==== 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 27-JUL-07 2QR8 . COMPND 2 MOLECULE: RIBOSOMAL PROTEIN S6 KINASE ALPHA-3; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR V.TERESHKO,M.MALAKHOVA,Z.DONG . 298 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14979.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 65.1 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 . 44 14.8 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 . 15 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 31.9 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+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 2 1 1 0 0 0 3 0 0 0 0 1 0 0 0 0 1 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 1 1 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 1 417 A Q 0 0 164 0, 0.0 4,-0.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 36.3 43.3 44.2 137.4 2 418 A F >> + 0 0 5 1,-0.2 4,-1.7 2,-0.1 3,-1.4 0.949 360.0 50.5 -63.0 -48.2 41.8 42.2 134.6 3 419 A T T 34 S+ 0 0 81 1,-0.3 -1,-0.2 2,-0.2 23,-0.1 0.689 95.2 69.3 -75.2 -14.3 44.2 43.7 132.2 4 420 A D T 34 S+ 0 0 119 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.806 116.4 25.4 -70.1 -25.9 47.3 42.9 134.3 5 421 A G T <4 S+ 0 0 21 -3,-1.4 21,-2.0 -4,-0.5 22,-0.6 0.654 124.2 47.3-107.0 -19.9 46.7 39.1 133.5 6 422 A Y E < -A 25 0A 9 -4,-1.7 2,-0.5 19,-0.2 19,-0.2 -0.962 63.6-142.8-132.0 140.0 44.8 39.2 130.1 7 423 A E E -A 24 0A 90 17,-2.4 17,-2.1 -2,-0.4 2,-0.2 -0.879 27.9-132.9 -98.5 124.0 45.3 41.0 126.8 8 424 A V E +A 23 0A 56 -2,-0.5 15,-0.2 15,-0.2 2,-0.1 -0.560 30.4 171.5 -81.3 138.6 41.9 42.1 125.2 9 425 A K E - 0 0 68 13,-2.7 -1,-0.1 1,-0.3 14,-0.1 -0.122 40.3 -25.8-122.1-136.3 41.3 41.4 121.5 10 426 A E E - 0 0 105 1,-0.1 12,-2.6 11,-0.1 -1,-0.3 -0.249 65.1 -91.5 -93.7 165.0 38.2 41.7 119.3 11 427 A D E -A 21 0A 87 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.436 28.3-176.7 -69.0 135.0 34.4 41.5 120.0 12 428 A I E S- 0 0 86 8,-3.4 2,-0.2 1,-0.4 9,-0.2 0.407 76.4 -12.4-100.0 -9.0 32.7 38.1 119.8 13 429 A G E -A 20 0A 37 7,-1.2 7,-3.4 2,-0.0 -1,-0.4 -0.728 64.5-162.9 166.5 132.3 29.3 39.5 120.4 14 430 A V E +A 19 0A 96 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.940 15.1 156.1-136.3 150.8 27.8 42.9 121.6 15 431 A G - 0 0 48 3,-1.0 -2,-0.0 -2,-0.3 0, 0.0 -0.943 56.5 -83.6-158.9-175.6 24.4 44.0 123.0 16 432 A S S S+ 0 0 107 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.582 123.0 35.9 -75.0 -8.6 22.8 46.8 125.2 17 433 A Y S S+ 0 0 146 1,-0.4 21,-1.3 20,-0.0 2,-0.3 0.702 123.8 3.0-119.1 -31.3 23.6 44.9 128.5 18 434 A S E - B 0 37A 34 19,-0.2 -3,-1.0 23,-0.1 2,-0.4 -0.969 57.2-138.3-152.8 163.1 27.1 43.2 128.2 19 435 A V E -AB 14 36A 42 17,-2.5 17,-3.8 -2,-0.3 2,-0.5 -0.994 11.4-151.6-128.5 138.2 29.9 42.8 125.6 20 436 A C E +AB 13 35A 34 -7,-3.4 -8,-3.4 -2,-0.4 -7,-1.2 -0.934 21.1 172.0-111.6 129.5 31.8 39.6 124.8 21 437 A K E -AB 11 34A 61 13,-2.8 13,-3.3 -2,-0.5 2,-0.3 -0.913 34.2-115.3-129.5 152.7 35.5 39.8 123.6 22 438 A R E - B 0 33A 52 -12,-2.6 -13,-2.7 -2,-0.3 2,-0.3 -0.657 40.2-178.6 -75.2 149.0 38.3 37.3 122.9 23 439 A C E -AB 8 32A 0 9,-2.5 9,-2.7 -2,-0.3 2,-0.4 -0.939 21.4-131.1-142.8 167.9 41.3 37.7 125.3 24 440 A I E -AB 7 31A 27 -17,-2.1 -17,-2.4 -2,-0.3 2,-0.9 -0.977 21.6-123.0-122.7 130.6 44.7 36.1 125.7 25 441 A H E >>> -AB 6 30A 46 5,-3.3 4,-2.8 -2,-0.4 3,-0.9 -0.632 24.3-151.5 -69.7 108.2 46.1 34.9 129.1 26 442 A K T 345S+ 0 0 102 -21,-2.0 -1,-0.2 -2,-0.9 -20,-0.1 0.849 90.5 51.2 -53.0 -38.3 49.3 37.0 129.1 27 443 A A T 345S+ 0 0 84 -22,-0.6 -1,-0.3 1,-0.2 -21,-0.1 0.853 126.8 19.3 -70.9 -32.6 51.2 34.4 131.2 28 444 A T T <45S- 0 0 81 -3,-0.9 -2,-0.2 2,-0.2 -1,-0.2 0.523 90.6-124.6-121.1 -8.8 50.4 31.3 129.0 29 445 A N T <5 + 0 0 131 -4,-2.8 2,-0.3 1,-0.2 -3,-0.1 0.788 61.3 146.7 58.6 28.3 49.3 32.6 125.5 30 446 A M E < -B 25 0A 104 -5,-0.6 -5,-3.3 1,-0.0 2,-0.3 -0.771 46.8-127.1 -90.3 140.6 46.1 30.6 125.9 31 447 A E E +B 24 0A 72 -2,-0.3 48,-0.5 -7,-0.2 2,-0.3 -0.696 34.6 166.7 -90.7 139.6 42.9 32.2 124.3 32 448 A F E -BC 23 78A 21 -9,-2.7 -9,-2.5 -2,-0.3 2,-0.4 -0.856 33.1-114.7-138.0 173.0 39.8 32.7 126.4 33 449 A A E -BC 22 77A 6 44,-2.3 44,-2.4 -2,-0.3 2,-0.5 -0.914 22.8-159.1-104.9 142.0 36.4 34.7 126.1 34 450 A V E -BC 21 76A 0 -13,-3.3 -13,-2.8 -2,-0.4 2,-0.6 -0.987 3.9-158.7-120.0 124.3 35.6 37.6 128.4 35 451 A K E -BC 20 75A 30 40,-2.2 40,-2.7 -2,-0.5 2,-0.6 -0.918 13.1-159.5 -92.1 117.6 31.9 38.7 129.0 36 452 A I E -BC 19 74A 22 -17,-3.8 -17,-2.5 -2,-0.6 2,-0.5 -0.900 8.1-166.7-105.9 114.7 32.1 42.3 130.2 37 453 A I E -BC 18 73A 0 36,-2.0 36,-1.9 -2,-0.6 2,-0.7 -0.858 21.4-129.9-106.4 127.2 28.9 43.3 132.1 38 454 A D E >> - C 0 72A 33 -21,-1.3 4,-2.3 -2,-0.5 3,-0.6 -0.645 15.5-157.7 -69.6 110.4 27.9 46.9 133.0 39 455 A K T 34 S+ 0 0 84 32,-2.7 -1,-0.2 -2,-0.7 33,-0.1 0.774 91.4 58.7 -65.3 -24.5 27.0 46.7 136.7 40 456 A S T 34 S+ 0 0 87 31,-0.5 -1,-0.2 1,-0.1 3,-0.1 0.863 113.4 37.6 -70.3 -34.8 24.9 49.9 136.4 41 457 A K T <4 S+ 0 0 131 -3,-0.6 2,-0.3 1,-0.2 -2,-0.2 0.872 129.1 9.4 -84.0 -36.1 22.7 48.3 133.6 42 458 A R < - 0 0 57 -4,-2.3 -1,-0.2 -25,-0.2 -5,-0.0 -0.984 62.3-126.7-152.2 150.0 22.5 44.7 135.0 43 459 A D > - 0 0 117 -2,-0.3 3,-0.6 1,-0.1 4,-0.3 -0.832 21.2-178.4-108.5 101.8 23.3 42.5 138.1 44 460 A P T 3> + 0 0 4 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.318 50.5 108.0 -82.5 6.1 25.3 39.5 137.1 45 461 A T H 3> S+ 0 0 71 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.887 80.9 48.5 -52.7 -44.4 25.5 37.9 140.6 46 462 A E H <> S+ 0 0 35 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.944 112.7 47.7 -64.5 -48.5 23.1 35.0 139.7 47 463 A E H > S+ 0 0 5 -4,-0.3 4,-2.3 2,-0.2 5,-0.2 0.935 114.6 45.8 -56.6 -48.7 25.0 34.2 136.5 48 464 A I H X S+ 0 0 24 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.959 112.2 50.4 -66.8 -47.7 28.4 34.2 138.2 49 465 A E H X S+ 0 0 72 -4,-2.7 4,-2.5 -5,-0.3 5,-0.3 0.930 111.2 50.5 -49.9 -49.4 27.1 32.1 141.1 50 466 A I H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.944 110.7 47.0 -59.2 -48.5 25.6 29.6 138.6 51 467 A L H X S+ 0 0 8 -4,-2.3 4,-1.4 1,-0.2 12,-0.4 0.852 114.1 49.2 -66.0 -29.4 28.8 29.3 136.6 52 468 A L H < S+ 0 0 104 -4,-2.1 4,-0.2 -5,-0.2 -1,-0.2 0.923 118.0 37.9 -73.6 -44.5 30.9 28.8 139.8 53 469 A R H < S+ 0 0 135 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.920 135.0 18.4 -75.3 -39.3 28.6 26.2 141.3 54 470 A Y H >< S+ 0 0 7 -4,-2.6 3,-1.7 -5,-0.3 -3,-0.2 0.466 92.8 93.4-117.8 -4.3 27.8 24.3 138.1 55 471 A G T 3< S+ 0 0 1 -4,-1.4 5,-0.3 -5,-0.3 -1,-0.1 0.678 70.8 77.9 -76.6 -12.9 30.4 25.1 135.3 56 472 A Q T 3 + 0 0 177 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.615 69.5 112.7 -63.8 -12.5 32.6 22.1 136.3 57 473 A H S X S- 0 0 37 -3,-1.7 3,-1.4 1,-0.2 -3,-0.0 -0.482 79.1-129.2 -58.9 134.9 29.9 20.2 134.3 58 474 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.728 105.3 41.0 -62.2 -22.1 31.7 18.9 131.2 59 475 A N T 3 S+ 0 0 17 2,-0.1 84,-3.1 47,-0.1 2,-0.4 0.140 97.9 83.8-116.3 18.2 28.9 20.3 128.9 60 476 A I B < S-e 143 0B 1 -3,-1.4 84,-0.2 82,-0.3 82,-0.0 -0.943 97.5 -93.7-111.4 143.0 28.3 23.7 130.6 61 477 A I - 0 0 16 82,-2.4 2,-0.4 -2,-0.4 -4,-0.1 -0.306 46.4-124.6 -56.3 133.4 30.7 26.4 129.6 62 478 A T - 0 0 35 -4,-0.1 16,-1.7 -6,-0.1 2,-0.3 -0.669 12.5-134.7 -90.6 133.8 33.6 26.5 132.2 63 479 A L E +D 77 0A 29 -12,-0.4 14,-0.3 -2,-0.4 3,-0.1 -0.661 24.1 174.7 -80.4 134.7 34.5 29.7 134.2 64 480 A K E - 0 0 96 12,-3.2 2,-0.3 1,-0.4 13,-0.2 0.719 62.1 -7.9-114.1 -34.0 38.2 30.4 134.3 65 481 A D E -D 76 0A 57 11,-1.6 11,-2.6 2,-0.0 -1,-0.4 -0.989 51.5-155.4-157.1 154.1 38.4 33.8 136.1 66 482 A V E +D 75 0A 55 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.995 12.8 179.3-131.9 137.5 36.2 36.7 137.4 67 483 A Y E -D 74 0A 49 7,-2.1 7,-3.2 -2,-0.4 2,-0.3 -0.948 8.0-170.7-127.1 153.9 37.2 40.3 138.0 68 484 A D E -D 73 0A 82 -2,-0.3 5,-0.2 5,-0.3 -2,-0.0 -0.934 8.4-176.9-140.6 117.0 35.1 43.3 139.2 69 485 A D - 0 0 83 3,-1.7 2,-0.2 -2,-0.3 4,-0.1 0.079 62.4 -95.4-100.2 26.5 36.5 46.9 139.0 70 486 A G S S+ 0 0 50 2,-0.3 3,-0.1 1,-0.1 0, 0.0 -0.222 120.4 44.5 91.6 -42.6 33.4 48.4 140.7 71 487 A K S S+ 0 0 128 -2,-0.2 -32,-2.7 1,-0.2 -31,-0.5 0.827 115.3 32.7-107.6 -46.0 31.8 49.3 137.4 72 488 A Y E -C 38 0A 76 -34,-0.2 -3,-1.7 -33,-0.1 2,-0.4 -0.828 64.5-146.2-111.4 149.5 32.2 46.3 135.1 73 489 A V E -CD 37 68A 5 -36,-1.9 -36,-2.0 -2,-0.3 2,-0.5 -0.921 13.9-153.4-103.4 143.4 32.3 42.7 136.0 74 490 A Y E -CD 36 67A 38 -7,-3.2 -7,-2.1 -2,-0.4 2,-0.7 -0.942 8.2-169.6-119.1 110.1 34.6 40.6 133.7 75 491 A V E -CD 35 66A 2 -40,-2.7 -40,-2.2 -2,-0.5 2,-0.5 -0.855 7.3-162.1-103.8 105.3 33.6 36.9 133.4 76 492 A V E +CD 34 65A 0 -11,-2.6 -12,-3.2 -2,-0.7 -11,-1.6 -0.761 19.5 162.2 -93.9 128.6 36.4 34.9 131.7 77 493 A T E -CD 33 63A 14 -44,-2.4 -44,-2.3 -2,-0.5 -14,-0.2 -0.780 47.5 -69.7-133.2 175.4 35.4 31.5 130.3 78 494 A E E -C 32 0A 27 -16,-1.7 2,-0.5 -2,-0.2 -46,-0.2 -0.452 55.5-115.6 -67.5 143.3 36.7 29.0 127.8 79 495 A L - 0 0 21 -48,-0.5 2,-0.6 -2,-0.1 -1,-0.1 -0.707 20.3-132.5 -85.0 127.3 36.5 30.3 124.2 80 496 A M + 0 0 34 -2,-0.5 52,-0.2 1,-0.2 53,-0.2 -0.676 32.4 168.6 -81.8 121.7 34.1 28.4 122.0 81 497 A K + 0 0 114 51,-1.9 51,-0.2 -2,-0.6 52,-0.2 0.339 62.5 70.3-113.5 2.6 36.0 27.7 118.8 82 498 A G S S- 0 0 1 49,-2.4 50,-0.2 1,-0.2 51,-0.1 0.374 93.5-131.5-104.9 0.1 33.6 25.1 117.1 83 499 A G - 0 0 30 48,-0.4 48,-2.5 49,-0.1 -1,-0.2 -0.090 50.8 -24.4 78.6-178.5 30.7 27.5 116.3 84 500 A E B > -F 130 0B 33 46,-0.2 4,-2.1 1,-0.1 46,-0.3 -0.470 59.4-134.2 -73.5 141.0 27.1 27.1 117.0 85 501 A L H > S+ 0 0 0 44,-2.4 4,-2.5 41,-0.4 5,-0.2 0.941 100.5 45.5 -69.2 -45.0 26.0 23.5 117.3 86 502 A L H > S+ 0 0 2 43,-0.4 4,-2.6 40,-0.4 5,-0.2 0.921 110.0 54.5 -69.4 -38.9 22.9 23.5 115.1 87 503 A D H > S+ 0 0 27 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.932 111.2 44.6 -62.4 -46.7 24.6 25.5 112.4 88 504 A K H >< S+ 0 0 85 -4,-2.1 3,-0.8 1,-0.2 4,-0.3 0.957 114.3 49.4 -59.7 -50.4 27.5 22.9 112.1 89 505 A I H >< S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 6,-0.2 0.877 108.1 54.0 -56.1 -38.6 25.0 20.0 112.2 90 506 A L H 3< S+ 0 0 10 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.779 107.7 52.3 -69.3 -20.2 22.8 21.6 109.5 91 507 A R T << S+ 0 0 127 -4,-1.0 2,-0.8 -3,-0.8 -1,-0.2 0.382 87.0 91.8 -97.3 0.3 25.9 21.9 107.2 92 508 A Q X - 0 0 74 -3,-1.2 3,-1.6 -4,-0.3 -1,-0.1 -0.841 59.9-165.4 -94.4 101.8 26.8 18.1 107.6 93 509 A K T 3 S+ 0 0 122 -2,-0.8 -1,-0.1 1,-0.3 183,-0.1 0.739 84.3 50.0 -61.9 -22.5 25.0 16.4 104.7 94 510 A F T 3 S+ 0 0 152 179,-0.1 -1,-0.3 2,-0.0 181,-0.0 0.296 74.6 138.3-106.7 15.8 25.5 12.9 106.2 95 511 A F < - 0 0 4 -3,-1.6 179,-2.9 -6,-0.2 2,-0.3 -0.307 36.3-159.3 -58.5 140.7 24.2 13.5 109.7 96 512 A S > - 0 0 4 177,-0.2 4,-2.3 1,-0.1 3,-0.5 -0.805 32.3-107.4-125.1 157.4 21.9 10.6 111.0 97 513 A E H > S+ 0 0 5 175,-0.4 4,-2.3 -2,-0.3 5,-0.2 0.858 119.0 59.9 -50.0 -41.8 19.3 10.1 113.6 98 514 A R H > S+ 0 0 60 172,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.931 108.2 43.6 -59.0 -43.1 21.8 8.1 115.7 99 515 A E H > S+ 0 0 74 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.882 112.1 53.7 -66.9 -36.9 24.1 11.2 115.8 100 516 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.851 108.3 50.0 -67.6 -36.9 21.1 13.5 116.6 101 517 A S H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.915 109.1 50.4 -66.5 -44.5 20.1 11.2 119.5 102 518 A A H X S+ 0 0 39 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.897 112.5 49.5 -58.4 -37.7 23.6 11.3 121.0 103 519 A V H X S+ 0 0 4 -4,-1.9 4,-2.0 1,-0.2 5,-0.2 0.952 112.3 44.8 -70.1 -46.5 23.6 15.1 120.7 104 520 A L H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.906 110.3 56.4 -65.8 -38.5 20.2 15.5 122.4 105 521 A F H X S+ 0 0 90 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.960 108.3 47.2 -54.3 -51.1 21.2 13.0 125.1 106 522 A T H X S+ 0 0 17 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.915 117.4 42.0 -62.8 -40.5 24.3 15.0 126.0 107 523 A I H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.909 116.2 47.0 -74.6 -41.0 22.4 18.3 126.1 108 524 A T H X S+ 0 0 0 -4,-3.3 4,-2.7 -5,-0.2 -2,-0.2 0.911 107.3 57.6 -73.2 -35.4 19.3 16.9 127.9 109 525 A K H X S+ 0 0 96 -4,-2.9 4,-1.7 -5,-0.3 -1,-0.2 0.880 108.7 48.8 -52.6 -39.3 21.6 15.1 130.5 110 526 A T H X S+ 0 0 0 -4,-1.1 4,-2.2 -5,-0.3 -2,-0.2 0.896 111.9 46.0 -72.9 -40.1 23.0 18.6 131.3 111 527 A V H X S+ 0 0 3 -4,-1.7 4,-3.2 2,-0.2 5,-0.3 0.848 108.2 57.3 -71.1 -35.4 19.6 20.3 131.6 112 528 A E H X S+ 0 0 55 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.963 109.0 47.0 -58.5 -47.5 18.4 17.4 133.8 113 529 A Y H X S+ 0 0 89 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.938 113.1 48.2 -59.7 -48.8 21.3 18.1 136.2 114 530 A L H ><>S+ 0 0 4 -4,-2.2 5,-2.5 1,-0.2 3,-0.7 0.959 113.5 46.4 -61.2 -49.5 20.6 21.8 136.2 115 531 A H H ><5S+ 0 0 34 -4,-3.2 3,-2.2 1,-0.3 -1,-0.2 0.943 108.9 55.4 -60.2 -43.1 16.8 21.4 136.8 116 532 A A H 3<5S+ 0 0 45 -4,-2.8 47,-0.3 1,-0.3 -1,-0.3 0.780 108.1 50.3 -60.9 -25.4 17.5 18.8 139.6 117 533 A Q T <<5S- 0 0 52 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.348 125.6-102.3 -91.6 7.1 19.7 21.5 141.3 118 534 A G T < 5S+ 0 0 2 -3,-2.2 34,-3.0 1,-0.3 2,-0.5 0.621 80.4 130.7 82.3 11.8 17.0 24.2 141.0 119 535 A V E < -H 151 0C 0 -5,-2.5 2,-0.3 32,-0.2 -1,-0.3 -0.873 34.5-172.3 -99.0 130.5 18.5 26.0 138.0 120 536 A V E -H 150 0C 2 30,-1.8 30,-1.6 -2,-0.5 61,-0.1 -0.894 15.9-149.8-109.9 142.5 16.4 26.9 134.9 121 537 A H - 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0 0 4 3,-0.4 3,-0.2 -2,-0.3 -9,-0.1 -0.534 21.7-131.4 -89.9 143.7 12.2 25.1 112.1 201 617 A P S S+ 0 0 17 0, 0.0 22,-0.2 0, 0.0 -1,-0.1 0.771 98.4 26.2 -73.2 -22.9 8.7 24.1 113.3 202 618 A F S S+ 0 0 5 1,-0.2 2,-0.3 20,-0.1 14,-0.2 0.445 117.9 43.2-124.9 0.7 7.1 27.5 113.7 203 619 A A - 0 0 2 -3,-0.2 -3,-0.4 1,-0.1 -1,-0.2 -0.999 49.6-159.5-152.4 141.5 8.8 29.9 111.3 204 620 A N S S- 0 0 107 -2,-0.3 82,-0.2 1,-0.3 -1,-0.1 0.679 73.9 -31.4 -98.6 -19.2 10.0 29.7 107.7 205 621 A G S > S- 0 0 5 80,-0.2 3,-1.5 81,-0.2 -1,-0.3 -0.978 77.5 -66.1 179.8-177.9 12.6 32.6 107.8 206 622 A P T 3 S+ 0 0 67 0, 0.0 77,-0.0 0, 0.0 76,-0.0 0.628 120.7 57.6 -64.9 -17.3 13.5 36.0 109.3 207 623 A D T 3 S+ 0 0 152 2,-0.1 2,-0.1 3,-0.0 79,-0.1 0.381 72.3 119.8-104.7 5.7 10.6 37.9 107.8 208 624 A D S < S- 0 0 28 -3,-1.5 -5,-0.0 1,-0.1 3,-0.0 -0.450 72.6-113.4 -57.1 137.0 7.9 35.8 109.3 209 625 A T > - 0 0 60 1,-0.1 4,-1.9 -2,-0.1 5,-0.2 -0.500 15.1-120.8 -78.6 154.7 5.8 38.2 111.4 210 626 A P H > S+ 0 0 62 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.870 111.7 55.9 -62.0 -34.2 5.8 37.7 115.2 211 627 A E H > S+ 0 0 135 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.888 106.6 47.0 -68.4 -42.5 2.1 37.2 115.2 212 628 A E H > S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 112.6 50.2 -73.1 -32.7 2.1 34.3 112.7 213 629 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.963 113.7 45.5 -62.5 -51.4 4.9 32.6 114.5 214 630 A L H X S+ 0 0 51 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.864 108.3 57.6 -63.2 -31.2 3.0 32.9 117.8 215 631 A A H X S+ 0 0 67 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.970 109.0 45.5 -62.6 -47.5 -0.2 31.7 116.1 216 632 A R H X>S+ 0 0 74 -4,-2.0 4,-0.9 2,-0.2 5,-0.6 0.940 111.4 51.5 -60.9 -47.0 1.6 28.5 115.1 217 633 A I H ><5S+ 0 0 26 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.965 111.6 48.1 -55.3 -48.6 3.0 28.0 118.6 218 634 A G H 3<5S+ 0 0 57 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.784 99.6 67.6 -64.4 -27.4 -0.5 28.5 120.1 219 635 A S H 3<5S- 0 0 68 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.809 89.8-148.0 -60.3 -27.8 -2.0 26.0 117.6 220 636 A G T <<5 + 0 0 26 -3,-1.2 2,-0.3 -4,-0.9 26,-0.2 0.842 63.1 105.4 58.5 31.0 -0.1 23.1 119.3 221 637 A K < + 0 0 170 -5,-0.6 2,-0.3 24,-0.1 -1,-0.2 -0.999 36.5 156.4-142.6 141.1 0.2 21.4 115.8 222 638 A F - 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0 0 24 -2,-0.2 4,-1.3 1,-0.1 -1,-0.1 0.006 20.2-136.4 -39.6 146.5 11.6 7.2 113.0 234 650 A D H > S+ 0 0 129 2,-0.2 4,-3.1 3,-0.1 5,-0.2 0.848 109.0 57.3 -68.0 -40.0 8.1 7.3 114.6 235 651 A T H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 27,-0.3 0.909 106.3 48.4 -63.3 -36.7 9.9 7.2 117.9 236 652 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.936 112.8 47.8 -66.2 -43.3 11.7 10.4 117.0 237 653 A K H X S+ 0 0 26 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.900 110.6 53.0 -64.6 -39.3 8.4 12.0 115.8 238 654 A D H X S+ 0 0 63 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.956 110.1 47.2 -55.1 -51.8 6.8 10.9 119.1 239 655 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.937 112.9 48.7 -57.4 -49.5 9.6 12.5 121.2 240 656 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 3,-0.3 0.928 109.8 50.9 -61.3 -46.4 9.3 15.7 119.2 241 657 A S H < S+ 0 0 35 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.939 114.5 45.0 -59.8 -40.9 5.5 15.9 119.6 242 658 A K H < S+ 0 0 83 -4,-2.5 10,-2.0 1,-0.2 -1,-0.2 0.709 112.8 49.5 -79.7 -21.8 5.9 15.4 123.4 243 659 A M H < S+ 0 0 0 -4,-1.8 -54,-0.3 -3,-0.3 -1,-0.2 0.808 116.5 42.9 -78.8 -33.4 8.8 17.9 123.7 244 660 A L S < S+ 0 0 2 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.242 81.4 146.7 -97.4 13.7 6.8 20.6 121.8 245 661 A H - 0 0 54 1,-0.2 6,-0.2 -5,-0.1 -3,-0.1 -0.248 51.6-134.3 -52.2 134.3 3.5 19.8 123.5 246 662 A V S S+ 0 0 73 -26,-0.2 -1,-0.2 1,-0.1 -26,-0.1 0.814 90.8 66.4 -69.9 -28.7 1.6 23.1 123.8 247 663 A D S >> S- 0 0 53 1,-0.2 4,-1.6 -27,-0.1 3,-1.6 -0.826 73.1-152.6 -93.0 113.5 0.6 22.6 127.5 248 664 A P T 34 S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.820 94.1 64.1 -55.5 -29.0 3.7 22.7 129.7 249 665 A H T 34 S+ 0 0 152 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.858 111.6 35.2 -65.6 -30.0 1.9 20.4 132.2 250 666 A Q T <4 S+ 0 0 116 -3,-1.6 -1,-0.2 2,-0.1 -5,-0.1 0.635 94.9 105.8 -97.1 -14.8 1.9 17.6 129.6 251 667 A R S < S- 0 0 24 -4,-1.6 -8,-0.2 -6,-0.2 -9,-0.1 -0.305 81.8 -98.1 -62.2 147.8 5.2 18.4 128.0 252 668 A L - 0 0 24 -10,-2.0 2,-0.2 -13,-0.2 -1,-0.1 -0.305 30.5-131.6 -65.7 149.9 8.1 15.9 128.8 253 669 A T > - 0 0 72 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.583 29.9-105.8 -85.6 163.9 10.6 16.7 131.6 254 670 A A H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.919 125.9 54.4 -55.1 -43.0 14.3 16.3 130.9 255 671 A A H > S+ 0 0 43 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.931 110.3 45.2 -56.3 -44.6 14.0 13.2 133.1 256 672 A L H 4 S+ 0 0 93 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.803 108.6 55.9 -75.2 -29.4 11.2 11.9 130.9 257 673 A V H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 6,-0.3 0.934 105.6 52.6 -64.0 -43.3 13.1 12.7 127.6 258 674 A L H 3< S+ 0 0 19 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.735 107.8 51.3 -68.2 -20.4 16.1 10.6 128.7 259 675 A R T 3< S+ 0 0 193 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.521 85.7 113.5 -89.8 -5.2 13.8 7.6 129.4 260 676 A H S X> S- 0 0 14 -3,-1.3 4,-2.9 -4,-0.4 3,-1.2 -0.431 77.0-124.4 -69.1 140.3 12.3 7.9 125.9 261 677 A P H 3> S+ 0 0 64 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.714 108.3 64.1 -58.1 -25.2 13.1 5.0 123.6 262 678 A W H 34 S+ 0 0 0 -27,-0.3 -26,-0.1 2,-0.2 6,-0.1 0.840 116.1 30.9 -67.7 -31.6 14.6 7.3 120.9 263 679 A I H X4 S+ 0 0 8 -3,-1.2 3,-0.9 -6,-0.3 -1,-0.1 0.857 122.9 48.1 -87.4 -45.4 17.3 8.3 123.5 264 680 A V H 3< S+ 0 0 69 -4,-2.9 2,-0.7 1,-0.3 3,-0.3 0.962 116.1 41.9 -66.6 -48.8 17.5 5.0 125.4 265 681 A H T >< + 0 0 89 -4,-1.9 3,-1.8 1,-0.2 -1,-0.3 -0.331 68.0 145.5 -97.0 54.6 17.7 2.7 122.3 266 682 A W G X + 0 0 141 -3,-0.9 3,-1.3 -2,-0.7 -1,-0.2 0.806 68.0 64.7 -55.2 -32.8 20.2 4.8 120.3 267 683 A D G 3 S+ 0 0 86 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.625 95.1 58.8 -71.6 -10.4 21.7 1.6 118.9 268 684 A Q G < S+ 0 0 145 -3,-1.8 -1,-0.3 -6,-0.1 -2,-0.2 0.137 89.3 101.1-100.7 20.2 18.4 0.9 117.1 269 685 A L S < S- 0 0 11 -3,-1.3 -173,-0.0 1,-0.1 -3,-0.0 -0.802 83.3 -91.8-106.5 146.0 18.5 4.1 115.1 270 686 A P - 0 0 24 0, 0.0 -172,-1.9 0, 0.0 -1,-0.1 -0.184 24.4-166.6 -42.9 135.3 19.6 4.7 111.4 271 687 A Q + 0 0 140 -174,-0.1 3,-0.1 -173,-0.1 2,-0.1 0.455 64.0 94.5-100.6 -7.7 23.4 5.5 110.8 272 688 A Y S S- 0 0 153 1,-0.1 -175,-0.4 -177,-0.0 -174,-0.2 -0.352 91.2 -73.0 -82.4 168.9 22.6 6.6 107.2 273 689 A Q - 0 0 98 -177,-0.1 -177,-0.2 1,-0.1 -1,-0.1 -0.243 42.6-123.8 -71.2 142.9 22.0 10.3 106.3 274 690 A L - 0 0 15 -179,-2.9 2,-0.6 -3,-0.1 -1,-0.1 -0.255 24.4-117.3 -65.4 169.0 18.7 12.2 107.2 275 691 A N + 0 0 79 -47,-0.4 2,-0.3 -79,-0.3 -44,-0.1 -0.910 54.0 157.3-114.8 102.6 16.8 13.8 104.3 276 692 A R - 0 0 33 -2,-0.6 -78,-0.2 -183,-0.1 -79,-0.1 -0.868 47.8-100.4-132.9 156.8 16.8 17.5 105.1 277 693 A Q - 0 0 59 -80,-2.6 2,-0.5 -2,-0.3 -1,-0.0 -0.373 32.3-141.2 -64.1 152.6 16.4 20.9 103.7 278 694 A D + 0 0 101 1,-0.1 -1,-0.1 -187,-0.0 -80,-0.1 -0.643 61.8 111.1-119.4 76.9 19.8 22.6 103.2 279 695 A A > + 0 0 25 -2,-0.5 4,-2.4 -81,-0.4 3,-0.5 -0.358 25.9 161.9-143.3 58.2 19.3 26.2 104.2 280 696 A P H > S+ 0 0 11 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.868 77.8 50.4 -55.1 -37.2 21.3 26.8 107.4 281 697 A H H > S+ 0 0 144 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.889 109.1 51.1 -72.6 -35.6 21.3 30.6 107.0 282 698 A L H > S+ 0 0 72 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.946 109.2 51.5 -65.9 -41.0 17.5 30.7 106.5 283 699 A V H X S+ 0 0 6 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.893 104.7 57.6 -62.3 -37.1 17.1 28.6 109.7 284 700 A K H X S+ 0 0 81 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.925 110.5 42.2 -57.3 -48.2 19.3 31.1 111.6 285 701 A G H X S+ 0 0 16 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.880 115.3 50.2 -67.1 -37.5 16.9 34.0 110.7 286 702 A A H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.893 111.5 48.6 -66.6 -42.1 13.8 31.8 111.4 287 703 A M H X S+ 0 0 15 -4,-2.9 4,-2.4 -5,-0.2 5,-0.3 0.951 112.2 48.6 -60.4 -47.1 15.2 30.8 114.8 288 704 A A H X S+ 0 0 64 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.879 112.0 50.3 -61.5 -36.5 16.0 34.5 115.6 289 705 A A H X S+ 0 0 15 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.894 108.9 51.8 -70.8 -40.8 12.4 35.4 114.5 290 706 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.964 114.0 40.7 -61.3 -57.1 10.9 32.7 116.7 291 707 A Y H X S+ 0 0 13 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.883 113.1 56.0 -67.3 -28.7 12.7 33.8 119.9 292 708 A S H < S+ 0 0 81 -4,-2.1 4,-0.3 -5,-0.3 -1,-0.2 0.949 108.1 49.2 -61.8 -45.4 12.2 37.4 119.0 293 709 A A H >< S+ 0 0 2 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.966 114.5 43.3 -58.6 -51.5 8.5 36.6 118.9 294 710 A L H 3< S+ 0 0 55 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.824 114.4 49.5 -65.1 -31.9 8.4 34.8 122.3 295 711 A N T >< S+ 0 0 69 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.238 73.0 109.5 -98.7 16.2 10.6 37.4 124.1 296 712 A R T < S+ 0 0 136 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.1 0.682 81.6 47.6 -73.3 -16.5 8.8 40.6 123.1 297 713 A N T 3 0 0 128 -3,-0.4 -1,-0.3 0, 0.0 -2,-0.1 0.371 360.0 360.0-101.4 3.2 7.4 41.1 126.7 298 714 A Q < 0 0 123 -3,-1.6 -3,-0.1 -4,-0.0 -4,-0.0 -0.286 360.0 360.0 -49.3 360.0 10.9 40.5 128.3