==== 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 4H1M . COMPND 2 MOLECULE: PROTEIN-TYROSINE KINASE 2-BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HAN . 256 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13574.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 70.3 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 14.8 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 0.8 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 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 34.0 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 1 0 1 1 0 0 0 0 0 2 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 91 0, 0.0 2,-0.3 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 120.9 -16.9 -16.8 11.3 2 421 A A > - 0 0 50 1,-0.1 3,-1.3 72,-0.1 72,-0.0 -0.689 360.0-132.2 -88.8 138.7 -16.8 -20.0 13.4 3 422 A R G > S+ 0 0 64 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.772 105.2 59.8 -58.2 -36.0 -14.0 -20.6 15.9 4 423 A E G 3 S+ 0 0 174 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.699 95.1 64.9 -68.3 -19.8 -13.3 -24.2 14.7 5 424 A D G < S+ 0 0 60 -3,-1.3 21,-2.3 1,-0.1 2,-0.4 0.324 95.0 71.6 -81.7 2.2 -12.5 -22.7 11.2 6 425 A V E < -A 25 0A 10 -3,-1.4 2,-0.4 19,-0.2 19,-0.2 -0.977 63.0-170.9-127.1 116.3 -9.5 -20.9 12.8 7 426 A V E -A 24 0A 91 17,-2.3 17,-2.2 -2,-0.4 2,-0.4 -0.913 18.7-137.5-105.7 127.3 -6.3 -22.8 13.9 8 427 A L E +A 23 0A 66 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.731 23.0 176.4 -89.5 133.4 -3.7 -20.9 15.9 9 428 A N E - 0 0 72 13,-2.8 2,-0.3 1,-0.4 14,-0.2 0.849 57.3 -28.0-101.3 -50.0 -0.0 -21.5 15.0 10 429 A R E -A 22 0A 147 12,-1.5 12,-3.6 3,-0.0 2,-0.5 -0.969 69.8 -78.6-163.6 165.2 2.2 -19.2 17.1 11 430 A I E -A 21 0A 90 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.610 29.0-167.1 -76.2 118.9 2.2 -15.8 19.0 12 431 A L E - 0 0 92 8,-2.2 2,-0.3 -2,-0.5 9,-0.2 0.798 61.5 -74.1 -71.6 -34.5 2.7 -12.9 16.5 13 432 A G E -A 20 0A 26 7,-1.6 7,-3.1 -3,-0.1 2,-0.6 -0.944 58.4 -57.6 160.5-174.1 3.4 -10.6 19.4 14 433 A E E -A 19 0A 137 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.877 45.4-160.6-100.7 122.1 1.8 -8.7 22.3 15 434 A G - 0 0 22 3,-2.6 136,-0.1 -2,-0.6 5,-0.0 -0.291 38.1 -95.7 -84.4 179.1 -0.9 -6.3 21.4 16 435 A F S S+ 0 0 148 1,-0.2 3,-0.1 134,-0.1 -1,-0.0 0.899 124.0 30.3 -65.3 -39.5 -2.0 -3.4 23.8 17 436 A F S S- 0 0 29 1,-0.2 24,-3.1 22,-0.1 2,-0.3 0.600 132.3 -40.8 -97.3 -13.5 -5.0 -5.5 25.2 18 437 A G S S- 0 0 9 22,-0.3 -3,-2.6 23,-0.0 -1,-0.2 -0.965 82.7 -36.8 172.1-174.9 -3.6 -9.1 24.9 19 438 A E E -A 14 0A 77 -2,-0.3 20,-1.5 -5,-0.2 2,-0.5 -0.323 44.3-143.9 -67.9 148.0 -1.6 -11.5 22.7 20 439 A V E -AB 13 38A 17 -7,-3.1 -8,-2.2 18,-0.2 -7,-1.6 -0.969 17.2-155.3-115.0 129.2 -1.9 -11.6 18.9 21 440 A Y E -AB 11 37A 59 16,-2.6 16,-3.1 -2,-0.5 2,-0.5 -0.794 14.6-133.3-106.5 147.1 -1.7 -15.0 17.3 22 441 A E E +AB 10 36A 43 -12,-3.6 -13,-2.8 -2,-0.3 -12,-1.5 -0.891 46.6 159.1 -94.4 122.2 -0.6 -16.0 13.7 23 442 A G E -AB 8 35A 0 12,-3.0 12,-2.3 -2,-0.5 2,-0.4 -0.748 40.0-116.0-135.4-175.0 -3.2 -18.4 12.5 24 443 A V E -AB 7 34A 30 -17,-2.2 -17,-2.3 10,-0.2 2,-0.5 -1.000 19.2-156.9-132.4 128.5 -4.9 -20.0 9.5 25 444 A Y E -AB 6 33A 33 8,-3.1 8,-2.8 -2,-0.4 2,-0.6 -0.944 3.4-157.2-109.4 121.9 -8.6 -19.5 8.5 26 445 A T E - B 0 32A 47 -21,-2.3 6,-0.2 -2,-0.5 5,-0.1 -0.903 18.5-158.3 -99.7 113.6 -10.2 -22.2 6.3 27 446 A N > - 0 0 25 4,-1.4 3,-1.4 -2,-0.6 -1,-0.0 -0.098 39.2 -83.0 -80.4-176.4 -13.2 -20.6 4.5 28 447 A H T 3 S+ 0 0 168 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.694 131.1 56.4 -59.3 -25.6 -16.4 -22.3 3.0 29 448 A K T 3 S- 0 0 140 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.576 112.3-121.3 -82.6 -16.5 -14.2 -23.0 -0.1 30 449 A G < + 0 0 32 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.235 65.5 138.4 90.9 -11.7 -11.6 -24.9 1.9 31 450 A E - 0 0 103 1,-0.1 -4,-1.4 -5,-0.1 2,-0.5 -0.459 55.4-119.3 -71.3 137.7 -8.7 -22.5 0.9 32 451 A K E -B 26 0A 147 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.711 27.0-167.2 -85.6 116.7 -6.3 -21.5 3.7 33 452 A I E -B 25 0A 29 -8,-2.8 -8,-3.1 -2,-0.5 2,-0.3 -0.912 21.1-127.6-107.3 128.3 -6.0 -17.8 4.5 34 453 A N E -B 24 0A 45 -2,-0.5 51,-3.0 51,-0.3 2,-0.3 -0.581 39.4-179.5 -72.9 128.9 -3.2 -16.5 6.7 35 454 A V E -BC 23 84A 0 -12,-2.3 -12,-3.0 -2,-0.3 2,-0.5 -0.962 33.4-136.6-135.1 155.7 -4.7 -14.4 9.6 36 455 A A E -BC 22 83A 12 47,-3.0 47,-2.7 -2,-0.3 2,-0.7 -0.956 23.7-157.5-108.3 120.4 -3.7 -12.3 12.7 37 456 A V E -BC 21 82A 0 -16,-3.1 -16,-2.6 -2,-0.5 2,-0.4 -0.911 6.4-159.3-106.6 105.6 -6.0 -13.2 15.6 38 457 A K E -BC 20 81A 48 43,-2.9 43,-1.8 -2,-0.7 2,-0.3 -0.705 10.2-168.5 -88.8 133.7 -6.1 -10.4 18.2 39 458 A T E - C 0 80A 23 -20,-1.5 2,-0.4 -2,-0.4 -22,-0.1 -0.827 14.3-139.0-123.2 159.3 -7.3 -11.2 21.8 40 459 A C - 0 0 20 39,-0.5 -22,-0.3 -2,-0.3 39,-0.2 -0.986 27.9-112.7-122.0 126.8 -8.2 -9.2 24.9 41 460 A K > - 0 0 91 -24,-3.1 3,-1.2 -2,-0.4 -23,-0.0 -0.283 23.7-131.8 -56.1 135.1 -7.2 -10.1 28.5 42 461 A K T 3 S+ 0 0 163 1,-0.2 -1,-0.1 7,-0.0 7,-0.1 0.872 101.6 62.1 -55.9 -44.7 -10.3 -11.2 30.5 43 462 A D T 3 S+ 0 0 135 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.306 80.1 120.2 -67.0 2.4 -9.4 -8.9 33.5 44 463 A C < - 0 0 26 -3,-1.2 -4,-0.0 1,-0.1 -27,-0.0 -0.309 69.3-103.1 -72.2 158.0 -9.6 -5.7 31.4 45 464 A T > - 0 0 77 1,-0.1 4,-2.1 -2,-0.0 5,-0.1 -0.241 29.8-111.2 -70.9 164.8 -12.1 -2.8 32.2 46 465 A L H > S+ 0 0 156 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.866 123.4 54.8 -65.4 -34.0 -15.3 -2.4 30.2 47 466 A D H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 109.1 46.7 -62.7 -43.7 -13.7 0.8 28.8 48 467 A N H > S+ 0 0 56 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.846 111.6 50.7 -67.8 -37.4 -10.6 -1.3 27.7 49 468 A K H X S+ 0 0 54 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.854 110.8 50.4 -67.9 -36.4 -12.8 -4.0 26.1 50 469 A E H X S+ 0 0 152 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.940 109.3 49.2 -66.7 -48.0 -14.7 -1.2 24.2 51 470 A K H X S+ 0 0 134 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.843 109.8 53.5 -59.6 -35.5 -11.4 0.3 22.9 52 471 A F H >X S+ 0 0 5 -4,-1.7 3,-0.9 1,-0.2 4,-0.5 0.914 109.9 47.6 -63.6 -45.0 -10.3 -3.3 21.8 53 472 A M H >X S+ 0 0 32 -4,-1.8 4,-2.2 1,-0.2 3,-0.7 0.776 92.8 77.0 -68.4 -31.5 -13.6 -3.6 19.8 54 473 A S H 3X S+ 0 0 33 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.781 90.9 56.8 -51.3 -31.0 -13.2 -0.2 18.2 55 474 A E H X S+ 0 0 99 -4,-2.8 3,-1.4 2,-0.2 4,-0.6 0.957 117.0 52.1 -67.3 -57.2 -13.6 0.7 12.3 59 478 A M H >< S+ 0 0 25 -4,-2.9 3,-0.7 1,-0.3 11,-0.5 0.778 101.7 60.5 -54.7 -33.5 -11.8 -2.1 10.3 60 479 A K H 3< S+ 0 0 151 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.819 106.3 50.1 -60.7 -34.5 -15.1 -3.7 9.2 61 480 A N H << S+ 0 0 120 -3,-1.4 2,-0.4 -4,-0.6 -1,-0.2 0.602 92.4 89.2 -82.7 -14.7 -15.9 -0.3 7.5 62 481 A L << + 0 0 28 -3,-0.7 8,-0.4 -4,-0.6 -4,-0.0 -0.750 37.5 154.9 -90.2 129.2 -12.6 -0.1 5.7 63 482 A D + 0 0 154 -2,-0.4 -1,-0.1 6,-0.1 6,-0.1 0.103 21.9 140.6-139.5 19.7 -12.6 -1.7 2.2 64 483 A H > - 0 0 42 4,-0.1 3,-1.8 1,-0.1 53,-0.0 -0.429 56.9-127.6 -70.6 136.9 -9.8 0.2 0.4 65 484 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.689 109.2 45.2 -60.7 -17.8 -7.5 -1.9 -1.9 66 485 A H T 3 S+ 0 0 23 47,-0.1 80,-2.9 79,-0.1 2,-0.3 0.025 99.2 82.5-116.5 28.2 -4.4 -0.5 -0.2 67 486 A I B < S-e 146 0B 11 -3,-1.8 80,-0.2 78,-0.3 69,-0.1 -0.971 89.2 -96.7-126.8 142.8 -5.6 -0.9 3.4 68 487 A V - 0 0 11 78,-2.3 2,-0.4 -2,-0.3 -4,-0.1 -0.139 42.7-122.7 -56.5 151.3 -5.4 -4.1 5.5 69 488 A K - 0 0 100 15,-0.2 15,-3.1 -6,-0.1 2,-0.5 -0.859 3.7-136.3-109.0 138.2 -8.6 -6.3 5.6 70 489 A L E -D 83 0A 24 -11,-0.5 13,-0.3 -2,-0.4 3,-0.1 -0.779 14.7-170.4 -86.8 124.5 -10.7 -7.5 8.5 71 490 A I E - 0 0 32 11,-2.4 2,-0.3 -2,-0.5 12,-0.2 0.899 57.8 -55.2 -80.7 -47.9 -11.6 -11.2 8.0 72 491 A G E -D 82 0A 6 10,-1.9 10,-2.8 2,-0.0 2,-0.3 -0.978 40.7-114.1-175.6-178.1 -14.1 -11.4 10.8 73 492 A I E -D 81 0A 54 -2,-0.3 2,-0.7 8,-0.2 8,-0.2 -0.999 9.5-158.0-136.8 132.0 -15.0 -11.0 14.5 74 493 A I E -D 80 0A 13 6,-2.7 6,-1.9 -2,-0.3 -72,-0.1 -0.958 12.5-178.1-110.1 106.1 -15.9 -13.7 17.1 75 494 A E + 0 0 152 -2,-0.7 4,-0.2 4,-0.2 -1,-0.2 0.856 53.0 96.7 -74.0 -35.5 -17.9 -11.7 19.8 76 495 A E S S- 0 0 153 1,-0.1 4,-0.2 2,-0.1 -2,-0.1 -0.236 94.2 -54.6 -55.8 137.0 -18.4 -14.8 22.0 77 496 A E S S+ 0 0 89 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.387 132.1 43.0 -62.1 129.4 -15.8 -15.1 24.8 78 497 A P S S- 0 0 69 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.367 96.2-145.9 -80.3 126.7 -12.9 -15.2 24.2 79 498 A T - 0 0 6 -4,-0.2 -39,-0.5 -39,-0.2 2,-0.4 -0.433 18.2-168.2 -62.3 125.6 -13.5 -12.3 21.8 80 499 A W E -CD 39 74A 31 -6,-1.9 -6,-2.7 -4,-0.2 2,-0.5 -0.954 17.8-155.9-121.8 141.0 -11.2 -12.5 18.7 81 500 A I E -CD 38 73A 0 -43,-1.8 -43,-2.9 -2,-0.4 2,-0.6 -0.976 18.5-157.4-112.1 116.1 -10.6 -9.9 15.9 82 501 A I E -CD 37 72A 0 -10,-2.8 -11,-2.4 -2,-0.5 -10,-1.9 -0.910 13.2-179.7-105.0 116.5 -9.4 -11.7 12.8 83 502 A M E -CD 36 70A 16 -47,-2.7 -47,-3.0 -2,-0.6 -13,-0.2 -0.878 32.0-103.3-114.7 147.4 -7.4 -9.7 10.3 84 503 A E E -C 35 0A 37 -15,-3.1 2,-0.3 -2,-0.3 -49,-0.3 -0.451 33.3-171.4 -72.5 136.8 -5.9 -10.9 7.0 85 504 A L - 0 0 28 -51,-3.0 -51,-0.3 -2,-0.2 52,-0.0 -0.775 11.7-143.3-117.1 164.0 -2.2 -11.6 6.7 86 505 A Y > - 0 0 23 -2,-0.3 3,-1.3 -53,-0.1 52,-0.1 -0.919 20.9-121.0-128.6 150.0 -0.4 -12.4 3.5 87 506 A P T 3 S+ 0 0 99 0, 0.0 52,-0.1 0, 0.0 53,-0.1 0.676 107.6 67.4 -72.2 -10.3 2.5 -14.9 3.0 88 507 A Y T 3 S- 0 0 112 50,-0.6 6,-0.1 1,-0.2 51,-0.1 0.491 91.2-162.3 -83.8 -5.2 4.9 -12.1 1.7 89 508 A G < + 0 0 30 -3,-1.3 49,-2.6 49,-0.2 -1,-0.2 -0.095 41.3 0.1 60.5-154.1 4.9 -10.5 5.2 90 509 A E B > -F 137 0B 62 47,-0.2 4,-1.9 1,-0.1 47,-0.3 -0.314 64.0-125.7 -66.3 149.6 5.9 -6.9 6.0 91 510 A L H > S+ 0 0 0 45,-2.5 4,-2.9 42,-0.7 5,-0.2 0.856 107.4 58.5 -64.9 -35.8 7.1 -4.6 3.3 92 511 A G H > S+ 0 0 10 41,-0.8 4,-1.8 44,-0.3 -1,-0.2 0.920 111.0 40.0 -59.7 -48.0 10.4 -3.9 5.1 93 512 A H H > S+ 0 0 86 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.876 115.4 53.2 -69.6 -39.5 11.5 -7.5 5.2 94 513 A Y H X S+ 0 0 25 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.877 109.5 48.3 -61.8 -45.5 10.2 -8.1 1.6 95 514 A L H < S+ 0 0 0 -4,-2.9 4,-0.4 2,-0.2 -2,-0.2 0.909 112.3 48.6 -62.8 -45.2 12.3 -5.1 0.3 96 515 A E H >< S+ 0 0 117 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.936 114.7 45.6 -58.9 -49.3 15.4 -6.3 2.1 97 516 A R H 3< S+ 0 0 202 -4,-2.4 3,-0.2 1,-0.2 -1,-0.2 0.801 121.8 35.9 -64.7 -36.4 14.9 -9.9 0.7 98 517 A N T >X S+ 0 0 52 -4,-2.0 4,-2.2 1,-0.2 3,-1.1 0.122 75.8 123.6-109.0 19.8 14.2 -8.8 -2.9 99 518 A K T <4 S+ 0 0 120 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.1 0.692 75.9 49.8 -50.8 -29.8 16.6 -5.8 -3.2 100 519 A N T 34 S+ 0 0 155 -3,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.714 117.5 36.7 -87.3 -22.7 18.3 -7.3 -6.3 101 520 A S T <4 S+ 0 0 78 -3,-1.1 2,-0.2 2,-0.1 -2,-0.2 0.696 91.5 100.0-101.3 -24.6 15.2 -8.1 -8.3 102 521 A L < - 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0 0 98 1,-0.1 3,-1.3 -2,-0.1 -1,-0.1 -0.628 32.3-111.2 -77.5 133.7 15.8 2.8 8.7 192 625 A P T 3 S+ 0 0 0 0, 0.0 -35,-0.1 0, 0.0 4,-0.1 -0.392 98.1 3.6 -67.2 142.7 15.6 6.7 8.5 193 626 A F T > S+ 0 0 7 1,-0.1 3,-2.5 2,-0.1 8,-0.1 0.763 78.5 159.3 50.9 35.2 18.4 8.4 10.5 194 627 A F T < S+ 0 0 128 -3,-1.3 -1,-0.1 1,-0.3 -37,-0.0 0.683 70.9 59.2 -55.5 -23.1 19.9 5.0 11.4 195 628 A W T 3 S+ 0 0 123 2,-0.1 -1,-0.3 0, 0.0 2,-0.3 0.412 101.5 66.4 -88.1 -5.8 23.1 6.9 12.2 196 629 A L S < S- 0 0 31 -3,-2.5 2,-0.2 -4,-0.1 -39,-0.1 -0.754 78.4-123.0-113.9 164.4 21.5 9.1 14.9 197 630 A E >> - 0 0 121 -2,-0.3 3,-0.9 1,-0.1 4,-0.7 -0.613 37.9-107.4 -93.1 161.8 20.0 8.6 18.3 198 631 A N H >> S+ 0 0 84 1,-0.2 3,-0.8 -2,-0.2 4,-0.5 0.872 119.1 58.8 -59.1 -37.9 16.4 9.7 18.8 199 632 A K H 34 S+ 0 0 171 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.729 103.2 53.6 -63.7 -24.2 17.5 12.7 20.9 200 633 A D H <> S+ 0 0 61 -3,-0.9 4,-1.5 1,-0.1 -1,-0.2 0.645 88.6 81.5 -80.9 -27.0 19.6 14.1 18.0 201 634 A V H S+ 0 0 41 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.870 110.5 46.5 -56.4 -41.5 18.4 19.3 16.4 204 637 A V H <>S+ 0 0 24 -4,-1.5 5,-2.3 -3,-0.3 4,-0.2 0.898 114.9 45.7 -69.7 -43.8 19.3 18.1 12.8 205 638 A L H ><5S+ 0 0 3 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.922 111.3 52.6 -68.2 -42.3 15.7 18.9 11.5 206 639 A E H 3<5S+ 0 0 92 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.816 106.7 53.8 -60.0 -33.6 15.7 22.4 13.2 207 640 A K T 3<5S- 0 0 156 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.456 124.7-105.0 -78.9 -10.3 19.1 23.2 11.5 208 641 A G T < 5S+ 0 0 47 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.451 71.0 144.0 96.7 4.9 17.6 22.3 8.1 209 642 A D < - 0 0 81 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.3 -0.500 25.6-173.7 -77.9 145.4 19.2 18.9 7.5 210 643 A R - 0 0 66 -2,-0.2 16,-0.0 1,-0.0 -1,-0.0 -0.869 36.6 -77.8-133.1 167.7 17.1 16.3 5.7 211 644 A L - 0 0 3 -2,-0.3 2,-0.0 1,-0.1 -28,-0.0 -0.452 58.0-116.2 -63.2 132.3 17.3 12.5 4.8 212 645 A P - 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.303 37.1 -85.4 -70.9 161.8 19.6 12.3 1.7 213 646 A K - 0 0 82 1,-0.1 -30,-0.0 2,-0.1 9,-0.0 -0.517 45.6-118.5 -67.0 127.1 18.3 11.0 -1.6 214 647 A P > - 0 0 10 0, 0.0 3,-1.5 0, 0.0 -27,-0.1 -0.361 27.9-112.5 -61.7 145.6 18.4 7.2 -1.8 215 648 A D T 3 S+ 0 0 153 1,-0.3 -28,-0.1 -28,-0.0 -2,-0.1 0.863 116.5 41.0 -45.7 -44.0 20.7 6.0 -4.7 216 649 A L T 3 S+ 0 0 72 -30,-0.5 -1,-0.3 2,-0.1 -29,-0.1 0.467 88.5 113.9 -89.2 -2.3 17.7 4.6 -6.7 217 650 A C S < S- 0 0 3 -3,-1.5 -4,-0.0 -31,-0.1 -34,-0.0 -0.546 70.3-122.6 -75.3 124.5 15.3 7.5 -6.0 218 651 A P >> - 0 0 13 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.443 20.7-121.3 -63.6 140.1 14.4 9.6 -9.1 219 652 A P H 3> S+ 0 0 91 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.836 113.1 54.1 -50.3 -39.5 15.2 13.3 -8.6 220 653 A V H 3> S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.896 109.0 48.6 -62.0 -41.4 11.5 14.3 -9.2 221 654 A L H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.896 110.4 50.8 -67.2 -40.1 10.4 11.9 -6.4 222 655 A Y H X S+ 0 0 52 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.884 107.2 53.8 -64.8 -37.4 13.1 13.3 -4.0 223 656 A T H X S+ 0 0 60 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.936 109.8 48.1 -60.1 -45.1 11.9 16.9 -4.7 224 657 A L H X S+ 0 0 10 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.895 109.8 52.6 -60.2 -42.9 8.4 15.7 -3.7 225 658 A M H X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.904 107.7 52.1 -58.2 -45.3 9.9 14.1 -0.5 226 659 A T H < S+ 0 0 51 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.814 106.1 53.5 -62.9 -30.4 11.5 17.4 0.3 227 660 A R H >< S+ 0 0 139 -4,-1.6 3,-1.0 1,-0.2 -1,-0.2 0.857 106.4 52.0 -73.4 -34.6 8.2 19.3 -0.1 228 661 A C H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.681 106.4 58.1 -68.2 -25.3 6.5 16.8 2.4 229 662 A W T 3< S+ 0 0 4 -4,-0.9 2,-0.3 -5,-0.2 -1,-0.2 -0.038 72.7 137.2 -98.5 30.3 9.4 17.7 4.8 230 663 A D < - 0 0 56 -3,-1.0 6,-0.1 1,-0.2 -54,-0.1 -0.601 58.1-135.8 -74.7 135.1 8.8 21.4 4.9 231 664 A Y S S+ 0 0 93 -2,-0.3 -69,-0.2 1,-0.1 -1,-0.2 0.907 95.5 73.1 -56.0 -40.8 9.1 22.6 8.5 232 665 A D S > S- 0 0 75 1,-0.2 3,-1.9 -3,-0.0 4,-0.4 -0.663 76.4-154.7 -77.3 108.9 5.9 24.6 7.9 233 666 A P G > S+ 0 0 26 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.790 92.8 62.4 -54.7 -29.1 3.0 22.0 7.8 234 667 A S G 3 S+ 0 0 106 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.696 97.5 57.7 -67.0 -24.8 1.0 24.4 5.6 235 668 A D G < S+ 0 0 98 -3,-1.9 -1,-0.2 -5,-0.1 -6,-0.1 0.488 86.5 94.0 -89.0 -1.6 3.6 24.2 2.9 236 669 A R S < S- 0 0 16 -3,-1.0 -8,-0.2 -4,-0.4 -61,-0.0 -0.604 81.4-111.8 -85.9 146.4 3.4 20.4 2.5 237 670 A P - 0 0 36 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.280 29.3-108.6 -73.4 163.9 1.0 19.0 -0.1 238 671 A R > - 0 0 128 1,-0.1 4,-2.4 -63,-0.0 3,-0.3 -0.646 24.7-118.6 -83.0 155.5 -2.2 17.1 0.7 239 672 A F H > S+ 0 0 0 -2,-0.2 4,-1.6 1,-0.2 -120,-0.3 0.838 114.6 63.4 -58.8 -36.9 -2.2 13.3 0.1 240 673 A T H > S+ 0 0 56 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.913 112.7 33.4 -53.5 -48.8 -5.1 14.0 -2.4 241 674 A E H > S+ 0 0 84 -3,-0.3 4,-1.9 1,-0.2 3,-0.3 0.802 110.4 64.4 -79.2 -31.6 -2.8 16.1 -4.6 242 675 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.798 95.2 61.2 -62.9 -26.3 0.3 14.0 -3.8 243 676 A V H X S+ 0 0 27 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.928 106.3 45.8 -61.8 -47.4 -1.6 11.1 -5.6 244 677 A C H X S+ 0 0 88 -4,-0.6 4,-1.8 -3,-0.3 -2,-0.2 0.892 114.0 49.4 -60.0 -45.3 -1.6 13.3 -8.8 245 678 A S H X S+ 0 0 39 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.922 115.0 42.4 -61.2 -50.4 2.1 14.1 -8.2 246 679 A L H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.767 111.0 55.8 -69.6 -31.7 3.1 10.4 -7.6 247 680 A S H X S+ 0 0 38 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.874 108.9 48.3 -66.8 -38.2 0.9 9.2 -10.6 248 681 A D H X S+ 0 0 93 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.927 112.8 47.6 -65.6 -43.8 2.9 11.7 -12.8 249 682 A V H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.901 111.8 51.1 -61.7 -44.1 6.2 10.3 -11.4 250 683 A Y H X S+ 0 0 52 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.895 110.2 48.7 -60.8 -44.8 4.9 6.7 -12.0 251 684 A Q H X S+ 0 0 96 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.846 111.6 49.4 -65.2 -35.9 4.0 7.5 -15.7 252 685 A M H X S+ 0 0 67 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.875 113.1 46.9 -69.8 -38.2 7.5 9.1 -16.2 253 686 A E H X S+ 0 0 33 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.811 111.2 51.4 -72.5 -30.7 9.2 6.0 -14.7 254 687 A K H < S+ 0 0 117 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.908 110.8 48.8 -70.0 -40.9 7.0 3.8 -16.8 255 688 A D H < S+ 0 0 134 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.823 112.8 47.8 -65.5 -37.0 8.0 5.8 -20.0 256 689 A I H < 0 0 131 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.953 360.0 360.0 -68.5 -52.4 11.8 5.5 -19.0 257 690 A A < 0 0 103 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.913 360.0 360.0 -75.1 360.0 11.5 1.7 -18.3