0 0 119 -2,-0.3 3,-1.7 1,-0.1 4,-0.6 -0.707 39.2-108.3 -84.6 151.0 19.9 8.8 18.4 196 631 A N H >> S+ 0 0 82 -2,-0.3 3,-1.2 1,-0.3 4,-0.5 0.848 118.3 59.9 -45.8 -41.4 16.2 9.9 18.8 197 632 A K H 34 S+ 0 0 165 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.738 101.9 52.7 -64.8 -24.9 17.3 12.8 20.9 198 633 A D H <> S+ 0 0 70 -3,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.558 88.4 84.2 -84.5 -15.5 19.5 14.3 18.1 199 634 A V H S+ 0 0 39 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.893 109.3 47.5 -57.4 -41.8 18.2 19.5 16.3 202 637 A V H <>S+ 0 0 25 -4,-1.4 5,-2.3 -3,-0.4 -1,-0.2 0.932 114.1 45.8 -67.1 -46.9 19.0 18.3 12.8 203 638 A L H ><5S+ 0 0 4 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.897 110.3 54.0 -64.0 -41.6 15.5 19.1 11.4 204 639 A E H 3<5S+ 0 0 93 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.860 106.1 53.0 -60.9 -36.1 15.5 22.6 13.1 205 640 A K T 3<5S- 0 0 154 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.417 124.9-102.4 -79.7 -0.6 18.9 23.4 11.4 206 641 A G T < 5S+ 0 0 50 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.482 73.3 142.1 92.8 4.2 17.4 22.5 8.0 207 642 A D < - 0 0 83 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.3 -0.517 24.9-178.5 -79.2 151.7 19.0 19.0 7.5 208 643 A R - 0 0 63 -2,-0.2 16,-0.0 0, 0.0 -5,-0.0 -0.915 38.6 -74.6-141.0 164.1 17.0 16.2 5.9 209 644 A L - 0 0 2 -2,-0.3 2,-0.1 1,-0.1 15,-0.0 -0.400 58.6-116.4 -56.2 132.3 17.2 12.6 4.9 210 645 A P - 0 0 72 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.348 37.7 -83.8 -71.9 159.2 19.5 12.3 1.9 211 646 A K - 0 0 82 1,-0.1 -30,-0.0 2,-0.1 9,-0.0 -0.410 46.6-118.3 -63.2 124.9 18.1 11.0 -1.5 212 647 A P > - 0 0 9 0, 0.0 3,-1.7 0, 0.0 -27,-0.1 -0.366 28.1-112.0 -59.3 144.2 18.2 7.2 -1.6 213 648 A D T 3 S+ 0 0 144 1,-0.3 -28,-0.1 -3,-0.1 -2,-0.1 0.877 115.0 38.9 -45.7 -48.5 20.4 6.0 -4.4 214 649 A L T 3 S+ 0 0 71 -30,-0.5 -1,-0.3 2,-0.1 -29,-0.1 0.475 88.6 114.6 -86.9 -1.7 17.6 4.6 -6.5 215 650 A C S < S- 0 0 3 -3,-1.7 5,-0.1 -31,-0.1 -34,-0.0 -0.542 71.2-120.2 -74.3 123.8 15.1 7.4 -5.8 216 651 A P >> - 0 0 12 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.391 21.2-122.5 -57.7 138.5 14.2 9.5 -8.9 217 652 A P H 3> S+ 0 0 93 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.862 111.9 55.2 -52.4 -39.4 15.2 13.1 -8.4 218 653 A V H 3> S+ 0 0 73 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.873 108.4 48.7 -62.4 -35.2 11.5 14.2 -9.1 219 654 A L H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.871 108.7 53.0 -71.8 -38.0 10.3 11.9 -6.3 220 655 A Y H X S+ 0 0 51 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.919 105.3 54.8 -63.3 -41.7 13.0 13.2 -3.9 221 656 A T H X S+ 0 0 59 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.925 107.9 49.8 -55.4 -44.4 11.8 16.8 -4.6 222 657 A L H X S+ 0 0 12 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.924 108.5 52.7 -61.5 -43.5 8.2 15.6 -3.6 223 658 A M H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.941 107.5 52.2 -54.6 -48.6 9.6 14.1 -0.4 224 659 A T H < S+ 0 0 51 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.850 106.3 52.6 -61.3 -32.8 11.3 17.4 0.4 225 660 A R H >< S+ 0 0 143 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.879 106.9 53.1 -68.3 -37.6 8.1 19.3 0.0 226 661 A C H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.742 106.5 56.3 -63.6 -25.0 6.4 16.8 2.4 227 662 A W T 3< S+ 0 0 5 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.055 73.5 137.6 -98.6 25.3 9.3 17.7 4.8 228 663 A D < - 0 0 60 -3,-1.4 6,-0.1 1,-0.2 5,-0.1 -0.514 57.8-134.3 -65.3 135.5 8.6 21.4 4.8 229 664 A Y S S+ 0 0 91 -2,-0.2 -69,-0.2 -26,-0.1 -1,-0.2 0.908 94.3 72.2 -54.8 -40.6 9.0 22.7 8.4 230 665 A D S > S- 0 0 71 1,-0.2 3,-2.1 -71,-0.1 4,-0.4 -0.665 76.7-151.5 -81.4 113.0 5.7 24.7 7.9 231 666 A P G > S+ 0 0 24 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.818 93.7 63.2 -56.4 -31.4 2.8 22.2 7.8 232 667 A S G 3 S+ 0 0 108 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.658 97.6 57.4 -67.2 -16.6 0.8 24.5 5.6 233 668 A D G < S+ 0 0 95 -3,-2.1 -1,-0.3 -5,-0.1 -6,-0.1 0.468 85.8 95.6 -94.1 -5.1 3.5 24.1 2.8 234 669 A R S < S- 0 0 15 -3,-1.3 -8,-0.2 -4,-0.4 -61,-0.0 -0.648 81.8-110.4 -82.2 143.6 3.2 20.4 2.6 235 670 A P - 0 0 37 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.311 29.8-109.0 -67.5 154.3 0.9 18.9 -0.1 236 671 A R > - 0 0 134 1,-0.1 4,-2.6 -63,-0.0 3,-0.2 -0.524 26.2-118.4 -68.9 153.2 -2.4 17.2 0.8 237 672 A F H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -118,-0.2 0.886 115.1 62.0 -57.9 -38.9 -2.5 13.5 0.2 238 673 A T H > S+ 0 0 54 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.903 111.3 36.2 -55.3 -44.1 -5.2 14.1 -2.3 239 674 A E H > S+ 0 0 86 2,-0.2 4,-1.9 -3,-0.2 3,-0.5 0.842 110.1 62.8 -78.1 -34.0 -2.9 16.2 -4.5 240 675 A L H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.844 95.2 61.8 -61.3 -33.2 0.2 14.0 -3.7 241 676 A V H X S+ 0 0 25 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.927 105.5 47.3 -53.7 -45.6 -1.7 11.1 -5.4 242 677 A C H X S+ 0 0 89 -4,-0.7 4,-1.8 -3,-0.5 -2,-0.2 0.921 113.7 46.7 -63.2 -43.9 -1.6 13.2 -8.6 243 678 A S H X S+ 0 0 43 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.900 114.7 46.3 -66.5 -43.7 2.1 14.1 -8.2 244 679 A L H X S+ 0 0 0 -4,-3.3 4,-2.6 2,-0.2 -1,-0.2 0.864 108.4 56.0 -67.2 -36.3 3.0 10.5 -7.5 245 680 A S H X S+ 0 0 37 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.890 106.8 51.7 -61.1 -38.2 0.9 9.2 -10.4 246 681 A D H X S+ 0 0 90 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.929 110.1 47.8 -61.1 -47.5 2.9 11.6 -12.6 247 682 A V H X S+ 0 0 1 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.900 110.7 52.4 -62.0 -43.4 6.2 10.1 -11.3 248 683 A Y H X S+ 0 0 42 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.947 110.7 46.5 -57.6 -49.2 4.9 6.6 -11.8 249 684 A Q H X S+ 0 0 99 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.906 112.4 50.5 -64.5 -40.6 4.0 7.3 -15.5 250 685 A M H X S+ 0 0 73 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.913 113.3 45.8 -59.4 -43.6 7.4 8.9 -16.1 251 686 A E H X S+ 0 0 38 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.816 110.9 53.2 -70.2 -32.4 9.2 5.9 -14.6 252 687 A K H < S+ 0 0 109 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.894 109.7 48.0 -67.0 -43.1 7.0 3.5 -16.6 253 688 A D H < S+ 0 0 131 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.944 108.9 53.0 -62.4 -50.9 7.8 5.3 -19.8 254 689 A I H < 0 0 131 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.881 360.0 360.0 -49.2 -43.5 11.6 5.2 -19.0 255 690 A A < 0 0 100 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.282 360.0 360.0 -69.0 360.0 11.2 1.5 -18.4