==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-APR-13 4BI0 . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN KINASE TTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.R.LANGDON,I.M.WESTWOOD,R.L.M.VAN MONTFORT,N.BROWN,J.BLAGG . 254 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12643.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 63.0 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 . 42 16.5 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 . 13 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0 1 0 1 1 0 0 0 0 0 0 2 0 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 . 0 1 2 0 1 2 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 1 516 A Q 0 0 115 0, 0.0 11,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-167.2 -14.0 56.4 17.3 2 517 A S - 0 0 76 9,-0.2 2,-0.3 25,-0.0 9,-0.2 -0.966 360.0-171.7-163.3 160.6 -14.4 54.9 20.9 3 518 A M E -A 10 0A 20 7,-1.7 7,-3.0 -2,-0.3 2,-0.5 -0.977 19.1-127.6-164.1 151.8 -15.2 51.6 22.9 4 519 A S E +A 9 0A 52 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.900 16.9 178.0-111.3 116.0 -15.9 50.1 26.4 5 520 A V E > S-A 8 0A 0 3,-1.6 3,-0.7 -2,-0.5 2,-0.2 -0.971 76.3 -42.0-116.8 109.5 -14.0 47.1 27.9 6 521 A K T 3 S- 0 0 107 -2,-0.6 71,-0.1 1,-0.2 69,-0.0 -0.473 121.7 -30.5 62.2-131.6 -15.4 46.6 31.4 7 522 A G T 3 S+ 0 0 55 -2,-0.2 -1,-0.2 -3,-0.1 0, 0.0 0.877 118.9 97.3 -77.8 -36.5 -15.8 50.1 33.0 8 523 A R E < -A 5 0A 143 -3,-0.7 -3,-1.6 -4,-0.1 2,-0.4 -0.116 65.5-138.1 -60.0 143.7 -12.8 51.6 31.0 9 524 A I E -A 4 0A 69 -5,-0.2 21,-0.4 -7,-0.0 2,-0.4 -0.862 14.5-161.6-108.2 137.3 -13.2 53.7 27.8 10 525 A Y E -A 3 0A 12 -7,-3.0 -7,-1.7 -2,-0.4 2,-0.5 -0.986 10.4-147.9-127.3 123.8 -10.8 53.2 24.8 11 526 A S E -B 28 0B 57 17,-2.9 17,-2.3 -2,-0.4 -9,-0.2 -0.788 26.6-126.3 -88.2 124.8 -10.2 55.7 22.0 12 527 A I E +B 27 0B 50 -2,-0.5 15,-0.3 -11,-0.3 3,-0.1 -0.549 29.3 176.6 -73.5 136.0 -9.4 53.8 18.7 13 528 A L E - 0 0 77 13,-3.7 2,-0.2 1,-0.5 14,-0.2 0.812 62.2 -34.7-102.7 -49.3 -6.1 55.0 16.9 14 529 A K E -B 26 0B 124 12,-1.1 12,-2.7 0, 0.0 2,-0.8 -0.936 63.3 -89.4-163.2 172.4 -5.9 52.5 14.0 15 530 A Q E -B 25 0B 111 -2,-0.2 10,-0.3 10,-0.2 3,-0.1 -0.902 32.8-168.1 -98.8 108.7 -6.7 48.9 12.9 16 531 A I E - 0 0 76 8,-1.0 2,-0.3 -2,-0.8 9,-0.2 0.681 60.4 -49.6 -67.7 -26.0 -3.5 46.9 13.8 17 532 A G E -B 24 0B 29 7,-1.4 7,-2.0 2,-0.0 2,-0.2 -0.978 56.8-117.1 174.1-168.5 -4.7 43.8 11.8 18 533 A S E -B 23 0B 92 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.679 12.5-173.5-143.0-168.5 -7.5 41.4 11.1 19 534 A G - 0 0 40 3,-1.0 136,-0.0 -2,-0.2 5,-0.0 -0.867 52.0 -81.1-170.3-168.1 -9.1 37.9 11.1 20 535 A G S S+ 0 0 89 -2,-0.3 -1,-0.2 1,-0.1 135,-0.0 0.986 126.8 2.5 -73.2 -67.9 -12.3 36.3 9.9 21 536 A S S S+ 0 0 46 -3,-0.1 20,-1.6 20,-0.1 2,-0.3 0.475 126.8 85.5 -92.6 -12.1 -14.6 37.3 12.7 22 537 A S E - C 0 40B 26 18,-0.2 -3,-1.0 16,-0.0 2,-0.3 -0.718 48.9-178.6-103.8 148.9 -11.7 39.2 14.5 23 538 A K E -BC 18 39B 16 16,-2.4 16,-3.5 -2,-0.3 2,-0.4 -0.986 14.4-151.0-137.3 137.5 -10.3 42.8 14.2 24 539 A V E -BC 17 38B 31 -7,-2.0 -7,-1.4 -2,-0.3 -8,-1.0 -0.957 16.7-169.1-113.7 134.8 -7.3 44.1 16.2 25 540 A F E -BC 15 37B 35 12,-2.4 12,-2.4 -2,-0.4 2,-0.5 -0.936 25.5-129.5-124.3 151.1 -7.1 47.9 17.1 26 541 A Q E +BC 14 36B 38 -12,-2.7 -13,-3.7 -2,-0.3 -12,-1.1 -0.832 45.1 177.4 -93.3 126.5 -4.5 50.2 18.4 27 542 A V E -BC 12 35B 0 8,-2.8 8,-2.3 -2,-0.5 2,-0.4 -0.908 29.9-140.5-132.4 163.7 -6.2 52.1 21.3 28 543 A L E -BC 11 34B 50 -17,-2.3 -17,-2.9 -2,-0.3 6,-0.2 -0.979 19.4-146.5-121.7 136.8 -5.7 54.8 24.1 29 544 A N > - 0 0 24 4,-1.9 3,-1.8 -2,-0.4 -19,-0.2 -0.259 41.1 -86.2 -88.4-176.3 -7.2 54.5 27.6 30 545 A E T 3 S+ 0 0 121 -21,-0.4 -20,-0.1 1,-0.3 -1,-0.0 0.775 130.7 57.0 -61.8 -29.1 -8.4 57.4 29.8 31 546 A K T 3 S- 0 0 74 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.287 120.6-111.8 -84.7 8.2 -4.8 57.8 31.2 32 547 A K < + 0 0 73 -3,-1.8 2,-0.3 1,-0.2 -2,-0.1 0.693 68.8 147.2 62.9 30.3 -3.6 58.2 27.5 33 548 A Q - 0 0 101 1,-0.0 -4,-1.9 0, 0.0 2,-0.3 -0.706 47.2-117.4 -93.7 146.3 -1.8 54.8 27.5 34 549 A I E +C 28 0B 92 -2,-0.3 55,-0.4 -6,-0.2 2,-0.3 -0.603 41.9 153.0 -90.2 134.4 -1.4 52.7 24.4 35 550 A Y E -C 27 0B 31 -8,-2.3 -8,-2.8 -2,-0.3 2,-0.4 -0.884 38.5-116.4-144.7 176.6 -2.9 49.1 24.1 36 551 A A E -CD 26 87B 7 51,-2.1 51,-3.0 -2,-0.3 2,-0.6 -0.968 21.5-158.8-120.9 132.5 -4.2 46.6 21.5 37 552 A I E -CD 25 86B 0 -12,-2.4 -12,-2.4 -2,-0.4 2,-0.6 -0.973 2.5-157.5-115.6 119.5 -7.8 45.5 21.6 38 553 A K E -CD 24 85B 73 47,-1.9 47,-1.8 -2,-0.6 2,-0.4 -0.862 10.0-163.3 -93.1 120.7 -8.7 42.3 19.9 39 554 A Y E -CD 23 84B 60 -16,-3.5 -16,-2.4 -2,-0.6 2,-0.4 -0.917 6.4-173.3-103.4 133.5 -12.4 42.2 19.0 40 555 A V E -CD 22 83B 8 43,-2.1 43,-2.0 -2,-0.4 2,-0.6 -0.999 16.6-143.0-130.0 124.9 -13.9 38.8 18.1 41 556 A N E - D 0 82B 47 -20,-1.6 3,-0.3 -2,-0.4 41,-0.3 -0.809 13.6-174.9 -90.7 120.9 -17.4 38.4 16.8 42 557 A L > + 0 0 10 39,-2.6 3,-1.6 -2,-0.6 40,-0.2 0.319 53.2 108.8 -95.3 6.3 -19.1 35.2 18.2 43 558 A E T 3 S+ 0 0 141 38,-0.6 -1,-0.2 1,-0.3 39,-0.1 0.847 91.0 25.9 -52.4 -47.4 -22.4 35.6 16.1 44 559 A E T 3 S+ 0 0 104 -3,-0.3 2,-0.4 37,-0.1 -1,-0.3 -0.141 96.7 127.1-109.2 35.0 -21.7 32.7 13.7 45 560 A A < - 0 0 27 -3,-1.6 -3,-0.1 4,-0.0 2,-0.0 -0.823 48.5-142.8-100.7 130.5 -19.4 30.6 16.2 46 561 A D > - 0 0 85 -2,-0.4 4,-2.8 1,-0.1 5,-0.1 -0.237 30.8-101.8 -80.8 171.1 -20.1 27.0 17.1 47 562 A N H > S+ 0 0 126 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.869 123.5 50.6 -63.9 -37.3 -19.6 25.4 20.6 48 563 A Q H > S+ 0 0 136 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 113.1 46.4 -66.3 -42.2 -16.3 23.8 19.5 49 564 A T H > S+ 0 0 17 2,-0.2 4,-2.0 1,-0.2 105,-0.3 0.943 112.7 50.4 -63.4 -50.5 -15.1 27.2 18.2 50 565 A L H X S+ 0 0 30 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.914 112.2 47.3 -54.6 -47.8 -16.3 28.9 21.4 51 566 A D H X S+ 0 0 85 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.845 108.0 53.6 -65.7 -35.2 -14.5 26.4 23.5 52 567 A S H X S+ 0 0 14 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.858 112.7 46.6 -64.3 -36.7 -11.3 26.7 21.5 53 568 A Y H X S+ 0 0 37 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.885 112.5 47.9 -69.6 -46.9 -11.4 30.5 22.1 54 569 A R H X S+ 0 0 110 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.829 112.5 51.2 -63.8 -36.3 -12.2 30.1 25.9 55 570 A N H X S+ 0 0 65 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.916 110.2 46.4 -69.1 -45.5 -9.3 27.6 26.2 56 571 A E H X S+ 0 0 21 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.886 113.6 49.9 -65.8 -39.0 -6.7 29.9 24.4 57 572 A I H X S+ 0 0 8 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.958 111.2 48.5 -62.4 -52.0 -7.8 32.9 26.6 58 573 A A H X S+ 0 0 53 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.883 114.2 46.9 -55.3 -42.2 -7.6 30.8 29.9 59 574 A Y H X S+ 0 0 75 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.912 113.9 46.4 -67.1 -42.9 -4.1 29.6 28.9 60 575 A L H X S+ 0 0 5 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.890 112.0 50.7 -64.7 -44.0 -2.9 33.1 27.9 61 576 A N H < S+ 0 0 76 -4,-2.9 4,-0.3 -5,-0.2 -1,-0.2 0.890 117.6 41.2 -59.8 -41.6 -4.3 34.6 31.1 62 577 A K H >< S+ 0 0 92 -4,-1.9 3,-1.4 -5,-0.2 4,-0.4 0.947 111.7 50.8 -70.1 -58.0 -2.4 31.8 33.1 63 578 A L H 3X S+ 0 0 0 -4,-2.8 4,-0.9 1,-0.3 3,-0.4 0.545 91.2 80.7 -64.7 -9.5 1.0 31.6 31.3 64 579 A Q T 3< S+ 0 0 27 -4,-0.8 3,-0.4 1,-0.2 -1,-0.3 0.862 88.9 54.5 -61.8 -42.9 1.4 35.5 31.5 65 580 A Q T <4 S+ 0 0 93 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.781 106.1 54.5 -61.4 -31.5 2.6 35.0 35.1 66 581 A H T 4 S+ 0 0 104 -4,-0.4 2,-0.3 -3,-0.4 -1,-0.2 0.699 115.5 15.0 -80.7 -29.0 5.4 32.5 33.9 67 582 A S >< - 0 0 6 -4,-0.9 3,-0.7 -3,-0.4 -1,-0.2 -0.989 46.4-148.2-152.7 145.8 7.2 34.5 31.3 68 583 A D T 3 S+ 0 0 74 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.593 97.6 74.8 -83.2 -11.5 7.6 38.1 30.0 69 584 A K T 3 S+ 0 0 16 77,-0.1 78,-3.0 2,-0.1 2,-0.4 0.315 83.3 82.8 -83.1 7.2 8.2 36.6 26.4 70 585 A I B < S-f 147 0C 0 -3,-0.7 78,-0.1 76,-0.3 -3,-0.1 -0.929 96.4-101.4-111.3 133.2 4.4 35.9 26.4 71 586 A I - 0 0 7 76,-1.9 2,-0.3 -2,-0.4 -4,-0.1 -0.196 39.3-108.7 -54.4 140.2 2.1 38.9 25.4 72 587 A R - 0 0 50 -4,-0.1 16,-2.0 17,-0.0 2,-0.6 -0.644 24.1-163.3 -79.6 133.5 0.3 40.8 28.3 73 588 A L E +E 87 0B 9 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.990 13.2 174.8-113.0 106.2 -3.5 40.3 28.6 74 589 A Y E - 0 0 123 12,-3.0 2,-0.3 -2,-0.6 13,-0.2 0.808 59.9 -22.0 -82.7 -40.2 -4.6 43.1 30.8 75 590 A D E -E 86 0B 48 11,-1.3 11,-3.4 2,-0.0 -1,-0.3 -0.966 55.6-160.9-165.1 163.2 -8.4 42.6 30.8 76 591 A Y E -E 85 0B 70 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.985 10.9-152.7-154.3 152.7 -11.2 41.1 28.7 77 592 A E E -E 84 0B 34 7,-2.2 7,-2.1 -2,-0.3 2,-0.5 -0.998 18.8-172.8-126.3 117.3 -15.0 41.3 28.3 78 593 A I E +E 83 0B 72 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.971 13.7 155.9-118.7 122.3 -16.8 38.0 27.1 79 594 A T - 0 0 43 3,-2.9 -2,-0.0 -2,-0.5 0, 0.0 -0.574 57.8 -94.1-123.2-169.7 -20.4 37.9 26.1 80 595 A D S S+ 0 0 144 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.562 124.6 38.6 -83.3 -11.8 -22.5 35.6 23.8 81 596 A Q S S+ 0 0 94 1,-0.3 -39,-2.6 -40,-0.1 -38,-0.6 0.697 123.0 9.2-108.3 -30.0 -22.0 38.0 20.9 82 597 A Y E -D 41 0B 58 -41,-0.3 -3,-2.9 -40,-0.2 2,-0.4 -0.974 47.9-143.2-152.2 165.7 -18.4 39.3 21.3 83 598 A I E -DE 40 78B 5 -43,-2.0 -43,-2.1 -2,-0.3 2,-0.4 -0.994 15.0-170.1-129.5 133.6 -15.0 39.1 23.0 84 599 A Y E -DE 39 77B 47 -7,-2.1 -7,-2.2 -2,-0.4 2,-0.4 -0.996 5.8-170.4-122.5 127.9 -12.8 42.2 23.8 85 600 A M E -DE 38 76B 12 -47,-1.8 -47,-1.9 -2,-0.4 2,-0.8 -0.992 12.9-154.0-124.3 123.6 -9.2 41.6 24.9 86 601 A V E +DE 37 75B 1 -11,-3.4 -12,-3.0 -2,-0.4 -11,-1.3 -0.877 34.8 161.3 -95.1 107.8 -7.1 44.5 26.2 87 602 A M E -DE 36 73B 17 -51,-3.0 -51,-2.1 -2,-0.8 -14,-0.2 -0.707 44.8 -79.9-121.2 175.3 -3.5 43.4 25.5 88 603 A E - 0 0 22 -16,-2.0 2,-0.4 -2,-0.2 -53,-0.2 -0.548 46.6-125.6 -78.1 142.5 -0.0 44.9 25.2 89 604 A C - 0 0 18 -55,-0.4 2,-0.1 -2,-0.2 -55,-0.1 -0.746 22.5-148.0 -88.6 133.9 0.6 46.7 21.9 90 605 A G - 0 0 18 -2,-0.4 51,-0.2 1,-0.1 3,-0.1 -0.406 17.8-128.4 -93.0 177.3 3.7 45.7 19.9 91 606 A N S S- 0 0 106 49,-3.5 2,-0.3 1,-0.4 50,-0.1 0.912 83.9 -30.0 -87.7 -48.1 5.9 47.7 17.6 92 607 A I E -G 140 0C 58 48,-0.8 48,-2.8 -3,-0.0 -1,-0.4 -0.960 66.6-101.4-162.1 154.8 5.7 45.3 14.6 93 608 A D E > -G 139 0C 41 -2,-0.3 4,-1.9 46,-0.2 46,-0.3 -0.532 37.9-113.5 -81.1 157.1 5.2 41.5 14.1 94 609 A L H > S+ 0 0 0 44,-2.2 4,-2.9 41,-0.7 42,-0.2 0.856 113.2 54.7 -59.6 -38.4 8.4 39.5 13.3 95 610 A N H > S+ 0 0 17 40,-0.4 4,-3.0 43,-0.3 5,-0.2 0.966 110.7 44.5 -60.7 -53.3 7.3 38.6 9.7 96 611 A S H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.813 114.7 50.8 -58.4 -35.3 6.6 42.3 8.6 97 612 A W H X S+ 0 0 77 -4,-1.9 4,-3.2 2,-0.2 -1,-0.2 0.959 113.7 43.5 -68.1 -48.7 9.9 43.2 10.3 98 613 A L H < S+ 0 0 20 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.882 114.7 49.2 -63.3 -43.8 11.9 40.5 8.5 99 614 A K H < S+ 0 0 100 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.915 118.8 39.9 -61.2 -44.9 10.2 41.2 5.1 100 615 A K H < S+ 0 0 82 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.953 103.2 77.8 -69.0 -55.8 10.9 45.0 5.5 101 616 A K < - 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0 0 30 1,-0.1 -1,-0.3 2,-0.0 3,-0.2 -0.258 33.5-165.2 -61.1 137.1 1.9 28.5 4.9 161 687 A V > + 0 0 15 1,-0.1 3,-1.2 2,-0.1 -1,-0.1 0.400 66.5 95.8-102.5 -0.2 3.7 25.1 4.7 162 688 A N T 3 S+ 0 0 23 1,-0.3 34,-0.3 35,-0.0 -1,-0.1 0.695 91.6 39.4 -62.0 -25.4 7.3 26.4 4.9 163 689 A Y T 3 S+ 0 0 11 -3,-0.2 -1,-0.3 31,-0.1 -30,-0.2 0.295 88.6 124.7-108.5 5.0 7.6 25.9 8.7 164 690 A M < - 0 0 62 -3,-1.2 -32,-0.1 -32,-0.1 -3,-0.1 -0.522 58.9-129.7 -72.0 126.8 5.7 22.6 8.7 165 691 A P >> - 0 0 1 0, 0.0 4,-1.2 0, 0.0 3,-1.2 -0.434 20.7-115.2 -75.1 150.8 7.5 19.7 10.3 166 692 A P H 3> S+ 0 0 11 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.818 115.0 55.5 -52.1 -37.4 7.8 16.3 8.4 167 693 A E H 3> S+ 0 0 26 69,-0.2 4,-0.9 1,-0.2 10,-0.0 0.770 104.2 53.2 -66.3 -31.0 5.6 14.5 11.0 168 694 A A H <4 S+ 0 0 41 -3,-1.2 -1,-0.2 2,-0.2 -4,-0.0 0.773 111.4 46.5 -74.1 -29.9 2.7 17.0 10.6 169 695 A I H < S+ 0 0 37 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.890 104.4 61.8 -76.1 -43.1 2.8 16.4 6.8 170 696 A K H < 0 0 77 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.762 360.0 360.0 -54.9 -30.0 2.9 12.5 7.4 171 697 A D < 0 0 160 -4,-0.9 -2,-0.1 0, 0.0 -3,-0.1 0.807 360.0 360.0 -78.5 360.0 -0.6 12.7 9.2 172 ! 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 0.0 173 711 A I 0 0 98 0, 0.0 -44,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 97.3 2.9 16.0 17.0 174 712 A S >> - 0 0 44 -43,-0.0 3,-2.7 0, 0.0 4,-0.5 -0.724 360.0 -81.4-124.4 174.1 5.3 16.4 20.1 175 713 A P H >> S+ 0 0 61 0, 0.0 4,-1.0 0, 0.0 3,-0.5 0.748 125.6 72.0 -53.2 -23.8 7.3 19.5 21.4 176 714 A K H 3> S+ 0 0 49 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.734 85.8 65.6 -62.7 -24.5 9.9 18.5 18.7 177 715 A S H <> S+ 0 0 1 -3,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.906 101.3 47.5 -64.5 -42.4 7.3 19.8 16.1 178 716 A D H - 0 0 1 -2,-0.3 3,-1.5 -3,-0.1 4,-0.3 -0.434 48.2-100.3 -76.2 156.1 13.1 29.2 4.6 195 733 A P T 3 S+ 0 0 4 0, 0.0 3,-0.3 0, 0.0 22,-0.2 0.836 120.5 28.6 -48.9 -39.9 14.7 25.8 3.7 196 734 A F T > S+ 0 0 2 -34,-0.3 3,-1.8 1,-0.2 12,-0.1 0.157 84.3 116.0-108.6 16.0 12.2 24.8 1.0 197 735 A Q T < + 0 0 90 -3,-1.5 -1,-0.2 1,-0.3 8,-0.0 0.683 67.9 65.2 -58.3 -25.7 11.2 28.4 -0.2 198 736 A Q T 3 S+ 0 0 101 -4,-0.3 2,-0.7 -3,-0.3 -1,-0.3 0.658 82.4 88.4 -74.5 -17.7 12.7 27.8 -3.7 199 737 A I < - 0 0 31 -3,-1.8 6,-0.1 1,-0.2 -3,-0.0 -0.777 54.0-179.3 -88.1 111.1 10.0 25.1 -4.4 200 738 A I + 0 0 154 -2,-0.7 -1,-0.2 4,-0.0 5,-0.1 0.979 59.9 80.2 -70.7 -63.1 6.9 26.8 -5.9 201 739 A N S > S- 0 0 88 1,-0.1 4,-2.2 4,-0.1 5,-0.1 -0.254 70.1-150.9 -51.2 119.4 4.6 23.8 -6.3 202 740 A Q H > S+ 0 0 97 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.893 96.4 50.7 -66.7 -40.9 3.1 22.9 -2.9 203 741 A I H > S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.933 114.9 44.3 -61.4 -44.5 2.8 19.2 -3.6 204 742 A S H > S+ 0 0 56 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.842 113.1 52.1 -66.2 -35.5 6.5 19.1 -4.6 205 743 A K H X S+ 0 0 10 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.948 109.9 47.4 -66.6 -47.5 7.4 21.3 -1.5 206 744 A L H X S+ 0 0 48 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.862 111.3 52.8 -60.4 -37.5 5.5 18.8 0.9 207 745 A H H X S+ 0 0 123 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.873 108.3 50.3 -66.2 -38.3 7.3 15.9 -0.9 208 746 A A H < S+ 0 0 8 -4,-1.8 6,-0.3 2,-0.2 -2,-0.2 0.917 106.9 53.7 -65.1 -48.0 10.8 17.6 -0.3 209 747 A I H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.913 116.0 38.5 -54.5 -49.2 10.2 18.3 3.4 210 748 A I H < S+ 0 0 75 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.779 96.0 97.5 -74.5 -27.8 9.4 14.6 4.1 211 749 A D >< - 0 0 61 -4,-1.6 3,-1.2 -5,-0.2 25,-0.0 -0.505 53.5-167.8 -69.6 112.8 12.0 13.2 1.7 212 750 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 24,-0.1 0.751 88.3 62.3 -72.8 -22.7 15.3 12.2 3.5 213 751 A N T 3 S+ 0 0 141 1,-0.1 2,-1.1 2,-0.1 -2,-0.1 0.588 84.2 91.3 -75.9 -8.6 17.2 11.9 0.2 214 752 A H S < S- 0 0 61 -3,-1.2 2,-0.3 -6,-0.3 -1,-0.1 -0.769 76.7-148.5 -90.0 96.0 16.4 15.7 -0.2 215 753 A E - 0 0 107 -2,-1.1 2,-0.4 1,-0.1 -2,-0.1 -0.520 5.0-137.4 -69.4 122.6 19.5 17.3 1.4 216 754 A I - 0 0 23 -2,-0.3 2,-0.3 18,-0.1 -20,-0.1 -0.702 25.1-128.0 -79.5 127.0 18.8 20.7 3.1 217 755 A E - 0 0 66 -2,-0.4 -1,-0.0 -22,-0.2 0, 0.0 -0.661 23.1-171.9 -82.7 134.7 21.7 23.0 2.2 218 756 A F - 0 0 40 -2,-0.3 3,-0.1 3,-0.0 -1,-0.0 -0.685 16.6-151.7-123.7 75.2 23.5 24.8 5.0 219 757 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.142 32.2 -94.5 -48.9 139.5 25.9 27.4 3.4 220 758 A D + 0 0 147 2,-0.0 4,-0.1 7,-0.0 0, 0.0 -0.436 49.1 178.7 -63.8 117.6 29.0 28.2 5.5 221 759 A I - 0 0 35 -2,-0.3 6,-0.1 2,-0.2 5,-0.0 -0.776 44.2-106.5-112.6 158.0 28.5 31.3 7.6 222 760 A P S S+ 0 0 142 0, 0.0 2,-1.1 0, 0.0 3,-0.1 0.782 106.7 79.3 -59.5 -23.5 31.1 32.8 10.1 223 761 A E > + 0 0 46 1,-0.2 4,-1.5 2,-0.1 -2,-0.2 -0.720 53.5 173.7 -91.3 91.7 28.9 31.5 12.9 224 762 A K H > S+ 0 0 77 -2,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.854 82.0 56.6 -61.2 -37.7 29.7 27.8 13.2 225 763 A D H > S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 27,-0.3 0.843 107.2 48.9 -60.1 -42.8 27.5 27.6 16.4 226 764 A L H > S+ 0 0 2 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.825 108.7 52.7 -68.4 -39.1 24.5 29.0 14.4 227 765 A Q H X S+ 0 0 22 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.940 108.8 50.3 -63.5 -46.7 25.0 26.4 11.6 228 766 A D H X S+ 0 0 78 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.874 107.6 53.1 -58.9 -42.8 25.0 23.5 14.1 229 767 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.949 111.6 46.6 -55.4 -52.5 21.7 24.8 15.7 230 768 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.928 112.3 48.5 -56.4 -50.7 20.1 24.8 12.2 231 769 A K H < S+ 0 0 95 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.845 115.2 47.5 -58.1 -37.4 21.4 21.4 11.4 232 770 A C H >< S+ 0 0 30 -4,-2.3 10,-1.4 -5,-0.2 3,-0.5 0.798 114.9 43.4 -71.0 -43.5 20.1 20.1 14.9 233 771 A C H 3< S+ 0 0 0 -4,-2.4 2,-0.4 1,-0.2 -2,-0.2 0.892 109.0 58.3 -70.6 -45.0 16.6 21.7 14.6 234 772 A L T 3< S+ 0 0 8 -4,-2.7 2,-0.6 -5,-0.2 -1,-0.2 -0.065 70.2 131.8 -84.6 35.2 16.1 20.7 11.0 235 773 A K < - 0 0 97 -3,-0.5 6,-0.2 -2,-0.4 5,-0.1 -0.814 52.6-145.5 -90.5 112.8 16.5 16.9 11.6 236 774 A R S S+ 0 0 45 -2,-0.6 -69,-0.2 4,-0.1 -1,-0.1 0.819 83.0 73.1 -47.7 -44.7 13.5 15.1 9.8 237 775 A D S >> S- 0 0 86 1,-0.2 3,-1.9 -71,-0.1 4,-0.8 -0.666 74.3-150.8 -77.8 114.1 13.2 12.3 12.5 238 776 A P T 34 S+ 0 0 30 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.804 97.9 59.4 -54.0 -31.3 11.7 13.9 15.6 239 777 A K T 34 S+ 0 0 102 1,-0.2 -3,-0.1 -3,-0.0 -2,-0.0 0.716 108.1 44.6 -66.8 -27.4 13.6 11.3 17.7 240 778 A Q T <4 S+ 0 0 136 -3,-1.9 -1,-0.2 -5,-0.1 2,-0.2 0.484 95.2 104.8 -95.4 -9.4 16.9 12.7 16.3 241 779 A R S < S- 0 0 4 -4,-0.8 -8,-0.2 -3,-0.5 -9,-0.1 -0.539 77.5-108.2 -79.3 140.5 15.9 16.3 16.7 242 780 A I - 0 0 23 -10,-1.4 2,-0.2 -2,-0.2 -1,-0.1 -0.302 33.6-127.7 -63.5 142.8 17.3 18.6 19.5 243 781 A S > - 0 0 28 1,-0.1 4,-2.1 -64,-0.0 3,-0.1 -0.516 19.5-111.8 -89.7 162.2 14.9 19.5 22.4 244 782 A I H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.939 120.0 52.5 -61.0 -45.3 14.2 23.1 23.7 245 783 A P H 4 S+ 0 0 79 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.831 112.0 48.2 -59.1 -29.6 15.9 22.4 27.1 246 784 A E H >4 S+ 0 0 121 1,-0.2 3,-0.9 2,-0.2 -2,-0.2 0.843 108.2 53.5 -76.7 -34.4 18.9 21.2 24.9 247 785 A L H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 6,-0.3 0.825 102.8 57.8 -68.1 -30.8 18.7 24.4 22.7 248 786 A L T 3< S+ 0 0 45 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.589 109.3 45.5 -75.8 -11.1 18.9 26.6 25.9 249 787 A A T < S+ 0 0 76 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.2 0.279 88.5 116.7-111.6 3.8 22.3 25.0 26.8 250 788 A H S X> S- 0 0 16 -3,-0.9 4,-1.6 -4,-0.2 3,-1.2 -0.486 76.4-118.1 -72.6 143.7 23.7 25.2 23.3 251 789 A P H 3> S+ 0 0 50 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.754 111.2 66.1 -51.9 -30.2 26.9 27.4 22.7 252 790 A Y H 34 S+ 0 0 0 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.890 112.0 32.8 -59.0 -39.9 24.9 29.7 20.3 253 791 A V H <4 S+ 0 0 14 -3,-1.2 -1,-0.2 -6,-0.3 -5,-0.1 0.769 129.9 35.1 -84.6 -34.0 22.7 30.9 23.2 254 792 A Q H < S+ 0 0 112 -4,-1.6 2,-0.3 2,-0.0 -2,-0.2 0.747 97.7 79.2 -97.8 -36.4 25.3 30.7 26.0 255 793 A I < 0 0 100 -4,-2.5 -5,-0.0 -5,-0.2 0, 0.0 -0.667 360.0 360.0 -88.3 140.3 28.8 31.7 24.6 256 794 A Q 0 0 217 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.935 360.0 360.0 -76.8 360.0 30.0 35.3 23.9