==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 10-SEP-12 4H1J . COMPND 2 MOLECULE: PROTEIN-TYROSINE KINASE 2-BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HAN . 263 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14065.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 65.8 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 . 37 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 0.8 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 . 11 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 0 0 2 1 0 0 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 3 0 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 1 419 A G 0 0 109 0, 0.0 73,-0.2 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0-136.3 -20.9 -14.2 11.3 2 420 A I - 0 0 33 73,-0.1 2,-0.2 71,-0.1 26,-0.1 0.924 360.0-132.6 57.8 113.1 -18.0 -16.8 11.3 3 421 A A > - 0 0 44 1,-0.1 3,-1.2 72,-0.1 4,-0.3 -0.629 18.0-123.6 -87.5 146.7 -18.2 -19.9 13.6 4 422 A R G > S+ 0 0 72 1,-0.2 3,-1.6 -2,-0.2 -1,-0.1 0.800 108.2 67.0 -59.7 -33.0 -15.0 -20.8 15.7 5 423 A E G 3 S+ 0 0 167 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.768 93.9 60.0 -57.9 -30.3 -14.9 -24.3 14.1 6 424 A D G < S+ 0 0 46 -3,-1.2 21,-2.4 20,-0.1 2,-0.5 0.615 97.4 72.4 -72.0 -18.5 -14.0 -22.7 10.7 7 425 A V E < -A 26 0A 11 -3,-1.6 2,-0.5 -4,-0.3 19,-0.2 -0.907 59.7-173.1-109.9 125.3 -10.8 -21.1 12.2 8 426 A V E -A 25 0A 82 17,-2.4 17,-2.3 -2,-0.5 2,-0.3 -0.969 17.3-141.5-116.3 126.7 -7.7 -23.0 13.1 9 427 A L E +A 24 0A 60 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.734 24.0 171.5 -87.4 135.3 -4.8 -21.3 15.0 10 428 A N E - 0 0 78 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.816 54.8 -14.4-111.3 -50.8 -1.3 -22.3 13.9 11 429 A R E S-A 23 0A 132 12,-1.1 12,-3.7 0, 0.0 -1,-0.4 -0.976 71.1 -88.9-156.9 154.4 1.5 -20.0 15.4 12 430 A I E -A 22 0A 95 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.534 28.8-171.4 -70.0 123.8 1.9 -16.7 17.3 13 431 A L E - 0 0 90 8,-2.8 2,-0.3 1,-0.4 9,-0.2 0.832 60.4 -66.0 -81.5 -40.1 2.4 -13.8 14.9 14 432 A G E -A 21 0A 26 7,-1.7 7,-3.1 9,-0.0 2,-0.5 -0.970 57.0 -66.5 173.2-172.0 3.3 -11.3 17.7 15 433 A E E -A 20 0A 142 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.938 42.1-165.6-109.8 122.5 2.0 -9.5 20.8 16 434 A G - 0 0 21 3,-2.2 136,-0.1 -2,-0.5 135,-0.1 -0.502 38.2 -98.8 -95.4 170.1 -0.7 -6.8 20.4 17 435 A F S S+ 0 0 123 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 0.890 123.5 34.9 -55.5 -45.9 -1.7 -4.2 23.0 18 436 A F S S- 0 0 44 1,-0.3 24,-2.6 22,-0.1 2,-0.3 0.645 131.8 -50.2 -86.8 -18.1 -4.8 -6.3 24.1 19 437 A G S S- 0 0 9 22,-0.2 -3,-2.2 -3,-0.1 -1,-0.3 -0.958 79.5 -34.7 166.1-178.9 -3.3 -9.8 23.7 20 438 A E E -A 15 0A 82 -2,-0.3 20,-1.7 -5,-0.2 2,-0.4 -0.234 46.1-141.8 -64.2 151.4 -1.4 -12.2 21.4 21 439 A V E -AB 14 39A 21 -7,-3.1 -8,-2.8 18,-0.2 -7,-1.7 -0.972 20.0-158.4-116.0 129.8 -2.0 -12.2 17.7 22 440 A Y E -AB 12 38A 57 16,-2.4 16,-3.5 -2,-0.4 2,-0.4 -0.842 18.2-127.8-113.6 148.6 -2.0 -15.6 15.9 23 441 A E E +AB 11 37A 53 -12,-3.7 -13,-3.0 -2,-0.3 -12,-1.1 -0.727 48.1 160.2 -84.3 137.4 -1.5 -16.8 12.4 24 442 A G E -AB 9 36A 2 12,-2.8 12,-2.4 -2,-0.4 2,-0.4 -0.870 39.9-115.5-148.6-176.1 -4.4 -19.0 11.4 25 443 A V E -AB 8 35A 28 -17,-2.3 -17,-2.4 -2,-0.3 2,-0.5 -0.996 19.1-161.9-133.2 122.0 -6.5 -20.5 8.6 26 444 A Y E -AB 7 34A 15 8,-3.5 8,-3.7 -2,-0.4 2,-0.5 -0.926 6.2-157.3-104.7 126.6 -10.2 -19.7 8.0 27 445 A T E - B 0 33A 47 -21,-2.4 6,-0.2 -2,-0.5 2,-0.0 -0.930 15.8-158.3-104.1 121.6 -12.2 -22.2 5.9 28 446 A N > - 0 0 37 4,-2.1 3,-0.8 -2,-0.5 -1,-0.0 -0.120 37.5 -80.7 -87.9-171.1 -15.3 -20.6 4.2 29 447 A H T 3 S+ 0 0 180 1,-0.2 -2,-0.0 2,-0.1 -1,-0.0 0.813 129.5 51.6 -58.2 -39.8 -18.6 -22.0 2.9 30 448 A K T 3 S- 0 0 168 2,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.627 119.2-110.2 -73.4 -19.3 -16.9 -23.1 -0.4 31 449 A G < + 0 0 45 -3,-0.8 2,-0.3 1,-0.3 -2,-0.1 0.542 68.2 151.6 93.1 11.2 -14.2 -25.0 1.5 32 450 A E - 0 0 96 1,-0.1 -4,-2.1 -5,-0.0 2,-0.6 -0.597 43.8-131.3 -77.2 132.8 -11.6 -22.3 0.4 33 451 A K E -B 27 0A 151 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.801 22.2-169.0 -92.8 115.5 -8.7 -21.8 2.9 34 452 A I E -B 26 0A 43 -8,-3.7 -8,-3.5 -2,-0.6 2,-0.2 -0.924 21.0-129.6-107.2 123.3 -8.0 -18.2 3.7 35 453 A N E -B 25 0A 79 -2,-0.5 51,-2.3 -10,-0.2 2,-0.3 -0.543 38.1-175.2 -70.6 131.5 -4.8 -17.3 5.7 36 454 A V E -BC 24 85A 0 -12,-2.4 -12,-2.8 49,-0.3 2,-0.5 -0.889 33.2-136.2-132.4 159.1 -5.7 -15.0 8.7 37 455 A A E -BC 23 84A 12 47,-2.3 47,-3.0 -2,-0.3 2,-0.6 -0.983 27.7-154.1-111.2 120.6 -4.3 -13.0 11.6 38 456 A V E -BC 22 83A 0 -16,-3.5 -16,-2.4 -2,-0.5 2,-0.4 -0.911 4.6-157.4-107.1 110.4 -6.4 -13.7 14.7 39 457 A K E -BC 21 82A 39 43,-3.1 43,-2.1 -2,-0.6 2,-0.2 -0.737 11.7-165.7 -92.1 127.8 -6.3 -10.8 17.3 40 458 A T - 0 0 23 -20,-1.7 2,-0.4 -2,-0.4 -22,-0.1 -0.659 10.4-145.2-111.2 167.4 -7.1 -11.8 20.9 41 459 A C - 0 0 25 39,-0.4 -22,-0.2 -2,-0.2 39,-0.1 -1.000 28.3-107.9-136.2 130.3 -8.0 -9.8 24.1 42 460 A K > - 0 0 124 -24,-2.6 3,-1.1 -2,-0.4 -23,-0.0 -0.275 25.1-134.6 -54.4 135.5 -7.1 -10.6 27.7 43 461 A K T 3 S+ 0 0 159 1,-0.2 -1,-0.1 36,-0.0 7,-0.1 0.854 100.5 57.5 -64.2 -37.4 -10.1 -11.8 29.7 44 462 A D T 3 S+ 0 0 135 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.154 79.7 125.7 -81.9 20.1 -9.4 -9.6 32.8 45 463 A C < - 0 0 39 -3,-1.1 -27,-0.0 1,-0.1 -4,-0.0 -0.374 68.5 -98.6 -75.5 159.0 -9.5 -6.3 30.8 46 464 A T > - 0 0 80 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.305 32.0-111.7 -68.9 161.2 -11.8 -3.4 31.8 47 465 A L H > S+ 0 0 150 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.896 121.1 56.4 -60.4 -39.0 -15.1 -3.0 29.9 48 466 A D H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.863 109.9 43.5 -57.8 -45.4 -13.7 0.3 28.5 49 467 A N H > S+ 0 0 57 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.854 111.2 53.1 -73.0 -36.9 -10.6 -1.7 27.1 50 468 A K H X S+ 0 0 69 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.883 111.2 49.2 -61.6 -38.9 -12.8 -4.6 25.8 51 469 A E H X S+ 0 0 142 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.908 110.6 49.1 -65.5 -46.3 -14.9 -1.9 24.0 52 470 A K H X S+ 0 0 96 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.887 111.7 49.7 -61.8 -40.5 -11.7 -0.3 22.5 53 471 A F H >< S+ 0 0 5 -4,-2.3 3,-1.2 1,-0.2 4,-0.5 0.952 114.4 43.9 -63.7 -49.8 -10.5 -3.7 21.3 54 472 A M H >X S+ 0 0 21 -4,-2.3 4,-1.7 1,-0.2 3,-0.8 0.773 98.6 73.6 -66.9 -26.2 -13.9 -4.5 19.6 55 473 A S H 3X S+ 0 0 26 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.748 87.4 64.0 -60.6 -24.5 -14.1 -1.0 18.1 56 474 A E H S+ 0 0 1 -3,-0.8 4,-1.6 -4,-0.5 -2,-0.2 0.883 113.3 52.1 -69.1 -41.2 -13.7 -4.7 14.1 58 476 A V H < S+ 0 0 90 -4,-1.7 4,-0.3 2,-0.2 -2,-0.2 0.895 119.4 37.0 -61.5 -42.1 -16.8 -2.3 14.2 59 477 A I H >< S+ 0 0 62 -4,-2.3 3,-2.0 -5,-0.2 4,-0.2 0.956 114.2 53.0 -72.7 -57.6 -14.6 0.4 12.3 60 478 A M H >< S+ 0 0 28 -4,-3.1 3,-1.5 1,-0.3 11,-0.4 0.710 94.5 69.6 -57.9 -26.1 -12.6 -1.9 10.0 61 479 A K T 3< S+ 0 0 146 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.766 96.9 55.7 -63.2 -23.2 -15.7 -3.6 8.6 62 480 A N T < S+ 0 0 115 -3,-2.0 2,-0.5 -4,-0.3 -1,-0.3 0.527 88.7 92.0 -84.6 -10.9 -16.5 -0.2 6.9 63 481 A L < + 0 0 31 -3,-1.5 8,-0.4 -4,-0.2 -3,-0.0 -0.790 36.2 155.3 -92.6 123.6 -13.1 -0.1 5.1 64 482 A D + 0 0 154 -2,-0.5 -1,-0.1 6,-0.1 6,-0.1 -0.231 23.4 140.0-140.0 43.0 -13.1 -1.6 1.6 65 483 A H > - 0 0 45 4,-0.2 3,-1.5 1,-0.1 -2,-0.0 -0.714 56.4-130.7 -91.5 138.4 -10.1 0.3 -0.0 66 484 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.694 108.3 44.3 -62.1 -17.0 -7.7 -1.7 -2.3 67 485 A H T 3 S+ 0 0 25 47,-0.1 80,-2.9 79,-0.1 2,-0.4 0.073 99.2 81.7-118.5 26.4 -4.7 -0.3 -0.4 68 486 A I B < S-e 147 0B 12 -3,-1.5 80,-0.2 78,-0.3 69,-0.0 -0.974 90.5 -95.4-128.2 138.7 -6.0 -0.7 3.2 69 487 A V - 0 0 15 78,-2.2 2,-0.4 -2,-0.4 -4,-0.2 -0.174 43.4-124.4 -51.2 145.5 -5.8 -4.0 5.2 70 488 A K - 0 0 96 15,-0.2 15,-2.8 -6,-0.1 2,-0.4 -0.818 7.3-141.4-105.4 136.2 -9.0 -6.1 5.1 71 489 A L E -D 84 0A 21 -11,-0.4 13,-0.2 -2,-0.4 3,-0.1 -0.786 14.0-175.1 -89.9 130.7 -11.1 -7.4 8.0 72 490 A I E - 0 0 38 11,-2.9 2,-0.3 -2,-0.4 12,-0.2 0.849 55.7 -50.5 -92.4 -43.7 -12.5 -11.0 7.4 73 491 A G E -D 83 0A 8 10,-2.0 10,-3.1 2,-0.0 2,-0.3 -0.990 38.6-116.8-177.9 179.9 -14.7 -11.3 10.5 74 492 A I E -D 82 0A 41 -2,-0.3 2,-0.7 8,-0.2 8,-0.2 -0.996 7.1-157.1-141.5 132.7 -15.4 -11.1 14.2 75 493 A I E -D 81 0A 13 6,-2.7 6,-1.9 -2,-0.3 -73,-0.1 -0.965 14.9-173.7-110.3 102.5 -16.3 -13.9 16.7 76 494 A E + 0 0 139 -2,-0.7 4,-0.2 4,-0.2 -1,-0.2 0.881 53.5 92.5 -64.1 -46.2 -18.0 -11.9 19.5 77 495 A E S S- 0 0 148 1,-0.1 4,-0.2 2,-0.1 -2,-0.1 -0.225 94.4 -55.2 -56.9 140.2 -18.5 -14.8 22.0 78 496 A E S S+ 0 0 72 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.363 131.6 45.9 -59.0 127.3 -15.7 -15.2 24.6 79 497 A P S S- 0 0 66 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.303 95.7-150.8 -80.3 120.7 -12.8 -15.6 23.7 80 498 A T - 0 0 8 -4,-0.2 -39,-0.4 -39,-0.1 2,-0.4 -0.437 15.8-169.4 -61.9 121.6 -13.6 -12.6 21.4 81 499 A W E - D 0 75A 32 -6,-1.9 -6,-2.7 -2,-0.2 2,-0.5 -0.976 18.6-153.8-123.8 134.2 -11.4 -12.8 18.2 82 500 A I E -CD 39 74A 0 -43,-2.1 -43,-3.1 -2,-0.4 2,-0.7 -0.905 18.4-153.3-101.6 121.0 -10.9 -10.2 15.4 83 501 A I E -CD 38 73A 0 -10,-3.1 -11,-2.9 -2,-0.5 -10,-2.0 -0.894 14.7-177.2-106.6 105.5 -10.0 -12.0 12.2 84 502 A M E -CD 37 71A 19 -47,-3.0 -47,-2.3 -2,-0.7 2,-0.3 -0.708 36.2-101.8 -98.2 153.1 -7.9 -10.0 9.7 85 503 A E E -C 36 0A 56 -15,-2.8 2,-0.3 -2,-0.3 -49,-0.3 -0.634 40.2-133.8 -74.5 130.3 -6.8 -11.2 6.2 86 504 A L - 0 0 24 -51,-2.3 -51,-0.2 -2,-0.3 3,-0.1 -0.692 9.6-154.6 -87.7 139.8 -3.2 -12.3 6.4 87 505 A Y > - 0 0 13 -2,-0.3 3,-2.3 1,-0.1 52,-0.2 -0.917 6.9-161.5-111.6 94.9 -0.7 -11.2 3.7 88 506 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 52,-0.1 0.697 84.8 69.2 -57.3 -17.5 2.0 -14.0 3.8 89 507 A Y T 3 S- 0 0 136 50,-0.7 51,-0.1 1,-0.2 2,-0.0 0.721 95.8-159.9 -68.5 -19.0 4.6 -11.8 2.0 90 508 A G < + 0 0 25 -3,-2.3 49,-2.5 49,-0.3 -1,-0.2 -0.284 38.1 2.8 76.9-158.7 4.6 -9.8 5.3 91 509 A E B > -F 138 0B 57 47,-0.2 4,-2.1 1,-0.1 47,-0.3 -0.309 63.3-128.2 -66.6 141.0 5.8 -6.2 5.9 92 510 A L H > S+ 0 0 0 45,-2.8 4,-3.0 42,-0.7 5,-0.2 0.832 104.3 57.7 -57.4 -40.5 7.0 -4.1 3.0 93 511 A G H > S+ 0 0 4 41,-0.7 4,-1.9 44,-0.3 -1,-0.2 0.923 111.5 40.9 -59.7 -46.4 10.4 -3.1 4.6 94 512 A H H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.880 115.0 53.3 -67.9 -39.3 11.5 -6.8 5.1 95 513 A Y H X S+ 0 0 21 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.901 109.3 48.1 -61.4 -45.4 10.1 -7.6 1.6 96 514 A L H < S+ 0 0 0 -4,-3.0 4,-0.4 1,-0.2 -2,-0.2 0.902 109.8 53.2 -62.4 -41.5 12.2 -4.8 0.1 97 515 A E H >< S+ 0 0 95 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.880 112.2 44.8 -60.6 -41.9 15.3 -6.0 2.0 98 516 A R H 3< S+ 0 0 216 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 0.767 120.9 37.9 -71.9 -33.6 14.9 -9.6 0.6 99 517 A N T >X S+ 0 0 53 -4,-1.7 3,-1.9 1,-0.1 4,-1.3 0.128 74.3 122.2-110.8 20.4 14.2 -8.5 -3.0 100 518 A K T <4 S+ 0 0 123 -3,-0.6 -1,-0.1 -4,-0.4 -2,-0.1 0.767 73.7 54.1 -53.5 -33.3 16.6 -5.5 -3.5 101 519 A N T 34 S+ 0 0 166 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.535 116.5 36.5 -81.6 -7.3 18.4 -7.1 -6.4 102 520 A S T <4 S+ 0 0 86 -3,-1.9 2,-0.3 2,-0.1 -2,-0.2 0.509 89.8 103.2-120.9 -10.3 15.2 -7.7 -8.5 103 521 A L < - 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0 0 99 1,-0.1 3,-1.2 -4,-0.1 -1,-0.1 -0.712 32.9-110.5 -86.5 134.6 15.7 3.1 8.6 200 625 A P T 3 S+ 0 0 0 0, 0.0 -35,-0.1 0, 0.0 -1,-0.1 -0.396 98.6 3.3 -67.4 140.7 15.6 6.9 8.4 201 626 A F T > S+ 0 0 10 1,-0.1 3,-2.2 2,-0.1 8,-0.0 0.774 77.0 157.4 53.6 35.9 18.3 8.7 10.4 202 627 A F T < S+ 0 0 127 -3,-1.2 -1,-0.1 1,-0.3 -37,-0.0 0.741 70.5 62.9 -58.1 -23.7 19.9 5.2 11.4 203 628 A W T 3 S+ 0 0 121 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 0.408 101.5 60.5 -81.9 -3.4 23.2 7.3 11.9 204 629 A L S < S- 0 0 35 -3,-2.2 2,-0.2 2,-0.0 -39,-0.1 -0.852 80.1-119.5-121.1 164.3 21.6 9.4 14.8 205 630 A E >> - 0 0 124 -2,-0.3 3,-1.6 1,-0.1 4,-0.6 -0.653 39.5-105.3 -92.3 156.5 20.1 8.7 18.2 206 631 A N G >4 S+ 0 0 70 1,-0.3 3,-1.1 -2,-0.2 4,-0.4 0.830 118.8 58.3 -48.4 -43.8 16.4 9.7 18.7 207 632 A K G 34 S+ 0 0 171 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.664 101.5 55.7 -64.8 -20.3 17.4 12.8 20.9 208 633 A D G <> S+ 0 0 72 -3,-1.6 4,-1.5 1,-0.1 -1,-0.2 0.619 87.1 83.5 -83.9 -21.1 19.6 14.3 18.0 209 634 A V H S+ 0 0 38 -4,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.888 110.0 53.3 -56.6 -41.6 15.0 17.6 16.3 211 636 A G H > S+ 0 0 40 -4,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.873 110.0 48.2 -60.0 -41.0 18.3 19.6 16.4 212 637 A V H <>S+ 0 0 23 -4,-1.5 5,-2.1 -3,-0.2 4,-0.2 0.943 114.1 46.2 -66.6 -46.3 19.1 18.3 12.9 213 638 A L H ><5S+ 0 0 3 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.901 110.0 53.1 -64.5 -44.1 15.6 19.2 11.5 214 639 A E H 3<5S+ 0 0 98 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.808 106.4 54.1 -61.6 -31.9 15.6 22.7 13.2 215 640 A K T 3<5S- 0 0 158 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.432 124.5-102.6 -78.5 -8.7 19.0 23.5 11.5 216 641 A G T < 5S+ 0 0 50 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.439 72.6 143.0 98.7 3.9 17.6 22.6 8.1 217 642 A D < - 0 0 80 -5,-2.1 -1,-0.3 -6,-0.2 2,-0.3 -0.502 24.3-178.8 -79.4 148.9 19.1 19.2 7.6 218 643 A R - 0 0 64 -2,-0.2 16,-0.0 1,-0.0 -5,-0.0 -0.916 38.5 -75.4-141.0 163.3 17.0 16.5 5.8 219 644 A L - 0 0 3 -2,-0.3 2,-0.1 1,-0.1 15,-0.0 -0.345 58.5-115.4 -57.5 132.5 17.3 12.8 4.8 220 645 A P - 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.377 36.7 -86.5 -74.6 159.0 19.6 12.6 1.7 221 646 A K - 0 0 80 1,-0.1 -30,-0.0 2,-0.1 9,-0.0 -0.483 47.5-118.8 -63.6 125.9 18.2 11.4 -1.7 222 647 A P > - 0 0 10 0, 0.0 3,-1.5 0, 0.0 -27,-0.1 -0.330 29.1-106.6 -64.3 150.5 18.3 7.6 -1.9 223 648 A D T 3 S+ 0 0 152 1,-0.3 -28,-0.1 -28,-0.0 -2,-0.1 0.843 115.9 34.6 -44.0 -50.9 20.5 6.3 -4.7 224 649 A L T 3 S+ 0 0 83 -30,-0.5 -1,-0.3 2,-0.1 -29,-0.1 0.342 87.1 120.1 -95.3 7.6 17.8 5.1 -7.1 225 650 A C < - 0 0 2 -3,-1.5 5,-0.0 -31,-0.1 -34,-0.0 -0.589 69.4-120.8 -74.5 123.8 15.3 7.8 -6.2 226 651 A P >> - 0 0 13 0, 0.0 4,-1.8 0, 0.0 3,-0.5 -0.403 22.3-121.0 -60.0 138.0 14.3 9.9 -9.3 227 652 A P H 3> S+ 0 0 93 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.859 112.2 54.1 -50.2 -39.3 15.3 13.6 -8.7 228 653 A V H 3> S+ 0 0 73 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.885 107.3 51.1 -64.5 -35.7 11.6 14.8 -9.3 229 654 A L H <> S+ 0 0 0 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.895 108.1 51.9 -68.0 -39.2 10.4 12.3 -6.6 230 655 A Y H X S+ 0 0 52 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.891 105.0 56.1 -64.7 -36.9 13.0 13.7 -4.1 231 656 A T H X S+ 0 0 59 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.934 108.1 48.4 -58.3 -44.2 11.7 17.2 -4.8 232 657 A L H X S+ 0 0 11 -4,-1.7 4,-1.6 1,-0.2 3,-0.3 0.910 109.6 52.5 -61.8 -43.0 8.2 16.0 -3.7 233 658 A M H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.908 107.6 51.9 -58.5 -45.5 9.7 14.4 -0.6 234 659 A T H < S+ 0 0 51 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.795 106.1 53.7 -64.9 -28.3 11.4 17.7 0.4 235 660 A R H >< S+ 0 0 141 -4,-1.4 3,-1.3 -3,-0.3 -1,-0.2 0.864 106.7 51.9 -71.5 -35.8 8.1 19.6 -0.0 236 661 A C H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.719 106.8 56.8 -68.6 -24.9 6.4 17.1 2.4 237 662 A W T 3< S+ 0 0 5 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.057 73.7 135.6 -96.9 25.2 9.4 18.0 4.8 238 663 A D < - 0 0 61 -3,-1.3 6,-0.1 1,-0.2 -54,-0.1 -0.524 59.0-134.7 -68.8 136.7 8.7 21.7 4.9 239 664 A Y S S+ 0 0 92 -2,-0.2 -69,-0.2 -26,-0.1 -1,-0.2 0.911 94.1 72.8 -57.9 -40.1 9.0 22.9 8.5 240 665 A D S > S- 0 0 70 1,-0.1 3,-1.6 2,-0.0 4,-0.4 -0.649 77.5-150.9 -78.4 116.4 5.8 24.9 8.0 241 666 A P G > S+ 0 0 31 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.809 93.2 63.3 -58.5 -30.8 2.8 22.4 7.9 242 667 A S G 3 S+ 0 0 107 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.618 98.1 56.5 -68.3 -17.2 0.8 24.7 5.6 243 668 A D G < S+ 0 0 92 -3,-1.6 -1,-0.3 2,-0.1 -6,-0.1 0.500 85.8 96.2 -93.5 -6.2 3.5 24.4 2.8 244 669 A R S < S- 0 0 15 -3,-1.2 -8,-0.2 -4,-0.4 -61,-0.0 -0.621 82.8-112.5 -80.2 141.4 3.2 20.6 2.7 245 670 A P - 0 0 38 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.300 28.9-108.9 -69.0 160.3 0.9 19.3 -0.1 246 671 A R > - 0 0 133 1,-0.1 4,-2.4 -63,-0.0 3,-0.4 -0.580 26.5-117.5 -77.4 154.7 -2.4 17.6 0.8 247 672 A F H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -127,-0.2 0.865 114.1 61.0 -59.6 -38.3 -2.5 13.8 0.1 248 673 A T H > S+ 0 0 55 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.890 112.6 36.4 -56.6 -43.0 -5.3 14.4 -2.5 249 674 A E H > S+ 0 0 89 -3,-0.4 4,-1.7 2,-0.2 3,-0.4 0.830 110.0 61.6 -79.3 -33.6 -3.0 16.6 -4.6 250 675 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.826 96.2 62.0 -62.6 -27.6 0.1 14.5 -3.9 251 676 A V H X S+ 0 0 26 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.940 105.1 47.8 -59.8 -45.2 -1.8 11.6 -5.6 252 677 A C H X S+ 0 0 88 -4,-0.7 4,-1.6 -3,-0.4 -2,-0.2 0.887 113.3 46.1 -60.8 -47.5 -1.7 13.8 -8.8 253 678 A S H X S+ 0 0 44 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.863 114.2 48.2 -65.2 -41.3 2.1 14.6 -8.4 254 679 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.876 108.8 53.1 -69.0 -36.6 2.9 10.9 -7.7 255 680 A S H X S+ 0 0 35 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.871 108.2 52.0 -64.5 -35.3 0.9 9.7 -10.7 256 681 A D H X S+ 0 0 102 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.932 111.0 46.5 -64.8 -45.1 2.9 12.2 -12.9 257 682 A V H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.879 111.9 51.9 -62.7 -43.6 6.2 10.7 -11.5 258 683 A Y H X S+ 0 0 38 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.931 112.0 44.9 -59.6 -47.1 4.8 7.1 -12.1 259 684 A Q H X S+ 0 0 101 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.879 112.4 52.1 -65.9 -37.7 3.9 7.9 -15.8 260 685 A M H X S+ 0 0 66 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.914 113.5 44.6 -62.4 -44.9 7.3 9.7 -16.3 261 686 A E H X S+ 0 0 38 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.858 111.2 52.3 -67.9 -41.3 9.1 6.6 -14.9 262 687 A K H < S+ 0 0 110 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.901 107.1 53.5 -62.4 -42.8 7.0 4.1 -17.0 263 688 A D H < S+ 0 0 134 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.866 112.1 44.2 -60.1 -40.4 7.8 6.0 -20.2 264 689 A I H < 0 0 136 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.880 360.0 360.0 -71.0 -39.9 11.6 5.8 -19.5 265 690 A A < 0 0 106 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.670 360.0 360.0 -76.6 360.0 11.2 2.1 -18.5