==== 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 2QR7 . COMPND 2 MOLECULE: RIBOSOMAL PROTEIN S6 KINASE ALPHA-3; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR M.MALAKHOVA,V.TERESHKO,Z.DONG . 298 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 65.4 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 14.4 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 . 18 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 31.5 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 3 0 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 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 1 417 A Q > 0 0 158 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 25.7 43.4 45.0 138.2 2 418 A F H >> + 0 0 4 1,-0.2 3,-2.1 2,-0.2 4,-1.8 0.992 360.0 51.3 -56.9 -57.2 41.9 42.8 135.5 3 419 A T H 34 S+ 0 0 87 1,-0.3 -1,-0.2 2,-0.2 5,-0.1 0.662 102.3 63.1 -63.7 -13.1 44.1 44.7 132.9 4 420 A D H 34 S+ 0 0 116 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.2 0.827 116.9 26.9 -71.0 -36.5 47.1 44.0 135.2 5 421 A G H << S+ 0 0 22 -3,-2.1 21,-2.1 -4,-0.9 22,-0.4 0.578 123.9 48.7-101.7 -11.6 46.7 40.2 134.6 6 422 A Y E < -A 25 0A 8 -4,-1.8 2,-0.6 19,-0.2 19,-0.2 -0.987 62.9-143.1-139.8 133.7 45.0 40.1 131.2 7 423 A E E -A 24 0A 85 17,-2.4 17,-2.2 -2,-0.4 2,-0.3 -0.840 30.3-137.1 -89.9 122.1 45.5 41.7 127.7 8 424 A V E +A 23 0A 50 -2,-0.6 15,-0.3 15,-0.2 2,-0.1 -0.635 26.7 177.0 -84.0 132.8 42.1 42.5 126.2 9 425 A K E - 0 0 71 13,-2.8 -1,-0.1 -2,-0.3 14,-0.0 -0.027 40.7 -25.7-114.9-138.6 41.6 41.7 122.6 10 426 A E E - 0 0 99 11,-0.1 12,-2.4 1,-0.1 -1,-0.3 -0.280 64.9 -93.7 -92.1 160.8 38.5 42.0 120.4 11 427 A D E -A 21 0A 83 10,-0.2 10,-0.3 1,-0.2 -1,-0.1 -0.408 30.2-178.4 -60.0 134.5 34.7 41.9 121.1 12 428 A I E S- 0 0 89 8,-3.8 2,-0.3 1,-0.4 9,-0.2 0.690 75.3 -0.6-100.1 -36.9 33.1 38.5 120.8 13 429 A G E -A 20 0A 34 7,-1.7 7,-3.5 2,-0.0 -1,-0.4 -0.985 61.5-154.0-151.0 141.2 29.6 39.8 121.6 14 430 A V E +A 19 0A 107 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.939 21.9 171.1-112.2 141.2 28.1 43.2 122.5 15 431 A G - 0 0 40 3,-2.3 -2,-0.0 -2,-0.4 0, 0.0 -0.788 47.5-100.3-136.7-177.4 24.9 43.5 124.5 16 432 A S S S+ 0 0 94 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.720 121.9 26.8 -77.6 -19.2 22.7 46.2 126.2 17 433 A Y S S+ 0 0 138 1,-0.2 21,-1.6 24,-0.0 2,-0.3 0.386 128.3 10.6-128.4 -2.6 24.2 45.3 129.7 18 434 A S E - B 0 37A 30 19,-0.2 -3,-2.3 23,-0.1 2,-0.4 -0.990 56.4-132.3-167.1 163.9 27.7 43.9 128.9 19 435 A V E -AB 14 36A 40 17,-1.9 17,-3.4 -2,-0.3 2,-0.5 -0.989 17.5-148.2-123.7 139.4 30.4 43.3 126.3 20 436 A C E +AB 13 35A 38 -7,-3.5 -8,-3.8 -2,-0.4 -7,-1.7 -0.949 25.1 175.0-105.0 128.2 32.1 39.9 125.8 21 437 A K E -AB 11 34A 57 13,-2.8 13,-3.1 -2,-0.5 -10,-0.2 -0.939 33.7-115.5-129.5 151.8 35.8 40.1 124.7 22 438 A R E - B 0 33A 61 -12,-2.4 -13,-2.8 -2,-0.3 2,-0.3 -0.581 41.2-179.7 -70.5 148.2 38.6 37.6 124.0 23 439 A C E -AB 8 32A 0 9,-2.4 9,-2.8 -15,-0.3 2,-0.5 -0.969 22.3-133.2-145.8 164.5 41.5 38.2 126.4 24 440 A I E -AB 7 31A 25 -17,-2.2 -17,-2.4 -2,-0.3 2,-0.8 -0.977 20.9-125.1-121.5 127.1 44.9 36.7 127.1 25 441 A H E >>> -AB 6 30A 49 5,-3.0 4,-2.4 -2,-0.5 3,-0.7 -0.620 27.0-145.9 -67.3 112.0 46.3 35.7 130.5 26 442 A K T 345S+ 0 0 102 -21,-2.1 -1,-0.2 -2,-0.8 -20,-0.1 0.850 89.5 44.2 -51.4 -48.9 49.6 37.7 130.5 27 443 A A T 345S+ 0 0 90 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.768 126.4 29.0 -77.1 -25.5 51.8 35.3 132.5 28 444 A T T <45S- 0 0 71 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.563 92.4-131.3-111.8 -10.4 50.7 32.1 130.7 29 445 A N T <5 + 0 0 136 -4,-2.4 2,-0.2 1,-0.2 -3,-0.1 0.604 57.8 144.9 64.1 16.0 49.7 33.3 127.2 30 446 A X E < -B 25 0A 119 -5,-0.5 -5,-3.0 1,-0.1 2,-0.3 -0.584 46.6-126.2 -89.2 146.7 46.4 31.3 127.5 31 447 A E E +B 24 0A 69 -7,-0.2 48,-0.5 -2,-0.2 2,-0.3 -0.669 33.0 167.4 -96.4 148.0 43.2 32.7 125.9 32 448 A F E -B 23 0A 24 -9,-2.8 -9,-2.4 -2,-0.3 2,-0.4 -0.854 33.9-113.5-144.4 171.7 40.0 33.3 127.8 33 449 A A E -BC 22 77A 9 44,-2.4 44,-2.6 -2,-0.3 2,-0.4 -0.925 25.8-159.6-105.7 141.9 36.7 35.1 127.3 34 450 A V E -BC 21 76A 0 -13,-3.1 -13,-2.8 -2,-0.4 2,-0.6 -0.987 5.7-157.3-120.6 128.5 35.9 38.0 129.6 35 451 A K E -BC 20 75A 36 40,-2.2 40,-2.6 -2,-0.4 2,-0.7 -0.943 12.1-159.1 -97.6 117.7 32.2 39.2 130.1 36 452 A I E -BC 19 74A 19 -17,-3.4 -17,-1.9 -2,-0.6 2,-0.5 -0.883 10.1-164.8-103.9 110.1 32.4 42.9 131.2 37 453 A I E -BC 18 73A 0 36,-2.7 36,-2.1 -2,-0.7 2,-0.6 -0.843 20.1-129.0-105.0 124.5 29.2 43.8 133.0 38 454 A D E >> - C 0 72A 31 -21,-1.6 4,-2.2 -2,-0.5 3,-0.9 -0.583 14.8-157.5 -69.6 111.4 28.1 47.4 133.7 39 455 A K T 34 S+ 0 0 91 32,-2.1 -1,-0.2 -2,-0.6 33,-0.1 0.792 91.0 57.2 -65.4 -26.7 27.2 47.4 137.4 40 456 A S T 34 S+ 0 0 102 31,-0.5 -1,-0.3 1,-0.2 3,-0.1 0.792 115.1 36.2 -71.3 -28.2 25.0 50.6 136.9 41 457 A K T <4 S+ 0 0 127 -3,-0.9 2,-0.3 1,-0.3 -2,-0.2 0.739 128.6 14.3 -99.5 -26.9 22.9 48.8 134.3 42 458 A R < - 0 0 52 -4,-2.2 -1,-0.3 -25,-0.1 -5,-0.0 -0.999 59.4-136.1-150.2 145.3 22.8 45.2 135.7 43 459 A D - 0 0 117 -2,-0.3 3,-0.4 -3,-0.1 4,-0.2 -0.911 19.3-176.0-101.2 106.9 23.6 43.3 139.0 44 460 A P > + 0 0 6 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.170 48.9 111.3 -87.7 17.7 25.4 40.1 138.0 45 461 A T H > S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.922 77.6 47.7 -61.9 -44.5 25.7 38.6 141.6 46 462 A E H > S+ 0 0 51 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.936 112.1 50.5 -62.7 -45.7 23.2 35.7 141.0 47 463 A E H > S+ 0 0 7 -4,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.934 111.0 47.9 -59.7 -48.8 25.0 34.7 137.7 48 464 A I H X S+ 0 0 25 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.890 110.2 51.3 -64.5 -38.8 28.4 34.7 139.3 49 465 A E H X S+ 0 0 103 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.919 110.3 49.5 -67.7 -36.6 27.3 32.6 142.4 50 466 A I H X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.958 112.9 46.8 -64.3 -48.1 25.8 30.0 140.0 51 467 A L H X S+ 0 0 8 -4,-2.3 4,-1.9 1,-0.2 12,-0.4 0.891 112.3 51.7 -60.0 -42.1 29.0 29.8 137.9 52 468 A L H < S+ 0 0 103 -4,-2.5 4,-0.2 -5,-0.2 -1,-0.2 0.934 118.9 34.8 -60.1 -48.0 31.1 29.6 141.1 53 469 A R H < S+ 0 0 164 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.868 133.0 24.3 -77.9 -36.8 29.1 26.7 142.5 54 470 A Y H >< S+ 0 0 6 -4,-2.9 3,-1.9 -5,-0.2 -3,-0.2 0.531 92.6 91.9-114.4 -5.1 28.2 24.7 139.3 55 471 A G T 3< S+ 0 0 2 -4,-1.9 5,-0.2 -5,-0.4 -1,-0.1 0.677 74.4 72.4 -68.9 -16.1 30.9 25.7 136.8 56 472 A Q T 3 S+ 0 0 164 -4,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.652 70.6 109.9 -75.2 -8.2 33.0 22.7 137.8 57 473 A H S X S- 0 0 39 -3,-1.9 3,-1.7 1,-0.2 -3,-0.0 -0.474 81.5-126.2 -57.5 133.6 30.4 20.5 136.0 58 474 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.771 106.3 42.1 -57.2 -26.9 32.3 19.2 132.9 59 475 A N T 3 S+ 0 0 18 47,-0.1 84,-2.4 83,-0.1 2,-0.4 0.139 96.8 85.3-113.8 20.4 29.5 20.6 130.6 60 476 A I B < S-e 143 0B 1 -3,-1.7 84,-0.2 82,-0.3 82,-0.0 -0.949 95.4 -94.0-113.3 140.5 28.9 24.0 132.2 61 477 A I - 0 0 17 82,-2.4 2,-0.4 -2,-0.4 -4,-0.1 -0.264 46.8-125.8 -53.0 132.5 31.1 26.9 131.2 62 478 A T - 0 0 19 -4,-0.1 16,-1.7 -6,-0.1 2,-0.4 -0.715 9.1-134.0 -97.5 130.1 33.9 27.2 133.7 63 479 A L E +D 77 0A 30 -2,-0.4 14,-0.3 -12,-0.4 3,-0.1 -0.623 24.5 175.3 -79.4 131.7 34.7 30.3 135.6 64 480 A K E - 0 0 106 12,-2.9 2,-0.3 1,-0.4 13,-0.2 0.647 62.3 -16.5-110.7 -22.5 38.5 31.1 135.7 65 481 A D E -D 76 0A 48 11,-1.4 11,-2.5 2,-0.0 -1,-0.4 -0.952 52.6-152.1-179.0 152.1 38.6 34.5 137.4 66 482 A V E -D 75 0A 50 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.994 12.2-178.4-142.6 138.8 36.4 37.5 138.5 67 483 A Y E -D 74 0A 46 7,-2.2 7,-2.9 -2,-0.3 2,-0.4 -0.935 11.9-165.5-133.2 156.7 37.2 41.2 139.1 68 484 A D E +D 73 0A 85 -2,-0.3 5,-0.2 5,-0.3 -2,-0.0 -0.951 8.3 177.2-141.0 115.9 35.3 44.3 140.1 69 485 A D - 0 0 78 3,-2.1 2,-0.7 -2,-0.4 4,-0.1 0.158 60.5 -99.2-102.5 18.3 36.9 47.7 139.6 70 486 A G S S+ 0 0 41 2,-0.3 3,-0.1 1,-0.1 -31,-0.0 -0.459 118.2 45.5 97.5 -60.4 33.8 49.6 141.0 71 487 A K S S+ 0 0 156 -2,-0.7 -32,-2.1 1,-0.2 -31,-0.5 0.901 119.1 30.2 -85.1 -41.3 32.1 50.5 137.6 72 488 A Y E -C 38 0A 94 -34,-0.2 -3,-2.1 -33,-0.1 2,-0.4 -0.922 63.0-145.3-123.2 144.0 32.5 47.1 135.8 73 489 A V E -CD 37 68A 7 -36,-2.1 -36,-2.7 -2,-0.3 2,-0.6 -0.896 17.4-152.1 -97.4 136.9 32.5 43.4 136.9 74 490 A Y E -CD 36 67A 30 -7,-2.9 -7,-2.2 -2,-0.4 2,-0.7 -0.940 8.5-169.4-117.3 110.0 34.9 41.2 134.7 75 491 A V E -CD 35 66A 1 -40,-2.6 -40,-2.2 -2,-0.6 2,-0.5 -0.876 7.9-162.6-104.9 102.9 33.8 37.5 134.5 76 492 A V E +CD 34 65A 0 -11,-2.5 -12,-2.9 -2,-0.7 -11,-1.4 -0.748 19.3 162.6 -90.2 125.2 36.6 35.5 132.9 77 493 A T E -CD 33 63A 15 -44,-2.6 -44,-2.4 -2,-0.5 -14,-0.2 -0.826 47.0 -69.5-130.0 174.1 35.6 32.1 131.6 78 494 A E - 0 0 26 -16,-1.7 2,-0.5 -2,-0.3 -46,-0.2 -0.277 56.1-113.4 -59.7 148.4 37.0 29.5 129.3 79 495 A L - 0 0 23 -48,-0.5 2,-0.8 53,-0.1 -1,-0.1 -0.763 18.2-133.8 -90.8 126.6 36.9 30.6 125.6 80 496 A X + 0 0 35 -2,-0.5 52,-0.2 1,-0.2 53,-0.1 -0.694 34.6 165.3 -79.8 111.4 34.5 28.7 123.3 81 497 A K + 0 0 120 51,-1.5 51,-0.2 -2,-0.8 52,-0.2 0.315 64.0 66.6-107.4 6.3 36.6 28.0 120.2 82 498 A G S S- 0 0 4 49,-2.4 50,-0.2 1,-0.3 51,-0.1 0.373 94.7-136.5-106.5 -1.8 34.3 25.3 118.6 83 499 A G - 0 0 31 48,-0.5 48,-2.8 -3,-0.1 2,-0.3 -0.193 48.8 -19.5 79.5-164.8 31.4 27.6 117.8 84 500 A E B > -F 130 0B 34 46,-0.2 4,-2.4 1,-0.1 46,-0.3 -0.602 55.1-139.7 -84.5 135.5 27.7 27.0 118.3 85 501 A L H > S+ 0 0 1 44,-2.0 4,-2.9 41,-0.4 5,-0.2 0.940 99.1 46.0 -64.2 -48.1 26.7 23.3 118.7 86 502 A L H > S+ 0 0 2 43,-0.5 4,-2.8 40,-0.3 5,-0.2 0.951 113.8 48.3 -65.8 -44.6 23.5 23.5 116.6 87 503 A D H > S+ 0 0 26 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.935 113.1 47.2 -64.4 -44.3 25.1 25.4 113.8 88 504 A K H >< S+ 0 0 88 -4,-2.4 3,-0.5 2,-0.2 4,-0.3 0.953 114.0 48.6 -60.0 -42.7 28.1 23.1 113.6 89 505 A I H >< S+ 0 0 0 -4,-2.9 3,-1.2 1,-0.2 6,-0.2 0.906 109.0 52.5 -66.9 -37.9 25.7 20.0 113.7 90 506 A L H 3< S+ 0 0 10 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.762 105.8 54.9 -67.3 -25.5 23.5 21.5 110.9 91 507 A R T << S+ 0 0 134 -4,-1.2 2,-1.0 -3,-0.5 -1,-0.2 0.442 85.6 93.3 -88.6 -0.0 26.5 22.0 108.7 92 508 A Q X - 0 0 78 -3,-1.2 3,-1.7 -4,-0.3 -1,-0.1 -0.776 61.5-165.3 -91.7 102.1 27.5 18.3 109.1 93 509 A K T 3 S+ 0 0 143 -2,-1.0 183,-0.2 1,-0.3 -1,-0.2 0.740 84.3 46.5 -65.0 -19.0 25.8 16.7 106.0 94 510 A F T 3 S+ 0 0 151 179,-0.1 -1,-0.3 181,-0.1 181,-0.0 0.274 76.3 142.8-109.6 21.0 26.2 13.1 107.4 95 511 A F < - 0 0 5 -3,-1.7 179,-2.4 -6,-0.2 2,-0.3 -0.209 34.8-154.6 -63.5 144.8 25.0 13.6 111.0 96 512 A S > - 0 0 4 177,-0.2 4,-2.1 1,-0.1 177,-0.1 -0.759 28.4-110.3-120.3 163.0 22.9 10.6 112.3 97 513 A E H > S+ 0 0 5 175,-0.5 4,-2.3 -2,-0.3 5,-0.2 0.892 116.9 59.0 -53.3 -43.1 20.2 9.9 114.9 98 514 A R H > S+ 0 0 60 172,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.917 107.8 44.9 -61.7 -40.4 22.7 8.0 117.0 99 515 A E H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.900 110.2 55.7 -67.9 -37.4 24.9 11.2 117.3 100 516 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.917 107.3 49.3 -59.2 -46.1 21.9 13.3 118.0 101 517 A S H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.899 109.4 51.7 -60.4 -42.5 20.9 11.1 120.9 102 518 A A H X S+ 0 0 53 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.924 112.5 47.1 -61.5 -41.2 24.5 11.2 122.4 103 519 A V H X S+ 0 0 14 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.957 113.0 46.5 -66.6 -49.8 24.4 15.0 122.2 104 520 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.857 110.2 55.6 -61.6 -35.6 20.9 15.3 123.8 105 521 A F H X S+ 0 0 91 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.961 108.7 46.8 -60.5 -47.6 22.0 12.9 126.5 106 522 A T H X S+ 0 0 17 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.939 117.8 41.3 -66.5 -42.9 25.0 15.1 127.4 107 523 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.932 116.3 48.4 -69.5 -43.2 23.0 18.3 127.5 108 524 A T H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.839 106.8 55.8 -72.5 -32.9 20.0 16.8 129.3 109 525 A K H X S+ 0 0 91 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.902 109.7 49.0 -58.0 -42.6 22.2 15.1 131.9 110 526 A T H X S+ 0 0 0 -4,-1.4 4,-2.0 -5,-0.3 -2,-0.2 0.882 112.7 45.2 -66.2 -41.9 23.6 18.6 132.7 111 527 A V H X S+ 0 0 2 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.852 109.2 56.7 -70.9 -34.6 20.1 20.2 132.9 112 528 A E H X S+ 0 0 58 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.933 109.0 47.9 -61.7 -44.3 18.9 17.3 135.1 113 529 A Y H X S+ 0 0 84 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.951 113.3 46.5 -57.8 -51.9 21.7 18.1 137.5 114 530 A L H ><>S+ 0 0 3 -4,-2.0 5,-2.6 1,-0.2 3,-0.9 0.963 113.3 48.0 -60.5 -50.0 20.9 21.9 137.5 115 531 A H H ><5S+ 0 0 30 -4,-2.9 3,-1.5 1,-0.3 -1,-0.2 0.914 109.0 54.6 -61.4 -40.6 17.1 21.3 138.0 116 532 A A H 3<5S+ 0 0 48 -4,-2.3 47,-0.3 1,-0.3 -1,-0.3 0.792 108.6 49.4 -61.0 -28.0 17.9 18.8 140.9 117 533 A Q T <<5S- 0 0 54 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.377 125.2-102.8 -92.8 3.5 20.0 21.5 142.6 118 534 A G T < 5S+ 0 0 0 -3,-1.5 34,-2.6 -4,-0.4 2,-0.5 0.675 79.8 129.6 87.5 17.8 17.2 24.1 142.2 119 535 A V E < -H 151 0C 0 -5,-2.6 2,-0.4 32,-0.2 -1,-0.3 -0.906 34.6-171.7-110.0 127.0 18.7 26.0 139.3 120 536 A V E -H 150 0C 2 30,-2.1 30,-1.9 -2,-0.5 61,-0.1 -0.932 13.7-154.0-111.8 143.7 16.7 26.9 136.1 121 537 A H - 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0 0 26 1,-0.1 4,-1.9 -2,-0.1 3,-0.3 -0.198 25.3-131.0 -48.8 138.5 12.7 6.8 114.2 234 650 A D H > S+ 0 0 129 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.885 110.8 59.5 -57.9 -35.0 9.2 6.8 115.6 235 651 A T H > S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 27,-0.2 0.915 104.6 48.6 -64.0 -39.3 10.9 6.7 119.1 236 652 A A H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.941 112.4 48.6 -62.7 -46.4 12.7 10.1 118.2 237 653 A K H X S+ 0 0 24 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.888 109.9 51.9 -63.8 -39.9 9.3 11.5 117.1 238 654 A D H X S+ 0 0 59 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.940 111.2 47.2 -59.9 -46.2 7.7 10.3 120.3 239 655 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 3,-0.4 0.958 112.3 49.6 -60.5 -49.4 10.4 12.0 122.4 240 656 A V H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.937 108.6 52.5 -58.3 -46.0 10.1 15.2 120.5 241 657 A S H < S+ 0 0 39 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.884 112.0 46.7 -61.1 -32.0 6.3 15.3 120.8 242 658 A K H >< S+ 0 0 78 -4,-1.6 10,-1.4 -3,-0.4 3,-0.6 0.830 111.9 48.4 -84.7 -30.8 6.6 14.9 124.6 243 659 A X H 3< S+ 0 0 0 -4,-2.0 -54,-0.3 8,-0.2 -1,-0.2 0.766 115.9 45.0 -73.3 -28.1 9.3 17.6 125.1 244 660 A L T 3< S+ 0 0 4 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.236 79.7 148.9 -99.8 15.7 7.4 20.1 123.0 245 661 A H < - 0 0 57 -3,-0.6 6,-0.2 1,-0.2 -3,-0.1 -0.227 50.8-135.3 -52.2 130.8 4.1 19.3 124.7 246 662 A V S S+ 0 0 72 -26,-0.3 -1,-0.2 1,-0.1 -26,-0.1 0.809 91.5 73.3 -60.3 -27.0 2.0 22.6 124.6 247 663 A D S >> S- 0 0 51 1,-0.2 3,-1.4 -27,-0.1 4,-1.3 -0.800 73.5-154.0 -94.6 110.7 1.0 22.0 128.3 248 664 A P T 34 S+ 0 0 42 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.781 94.4 57.8 -53.7 -29.3 4.0 22.6 130.6 249 665 A H T 34 S+ 0 0 155 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.803 109.5 42.3 -71.2 -31.6 2.5 20.2 133.1 250 666 A Q T <4 S+ 0 0 125 -3,-1.4 -1,-0.2 2,-0.1 -5,-0.1 0.571 89.3 110.9 -95.1 -12.4 2.4 17.3 130.7 251 667 A R S < S- 0 0 23 -4,-1.3 -8,-0.2 -6,-0.2 -9,-0.1 -0.310 80.0-101.3 -53.7 140.6 5.9 18.0 129.2 252 668 A L - 0 0 28 -10,-1.4 2,-0.2 -13,-0.2 -1,-0.1 -0.341 34.0-129.1 -59.8 147.9 8.6 15.4 130.1 253 669 A T > - 0 0 72 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.494 28.2-103.7 -83.8 168.6 11.0 16.4 132.8 254 670 A A H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.930 124.6 55.8 -58.0 -42.7 14.8 16.1 132.3 255 671 A A H 4 S+ 0 0 42 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.925 110.4 44.0 -54.9 -44.0 14.7 13.0 134.5 256 672 A L H >4 S+ 0 0 86 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.842 107.4 58.1 -78.4 -33.1 12.1 11.3 132.2 257 673 A V H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 6,-0.3 0.930 103.9 54.4 -54.9 -44.1 13.8 12.4 129.0 258 674 A L T 3< S+ 0 0 20 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.688 106.8 51.1 -69.6 -14.4 16.8 10.4 130.2 259 675 A R T < S+ 0 0 200 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.439 84.3 116.4 -97.9 0.6 14.6 7.3 130.7 260 676 A H S X> S- 0 0 16 -3,-1.6 4,-3.0 -4,-0.4 3,-1.4 -0.454 74.6-123.7 -71.9 140.1 13.2 7.5 127.1 261 677 A P H 3> S+ 0 0 66 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.826 110.4 61.0 -50.0 -40.1 14.0 4.5 124.9 262 678 A W H 34 S+ 0 0 1 -27,-0.2 7,-0.1 1,-0.2 -26,-0.1 0.816 115.5 34.2 -61.0 -31.9 15.6 6.9 122.2 263 679 A I H X4 S+ 0 0 9 -3,-1.4 3,-0.9 -6,-0.3 -1,-0.2 0.859 122.4 45.6 -85.8 -45.3 18.2 8.0 124.9 264 680 A V H 3< S+ 0 0 68 -4,-3.0 3,-0.3 1,-0.3 2,-0.3 0.940 118.3 39.9 -69.5 -44.0 18.5 4.7 126.8 265 681 A H T >< + 0 0 86 -4,-2.7 3,-1.8 -5,-0.2 4,-0.3 -0.250 69.7 140.0-102.5 47.5 18.8 2.4 123.7 266 682 A W G X + 0 0 134 -3,-0.9 3,-1.6 -2,-0.3 -1,-0.2 0.801 64.1 69.4 -53.7 -32.0 21.0 4.7 121.7 267 683 A D G 3 S+ 0 0 80 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.672 96.6 52.0 -68.1 -16.7 23.0 1.6 120.5 268 684 A Q G < S+ 0 0 141 -3,-1.8 -1,-0.3 -6,-0.1 -2,-0.2 0.479 89.2 106.3 -93.5 -4.9 20.0 0.5 118.5 269 685 A L S < S- 0 0 10 -3,-1.6 -171,-0.0 -4,-0.3 -173,-0.0 -0.422 80.2 -91.9 -79.1 151.5 19.6 3.9 116.6 270 686 A P - 0 0 24 0, 0.0 -172,-2.1 0, 0.0 -173,-0.1 -0.263 26.3-167.2 -61.1 142.7 20.6 4.4 112.9 271 687 A Q + 0 0 134 -174,-0.2 2,-0.1 -175,-0.1 3,-0.1 0.323 59.7 99.9-110.1 -0.9 24.2 5.7 112.1 272 688 A Y S S- 0 0 167 1,-0.2 -175,-0.5 -176,-0.0 -174,-0.2 -0.413 89.1 -72.2 -80.4 167.7 23.4 6.5 108.5 273 689 A Q - 0 0 108 -177,-0.1 -177,-0.2 -2,-0.1 2,-0.2 -0.207 41.5-123.4 -69.0 144.1 22.7 10.1 107.5 274 690 A L - 0 0 14 -179,-2.4 2,-0.8 -3,-0.1 -1,-0.1 -0.485 24.5-120.6 -66.5 156.9 19.5 12.0 108.5 275 691 A N + 0 0 83 -47,-0.4 2,-0.3 -79,-0.2 -44,-0.1 -0.890 53.8 159.9-101.6 100.5 17.6 13.5 105.5 276 692 A R - 0 0 32 -2,-0.8 -78,-0.3 -183,-0.2 -79,-0.1 -0.868 47.4 -99.8-127.3 159.2 17.6 17.2 106.5 277 693 A Q - 0 0 63 -80,-2.7 2,-0.6 -2,-0.3 -1,-0.0 -0.456 32.2-142.2 -63.1 144.8 17.1 20.7 105.1 278 694 A D + 0 0 101 -2,-0.1 -1,-0.1 1,-0.1 -80,-0.1 -0.694 62.9 110.9-112.0 77.9 20.5 22.3 104.5 279 695 A A > + 0 0 24 -2,-0.6 4,-2.1 -81,-0.3 3,-0.3 -0.379 26.6 161.1-146.4 58.1 19.9 26.0 105.5 280 696 A P H > S+ 0 0 12 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.835 78.0 51.2 -56.6 -32.9 21.8 26.6 108.7 281 697 A H H > S+ 0 0 143 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.897 108.0 52.1 -74.8 -38.1 21.7 30.4 108.3 282 698 A L H > S+ 0 0 67 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.925 109.5 51.1 -58.4 -44.1 17.9 30.4 107.8 283 699 A V H X S+ 0 0 10 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.906 104.3 56.3 -60.2 -43.8 17.7 28.4 111.0 284 700 A K H X S+ 0 0 83 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.918 111.6 43.7 -51.6 -46.0 19.8 30.9 112.9 285 701 A G H X S+ 0 0 15 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.905 112.9 50.8 -70.5 -42.4 17.2 33.6 111.8 286 702 A A H X S+ 0 0 1 -4,-2.6 4,-2.1 -82,-0.2 -2,-0.2 0.891 112.0 48.4 -59.7 -41.4 14.2 31.4 112.6 287 703 A X H X S+ 0 0 13 -4,-3.0 4,-2.5 2,-0.2 5,-0.3 0.932 111.1 48.7 -70.3 -43.3 15.6 30.7 116.1 288 704 A A H X S+ 0 0 67 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.938 113.3 49.1 -59.9 -42.5 16.4 34.4 116.8 289 705 A A H X S+ 0 0 17 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.907 110.2 51.3 -64.5 -40.2 12.8 35.2 115.7 290 706 A T H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.954 115.2 40.2 -64.9 -49.7 11.3 32.4 117.9 291 707 A Y H X S+ 0 0 12 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.857 112.9 54.7 -76.3 -29.1 13.1 33.6 121.1 292 708 A S H < S+ 0 0 82 -4,-2.6 4,-0.3 -5,-0.3 -1,-0.2 0.947 110.0 48.9 -60.8 -49.7 12.5 37.3 120.3 293 709 A A H >< S+ 0 0 3 -4,-2.3 3,-0.8 -5,-0.2 -2,-0.2 0.926 115.4 43.3 -49.7 -51.3 8.8 36.5 120.1 294 710 A L H 3< S+ 0 0 66 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.800 116.8 44.9 -71.5 -29.6 8.8 34.6 123.4 295 711 A N T >< S+ 0 0 75 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.242 75.9 110.6-103.5 15.3 11.0 37.1 125.3 296 712 A R T < S+ 0 0 132 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.1 0.527 75.9 54.7 -75.4 -4.9 9.2 40.3 124.2 297 713 A N T 3 0 0 160 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.207 360.0 360.0-112.7 14.3 7.7 40.9 127.7 298 714 A Q < 0 0 124 -3,-1.7 -3,-0.0 0, 0.0 0, 0.0 -0.288 360.0 360.0 -72.4 360.0 11.1 40.8 129.7