==== 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 4JG7 . 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 . 307 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 63.8 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 . 38 12.4 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 30.0 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 1 1 1 0 0 0 3 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 1 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 . 2 1 1 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 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 1 405 A H 0 0 163 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 57.0 -1.3 14.0 10.1 2 406 A S - 0 0 95 1,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.465 360.0-100.7 -84.4 158.6 1.6 11.8 8.9 3 407 A I - 0 0 158 -2,-0.1 -1,-0.1 1,-0.1 3,-0.0 -0.472 24.0-156.4 -76.6 152.8 4.6 13.1 6.9 4 408 A V - 0 0 53 -2,-0.1 2,-0.5 3,-0.1 -1,-0.1 0.823 3.5-159.0 -98.9 -40.0 4.5 12.4 3.2 5 409 A Q S S+ 0 0 69 2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 -0.084 81.2 88.0 78.7 -35.9 8.2 12.6 2.2 6 410 A Q S S+ 0 0 16 -2,-0.5 2,-1.0 1,-0.1 -1,-0.1 0.683 72.1 78.9 -64.0 -17.5 6.9 13.2 -1.3 7 411 A L S S+ 0 0 87 2,-0.0 2,-0.4 49,-0.0 -2,-0.3 -0.802 70.4 144.0 -92.7 97.4 6.9 16.8 -0.3 8 412 A H + 0 0 56 -2,-1.0 2,-0.4 -4,-0.1 73,-0.2 -0.947 38.8 179.8-150.3 117.2 10.6 17.6 -0.7 9 413 A R + 0 0 139 -2,-0.4 71,-0.1 71,-0.1 4,-0.0 -0.587 36.2 171.7-109.6 65.6 12.7 20.5 -1.8 10 414 A N - 0 0 80 -2,-0.4 69,-0.0 2,-0.1 -2,-0.0 0.259 43.0 -96.9 -64.2-167.2 16.1 18.8 -1.3 11 415 A S S S+ 0 0 94 2,-0.1 -1,-0.0 0, 0.0 0, 0.0 0.970 94.9 80.1 -81.1 -60.8 19.5 20.1 -2.4 12 416 A I S S- 0 0 67 1,-0.1 2,-0.3 2,-0.0 -2,-0.1 -0.241 73.1-141.1 -55.4 129.2 20.2 18.5 -5.8 13 417 A Q > - 0 0 83 1,-0.1 3,-1.5 65,-0.1 4,-0.5 -0.695 11.6-128.1 -93.2 146.8 18.4 20.2 -8.6 14 418 A F G >> S+ 0 0 3 -2,-0.3 3,-1.8 1,-0.3 4,-1.0 0.948 110.4 48.1 -57.9 -53.4 16.9 18.2 -11.5 15 419 A T G 34 S+ 0 0 80 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.330 98.9 74.3 -73.6 10.4 18.6 20.2 -14.3 16 420 A D G <4 S+ 0 0 65 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.658 114.7 17.1 -91.8 -21.0 21.8 19.8 -12.3 17 421 A G T <4 S+ 0 0 21 -3,-1.8 20,-2.6 -4,-0.5 2,-0.4 0.322 120.6 66.4-131.0 2.9 22.1 16.1 -13.3 18 422 A Y E < -A 36 0A 12 -4,-1.0 2,-0.6 18,-0.2 18,-0.2 -0.982 62.5-147.7-131.6 142.1 19.7 15.8 -16.2 19 423 A E E -A 35 0A 83 16,-2.6 16,-1.9 -2,-0.4 -4,-0.0 -0.928 21.9-140.2-111.2 113.2 19.8 17.3 -19.7 20 424 A V E +A 34 0A 48 -2,-0.6 14,-0.2 14,-0.2 2,-0.2 -0.301 27.2 168.7 -71.4 152.8 16.4 18.1 -21.2 21 425 A K E - 0 0 72 12,-2.1 -1,-0.1 1,-0.4 13,-0.1 -0.450 39.3 -17.7-138.7-148.3 15.6 17.5 -24.9 22 426 A E E S- 0 0 102 -2,-0.2 11,-2.6 10,-0.1 -1,-0.4 -0.039 71.0 -94.8 -62.9 165.2 12.6 17.3 -27.3 23 427 A D E -A 32 0A 113 9,-0.2 2,-0.3 2,-0.0 9,-0.3 -0.212 37.3-157.0 -73.8 169.8 9.0 17.0 -26.2 24 428 A I + 0 0 65 7,-1.6 7,-0.4 8,-0.1 2,-0.2 -0.995 44.8 13.9-150.8 147.6 7.1 13.7 -26.0 25 429 A G 0 0 70 -2,-0.3 5,-0.1 5,-0.1 -2,-0.0 -0.593 360.0 360.0 93.4-152.1 3.5 12.6 -26.0 26 430 A V 0 0 129 -2,-0.2 3,-0.3 3,-0.2 -1,-0.0 -0.952 360.0 360.0-157.7 360.0 0.4 14.5 -27.1 27 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 28 433 A Y 0 0 121 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -2.1 -2.5 16.8 -21.8 29 434 A S - 0 0 30 -3,-0.3 2,-0.3 19,-0.0 -3,-0.2 -0.883 360.0-116.9-107.3 133.6 0.6 16.4 -19.6 30 435 A V + 0 0 83 17,-0.4 17,-0.9 -2,-0.4 2,-0.3 -0.497 43.7 169.1 -69.0 127.6 3.9 18.1 -20.4 31 436 A C E + B 0 46A 34 -7,-0.4 -7,-1.6 -2,-0.3 2,-0.3 -0.976 11.7 177.4-141.1 152.9 6.6 15.6 -21.1 32 437 A K E -AB 23 45A 63 13,-2.3 13,-2.9 -2,-0.3 2,-0.3 -0.987 30.1-113.5-150.4 156.1 10.2 15.6 -22.5 33 438 A R E + B 0 44A 40 -11,-2.6 -12,-2.1 -2,-0.3 2,-0.3 -0.728 39.6 178.9 -88.5 143.8 13.1 13.3 -23.2 34 439 A C E -AB 20 43A 0 9,-3.1 9,-2.5 -2,-0.3 2,-0.4 -0.929 22.3-132.4-141.5 165.3 16.2 13.8 -21.1 35 440 A I E -AB 19 42A 29 -16,-1.9 -16,-2.6 -2,-0.3 2,-0.6 -0.960 26.7-115.5-121.9 138.6 19.7 12.4 -20.6 36 441 A H E > -A 18 0A 49 5,-1.7 4,-2.6 -2,-0.4 2,-1.4 -0.619 21.8-143.1 -71.9 116.3 21.4 11.5 -17.4 37 442 A K T 4 S+ 0 0 111 -20,-2.6 -1,-0.1 -2,-0.6 -19,-0.1 -0.016 96.5 40.6 -74.0 36.5 24.4 13.8 -17.1 38 443 A A T 4 S+ 0 0 75 -2,-1.4 -1,-0.2 -21,-0.1 -20,-0.1 0.427 127.9 21.4-146.6 -41.9 26.4 11.0 -15.6 39 444 A T T 4 S- 0 0 75 -3,-0.2 -2,-0.2 2,-0.1 -3,-0.0 0.462 90.7-131.2-112.9 -7.5 25.6 7.7 -17.4 40 445 A N < + 0 0 126 -4,-2.6 2,-0.3 1,-0.2 -3,-0.1 0.899 53.4 150.2 55.7 45.0 24.3 9.2 -20.6 41 446 A M - 0 0 110 -5,-0.2 -5,-1.7 1,-0.0 2,-0.2 -0.843 49.8-107.2-108.5 147.6 21.1 7.1 -20.6 42 447 A E E +B 35 0A 113 -2,-0.3 48,-0.5 -7,-0.2 2,-0.3 -0.508 43.4 168.8 -75.0 134.3 17.8 8.0 -22.1 43 448 A F E -BC 34 89A 26 -9,-2.5 -9,-3.1 -2,-0.2 2,-0.4 -0.983 29.8-129.5-142.1 153.3 14.9 8.9 -19.7 44 449 A A E -BC 33 88A 15 44,-2.4 44,-3.0 -2,-0.3 2,-0.4 -0.870 23.8-164.3-102.5 137.3 11.5 10.4 -19.9 45 450 A V E -BC 32 87A 2 -13,-2.9 -13,-2.3 -2,-0.4 2,-0.6 -0.963 9.7-154.3-124.6 140.0 10.5 13.2 -17.6 46 451 A K E -BC 31 86A 17 40,-1.8 40,-2.3 -2,-0.4 2,-0.4 -0.941 11.3-157.9-115.1 111.7 7.1 14.6 -16.8 47 452 A I E - C 0 85A 35 -17,-0.9 -17,-0.4 -2,-0.6 2,-0.4 -0.730 12.2-173.6 -90.1 135.5 7.0 18.3 -15.7 48 453 A I E - C 0 84A 14 36,-1.3 36,-1.3 -2,-0.4 2,-0.8 -0.992 24.5-130.2-134.1 135.8 4.0 19.4 -13.6 49 454 A D E >> - C 0 83A 57 -2,-0.4 4,-1.7 34,-0.2 3,-1.4 -0.753 13.0-158.5 -86.9 111.6 3.0 22.9 -12.4 50 455 A K T 34 S+ 0 0 69 32,-1.8 -1,-0.2 -2,-0.8 33,-0.1 0.846 92.5 58.2 -57.7 -36.6 2.2 22.6 -8.7 51 456 A S T 34 S+ 0 0 109 31,-0.5 -1,-0.3 1,-0.2 3,-0.1 0.742 113.4 39.4 -66.0 -23.1 0.1 25.7 -8.9 52 457 A K T <4 S+ 0 0 83 -3,-1.4 2,-0.3 1,-0.3 -1,-0.2 0.651 131.3 0.8 -99.7 -20.4 -2.1 24.0 -11.5 53 458 A R < - 0 0 73 -4,-1.7 -1,-0.3 -5,-0.0 -5,-0.0 -0.977 60.5-123.4-166.1 150.1 -2.1 20.6 -9.9 54 459 A D - 0 0 108 -2,-0.3 3,-0.4 1,-0.1 4,-0.3 -0.909 21.5-175.5-101.7 113.2 -0.9 18.5 -7.0 55 460 A P > + 0 0 4 0, 0.0 4,-2.6 0, 0.0 3,-0.3 0.495 57.0 101.9 -86.7 -4.8 1.1 15.4 -8.3 56 461 A T H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.870 79.6 54.1 -47.3 -46.4 1.6 13.8 -4.9 57 462 A E H > S+ 0 0 49 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.944 112.8 41.3 -54.5 -53.9 -1.2 11.3 -5.5 58 463 A E H > S+ 0 0 5 -4,-0.3 4,-2.1 -3,-0.3 5,-0.2 0.940 111.2 55.7 -61.0 -50.3 0.3 10.1 -8.8 59 464 A I H X S+ 0 0 7 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.880 108.4 48.5 -52.6 -43.6 3.9 10.1 -7.6 60 465 A E H X S+ 0 0 52 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.912 107.9 54.2 -64.5 -43.3 3.0 7.8 -4.7 61 466 A I H X S+ 0 0 1 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.868 109.4 49.3 -58.1 -37.1 1.1 5.4 -7.0 62 467 A L H X S+ 0 0 5 -4,-2.1 4,-0.8 2,-0.2 12,-0.4 0.863 111.8 49.3 -69.6 -36.8 4.3 5.2 -9.1 63 468 A L H < S+ 0 0 107 -4,-1.8 3,-0.5 -5,-0.2 4,-0.4 0.962 116.2 38.1 -67.2 -54.1 6.4 4.4 -6.1 64 469 A R H < S+ 0 0 166 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.708 131.1 29.6 -74.2 -20.7 4.3 1.7 -4.5 65 470 A Y H >< S+ 0 0 6 -4,-1.3 3,-0.5 -5,-0.3 -1,-0.2 0.208 89.8 95.6-126.7 14.1 3.4 0.1 -7.8 66 471 A G T 3< S+ 0 0 4 -4,-0.8 5,-0.3 -3,-0.5 -3,-0.1 0.818 70.9 73.7 -73.4 -31.1 6.3 0.8 -10.1 67 472 A Q T 3 S+ 0 0 101 -4,-0.4 -1,-0.2 -5,-0.1 -2,-0.1 0.794 71.6 105.0 -53.1 -30.9 7.9 -2.5 -9.3 68 473 A H S X S- 0 0 38 -3,-0.5 3,-1.7 1,-0.2 -3,-0.0 -0.330 74.3-139.1 -54.3 126.7 5.3 -4.1 -11.5 69 474 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.865 101.2 49.9 -59.7 -38.4 7.0 -5.0 -14.8 70 475 A N T 3 S+ 0 0 19 83,-0.1 84,-1.6 47,-0.1 2,-0.4 0.053 97.1 84.7 -91.6 24.6 4.1 -3.8 -16.9 71 476 A I B < S-e 154 0B 2 -3,-1.7 84,-0.1 -5,-0.3 82,-0.1 -0.990 94.5-100.7-127.4 124.7 3.8 -0.4 -15.1 72 477 A I - 0 0 14 82,-2.1 2,-0.3 -2,-0.4 -4,-0.1 -0.110 45.9-128.0 -44.7 125.5 6.0 2.5 -16.2 73 478 A T - 0 0 36 -4,-0.1 16,-1.7 -6,-0.1 2,-0.5 -0.621 6.6-131.4 -89.6 135.8 8.9 2.6 -13.7 74 479 A L E +D 88 0A 28 -12,-0.4 14,-0.3 -2,-0.3 3,-0.1 -0.718 26.4 173.9 -82.3 128.4 9.9 5.7 -11.7 75 480 A K E - 0 0 113 12,-2.9 2,-0.3 -2,-0.5 13,-0.2 0.580 63.6 -15.4-110.6 -17.1 13.6 6.2 -11.9 76 481 A D E -D 87 0A 44 11,-2.1 11,-2.0 2,-0.0 -1,-0.4 -0.957 54.7-159.1-176.5 163.8 13.9 9.6 -10.2 77 482 A V E -D 86 0A 29 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.971 8.5-179.0-159.5 143.1 11.9 12.6 -9.0 78 483 A Y E -D 85 0A 42 7,-0.8 7,-1.6 -2,-0.3 2,-0.2 -0.880 16.3-156.6-138.9 169.0 12.5 16.3 -8.1 79 484 A D E -D 84 0A 19 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.748 4.7-175.9-152.3 98.0 10.8 19.4 -6.9 80 485 A D - 0 0 55 3,-0.8 2,-0.2 -2,-0.2 4,-0.1 0.287 60.6 -99.5 -80.2 12.0 12.4 22.8 -7.6 81 486 A G S S+ 0 0 38 2,-0.6 -1,-0.1 -73,-0.2 3,-0.1 -0.252 117.8 45.1 101.3 -44.5 9.6 24.5 -5.6 82 487 A K S S+ 0 0 51 -2,-0.2 -32,-1.8 1,-0.1 -31,-0.5 0.828 118.7 25.8 -98.0 -42.9 7.5 25.5 -8.6 83 488 A Y E -C 49 0A 94 -34,-0.2 -3,-0.8 -33,-0.1 -2,-0.6 -0.665 66.8-134.7-118.0 172.7 7.5 22.4 -10.7 84 489 A V E -CD 48 79A 2 -36,-1.3 -36,-1.3 -2,-0.2 2,-0.9 -0.997 9.7-151.7-132.7 130.2 7.9 18.6 -10.2 85 490 A Y E -CD 47 78A 25 -7,-1.6 2,-1.2 -2,-0.4 -7,-0.8 -0.752 7.7-168.4-108.6 87.7 10.1 16.4 -12.4 86 491 A V E -CD 46 77A 2 -40,-2.3 -40,-1.8 -2,-0.9 2,-0.7 -0.615 12.1-161.5 -76.4 97.1 8.8 12.9 -12.5 87 492 A V E +CD 45 76A 0 -11,-2.0 -12,-2.9 -2,-1.2 -11,-2.1 -0.729 21.4 159.8 -88.1 111.6 11.6 11.0 -14.1 88 493 A T E -CD 44 74A 14 -44,-3.0 -44,-2.4 -2,-0.7 -14,-0.2 -0.660 46.1 -71.9-121.0 177.7 10.5 7.7 -15.5 89 494 A E E -C 43 0A 28 -16,-1.7 -46,-0.2 -46,-0.2 2,-0.2 -0.441 52.9-113.5 -72.5 145.3 11.8 5.2 -18.1 90 495 A L - 0 0 28 -48,-0.5 2,-0.8 -2,-0.1 -1,-0.1 -0.489 17.0-131.1 -82.4 149.1 11.5 6.2 -21.8 91 496 A M > + 0 0 32 -2,-0.2 3,-0.5 1,-0.1 52,-0.2 -0.832 34.2 162.6-104.6 98.6 9.3 4.4 -24.2 92 497 A K T 3 + 0 0 58 51,-1.8 52,-0.2 -2,-0.8 51,-0.2 0.482 67.3 72.2 -92.2 -4.6 11.2 3.6 -27.4 93 498 A G T 3 S- 0 0 15 49,-1.9 -1,-0.2 1,-0.2 50,-0.2 0.389 93.6-141.7 -91.3 2.9 8.7 1.0 -28.5 94 499 A G < - 0 0 39 -3,-0.5 48,-2.7 48,-0.3 2,-0.3 -0.037 50.5 -22.6 63.6-172.8 6.1 3.6 -29.4 95 500 A E B > -F 141 0B 28 46,-0.2 4,-1.9 1,-0.1 46,-0.3 -0.518 57.8-136.9 -72.2 131.8 2.4 3.1 -28.8 96 501 A L H > S+ 0 0 1 44,-1.8 4,-2.3 41,-0.3 5,-0.2 0.907 104.0 48.1 -53.8 -48.4 1.4 -0.5 -28.6 97 502 A L H > S+ 0 0 5 43,-0.6 4,-2.6 40,-0.4 -1,-0.2 0.895 107.0 57.0 -62.7 -41.6 -1.8 -0.1 -30.7 98 503 A D H 4 S+ 0 0 32 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.907 110.9 43.2 -55.3 -45.3 0.2 1.8 -33.4 99 504 A K H >< S+ 0 0 36 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.928 114.3 48.8 -68.9 -46.4 2.6 -1.1 -33.8 100 505 A I H >< S+ 0 0 0 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.880 104.6 58.1 -63.9 -40.5 -0.0 -3.8 -33.8 101 506 A L T 3< S+ 0 0 12 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.599 105.4 53.2 -67.7 -9.5 -2.3 -2.2 -36.3 102 507 A R T < S+ 0 0 152 -3,-1.2 2,-0.9 -4,-0.3 -1,-0.3 0.336 85.1 94.6-105.7 3.7 0.6 -2.2 -38.7 103 508 A Q X - 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0 0 35 -2,-0.4 4,-1.9 1,-0.1 3,-0.3 -0.202 20.2-121.6 -64.0 157.4 -14.2 -16.3 -33.3 245 650 A D H > S+ 0 0 122 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.863 111.6 63.6 -69.7 -37.1 -17.4 -15.9 -31.2 246 651 A T H > S+ 0 0 51 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.860 106.6 46.7 -53.7 -35.8 -15.5 -16.0 -28.0 247 652 A A H > S+ 0 0 0 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.968 112.3 47.0 -69.0 -55.3 -13.9 -12.8 -29.2 248 653 A K H X S+ 0 0 44 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.873 115.8 48.4 -52.9 -39.7 -17.2 -11.2 -30.2 249 654 A D H >X S+ 0 0 62 -4,-3.7 4,-2.1 2,-0.2 3,-0.6 0.965 112.2 45.4 -67.0 -54.9 -18.6 -12.3 -26.9 250 655 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.884 111.9 54.3 -55.1 -40.5 -15.7 -11.0 -24.8 251 656 A V H 3X S+ 0 0 0 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.797 109.5 47.1 -67.3 -29.0 -15.8 -7.7 -26.8 252 657 A S H << S+ 0 0 37 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.835 111.7 50.6 -80.4 -34.2 -19.5 -7.3 -26.0 253 658 A K H >< S+ 0 0 75 -4,-2.1 3,-1.5 1,-0.2 10,-0.6 0.950 110.8 46.5 -67.3 -51.2 -19.1 -8.0 -22.3 254 659 A M H 3< S+ 0 0 0 -4,-2.4 -54,-0.3 1,-0.3 -1,-0.2 0.718 117.5 45.5 -65.2 -21.9 -16.2 -5.6 -21.7 255 660 A L T 3< S+ 0 0 1 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.224 77.0 145.2-107.6 12.4 -18.2 -2.9 -23.7 256 661 A H < - 0 0 53 -3,-1.5 6,-0.1 1,-0.1 -3,-0.1 -0.305 51.4-135.2 -52.7 126.8 -21.5 -3.5 -22.0 257 662 A V S S+ 0 0 71 -26,-0.3 -1,-0.1 -27,-0.1 -26,-0.1 0.895 89.2 70.1 -57.1 -46.1 -23.1 -0.0 -21.8 258 663 A D S > S- 0 0 50 1,-0.1 4,-0.8 -27,-0.1 3,-0.2 -0.644 76.6-147.7 -75.7 122.8 -24.3 -0.5 -18.2 259 664 A P T >4 S+ 0 0 40 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.870 93.7 56.4 -56.9 -42.3 -21.2 -0.5 -15.8 260 665 A H T 34 S+ 0 0 175 1,-0.3 -3,-0.0 -3,-0.0 -4,-0.0 0.902 109.5 43.7 -60.5 -44.8 -22.8 -3.0 -13.3 261 666 A Q T 34 S+ 0 0 126 -3,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.601 95.8 104.5 -77.3 -11.1 -23.4 -5.7 -15.9 262 667 A R S << S- 0 0 25 -4,-0.8 -8,-0.2 -3,-0.6 -9,-0.1 -0.422 80.0-104.8 -73.4 146.1 -19.9 -5.0 -17.3 263 668 A L - 0 0 29 -10,-0.6 2,-0.2 -2,-0.1 -1,-0.1 -0.342 28.5-132.2 -71.4 149.3 -17.1 -7.5 -16.5 264 669 A T > - 0 0 74 1,-0.1 4,-2.9 -2,-0.1 5,-0.2 -0.595 32.0 -99.4 -94.3 163.1 -14.4 -6.7 -14.0 265 670 A A H > S+ 0 0 2 1,-0.2 4,-1.6 -2,-0.2 -142,-0.2 0.872 125.3 52.0 -47.6 -42.6 -10.7 -7.3 -14.7 266 671 A A H > S+ 0 0 44 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.929 111.2 45.0 -62.3 -48.0 -10.9 -10.5 -12.7 267 672 A L H >> S+ 0 0 92 1,-0.2 3,-1.3 -3,-0.2 4,-1.2 0.904 107.0 59.3 -64.1 -42.9 -13.8 -11.9 -14.7 268 673 A V H >< S+ 0 0 0 -4,-2.9 3,-0.7 1,-0.3 6,-0.3 0.894 103.4 52.7 -51.6 -43.1 -12.3 -10.8 -18.0 269 674 A L H 3< S+ 0 0 24 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.703 106.1 54.4 -68.8 -19.6 -9.3 -13.1 -17.2 270 675 A R H << S+ 0 0 70 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.693 81.7 112.5 -85.5 -21.2 -11.7 -16.0 -16.6 271 676 A H S XX S- 0 0 14 -4,-1.2 4,-2.3 -3,-0.7 3,-2.0 -0.248 79.7-121.1 -54.7 137.7 -13.3 -15.5 -20.1 272 677 A P H 3> S+ 0 0 56 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.643 110.3 65.8 -59.4 -15.7 -12.5 -18.6 -22.3 273 678 A W H 34 S+ 0 0 0 -27,-0.2 7,-0.1 2,-0.2 -4,-0.1 0.776 111.9 32.8 -77.5 -28.2 -10.8 -16.2 -24.8 274 679 A I H <4 S+ 0 0 6 -3,-2.0 3,-0.5 -6,-0.3 -1,-0.1 0.789 126.9 41.8 -92.3 -36.4 -8.1 -15.4 -22.3 275 680 A V H < S+ 0 0 71 -4,-2.3 2,-1.5 1,-0.2 3,-0.4 0.982 119.3 39.6 -74.6 -62.6 -8.1 -18.8 -20.6 276 681 A H S >X S+ 0 0 83 -4,-1.3 3,-1.0 1,-0.2 4,-0.5 -0.396 71.5 140.5 -87.4 59.1 -8.3 -21.1 -23.6 277 682 A W T 34 + 0 0 129 -2,-1.5 3,-0.4 -3,-0.5 -1,-0.2 0.731 61.6 69.5 -72.7 -22.6 -6.0 -19.0 -25.8 278 683 A D T 34 S+ 0 0 97 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.631 96.9 53.4 -71.3 -13.1 -4.4 -22.2 -27.2 279 684 A Q T <4 S+ 0 0 135 -3,-1.0 -1,-0.2 -6,-0.0 -2,-0.2 0.734 86.4 108.0 -88.6 -26.8 -7.7 -22.9 -29.0 280 685 A L S < S- 0 0 9 -4,-0.5 -3,-0.0 -3,-0.4 -173,-0.0 -0.046 78.8 -96.6 -54.3 152.2 -7.8 -19.4 -30.7 281 686 A P - 0 0 28 0, 0.0 -172,-1.4 0, 0.0 -173,-0.1 -0.094 25.4-162.1 -61.5 168.0 -7.1 -19.1 -34.4 282 687 A Q + 0 0 136 -174,-0.1 2,-0.2 -175,-0.1 3,-0.1 0.437 51.9 110.3-132.5 -10.3 -3.6 -18.2 -35.7 283 688 A Y S S- 0 0 126 1,-0.1 -175,-0.3 -176,-0.1 -177,-0.0 -0.485 84.3 -85.0 -71.4 139.5 -4.3 -17.0 -39.3 284 689 A Q - 0 0 43 -2,-0.2 2,-0.4 1,-0.1 -177,-0.2 0.025 48.8-106.5 -43.6 147.2 -3.8 -13.3 -39.9 285 690 A L - 0 0 11 -179,-2.0 2,-1.2 -181,-0.2 -179,-0.2 -0.674 21.5-125.4 -83.5 128.1 -6.8 -11.1 -39.0 286 691 A N + 0 0 92 -2,-0.4 2,-0.2 -47,-0.1 -44,-0.2 -0.606 57.0 153.9 -70.1 97.6 -8.8 -9.6 -41.9 287 692 A R - 0 0 35 -2,-1.2 2,-0.4 -183,-0.1 -78,-0.2 -0.630 49.1 -95.2-124.4 176.0 -8.6 -6.0 -40.8 288 693 A Q - 0 0 53 -80,-1.3 2,-0.9 -2,-0.2 -2,-0.0 -0.804 29.5-144.0 -92.6 137.3 -8.6 -2.4 -42.0 289 694 A D + 0 0 133 -2,-0.4 -187,-0.1 1,-0.1 -79,-0.1 -0.764 62.5 104.5-106.1 87.7 -5.2 -0.8 -42.6 290 695 A A > + 0 0 30 -2,-0.9 4,-1.9 -81,-0.3 3,-0.4 -0.297 28.7 163.2-158.8 63.0 -5.4 2.8 -41.6 291 696 A P H > S+ 0 0 10 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.795 77.2 56.3 -57.9 -33.5 -3.7 3.3 -38.2 292 697 A H H > S+ 0 0 149 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.911 107.1 48.0 -67.0 -43.7 -3.5 7.1 -38.6 293 698 A L H > S+ 0 0 71 -3,-0.4 4,-2.7 1,-0.2 3,-0.4 0.909 110.8 51.9 -62.0 -43.6 -7.3 7.4 -39.1 294 699 A V H X S+ 0 0 4 -4,-1.9 4,-3.5 1,-0.2 5,-0.3 0.909 105.3 55.3 -58.6 -43.8 -7.8 5.2 -36.0 295 700 A K H X S+ 0 0 78 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.806 111.3 46.0 -60.0 -29.6 -5.5 7.5 -34.0 296 701 A G H X S+ 0 0 16 -4,-1.2 4,-1.7 -3,-0.4 -2,-0.2 0.882 113.9 46.3 -78.4 -41.8 -7.8 10.3 -35.1 297 702 A A H X S+ 0 0 1 -4,-2.7 4,-1.9 -82,-0.2 -2,-0.2 0.897 111.8 51.8 -66.6 -41.7 -11.0 8.5 -34.3 298 703 A M H X S+ 0 0 14 -4,-3.5 4,-1.8 1,-0.2 5,-0.2 0.906 110.7 47.6 -62.5 -43.3 -9.7 7.3 -30.9 299 704 A A H X S+ 0 0 61 -4,-1.2 4,-1.5 -5,-0.3 -1,-0.2 0.845 110.2 53.0 -67.2 -34.7 -8.7 10.9 -30.0 300 705 A A H X S+ 0 0 17 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.839 106.7 54.7 -68.9 -34.1 -12.1 12.1 -31.1 301 706 A T H >X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 3,-0.5 0.989 113.3 37.4 -61.7 -62.0 -13.8 9.5 -28.9 302 707 A Y H 3X S+ 0 0 13 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.751 110.0 64.5 -66.2 -24.4 -12.1 10.5 -25.6 303 708 A S H 3< S+ 0 0 86 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.917 107.9 40.3 -63.6 -43.4 -12.3 14.2 -26.5 304 709 A A H X< S+ 0 0 8 -4,-1.5 3,-1.6 -3,-0.5 4,-0.3 0.891 112.9 56.3 -71.1 -41.3 -16.1 14.1 -26.4 305 710 A L H >< S+ 0 0 62 -4,-2.0 3,-0.6 1,-0.3 -2,-0.2 0.946 113.1 39.1 -53.7 -53.2 -16.1 11.8 -23.3 306 711 A N T 3< S+ 0 0 107 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.076 83.0 113.0 -89.3 24.8 -14.0 14.3 -21.3 307 712 A R T < 0 0 77 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.890 360.0 360.0 -62.8 -40.7 -15.8 17.3 -22.8 308 713 A N < 0 0 141 -3,-0.6 -1,-0.2 -4,-0.3 -4,-0.0 -0.303 360.0 360.0 -64.8 360.0 -17.4 18.1 -19.4