==== 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 30-APR-09 3H9F . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN KINASE TTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.FILIPPAKOPOULOS,M.SOUNDARARAJAN,T.KEATES,J.M.ELKINS,O.KING . 263 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 66.5 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 . 47 17.9 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 1.5 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 . 14 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 29.7 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 1 1 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 2 0 2 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 . 0 0 1 0 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 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 1 515 A F 0 0 144 0, 0.0 2,-0.1 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 -11.5 13.0 22.5 61.6 2 516 A Q - 0 0 83 11,-0.3 11,-1.6 12,-0.0 2,-0.3 -0.356 360.0-146.4-113.3-176.8 14.8 24.3 58.8 3 517 A S E -A 12 0A 84 9,-0.3 2,-0.3 -2,-0.1 9,-0.3 -0.951 5.1-157.0-150.2 166.2 14.7 27.4 56.5 4 518 A M E -A 11 0A 26 7,-2.6 7,-3.1 -2,-0.3 2,-0.6 -0.999 13.7-132.7-150.3 149.9 15.5 28.7 53.0 5 519 A S E +A 10 0A 59 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.904 20.9 175.0-109.9 117.0 16.2 31.9 51.0 6 520 A V E > S-A 9 0A 1 3,-2.5 3,-1.7 -2,-0.6 72,-0.0 -0.973 77.2 -23.7-117.6 117.8 14.4 32.6 47.7 7 521 A K T 3 S- 0 0 127 -2,-0.5 2,-0.8 1,-0.3 -1,-0.2 0.949 126.2 -49.8 46.9 60.7 15.2 36.0 46.2 8 522 A G T 3 S+ 0 0 67 1,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.011 114.9 111.3 77.1 -30.7 16.2 37.6 49.5 9 523 A R E < -A 6 0A 80 -3,-1.7 -3,-2.5 -2,-0.8 2,-0.3 -0.643 62.2-134.8 -87.6 136.0 13.1 36.4 51.4 10 524 A I E -A 5 0A 108 -2,-0.3 2,-0.4 -5,-0.2 21,-0.3 -0.683 19.0-169.8 -92.1 135.0 13.5 33.8 54.1 11 525 A Y E -A 4 0A 17 -7,-3.1 -7,-2.6 -2,-0.3 2,-0.4 -0.996 12.7-145.6-127.4 132.1 11.0 30.8 54.3 12 526 A S E -AB 3 29A 49 17,-2.7 17,-2.6 -2,-0.4 2,-0.4 -0.833 22.6-126.1 -98.5 132.5 10.8 28.3 57.2 13 527 A I E + B 0 28A 31 -11,-1.6 -11,-0.3 -2,-0.4 15,-0.3 -0.623 25.7 179.3 -81.3 124.5 9.9 24.7 56.2 14 528 A L E - 0 0 85 13,-3.0 2,-0.3 -2,-0.4 14,-0.2 0.934 64.8 -29.0 -83.6 -56.6 6.9 23.1 58.0 15 529 A K E - B 0 27A 127 12,-1.3 12,-2.8 -14,-0.0 2,-0.6 -0.994 58.3-101.8-159.0 152.2 6.9 19.7 56.2 16 530 A Q E - B 0 26A 69 -2,-0.3 10,-0.2 10,-0.2 144,-0.1 -0.740 32.0-176.7 -75.2 121.5 7.7 17.9 53.0 17 531 A I E - 0 0 63 8,-2.3 143,-2.1 -2,-0.6 2,-0.3 0.797 57.7 -28.6 -87.0 -40.1 4.5 17.3 51.1 18 532 A G E -CB 159 25A 4 7,-1.5 7,-3.2 141,-0.3 2,-0.3 -0.982 52.4-158.6-168.3 176.2 5.9 15.4 48.2 19 533 A S E +CB 158 24A 32 139,-2.3 139,-2.1 -2,-0.3 5,-0.3 -0.988 13.7 173.1-164.1 165.1 8.7 14.5 45.8 20 534 A G - 0 0 37 3,-2.6 2,-0.3 -2,-0.3 137,-0.1 -0.328 61.6 -34.3-142.2-132.1 9.9 13.0 42.5 21 535 A G S S- 0 0 62 1,-0.2 135,-0.2 -2,-0.2 3,-0.1 -0.917 126.8 -12.6-150.2 124.7 13.5 13.1 41.2 22 536 A S S S+ 0 0 46 -2,-0.3 20,-2.5 18,-0.1 2,-0.3 -0.619 122.1 91.5-103.0 52.3 15.3 15.3 41.8 23 537 A S E + D 0 41A 10 18,-0.2 -3,-2.6 20,-0.0 2,-0.3 -0.751 41.8 179.1-107.5 150.9 12.4 17.4 43.0 24 538 A K E -BD 19 40A 90 16,-2.4 16,-3.1 -2,-0.3 2,-0.4 -0.992 15.4-146.6-143.6 146.2 10.7 17.9 46.4 25 539 A V E -BD 18 39A 25 -7,-3.2 -8,-2.3 -2,-0.3 -7,-1.5 -0.965 16.9-168.3-118.9 134.4 7.8 20.1 47.5 26 540 A F E -BD 16 38A 28 12,-2.7 12,-1.9 -2,-0.4 2,-0.5 -0.833 23.4-135.0-119.9 151.4 7.6 21.8 50.9 27 541 A Q E +BD 15 37A 38 -12,-2.8 -13,-3.0 -2,-0.3 -12,-1.3 -0.938 44.8 169.3-100.8 126.7 4.9 23.5 52.9 28 542 A V E -BD 13 36A 0 8,-2.8 8,-2.6 -2,-0.5 2,-0.4 -0.816 31.6-131.0-135.2 170.5 6.6 26.6 54.3 29 543 A L E -BD 12 35A 38 -17,-2.6 -17,-2.7 -2,-0.3 6,-0.2 -0.973 19.3-140.2-126.0 145.1 6.0 29.9 56.0 30 544 A N > - 0 0 21 4,-1.7 3,-2.0 -2,-0.4 -19,-0.1 -0.192 43.3 -82.6 -90.4-175.3 7.3 33.4 55.0 31 545 A E T 3 S+ 0 0 121 -21,-0.3 -20,-0.1 1,-0.3 -1,-0.0 0.808 132.8 54.5 -61.7 -27.7 8.5 36.2 57.3 32 546 A K T 3 S- 0 0 67 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.222 120.2-112.0 -88.2 13.3 4.9 37.2 57.9 33 547 A K < + 0 0 98 -3,-2.0 2,-0.3 1,-0.2 -2,-0.1 0.798 68.2 148.9 60.2 36.3 4.1 33.6 59.0 34 548 A Q - 0 0 101 1,-0.0 -4,-1.7 0, 0.0 2,-0.4 -0.761 49.5-107.0-105.4 150.4 1.9 32.9 56.0 35 549 A I E +D 29 0A 94 -2,-0.3 55,-0.3 -6,-0.2 2,-0.2 -0.562 49.3 145.4 -90.2 125.4 1.5 29.6 54.3 36 550 A Y E -D 28 0A 52 -8,-2.6 -8,-2.8 -2,-0.4 2,-0.3 -0.831 38.5-119.6-138.7 177.8 3.1 28.8 50.9 37 551 A A E -DE 27 88A 7 51,-2.9 51,-3.4 -2,-0.2 2,-0.4 -0.931 17.0-159.7-118.7 150.7 4.7 25.9 49.1 38 552 A I E -DE 26 87A 0 -12,-1.9 -12,-2.7 -2,-0.3 2,-0.5 -0.988 4.3-155.4-129.9 124.0 8.3 25.7 47.7 39 553 A K E -DE 25 86A 30 47,-2.2 47,-2.1 -2,-0.4 2,-0.5 -0.834 12.6-164.4 -96.3 131.5 9.3 23.3 45.0 40 554 A Y E -DE 24 85A 49 -16,-3.1 -16,-2.4 -2,-0.5 2,-0.4 -0.970 5.5-170.4-119.8 127.1 13.0 22.4 45.1 41 555 A V E -DE 23 84A 0 43,-2.0 43,-1.9 -2,-0.5 2,-0.7 -0.989 14.6-146.2-119.0 131.2 14.7 20.8 42.1 42 556 A N E - E 0 83A 47 -20,-2.5 3,-0.4 -2,-0.4 41,-0.2 -0.887 15.3-177.7 -93.3 115.5 18.3 19.5 42.4 43 557 A L > + 0 0 13 39,-2.2 3,-2.8 -2,-0.7 40,-0.2 0.561 48.4 112.5 -89.3 -8.9 20.0 20.0 39.1 44 558 A E T 3 S+ 0 0 159 38,-0.7 -1,-0.2 1,-0.3 39,-0.1 0.655 93.6 24.6 -41.8 -22.1 23.3 18.4 40.0 45 559 A E T 3 S+ 0 0 191 -3,-0.4 -1,-0.3 2,-0.1 2,-0.3 0.306 89.0 132.3-126.3 6.6 22.6 15.5 37.6 46 560 A A < - 0 0 30 -3,-2.8 2,-0.1 4,-0.1 -3,-0.1 -0.468 44.7-143.2 -72.8 126.9 20.2 17.0 35.0 47 561 A D >> - 0 0 94 -2,-0.3 4,-2.8 1,-0.1 3,-0.7 -0.427 33.1 -97.0 -76.7 159.6 20.9 16.5 31.2 48 562 A N H 3> S+ 0 0 126 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.857 123.5 52.5 -41.4 -54.3 20.1 19.2 28.6 49 563 A Q H 3> S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.904 114.2 44.5 -53.5 -41.1 16.7 17.8 27.6 50 564 A T H <> S+ 0 0 33 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.902 110.6 52.2 -75.4 -42.0 15.7 17.8 31.3 51 565 A L H X S+ 0 0 37 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.975 111.6 48.7 -52.4 -53.6 17.1 21.2 32.0 52 566 A D H X S+ 0 0 90 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.898 107.5 55.6 -54.3 -42.4 15.1 22.5 29.1 53 567 A S H X S+ 0 0 20 -4,-2.1 4,-2.0 1,-0.2 100,-0.3 0.928 109.4 45.3 -59.7 -46.2 12.0 20.7 30.3 54 568 A Y H X S+ 0 0 39 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.818 112.7 52.0 -67.4 -31.8 12.2 22.4 33.7 55 569 A R H X S+ 0 0 117 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.906 107.1 53.0 -66.7 -41.6 12.8 25.8 32.0 56 570 A N H X S+ 0 0 93 -4,-2.7 4,-3.0 -5,-0.2 5,-0.2 0.951 109.3 48.2 -60.6 -48.8 9.8 25.3 29.8 57 571 A E H X S+ 0 0 28 -4,-2.0 4,-3.6 2,-0.2 5,-0.4 0.965 110.6 49.3 -57.5 -57.5 7.5 24.7 32.7 58 572 A I H X S+ 0 0 10 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.893 114.5 48.2 -49.8 -43.4 8.7 27.7 34.7 59 573 A A H X S+ 0 0 57 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.933 116.0 41.0 -61.5 -51.4 8.2 29.8 31.6 60 574 A Y H X S+ 0 0 79 -4,-3.0 4,-3.4 2,-0.2 5,-0.3 0.981 112.9 54.8 -63.4 -51.5 4.7 28.4 30.8 61 575 A L H X S+ 0 0 15 -4,-3.6 4,-0.9 1,-0.2 13,-0.3 0.865 111.1 47.3 -47.8 -40.0 3.7 28.6 34.5 62 576 A N H X S+ 0 0 73 -4,-2.0 4,-0.6 -5,-0.4 3,-0.4 0.947 115.0 43.8 -65.0 -49.5 4.8 32.2 34.4 63 577 A K H >< S+ 0 0 63 -4,-2.4 3,-0.9 1,-0.2 4,-0.5 0.929 110.3 54.3 -66.8 -45.0 2.8 33.1 31.2 64 578 A L H >X S+ 0 0 0 -4,-3.4 4,-1.1 1,-0.2 3,-0.7 0.703 90.0 77.3 -65.6 -24.8 -0.4 31.2 32.1 65 579 A Q H >< S+ 0 0 35 -4,-0.9 3,-0.8 -3,-0.4 -1,-0.2 0.928 93.8 51.0 -42.7 -54.5 -0.7 33.1 35.5 66 580 A Q T << S+ 0 0 108 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.761 112.2 45.7 -60.7 -29.1 -2.0 36.1 33.6 67 581 A H T <4 S+ 0 0 113 -3,-0.7 2,-0.2 -4,-0.5 -1,-0.2 0.543 120.6 9.5-102.2 -11.5 -4.7 34.2 31.7 68 582 A S X< - 0 0 8 -4,-1.1 3,-0.6 -3,-0.8 -1,-0.3 -0.843 44.8-148.8-168.2 136.4 -6.3 32.0 34.4 69 583 A D T 3 S+ 0 0 92 -2,-0.2 4,-0.1 1,-0.2 -4,-0.1 0.172 89.1 82.6 -89.6 19.4 -6.4 31.5 38.1 70 584 A K T 3 S+ 0 0 25 77,-0.1 78,-3.3 2,-0.1 2,-0.4 0.085 76.9 80.5-107.3 22.0 -7.0 27.7 37.7 71 585 A I B < S-g 148 0B 1 -3,-0.6 78,-0.2 76,-0.3 -3,-0.1 -0.989 100.6 -96.9-116.2 135.6 -3.3 27.1 37.2 72 586 A I - 0 0 15 76,-2.3 2,-0.3 -2,-0.4 -2,-0.1 -0.230 45.5-117.1 -49.7 133.2 -1.2 27.0 40.3 73 587 A R - 0 0 110 -4,-0.1 16,-1.8 -9,-0.0 2,-0.4 -0.621 19.7-158.0 -79.6 138.0 0.4 30.4 41.0 74 588 A L E +F 88 0A 5 -2,-0.3 14,-0.2 -13,-0.3 3,-0.1 -0.939 10.9 179.6-106.6 129.4 4.2 30.9 41.0 75 589 A Y E - 0 0 88 12,-3.3 2,-0.3 -2,-0.4 13,-0.2 0.826 61.1 -17.8-101.1 -39.3 5.2 33.9 43.0 76 590 A D E -F 87 0A 64 11,-1.0 11,-3.2 2,-0.0 -1,-0.4 -0.981 57.0-162.5-163.4 160.0 9.0 33.9 42.7 77 591 A Y E -F 86 0A 76 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.993 13.1-153.5-154.0 154.1 11.9 31.7 41.8 78 592 A E E -F 85 0A 39 7,-2.1 7,-2.7 -2,-0.3 2,-0.4 -0.986 21.7-178.7-124.9 134.3 15.6 31.3 42.1 79 593 A I E +F 84 0A 76 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.991 9.5 155.5-142.7 125.4 17.4 29.3 39.5 80 594 A T - 0 0 42 3,-2.9 -37,-0.0 -2,-0.4 -2,-0.0 -0.752 60.2 -90.8-131.6-177.7 21.1 28.5 39.2 81 595 A D S S+ 0 0 133 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.749 127.9 42.7 -65.6 -23.3 23.1 25.8 37.6 82 596 A Q S S+ 0 0 112 1,-0.2 -39,-2.2 -39,-0.1 -38,-0.7 0.838 121.7 0.6 -92.7 -37.3 22.8 23.9 40.9 83 597 A Y E -E 42 0A 59 -41,-0.2 -3,-2.9 -40,-0.2 2,-0.4 -0.973 45.6-142.3-152.3 157.3 19.2 24.4 41.9 84 598 A I E -EF 41 79A 3 -43,-1.9 -43,-2.0 -2,-0.3 2,-0.4 -0.977 16.0-175.2-116.4 138.9 15.7 25.7 41.3 85 599 A Y E -EF 40 78A 44 -7,-2.7 -7,-2.1 -2,-0.4 2,-0.5 -0.994 5.6-174.0-127.2 128.5 13.5 27.1 44.1 86 600 A M E -EF 39 77A 11 -47,-2.1 -47,-2.2 -2,-0.4 2,-0.5 -0.992 15.6-147.4-125.0 124.0 10.0 28.1 43.2 87 601 A V E +EF 38 76A 2 -11,-3.2 -12,-3.3 -2,-0.5 -11,-1.0 -0.813 35.0 165.5 -89.4 128.0 7.7 29.8 45.7 88 602 A M E -EF 37 74A 18 -51,-3.4 -51,-2.9 -2,-0.5 -14,-0.2 -0.834 41.6 -79.9-142.0 166.5 4.1 28.7 45.0 89 603 A E - 0 0 26 -16,-1.8 2,-0.5 -2,-0.3 -53,-0.1 -0.384 42.7-140.0 -60.9 149.7 0.5 28.6 46.2 90 604 A C - 0 0 25 -55,-0.3 -55,-0.1 -2,-0.1 -1,-0.0 -0.966 17.9-162.4-120.5 115.2 -0.1 25.7 48.6 91 605 A G - 0 0 18 -2,-0.5 51,-0.3 51,-0.1 3,-0.1 -0.126 27.8-110.4 -81.7-173.3 -3.4 23.9 48.3 92 606 A N S S- 0 0 123 49,-2.9 2,-0.3 1,-0.4 50,-0.1 0.821 84.5 -30.8 -85.2 -39.5 -5.1 21.6 50.8 93 607 A I E -H 141 0B 47 48,-0.9 48,-2.5 4,-0.0 -1,-0.4 -0.927 67.2 -97.5-176.2 154.6 -4.7 18.2 49.0 94 608 A D E > -H 140 0B 26 -2,-0.3 4,-2.0 46,-0.2 46,-0.3 -0.533 36.6-112.5 -85.5 163.1 -4.4 16.9 45.5 95 609 A L H > S+ 0 0 0 44,-2.9 4,-2.8 41,-0.6 42,-0.2 0.861 113.0 54.2 -66.6 -38.1 -7.4 15.5 43.7 96 610 A N H > S+ 0 0 51 40,-0.4 4,-2.2 43,-0.3 -1,-0.2 0.948 110.8 44.4 -63.2 -49.7 -6.2 12.0 43.6 97 611 A S H > S+ 0 0 33 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.912 115.7 50.7 -58.5 -40.3 -5.5 11.7 47.4 98 612 A W H X S+ 0 0 38 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.894 107.3 51.0 -67.6 -42.1 -8.8 13.4 47.9 99 613 A L H >< S+ 0 0 11 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.921 108.8 51.9 -64.3 -42.8 -10.8 11.0 45.7 100 614 A K H 3< S+ 0 0 108 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.819 112.7 46.1 -60.1 -32.8 -9.3 8.0 47.4 101 615 A K H 3< S+ 0 0 125 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.667 92.2 110.2 -81.1 -16.8 -10.3 9.4 50.9 102 616 A K << - 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0 0 58 -143,-2.1 2,-0.3 -144,-0.1 0, 0.0 -0.634 14.9-146.1-100.4 161.2 5.1 11.5 50.7 161 675 A X - 0 0 149 -2,-0.2 -143,-0.0 2,-0.1 -144,-0.0 -0.935 16.4-134.9-126.8 150.9 4.2 9.5 53.8 162 676 A X 0 0 215 -2,-0.3 -1,-0.0 1,-0.1 -2,-0.0 0.474 360.0 360.0 -83.7 -0.2 5.5 9.7 57.3 163 677 A X 0 0 199 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.798 360.0 360.0 -99.7 360.0 5.9 5.9 57.6 164 ! 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 0.0 165 685 A G 0 0 61 0, 0.0 4,-0.1 0, 0.0 41,-0.0 0.000 360.0 360.0 360.0 176.1 -4.7 4.1 38.4 166 686 A T + 0 0 93 2,-0.1 0, 0.0 1,-0.1 0, 0.0 0.592 360.0 27.0 -97.0 -14.8 -1.7 5.0 36.4 167 687 A V S > S+ 0 0 28 2,-0.1 3,-1.7 3,-0.1 -1,-0.1 0.513 91.4 92.2-121.3 -11.7 -3.4 3.8 33.1 168 688 A N T 3 S+ 0 0 7 1,-0.3 37,-0.2 38,-0.0 -2,-0.1 0.685 93.4 47.4 -58.7 -15.2 -7.1 4.1 33.7 169 689 A Y T 3 S+ 0 0 7 -4,-0.1 -1,-0.3 34,-0.1 -35,-0.2 0.444 78.7 122.3-105.0 -0.1 -7.0 7.6 32.1 170 690 A M < - 0 0 46 -3,-1.7 -37,-0.1 1,-0.1 -3,-0.1 -0.411 61.5-126.0 -73.4 129.0 -4.9 6.9 29.0 171 691 A P >> - 0 0 2 0, 0.0 4,-0.9 0, 0.0 3,-0.8 -0.492 13.6-123.0 -79.8 150.9 -6.8 7.8 25.8 172 692 A P H >> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-0.8 0.850 108.5 57.7 -60.7 -42.7 -7.2 5.3 23.1 173 693 A E H 3> S+ 0 0 11 1,-0.3 4,-1.4 2,-0.2 -3,-0.0 0.836 103.6 56.4 -59.8 -29.8 -5.6 7.2 20.3 174 694 A A H <4 S+ 0 0 24 -3,-0.8 -1,-0.3 2,-0.2 8,-0.1 0.773 110.0 44.6 -72.4 -28.4 -2.4 7.3 22.5 175 695 A I H << S+ 0 0 21 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.1 0.973 110.2 51.8 -72.6 -63.2 -2.4 3.5 22.7 176 696 A K H < S+ 0 0 116 -4,-2.3 2,-2.4 1,-0.3 -2,-0.2 0.777 93.2 81.4 -41.4 -34.8 -3.1 2.9 19.0 177 697 A D < 0 0 81 -4,-1.4 -1,-0.3 -5,-0.3 4,-0.1 -0.216 360.0 360.0 -71.4 49.1 -0.2 5.2 18.3 178 698 A M 0 0 190 -2,-2.4 -3,-0.0 -3,-0.0 -4,-0.0 -0.912 360.0 360.0-158.5 360.0 2.5 2.5 18.9 179 ! 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 0.0 180 709 A S 0 0 156 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -7.1 1.2 12.8 14.6 181 710 A K + 0 0 44 -4,-0.1 2,-0.5 -7,-0.0 -4,-0.1 0.300 360.0 95.7-139.7 10.5 -1.9 11.4 16.3 182 711 A I + 0 0 66 -8,-0.1 -52,-0.0 3,-0.0 0, 0.0 -0.915 48.8 164.0-102.8 129.9 -2.3 13.1 19.7 183 712 A S >> - 0 0 42 -2,-0.5 3,-1.7 -51,-0.0 4,-0.5 -0.798 56.2 -84.5-133.7 173.2 -4.7 16.1 19.7 184 713 A P H >> S+ 0 0 64 0, 0.0 3,-1.2 0, 0.0 4,-0.9 0.830 119.5 71.7 -47.2 -32.4 -6.7 18.3 22.1 185 714 A K H >> S+ 0 0 41 1,-0.3 4,-1.8 2,-0.2 3,-0.6 0.824 83.4 68.8 -59.7 -32.6 -9.4 15.6 22.1 186 715 A S H <> S+ 0 0 0 -3,-1.7 4,-1.8 1,-0.3 -1,-0.3 0.840 96.9 51.2 -55.2 -39.1 -7.1 13.3 24.1 187 716 A D H X S+ 0 0 3 -4,-3.0 4,-3.6 -5,-0.2 3,-0.9 0.967 108.7 50.1 -58.6 -51.1 -16.8 9.4 35.3 197 726 A Y H 3X S+ 0 0 38 -4,-2.6 4,-2.3 1,-0.3 5,-0.2 0.939 110.6 49.0 -50.3 -50.3 -14.8 8.5 38.5 198 727 A M H 3< S+ 0 0 4 -4,-2.3 -93,-0.3 1,-0.2 -1,-0.3 0.719 118.6 41.7 -66.8 -19.7 -16.5 11.4 40.3 199 728 A T H << S+ 0 0 23 -4,-1.3 -2,-0.2 -3,-0.9 -1,-0.2 0.910 128.3 22.9 -89.7 -52.6 -19.8 10.1 39.0 200 729 A Y H < S- 0 0 51 -4,-3.6 -3,-0.2 2,-0.3 -2,-0.2 0.383 97.5-117.6-102.7 5.2 -19.7 6.4 39.4 201 730 A G S < S+ 0 0 50 -4,-2.3 2,-0.3 -5,-0.4 -4,-0.2 0.604 90.7 61.9 73.4 13.7 -17.0 6.0 42.1 202 731 A K S S- 0 0 57 -6,-0.4 -2,-0.3 -5,-0.2 -3,-0.2 -0.982 85.8-105.5-166.1 151.2 -14.7 4.1 39.7 203 732 A T > - 0 0 0 -2,-0.3 3,-1.6 1,-0.1 4,-0.3 -0.525 46.9 -99.9 -85.4 160.3 -12.9 4.6 36.4 204 733 A P T 3 S+ 0 0 4 0, 0.0 22,-0.2 0, 0.0 3,-0.1 0.744 120.8 24.8 -56.7 -25.0 -14.4 2.9 33.3 205 734 A F T > S+ 0 0 0 -37,-0.2 3,-0.9 1,-0.1 12,-0.1 0.049 79.6 117.3-130.1 29.1 -11.9 -0.0 33.5 206 735 A Q T < S+ 0 0 77 -3,-1.6 -1,-0.1 1,-0.2 8,-0.0 0.758 75.3 63.4 -57.1 -27.8 -10.9 -0.1 37.2 207 736 A Q T 3 S+ 0 0 95 -4,-0.3 2,-0.8 -3,-0.1 -1,-0.2 0.756 87.0 75.1 -71.7 -28.1 -12.5 -3.6 37.2 208 737 A I < + 0 0 34 -3,-0.9 -1,-0.1 1,-0.2 6,-0.1 -0.794 58.5 174.9 -88.0 108.4 -10.0 -5.1 34.7 209 738 A I + 0 0 142 -2,-0.8 2,-0.2 4,-0.0 -1,-0.2 0.812 54.0 83.1 -95.4 -29.8 -6.8 -5.5 36.7 210 739 A N S > S- 0 0 100 1,-0.1 4,-1.3 2,-0.0 5,-0.1 -0.574 71.4-148.5 -69.1 140.1 -4.6 -7.3 34.1 211 740 A Q H > S+ 0 0 90 2,-0.2 4,-3.3 -2,-0.2 5,-0.3 0.826 92.5 55.8 -91.6 -39.1 -3.1 -4.6 31.9 212 741 A I H > S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.972 116.0 45.0 -50.9 -48.1 -2.7 -6.3 28.6 213 742 A S H > S+ 0 0 62 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.822 114.3 46.9 -66.0 -36.5 -6.5 -6.9 29.1 214 743 A K H X S+ 0 0 15 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.896 111.4 50.3 -74.0 -43.5 -7.2 -3.3 30.2 215 744 A L H X S+ 0 0 61 -4,-3.3 4,-1.2 1,-0.2 -2,-0.2 0.916 110.9 51.0 -57.3 -44.1 -5.2 -1.8 27.4 216 745 A H H X S+ 0 0 120 -4,-2.3 4,-1.1 -5,-0.3 3,-0.3 0.891 107.3 53.2 -58.9 -41.2 -7.1 -3.9 25.0 217 746 A A H < S+ 0 0 6 -4,-1.5 3,-0.3 1,-0.2 -1,-0.2 0.858 102.6 57.3 -69.6 -36.5 -10.5 -2.8 26.4 218 747 A I H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.865 113.8 38.2 -62.4 -35.7 -9.7 0.9 26.0 219 748 A I H < S+ 0 0 59 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.652 95.5 97.8 -90.5 -11.6 -9.1 0.6 22.3 220 749 A D >< - 0 0 62 -4,-1.1 3,-1.5 -3,-0.3 25,-0.0 -0.658 52.3-166.6 -88.7 113.0 -11.9 -2.0 21.6 221 750 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 0.776 86.8 64.4 -71.9 -24.0 -15.2 -0.5 20.3 222 751 A N T 3 S+ 0 0 151 1,-0.1 2,-0.8 2,-0.1 -2,-0.1 0.280 81.8 89.6 -80.9 10.8 -17.1 -3.7 20.9 223 752 A H S < S- 0 0 58 -3,-1.5 2,-0.3 -6,-0.2 -1,-0.1 -0.862 76.2-153.0-100.7 91.5 -16.4 -3.1 24.6 224 753 A E - 0 0 110 -2,-0.8 2,-0.2 1,-0.0 -2,-0.1 -0.513 10.1-135.5 -63.6 122.1 -19.5 -1.0 25.5 225 754 A I - 0 0 20 -2,-0.3 2,-0.3 18,-0.1 -20,-0.1 -0.597 24.0-117.0 -74.3 144.5 -18.6 1.2 28.4 226 755 A E + 0 0 144 -2,-0.2 -1,-0.1 -22,-0.2 0, 0.0 -0.625 32.0 176.6 -88.0 145.6 -21.4 1.2 31.1 227 756 A F - 0 0 44 -2,-0.3 3,-0.1 13,-0.0 13,-0.0 -0.558 18.0-156.1-144.2 70.6 -23.3 4.4 32.0 228 757 A P - 0 0 72 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.218 33.8 -96.4 -51.7 138.7 -26.0 3.5 34.5 229 758 A D - 0 0 78 2,-0.0 4,-0.1 1,-0.0 3,-0.0 -0.230 48.8-178.4 -52.3 142.1 -28.8 6.1 34.5 230 759 A I - 0 0 32 -3,-0.1 6,-0.1 2,-0.1 -31,-0.0 -0.899 43.7 -99.1-135.0 167.0 -28.5 8.8 37.2 231 760 A P S S+ 0 0 127 0, 0.0 2,-1.0 0, 0.0 -2,-0.0 0.790 109.4 71.3 -56.8 -30.0 -30.7 11.7 38.2 232 761 A E > + 0 0 50 1,-0.2 4,-1.6 2,-0.1 -2,-0.1 -0.764 57.3 178.2 -96.4 97.6 -28.5 14.1 36.1 233 762 A K H > S+ 0 0 124 -2,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.839 82.1 56.4 -66.7 -33.1 -29.1 13.4 32.5 234 763 A D H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.945 105.6 51.7 -63.0 -46.7 -26.7 16.2 31.4 235 764 A L H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 108.7 52.7 -51.9 -43.0 -24.0 14.5 33.5 236 765 A Q H X S+ 0 0 23 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.872 109.7 46.4 -64.0 -39.2 -24.8 11.3 31.6 237 766 A D H X S+ 0 0 75 -4,-1.9 4,-2.2 -3,-0.2 -1,-0.2 0.865 109.2 54.3 -74.1 -37.1 -24.5 12.9 28.2 238 767 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.936 111.0 45.6 -61.3 -46.5 -21.2 14.7 29.0 239 768 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 3,-0.3 0.964 111.9 51.6 -63.8 -48.8 -19.6 11.4 30.1 240 769 A K H < S+ 0 0 99 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.856 114.2 44.5 -54.4 -36.3 -21.0 9.6 27.0 241 770 A C H >< S+ 0 0 24 -4,-2.2 10,-1.9 1,-0.2 3,-0.6 0.754 111.6 51.6 -81.2 -29.1 -19.5 12.3 24.7 242 771 A C H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 -3,-0.3 -1,-0.2 0.902 108.6 52.5 -72.1 -37.7 -16.2 12.5 26.4 243 772 A L T 3< S+ 0 0 7 -4,-2.5 2,-0.5 -5,-0.2 -1,-0.2 0.093 71.6 129.1 -95.7 25.7 -15.6 8.7 26.2 244 773 A K < - 0 0 79 -3,-0.6 6,-0.1 1,-0.1 -55,-0.1 -0.683 53.9-144.4 -75.4 127.2 -16.2 8.2 22.5 245 774 A R S S+ 0 0 37 -2,-0.5 -1,-0.1 1,-0.1 -72,-0.1 0.723 83.4 77.0 -67.6 -28.2 -13.3 6.2 21.2 246 775 A D S >> S- 0 0 81 1,-0.2 3,-1.4 -74,-0.1 4,-0.5 -0.809 73.8-154.1 -88.0 107.2 -13.1 8.0 17.8 247 776 A P G >4 S+ 0 0 29 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.783 92.8 59.7 -53.6 -31.9 -11.4 11.3 18.8 248 777 A K G 34 S+ 0 0 176 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.870 109.5 41.8 -63.4 -37.6 -13.0 12.9 15.8 249 778 A Q G <4 S+ 0 0 144 -3,-1.4 -1,-0.2 2,-0.1 2,-0.2 0.402 96.9 105.3 -89.7 3.2 -16.5 12.0 17.1 250 779 A R S << S- 0 0 2 -3,-0.8 -8,-0.2 -4,-0.5 -9,-0.1 -0.537 81.0-101.4 -83.9 151.3 -15.4 13.0 20.7 251 780 A I - 0 0 20 -10,-1.9 2,-0.2 -2,-0.2 -1,-0.1 -0.389 35.3-130.6 -75.2 148.4 -16.7 16.3 22.1 252 781 A S > - 0 0 24 1,-0.1 4,-3.4 -2,-0.1 5,-0.1 -0.525 18.0-113.9 -95.6 164.3 -14.4 19.3 22.2 253 782 A I H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.912 118.4 49.9 -65.0 -45.3 -13.5 21.6 25.1 254 783 A P H 4 S+ 0 0 80 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.902 113.9 47.9 -62.6 -36.0 -15.2 24.6 23.5 255 784 A E H >4 S+ 0 0 115 1,-0.2 3,-2.4 2,-0.2 4,-0.3 0.974 109.1 52.5 -59.5 -57.3 -18.2 22.4 23.0 256 785 A L H >< S+ 0 0 0 -4,-3.4 3,-1.3 1,-0.3 6,-0.3 0.826 103.1 58.8 -52.4 -33.9 -18.1 21.1 26.5 257 786 A L T 3< S+ 0 0 52 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.697 106.6 48.4 -70.6 -17.5 -18.1 24.7 27.9 258 787 A A T < S+ 0 0 73 -3,-2.4 -1,-0.3 -4,-0.5 -2,-0.2 0.322 88.1 118.7 -96.4 4.9 -21.4 25.3 26.0 259 788 A H S X> S- 0 0 21 -3,-1.3 4,-1.6 -4,-0.3 3,-1.1 -0.387 73.7-122.6 -78.7 149.8 -23.0 22.1 27.4 260 789 A P H 3> S+ 0 0 50 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.855 107.1 68.5 -61.9 -32.0 -26.1 22.4 29.6 261 790 A Y H 34 S+ 0 0 2 1,-0.2 -26,-0.1 2,-0.2 -4,-0.1 0.857 114.0 28.0 -51.1 -39.1 -24.4 20.5 32.4 262 791 A V H <4 S+ 0 0 11 -3,-1.1 -1,-0.2 -6,-0.3 -5,-0.1 0.646 126.8 44.9 -97.0 -16.7 -22.1 23.5 32.9 263 792 A Q H < S+ 0 0 135 -4,-1.6 2,-0.4 1,-0.1 -2,-0.2 0.704 99.0 66.8-105.1 -23.1 -24.3 26.3 31.7 264 793 A I < 0 0 105 -4,-2.6 -1,-0.1 -5,-0.2 -5,-0.0 -0.888 360.0 360.0-108.9 130.0 -27.8 25.6 33.2 265 794 A Q 0 0 142 -2,-0.4 -1,-0.1 -3,-0.0 -4,-0.1 0.195 360.0 360.0 -80.3 360.0 -28.4 25.9 37.0