==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 28-FEB-13 4JG8 . COMPND 2 MOLECULE: RIBOSOMAL PROTEIN S6 KINASE ALPHA-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.M.MILLER,V.O.PAAVILAINEN,S.KRISHNAN,I.M.SERAFIMOVA,J.TAUNT . 300 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 201 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 24 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 0 0 0 3 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 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 . 2 1 1 0 1 2 0 1 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 . 1 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 1 415 A S 0 0 162 0, 0.0 68,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-116.4 20.5 19.1 1.4 2 416 A I - 0 0 66 1,-0.1 2,-0.3 2,-0.0 68,-0.2 0.367 360.0 -98.3 -87.6-136.6 20.8 21.2 4.6 3 417 A Q - 0 0 35 1,-0.1 4,-0.3 66,-0.1 3,-0.1 -0.991 9.8-125.8-153.6 158.0 21.4 19.9 8.1 4 418 A F S >> S+ 0 0 5 -2,-0.3 3,-2.7 1,-0.2 4,-1.6 0.962 105.1 54.2 -70.5 -56.0 19.5 18.9 11.3 5 419 A T T 34 S+ 0 0 84 1,-0.3 -1,-0.2 2,-0.2 5,-0.0 0.728 97.0 71.0 -54.3 -22.4 21.3 21.0 13.9 6 420 A D T 34 S+ 0 0 117 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.777 115.6 20.9 -65.2 -26.4 20.6 24.0 11.7 7 421 A G T <4 S+ 0 0 16 -3,-2.7 21,-1.7 -4,-0.3 22,-0.4 0.508 121.2 58.1-120.1 -10.5 16.9 23.8 12.6 8 422 A Y E < -A 27 0A 10 -4,-1.6 2,-0.6 19,-0.2 19,-0.2 -0.948 60.9-146.3-129.4 146.1 16.8 21.8 15.8 9 423 A E E -A 26 0A 85 17,-1.5 17,-1.3 -2,-0.4 2,-0.1 -0.939 26.5-134.2-110.5 112.6 18.3 22.1 19.3 10 424 A V E +A 25 0A 62 -2,-0.6 15,-0.2 15,-0.2 2,-0.1 -0.349 29.7 173.6 -67.1 141.9 19.2 18.8 20.9 11 425 A K E - 0 0 65 13,-2.8 -1,-0.1 1,-0.4 14,-0.1 -0.365 41.5 -30.8-125.3-152.4 18.1 18.2 24.5 12 426 A E E - 0 0 101 -2,-0.1 12,-2.9 11,-0.1 -1,-0.4 -0.113 68.6 -99.2 -66.0 165.6 18.2 15.2 26.9 13 427 A D E -A 23 0A 79 10,-0.3 10,-0.3 1,-0.1 -1,-0.1 -0.310 24.7-170.3 -81.2 167.1 17.9 11.6 25.8 14 428 A I E S- 0 0 95 8,-3.4 2,-0.3 1,-0.2 9,-0.2 0.617 74.1 -5.2-123.5 -43.5 14.7 9.5 25.9 15 429 A G E -A 22 0A 38 7,-1.4 7,-1.5 2,-0.0 2,-0.6 -0.826 59.5-152.2-161.2 118.1 15.9 6.0 25.1 16 430 A V E -A 21 0A 106 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.829 19.6-175.9 -98.5 116.4 19.3 4.8 24.1 17 431 A G - 0 0 42 3,-1.9 -2,-0.0 -2,-0.6 5,-0.0 -0.537 38.7-109.8-102.6 172.0 19.4 1.6 21.9 18 432 A S S S+ 0 0 117 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.854 117.9 19.1 -68.0 -35.3 22.3 -0.4 20.6 19 433 A Y S S+ 0 0 134 1,-0.0 21,-1.8 24,-0.0 2,-0.2 0.773 130.8 29.3-105.4 -37.2 21.7 0.7 17.0 20 434 A S E - B 0 39A 16 19,-0.2 -3,-1.9 23,-0.1 2,-0.3 -0.649 60.6-152.6-121.0 176.1 19.6 3.9 17.4 21 435 A V E -AB 16 38A 35 17,-1.0 17,-3.3 -5,-0.2 2,-0.4 -0.990 4.3-151.6-150.3 145.3 19.1 6.7 19.9 22 436 A C E +AB 15 37A 35 -7,-1.5 -8,-3.4 -2,-0.3 -7,-1.4 -0.980 20.0 169.8-125.6 125.6 16.2 9.0 20.8 23 437 A K E -AB 13 36A 55 13,-2.4 13,-2.8 -2,-0.4 2,-0.3 -0.927 36.0-108.4-131.5 154.7 16.5 12.5 22.2 24 438 A R E + B 0 35A 56 -12,-2.9 -13,-2.8 -2,-0.3 2,-0.3 -0.664 42.3 177.3 -81.0 134.8 14.2 15.5 22.8 25 439 A C E -AB 10 34A 0 9,-2.1 9,-3.5 -2,-0.3 2,-0.4 -0.920 21.9-137.4-136.3 163.0 14.8 18.4 20.4 26 440 A I E -AB 9 33A 29 -17,-1.3 -17,-1.5 -2,-0.3 2,-0.9 -0.976 20.6-125.5-129.1 121.4 13.2 21.8 19.8 27 441 A H E >>> -AB 8 32A 50 5,-2.4 4,-3.2 -2,-0.4 3,-1.0 -0.492 24.6-151.1 -62.8 102.5 12.4 23.3 16.4 28 442 A K T 345S+ 0 0 110 -21,-1.7 -1,-0.2 -2,-0.9 -20,-0.1 0.862 89.7 51.8 -45.3 -49.9 14.3 26.6 16.8 29 443 A A T 345S+ 0 0 85 -22,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.836 126.5 22.3 -60.9 -36.3 12.0 28.6 14.5 30 444 A T T <45S- 0 0 69 -3,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.535 91.4-133.9-110.8 -11.4 8.8 27.6 16.2 31 445 A N T <5 + 0 0 131 -4,-3.2 2,-0.6 1,-0.2 -3,-0.2 0.580 58.4 142.5 64.3 9.2 10.1 26.6 19.7 32 446 A M E < -B 27 0A 108 -5,-0.6 -5,-2.4 -6,-0.1 -1,-0.2 -0.727 46.3-135.5 -84.8 122.5 7.9 23.5 19.4 33 447 A E E +B 26 0A 58 -2,-0.6 48,-0.4 -7,-0.3 -7,-0.3 -0.424 30.5 165.0 -79.7 151.2 9.6 20.5 20.9 34 448 A F E -B 25 0A 24 -9,-3.5 -9,-2.1 46,-0.1 2,-0.4 -0.758 36.6 -97.0-143.7-170.5 9.7 17.1 19.2 35 449 A A E -BC 24 79A 11 44,-2.9 44,-3.4 -2,-0.2 2,-0.5 -0.986 30.3-163.2-121.0 132.7 11.5 13.7 19.4 36 450 A V E -BC 23 78A 1 -13,-2.8 -13,-2.4 -2,-0.4 2,-0.6 -0.965 5.8-153.5-120.3 126.3 14.4 12.9 17.1 37 451 A K E -BC 22 77A 12 40,-2.3 40,-2.9 -2,-0.5 2,-0.7 -0.868 6.6-158.5-100.1 121.4 15.7 9.4 16.5 38 452 A I E -BC 21 76A 23 -17,-3.3 -17,-1.0 -2,-0.6 2,-0.5 -0.875 11.0-169.8-102.4 110.4 19.4 9.1 15.5 39 453 A I E -BC 20 75A 0 36,-2.1 36,-1.5 -2,-0.7 2,-1.1 -0.857 22.5-131.1-104.8 131.4 20.1 5.9 13.7 40 454 A D E >> - C 0 74A 25 -21,-1.8 4,-2.3 -2,-0.5 3,-2.1 -0.686 15.6-163.1 -81.6 100.6 23.7 4.7 12.9 41 455 A K T 34 S+ 0 0 78 32,-1.1 -1,-0.2 -2,-1.1 33,-0.1 0.813 88.0 61.4 -53.1 -33.8 23.5 3.8 9.3 42 456 A S T 34 S+ 0 0 84 31,-0.5 -1,-0.3 1,-0.2 3,-0.1 0.731 113.9 34.6 -67.9 -22.1 26.8 1.9 9.7 43 457 A K T <4 S+ 0 0 134 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.726 131.3 10.6-102.4 -29.8 25.1 -0.4 12.2 44 458 A R < - 0 0 43 -4,-2.3 -1,-0.3 -25,-0.2 -5,-0.0 -0.997 66.4-122.9-152.4 147.0 21.6 -0.6 10.7 45 459 A D - 0 0 104 -2,-0.3 4,-0.3 1,-0.1 3,-0.3 -0.835 20.9-171.0 -93.7 111.2 19.7 0.4 7.6 46 460 A P > + 0 0 4 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.336 59.2 100.2 -85.5 7.3 16.8 2.7 8.6 47 461 A T H > S+ 0 0 80 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.981 79.5 48.7 -54.8 -66.9 15.2 2.7 5.2 48 462 A E H > S+ 0 0 35 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.862 113.4 48.9 -39.8 -50.9 12.5 0.1 5.9 49 463 A E H > S+ 0 0 2 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.923 113.4 44.1 -61.1 -48.7 11.5 1.9 9.1 50 464 A I H X S+ 0 0 25 -4,-2.2 4,-2.9 -3,-0.3 5,-0.3 0.922 107.6 58.3 -64.9 -45.7 11.2 5.4 7.5 51 465 A E H X S+ 0 0 43 -4,-2.8 4,-1.7 1,-0.3 -1,-0.2 0.882 110.5 45.3 -50.4 -40.3 9.4 4.2 4.4 52 466 A I H X S+ 0 0 3 -4,-1.6 4,-2.3 -5,-0.3 5,-0.5 0.871 111.7 51.2 -72.0 -38.2 6.7 2.9 6.8 53 467 A L H X S+ 0 0 6 -4,-1.9 4,-0.6 1,-0.2 12,-0.5 0.829 110.6 50.0 -67.9 -32.3 6.8 6.1 8.9 54 468 A L H < S+ 0 0 115 -4,-2.9 -2,-0.2 2,-0.1 -1,-0.2 0.905 119.2 35.0 -72.0 -42.3 6.3 8.2 5.7 55 469 A R H < S+ 0 0 146 -4,-1.7 3,-0.4 -5,-0.3 -2,-0.2 0.960 133.3 21.6 -79.4 -54.6 3.4 6.2 4.4 56 470 A Y H >< S+ 0 0 7 -4,-2.3 3,-1.9 1,-0.2 -3,-0.2 0.449 96.1 93.3 -99.7 -2.5 1.4 5.1 7.4 57 471 A G T 3< S+ 0 0 2 -4,-0.6 5,-0.2 -5,-0.5 -1,-0.2 0.642 73.7 73.6 -63.6 -12.8 2.7 7.8 9.8 58 472 A Q T 3 S+ 0 0 172 -3,-0.4 -1,-0.3 -4,-0.1 -2,-0.1 0.702 70.1 109.7 -74.4 -20.1 -0.4 9.8 8.8 59 473 A H S X S- 0 0 35 -3,-1.9 3,-2.0 1,-0.1 -3,-0.0 -0.357 75.7-130.5 -59.8 132.7 -2.5 7.5 10.9 60 474 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.827 107.0 45.8 -57.3 -36.7 -3.9 9.3 13.9 61 475 A N T 3 S+ 0 0 19 47,-0.1 84,-1.6 83,-0.1 2,-0.4 -0.029 99.6 84.7 -98.7 29.2 -2.8 6.6 16.3 62 476 A I B < S-e 145 0B 2 -3,-2.0 84,-0.2 82,-0.2 82,-0.1 -0.991 93.6-101.0-130.4 125.5 0.6 6.2 14.7 63 477 A I - 0 0 11 82,-1.9 2,-0.3 -2,-0.4 -4,-0.1 -0.132 46.9-129.0 -44.0 128.2 3.6 8.4 15.8 64 478 A T - 0 0 36 -4,-0.1 16,-1.6 -6,-0.1 2,-0.4 -0.623 5.3-130.4 -92.8 142.8 3.9 11.0 13.0 65 479 A L E +D 79 0A 26 -12,-0.5 14,-0.2 -2,-0.3 3,-0.1 -0.775 26.0 173.9 -89.2 131.1 7.0 11.9 11.1 66 480 A K E - 0 0 102 12,-3.3 2,-0.3 -2,-0.4 13,-0.2 0.605 61.4 -15.2-112.9 -18.9 7.6 15.6 11.0 67 481 A D E -D 78 0A 52 11,-1.4 11,-2.0 2,-0.0 -1,-0.4 -0.958 54.0-151.5-176.9 162.2 11.0 15.9 9.3 68 482 A V E -D 77 0A 49 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.990 8.8-177.1-147.2 152.4 14.2 13.9 8.4 69 483 A Y E -D 76 0A 56 7,-1.7 7,-0.9 -2,-0.3 2,-0.2 -0.912 8.7-167.7-142.6 171.0 17.9 14.5 7.8 70 484 A D E -D 75 0A 83 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.610 10.1-179.7-166.7 97.0 21.0 12.6 6.7 71 485 A D - 0 0 92 3,-0.6 2,-0.8 -2,-0.2 4,-0.1 0.065 63.7 -99.7 -88.0 25.3 24.5 14.0 7.1 72 486 A G S S+ 0 0 45 2,-0.4 -1,-0.1 1,-0.2 3,-0.1 -0.294 116.4 55.6 92.1 -49.7 25.9 10.8 5.5 73 487 A K S S+ 0 0 141 -2,-0.8 -32,-1.1 -32,-0.1 -31,-0.5 0.953 114.6 16.5 -83.1 -55.1 26.8 9.0 8.7 74 488 A Y E -C 40 0A 83 -34,-0.2 -3,-0.6 -33,-0.1 2,-0.4 -0.620 67.4-131.8-113.4 173.4 23.6 9.1 10.7 75 489 A V E -CD 39 70A 5 -36,-1.5 -36,-2.1 -2,-0.2 2,-0.7 -0.985 13.5-151.1-130.4 122.3 19.9 9.6 10.0 76 490 A Y E -CD 38 69A 32 -7,-0.9 -7,-1.7 -2,-0.4 2,-0.8 -0.826 8.0-167.1 -97.7 113.8 17.8 12.0 12.1 77 491 A V E -CD 37 68A 0 -40,-2.9 -40,-2.3 -2,-0.7 2,-1.0 -0.835 7.3-157.7-103.9 98.8 14.1 11.0 12.2 78 492 A V E +CD 36 67A 0 -11,-2.0 -12,-3.3 -2,-0.8 -11,-1.4 -0.650 25.7 164.1 -80.6 103.3 12.2 13.9 13.7 79 493 A M E -CD 35 65A 13 -44,-3.4 -44,-2.9 -2,-1.0 -14,-0.2 -0.599 43.7 -77.1-112.3 174.9 8.9 12.5 15.1 80 494 A E - 0 0 22 -16,-1.6 -46,-0.1 -46,-0.2 2,-0.1 -0.513 47.0-121.9 -76.0 139.0 6.3 13.8 17.4 81 495 A L - 0 0 32 -48,-0.4 2,-0.7 -2,-0.2 -46,-0.1 -0.446 16.5-128.8 -78.9 153.3 7.1 13.7 21.2 82 496 A M > + 0 0 33 -2,-0.1 3,-0.8 1,-0.1 52,-0.2 -0.857 24.1 178.3-109.5 100.8 4.9 11.9 23.6 83 497 A K T 3 S+ 0 0 117 51,-2.7 51,-0.2 -2,-0.7 52,-0.1 -0.114 74.7 64.7 -90.5 37.4 3.9 14.0 26.6 84 498 A G T 3 S- 0 0 5 49,-1.2 -1,-0.2 -2,-0.1 50,-0.2 0.352 89.4-141.6-137.6 0.5 1.8 11.2 28.1 85 499 A G < - 0 0 33 -3,-0.8 48,-2.4 48,-0.3 2,-0.1 0.006 56.2 -14.1 62.8-172.7 4.3 8.5 29.0 86 500 A E B > -F 132 0B 33 46,-0.2 4,-2.1 1,-0.1 46,-0.3 -0.381 58.8-141.3 -63.9 133.2 3.7 4.8 28.6 87 501 A L H > S+ 0 0 0 44,-3.3 4,-2.0 41,-0.4 5,-0.2 0.927 98.1 45.7 -62.3 -47.8 0.1 3.9 28.0 88 502 A L H > S+ 0 0 2 43,-0.5 4,-3.2 40,-0.4 5,-0.3 0.969 113.0 47.6 -62.0 -56.4 0.1 0.7 30.1 89 503 A D H > S+ 0 0 23 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.918 111.6 51.4 -52.6 -49.3 2.0 2.2 33.1 90 504 A K H < S+ 0 0 95 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.917 113.4 45.0 -53.8 -46.8 -0.3 5.2 33.2 91 505 A I H >< S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.2 6,-0.2 0.908 108.5 55.6 -65.8 -43.6 -3.4 3.0 33.1 92 506 A L H 3< S+ 0 0 6 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.762 103.0 59.1 -59.8 -24.2 -2.0 0.7 35.8 93 507 A R T 3< S+ 0 0 141 -4,-1.5 2,-0.7 -3,-0.3 -1,-0.3 0.133 83.3 92.3 -93.6 19.7 -1.6 3.8 37.9 94 508 A Q X - 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0 0 27 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.239 15.6-135.0 -59.7 145.0 -16.4 -10.1 32.9 236 650 A D H > S+ 0 0 129 2,-0.2 4,-2.3 1,-0.2 -1,-0.1 0.804 109.5 59.7 -68.3 -29.4 -16.5 -13.6 31.3 237 651 A T H > S+ 0 0 64 2,-0.2 4,-1.6 1,-0.2 27,-0.3 0.930 107.4 44.5 -61.5 -45.5 -16.9 -11.8 28.0 238 652 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.917 112.7 50.8 -65.1 -44.7 -13.5 -10.0 28.7 239 653 A K H X S+ 0 0 24 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.862 106.1 56.7 -62.0 -36.8 -11.9 -13.3 29.8 240 654 A D H X S+ 0 0 61 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.914 106.9 48.8 -60.4 -44.1 -13.1 -15.0 26.7 241 655 A L H >X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.2 3,-0.8 0.936 109.5 51.0 -61.9 -49.0 -11.3 -12.5 24.5 242 656 A V H >X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.3 3,-0.7 0.909 105.4 55.8 -56.6 -46.6 -8.0 -12.7 26.4 243 657 A S H 3< S+ 0 0 35 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.781 110.4 46.3 -58.8 -28.1 -7.9 -16.5 26.1 244 658 A K H << S+ 0 0 74 -4,-1.0 10,-1.9 -3,-0.8 -1,-0.3 0.663 111.5 50.2 -90.9 -18.9 -8.2 -16.2 22.3 245 659 A M H << S+ 0 0 0 -4,-1.3 -54,-0.3 -3,-0.7 -2,-0.2 0.825 115.1 42.8 -83.9 -35.9 -5.6 -13.5 22.0 246 660 A L S < S+ 0 0 2 -4,-2.6 -1,-0.2 -5,-0.2 2,-0.2 0.123 83.7 149.1 -93.9 19.8 -3.1 -15.4 24.0 247 661 A H - 0 0 58 -3,-0.2 6,-0.1 1,-0.1 -3,-0.1 -0.374 48.3-138.5 -60.0 123.2 -4.0 -18.6 22.2 248 662 A V S S+ 0 0 82 -26,-0.2 -1,-0.1 -2,-0.2 5,-0.1 0.872 90.3 65.1 -53.6 -44.9 -0.9 -20.8 22.1 249 663 A D S > S- 0 0 46 1,-0.2 3,-1.1 3,-0.1 4,-0.2 -0.736 72.8-156.5 -84.8 112.1 -1.5 -21.9 18.6 250 664 A P G > S+ 0 0 36 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.784 92.7 61.2 -59.5 -28.1 -1.2 -18.8 16.3 251 665 A H G 3 S+ 0 0 149 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.850 110.6 39.3 -65.9 -34.8 -3.4 -20.6 13.7 252 666 A Q G < S+ 0 0 132 -3,-1.1 2,-0.3 2,-0.1 -1,-0.3 0.228 97.6 109.4 -97.5 12.2 -6.2 -20.7 16.2 253 667 A R S < S- 0 0 23 -3,-1.0 -8,-0.2 -4,-0.2 -9,-0.1 -0.696 78.0-102.0 -92.1 141.7 -5.4 -17.3 17.5 254 668 A L - 0 0 28 -10,-1.9 2,-0.2 -2,-0.3 -1,-0.1 -0.253 32.1-133.8 -61.8 145.0 -7.7 -14.3 16.8 255 669 A T > - 0 0 71 1,-0.1 4,-3.0 -68,-0.1 5,-0.3 -0.611 29.5-101.7 -93.8 160.6 -6.8 -11.9 14.1 256 670 A A H > S+ 0 0 4 1,-0.2 4,-1.7 -2,-0.2 -142,-0.1 0.894 125.5 47.5 -46.3 -46.3 -6.9 -8.1 14.5 257 671 A A H > S+ 0 0 42 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.946 111.3 48.6 -62.3 -51.3 -10.2 -8.1 12.5 258 672 A L H 4 S+ 0 0 75 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.874 108.8 54.9 -57.9 -39.4 -11.7 -11.0 14.4 259 673 A V H >< S+ 0 0 2 -4,-3.0 3,-1.1 1,-0.2 6,-0.2 0.890 105.1 53.3 -60.6 -39.4 -10.8 -9.3 17.7 260 674 A L H 3< S+ 0 0 19 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.742 105.6 53.5 -70.0 -23.0 -12.7 -6.2 16.6 261 675 A R T 3< S+ 0 0 194 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.511 85.0 115.3 -87.5 -5.3 -15.8 -8.3 15.9 262 676 A H S X> S- 0 0 15 -3,-1.1 4,-2.8 -4,-0.4 3,-1.5 -0.392 74.4-125.9 -67.9 140.8 -15.6 -9.7 19.4 263 677 A P H 3> S+ 0 0 61 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.794 107.6 63.7 -59.5 -33.0 -18.6 -8.7 21.7 264 678 A W H 34 S+ 0 0 1 -27,-0.3 -26,-0.1 1,-0.2 -161,-0.1 0.765 115.8 32.6 -63.1 -24.8 -16.4 -7.2 24.4 265 679 A I H X4 S+ 0 0 6 -3,-1.5 3,-0.6 -6,-0.2 -1,-0.2 0.785 125.0 43.9 -96.8 -37.8 -15.3 -4.7 21.8 266 680 A V H 3< S+ 0 0 68 -4,-2.8 2,-1.4 1,-0.2 3,-0.4 0.987 119.4 38.8 -69.8 -61.7 -18.6 -4.4 19.9 267 681 A H T >< S+ 0 0 86 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 -0.357 73.8 140.1 -89.1 55.9 -21.0 -4.3 22.9 268 682 A W G X + 0 0 130 -2,-1.4 3,-2.3 -3,-0.6 -1,-0.2 0.816 59.9 70.0 -67.1 -32.4 -18.7 -2.1 25.0 269 683 A D G 3 S+ 0 0 87 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.624 93.8 58.9 -63.3 -11.7 -21.6 -0.0 26.2 270 684 A Q G < S+ 0 0 139 -3,-1.2 -1,-0.3 -6,-0.1 -2,-0.2 0.183 86.4 105.9-101.8 15.2 -22.6 -3.1 28.2 271 685 A L S < S- 0 0 10 -3,-2.3 -171,-0.1 1,-0.1 -173,-0.0 -0.641 79.7 -91.1 -96.1 154.5 -19.3 -3.2 30.1 272 686 A P - 0 0 19 0, 0.0 -172,-1.4 0, 0.0 -173,-0.5 -0.199 25.0-166.5 -61.8 151.3 -18.8 -2.2 33.8 273 687 A Q + 0 0 131 -174,-0.2 2,-0.1 -175,-0.2 -175,-0.1 0.390 58.6 99.2-117.0 -3.9 -17.9 1.4 34.7 274 688 A Y S S- 0 0 149 1,-0.2 -175,-0.4 -177,-0.1 -174,-0.1 -0.465 87.6 -79.1 -81.3 158.3 -16.9 0.7 38.3 275 689 A Q - 0 0 102 -177,-0.1 2,-0.2 -2,-0.1 -177,-0.2 -0.088 46.0-121.4 -55.4 152.9 -13.3 0.3 39.3 276 690 A L - 0 0 9 -179,-1.2 2,-1.0 -181,-0.2 -1,-0.1 -0.584 17.4-117.4 -91.2 158.7 -11.5 -3.0 38.7 277 691 A N + 0 0 89 -47,-0.3 2,-0.2 -2,-0.2 -44,-0.2 -0.799 57.5 151.7 -96.3 93.0 -9.9 -5.1 41.4 278 692 A R - 0 0 33 -2,-1.0 2,-0.3 -183,-0.2 -78,-0.3 -0.674 49.6 -97.8-119.7 170.2 -6.2 -5.1 40.3 279 693 A Q - 0 0 55 -80,-2.2 2,-0.9 -2,-0.2 -2,-0.0 -0.717 27.7-140.6 -86.1 139.6 -2.7 -5.3 41.7 280 694 A D + 0 0 98 -2,-0.3 3,-0.1 1,-0.1 -80,-0.1 -0.621 64.0 112.2-103.2 73.2 -1.0 -2.0 42.3 281 695 A A > + 0 0 18 -2,-0.9 4,-2.6 -81,-0.4 5,-0.2 -0.448 25.8 158.3-139.7 63.2 2.6 -2.8 41.3 282 696 A P H > S+ 0 0 11 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.886 78.6 45.7 -56.5 -45.3 3.2 -0.8 38.1 283 697 A H H > S+ 0 0 137 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.912 111.1 52.5 -67.0 -43.7 7.0 -0.9 38.4 284 698 A L H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.931 109.6 49.9 -56.1 -46.6 7.0 -4.6 39.2 285 699 A V H X S+ 0 0 6 -4,-2.6 4,-3.5 1,-0.2 -1,-0.2 0.893 104.5 59.3 -58.7 -40.9 5.0 -5.2 36.1 286 700 A K H X S+ 0 0 80 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.892 109.9 42.4 -55.9 -42.6 7.5 -3.1 34.1 287 701 A G H X S+ 0 0 14 -4,-1.8 4,-2.9 -3,-0.2 -2,-0.2 0.942 115.3 47.6 -69.2 -49.6 10.2 -5.5 35.1 288 702 A A H X S+ 0 0 1 -4,-2.6 4,-1.0 -82,-0.3 -2,-0.2 0.877 113.0 51.5 -57.7 -38.6 8.2 -8.6 34.5 289 703 A M H >X S+ 0 0 10 -4,-3.5 4,-1.6 -5,-0.2 3,-0.9 0.958 113.8 41.3 -63.8 -52.5 7.1 -7.1 31.2 290 704 A A H 3X S+ 0 0 62 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.835 108.8 62.4 -63.5 -32.8 10.7 -6.4 30.1 291 705 A A H 3X S+ 0 0 15 -4,-2.9 4,-0.8 2,-0.2 -1,-0.2 0.776 106.7 46.4 -64.1 -26.3 11.7 -9.8 31.5 292 706 A T H XX S+ 0 0 3 -4,-1.0 4,-1.5 -3,-0.9 3,-1.1 0.978 111.2 43.8 -79.5 -67.5 9.4 -11.4 29.0 293 707 A Y H 3X S+ 0 0 13 -4,-1.6 4,-2.3 1,-0.3 -2,-0.2 0.794 110.7 60.0 -51.4 -31.0 10.1 -9.8 25.7 294 708 A S H 3< S+ 0 0 77 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.920 103.5 49.5 -62.2 -44.1 13.8 -10.1 26.6 295 709 A A H << S+ 0 0 5 -3,-1.1 3,-0.5 -4,-0.8 -2,-0.2 0.812 113.3 47.2 -65.6 -31.2 13.5 -13.9 26.8 296 710 A L H >< S+ 0 0 73 -4,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.851 113.2 47.2 -77.3 -36.2 11.7 -13.9 23.4 297 711 A N G >< S+ 0 0 69 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.214 77.1 106.9 -92.2 15.3 14.3 -11.6 21.7 298 712 A R G 3 S+ 0 0 159 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.659 84.5 46.5 -68.6 -14.7 17.3 -13.6 23.1 299 713 A N G < 0 0 146 -3,-0.6 -1,-0.3 -4,-0.1 -2,-0.1 -0.281 360.0 360.0-118.8 45.7 17.8 -14.9 19.5 300 714 A Q < 0 0 118 -3,-1.3 -3,-0.0 0, 0.0 0, 0.0 -0.532 360.0 360.0-130.0 360.0 17.5 -11.5 17.7