==== 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 29-MAY-09 3HMN . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN KINASE TTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.L.H.CHU,L.M.G.CHAVAS,D.H.WILLIAMS,L.TABERNERO,P.A.EYERS . 255 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14084.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 67.1 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 . 40 15.7 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 . 3 1.2 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 . 21 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 30.2 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 1 1 2 0 0 1 1 0 0 0 0 0 0 2 0 1 0 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 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 E 0 0 216 0, 0.0 11,-1.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-170.3 15.4 -32.7 1.7 2 517 A C E -A 11 0A 70 9,-0.2 2,-0.4 25,-0.0 9,-0.2 -0.877 360.0-144.0-138.8 163.7 14.9 -29.8 -0.8 3 518 A I E -A 10 0A 11 7,-2.3 7,-2.2 -2,-0.3 2,-0.5 -0.999 15.2-150.9-128.1 127.0 14.9 -28.7 -4.5 4 519 A S E +A 9 0A 55 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.879 16.9 178.9 -96.1 126.6 16.0 -25.3 -5.5 5 520 A V S S- 0 0 0 3,-2.0 -2,-0.0 -2,-0.5 72,-0.0 -0.945 73.5 -21.4-131.3 110.7 14.4 -24.0 -8.7 6 521 A K S S- 0 0 124 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.923 130.5 -47.7 54.7 48.1 15.3 -20.5 -9.9 7 522 A G S S+ 0 0 69 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.934 113.2 119.1 59.1 49.3 16.5 -19.6 -6.4 8 523 A R - 0 0 148 2,-0.0 -3,-2.0 21,-0.0 2,-0.4 -0.934 57.1-138.2-144.9 121.5 13.4 -20.9 -4.6 9 524 A I E -A 4 0A 106 -2,-0.3 2,-0.4 -5,-0.2 21,-0.3 -0.660 21.0-176.2 -84.0 126.9 13.5 -23.7 -2.0 10 525 A Y E -A 3 0A 13 -7,-2.2 -7,-2.3 -2,-0.4 2,-0.4 -0.970 16.7-139.9-119.2 139.8 10.8 -26.3 -2.2 11 526 A S E -AB 2 28A 46 17,-2.8 17,-2.0 -2,-0.4 2,-0.7 -0.855 18.4-122.0-105.6 138.3 10.5 -29.2 0.3 12 527 A I E + B 0 27A 53 -11,-1.5 15,-0.2 -2,-0.4 3,-0.1 -0.660 27.3 176.4 -87.2 108.9 9.5 -32.7 -0.8 13 528 A L E - 0 0 94 13,-2.0 2,-0.3 -2,-0.7 -1,-0.2 0.940 69.6 -41.1 -68.0 -50.5 6.4 -34.2 0.8 14 529 A K E - B 0 26A 113 12,-1.2 12,-2.8 2,-0.0 2,-0.5 -0.979 57.7 -93.9-167.2 167.4 6.6 -37.3 -1.3 15 530 A Q E - B 0 25A 66 -2,-0.3 2,-0.5 10,-0.2 10,-0.3 -0.814 34.8-137.1 -90.6 131.7 7.4 -38.8 -4.7 16 531 A I E S- B 0 24A 69 8,-2.2 8,-0.7 -2,-0.5 3,-0.3 -0.815 72.4 -27.3 -89.5 127.1 4.3 -39.3 -6.9 17 532 A G S S- 0 0 63 -2,-0.5 -2,-0.1 1,-0.2 2,-0.0 -0.416 87.6 -97.2 64.8-146.1 4.6 -42.7 -8.7 18 533 A S - 0 0 105 -2,-0.1 -1,-0.2 4,-0.0 5,-0.1 -0.379 45.0-179.7-169.2 91.1 8.2 -43.8 -9.2 19 534 A G - 0 0 44 -3,-0.3 2,-0.5 3,-0.2 4,-0.0 -0.282 28.2-117.3 -88.1 174.1 9.9 -43.1 -12.5 20 535 A G S S- 0 0 54 1,-0.1 3,-0.1 -2,-0.1 -2,-0.0 -0.961 94.5 -13.8-118.1 113.5 13.4 -43.9 -13.7 21 536 A S S S+ 0 0 65 -2,-0.5 20,-2.9 19,-0.1 2,-0.4 0.182 134.0 69.8 75.4 -16.9 15.6 -40.8 -14.7 22 537 A S E + C 0 40A 27 18,-0.2 2,-0.3 2,-0.0 18,-0.2 -0.998 66.2 174.3-123.7 135.8 12.3 -38.8 -14.5 23 538 A K E - C 0 39A 71 16,-2.6 16,-3.4 -2,-0.4 2,-0.4 -0.997 21.4-149.9-144.2 135.9 10.6 -38.2 -11.2 24 539 A V E -BC 16 38A 53 -8,-0.7 -8,-2.2 -2,-0.3 2,-0.4 -0.897 17.9-166.2-105.7 134.7 7.6 -36.2 -10.0 25 540 A F E -BC 15 37A 19 12,-1.9 12,-3.0 -2,-0.4 2,-0.5 -0.978 21.6-135.8-124.3 131.4 7.6 -34.8 -6.5 26 541 A Q E +BC 14 36A 42 -12,-2.8 -13,-2.0 -2,-0.4 -12,-1.2 -0.741 44.9 174.8 -75.6 123.8 4.8 -33.4 -4.4 27 542 A V E -BC 12 35A 0 8,-2.7 8,-2.8 -2,-0.5 2,-0.4 -0.916 30.4-142.4-138.0 161.6 6.4 -30.2 -2.9 28 543 A L E -BC 11 34A 31 -17,-2.0 -17,-2.8 -2,-0.3 6,-0.2 -0.977 16.1-142.7-123.5 137.4 5.7 -27.1 -0.8 29 544 A N > - 0 0 23 4,-2.0 3,-2.0 -2,-0.4 -19,-0.1 -0.199 46.3 -80.1 -82.8-176.7 7.2 -23.6 -1.2 30 545 A E T 3 S+ 0 0 162 -21,-0.3 -20,-0.1 1,-0.3 -1,-0.0 0.846 132.7 50.4 -53.7 -38.3 8.3 -21.3 1.7 31 546 A K T 3 S- 0 0 158 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.174 120.7-106.9 -89.4 16.3 4.6 -20.2 2.2 32 547 A K < + 0 0 146 -3,-2.0 2,-0.4 1,-0.2 -2,-0.1 0.766 67.3 152.7 61.9 30.5 3.4 -23.8 2.3 33 548 A Q - 0 0 94 1,-0.0 -4,-2.0 0, 0.0 2,-0.3 -0.761 43.8-121.5 -87.5 137.2 1.8 -23.7 -1.1 34 549 A I E +C 28 0A 81 -2,-0.4 55,-0.4 -6,-0.2 2,-0.3 -0.594 39.4 159.8 -88.3 137.3 1.6 -27.1 -2.9 35 550 A Y E -C 27 0A 33 -8,-2.8 -8,-2.7 -2,-0.3 2,-0.4 -0.884 35.6-122.5-139.6 171.3 3.2 -27.8 -6.3 36 551 A A E -CD 26 87A 11 51,-2.7 51,-2.6 -2,-0.3 2,-0.6 -0.995 23.0-158.9-118.3 127.4 4.4 -30.7 -8.3 37 552 A I E -CD 25 86A 0 -12,-3.0 -12,-1.9 -2,-0.4 2,-0.5 -0.928 2.0-157.0-112.4 114.7 8.0 -30.8 -9.5 38 553 A K E -CD 24 85A 80 47,-1.9 47,-2.0 -2,-0.6 2,-0.5 -0.777 10.8-163.5 -85.1 123.4 9.1 -32.9 -12.4 39 554 A Y E -CD 23 84A 47 -16,-3.4 -16,-2.6 -2,-0.5 2,-0.4 -0.943 6.6-174.6-107.2 131.9 12.8 -33.8 -12.3 40 555 A V E -CD 22 83A 9 43,-2.2 43,-2.0 -2,-0.5 2,-0.5 -0.995 17.0-145.1-127.3 127.4 14.5 -35.1 -15.5 41 556 A N E - D 0 82A 51 -20,-2.9 41,-0.2 -2,-0.4 3,-0.2 -0.809 13.9-175.1 -86.9 128.0 18.1 -36.3 -15.7 42 557 A L > + 0 0 9 39,-2.6 3,-2.1 -2,-0.5 40,-0.2 0.433 53.9 102.5-103.5 -1.5 19.6 -35.4 -19.1 43 558 A E T 3 S+ 0 0 133 38,-0.6 -1,-0.1 1,-0.3 39,-0.1 0.707 91.9 36.6 -62.0 -22.5 23.1 -37.1 -18.8 44 559 A E T 3 S+ 0 0 189 -3,-0.2 2,-0.5 2,-0.1 -1,-0.3 0.255 93.1 116.7-107.7 10.7 22.0 -40.0 -21.1 45 560 A A < - 0 0 26 -3,-2.1 111,-0.1 4,-0.1 -3,-0.0 -0.695 53.8-146.9 -89.6 123.5 19.8 -37.9 -23.4 46 561 A D > - 0 0 88 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.168 33.6 -97.0 -73.0 176.2 20.8 -37.6 -27.1 47 562 A N H > S+ 0 0 132 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.880 123.1 52.8 -67.9 -39.7 20.2 -34.4 -29.1 48 563 A Q H > S+ 0 0 127 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.895 112.5 46.5 -62.2 -40.2 16.9 -35.5 -30.7 49 564 A T H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 105,-0.2 0.937 113.3 47.9 -64.1 -50.1 15.6 -36.4 -27.2 50 565 A L H X S+ 0 0 28 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.925 110.3 53.8 -55.2 -46.8 16.8 -33.0 -25.8 51 566 A D H X S+ 0 0 102 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.895 111.0 44.5 -55.7 -45.1 15.2 -31.3 -28.8 52 567 A S H X S+ 0 0 14 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.810 110.7 54.4 -73.2 -31.3 11.8 -32.9 -28.2 53 568 A Y H X S+ 0 0 35 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.901 111.9 44.8 -65.0 -43.7 12.0 -32.2 -24.4 54 569 A R H X S+ 0 0 120 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.841 110.5 55.1 -66.9 -37.5 12.6 -28.5 -25.2 55 570 A N H X S+ 0 0 61 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.913 109.3 45.8 -64.9 -42.9 9.8 -28.5 -27.7 56 571 A E H X S+ 0 0 25 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.877 112.7 50.7 -68.6 -36.4 7.3 -29.9 -25.2 57 572 A I H X S+ 0 0 11 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.897 110.4 51.8 -64.2 -38.9 8.5 -27.4 -22.6 58 573 A A H X S+ 0 0 51 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.947 113.7 40.9 -60.9 -53.0 8.0 -24.6 -25.2 59 574 A Y H X S+ 0 0 80 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.889 114.4 51.7 -66.8 -41.7 4.5 -25.6 -26.2 60 575 A L H X S+ 0 0 7 -4,-2.4 4,-1.1 1,-0.2 13,-0.2 0.944 112.5 46.7 -60.1 -48.1 3.4 -26.2 -22.6 61 576 A N H < S+ 0 0 66 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.873 118.1 43.7 -56.7 -40.3 4.7 -22.8 -21.6 62 577 A K H >< S+ 0 0 131 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.913 111.7 48.1 -75.6 -48.8 3.0 -21.2 -24.6 63 578 A L H >X S+ 0 0 0 -4,-3.3 3,-1.7 1,-0.2 4,-1.1 0.616 88.7 89.3 -74.7 -12.8 -0.5 -22.8 -24.5 64 579 A Q G >< S+ 0 0 23 -4,-1.1 3,-0.6 -5,-0.3 6,-0.2 0.895 84.0 51.4 -45.8 -52.9 -0.9 -22.2 -20.8 65 580 A Q G <4 S+ 0 0 141 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.461 105.0 58.9 -73.6 -0.7 -2.5 -18.7 -21.3 66 581 A H G <4 S+ 0 0 105 -3,-1.7 2,-0.3 1,-0.3 -1,-0.2 0.774 115.7 14.4 -96.7 -33.1 -5.1 -20.1 -23.8 67 582 A S X< - 0 0 7 -4,-1.1 3,-0.8 -3,-0.6 -1,-0.3 -0.998 48.8-151.6-144.5 139.5 -6.8 -22.7 -21.6 68 583 A D T 3 S+ 0 0 85 -2,-0.3 4,-0.1 1,-0.2 -4,-0.1 0.266 94.7 78.7 -87.4 9.0 -6.9 -23.6 -17.9 69 584 A K T 3 S+ 0 0 20 2,-0.1 78,-2.5 49,-0.1 2,-0.4 0.271 80.1 81.4 -94.0 4.9 -7.6 -27.2 -19.0 70 585 A I B < S-f 147 0B 2 -3,-0.8 78,-0.2 -6,-0.2 3,-0.1 -0.932 100.4-100.5-102.8 138.2 -3.8 -27.4 -19.7 71 586 A I - 0 0 0 76,-1.9 2,-0.4 -2,-0.4 -2,-0.1 -0.294 41.5-112.5 -58.1 135.8 -1.7 -28.1 -16.6 72 587 A R - 0 0 119 -4,-0.1 16,-2.5 1,-0.0 2,-0.7 -0.607 23.7-160.4 -79.9 124.8 -0.1 -24.8 -15.3 73 588 A L E +E 87 0A 4 -2,-0.4 14,-0.2 -13,-0.2 3,-0.1 -0.915 11.2 179.6-103.3 103.8 3.7 -24.6 -15.6 74 589 A Y E - 0 0 98 12,-1.6 2,-0.3 -2,-0.7 13,-0.2 0.836 60.2 -28.7 -76.0 -35.7 4.8 -21.9 -13.1 75 590 A D E -E 86 0A 55 11,-1.4 11,-3.0 2,-0.0 2,-0.3 -0.964 55.4-157.1-172.7 158.6 8.5 -22.0 -13.7 76 591 A Y E -E 85 0A 65 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.988 9.8-149.0-148.6 158.5 11.3 -24.3 -14.8 77 592 A E E -E 84 0A 37 7,-2.6 7,-3.0 -2,-0.3 2,-0.4 -1.000 21.4-178.7-126.9 128.4 15.1 -24.6 -14.5 78 593 A I E +E 83 0A 73 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.988 11.2 152.1-136.8 120.7 17.0 -26.3 -17.3 79 594 A T - 0 0 46 3,-2.6 -2,-0.0 -2,-0.4 0, 0.0 -0.556 59.3 -89.0-125.6-165.4 20.7 -27.0 -17.6 80 595 A D S S+ 0 0 131 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.716 124.7 43.4 -81.3 -22.0 22.8 -29.6 -19.5 81 596 A Q S S- 0 0 102 1,-0.2 -39,-2.6 -39,-0.1 -38,-0.6 0.780 122.8 -5.3 -92.4 -32.0 22.6 -32.0 -16.6 82 597 A Y E -D 41 0A 57 -41,-0.2 -3,-2.6 -40,-0.2 2,-0.4 -0.942 49.0-134.1-155.3 168.8 18.9 -31.7 -15.5 83 598 A I E -DE 40 78A 3 -43,-2.0 -43,-2.2 -2,-0.3 2,-0.4 -0.998 12.6-170.1-130.4 137.8 15.5 -30.2 -15.8 84 599 A Y E -DE 39 77A 47 -7,-3.0 -7,-2.6 -2,-0.4 2,-0.5 -0.999 5.9-169.4-119.3 133.3 13.2 -29.0 -13.0 85 600 A M E -DE 38 76A 13 -47,-2.0 -47,-1.9 -2,-0.4 2,-0.6 -0.974 10.8-152.4-124.1 117.6 9.6 -28.1 -13.8 86 601 A V E +DE 37 75A 0 -11,-3.0 -12,-1.6 -2,-0.5 -11,-1.4 -0.801 32.0 172.3 -88.4 121.7 7.5 -26.4 -11.1 87 602 A M E -DE 36 73A 25 -51,-2.6 -51,-2.7 -2,-0.6 -14,-0.2 -0.864 40.1 -86.1-132.8 159.3 3.8 -27.2 -11.8 88 603 A E - 0 0 28 -16,-2.5 2,-0.5 -2,-0.3 -53,-0.2 -0.394 51.5-122.3 -55.7 137.5 0.3 -27.0 -10.6 89 604 A C - 0 0 20 -55,-0.4 2,-0.2 -2,-0.1 -1,-0.1 -0.803 26.2-159.8-100.1 121.8 -0.4 -30.0 -8.3 90 605 A G - 0 0 15 -2,-0.5 51,-0.2 1,-0.1 3,-0.1 -0.587 19.8-131.0 -98.1 160.8 -3.3 -32.4 -9.1 91 606 A N S S- 0 0 117 49,-2.7 2,-0.3 1,-0.3 50,-0.1 0.971 77.9 -26.4 -70.4 -57.2 -5.2 -34.8 -6.9 92 607 A I E -G 140 0B 43 48,-0.7 48,-3.2 3,-0.0 -1,-0.3 -0.983 64.8-101.6-160.7 148.2 -5.0 -38.0 -9.0 93 608 A D E > -G 139 0B 38 -2,-0.3 4,-1.8 46,-0.3 46,-0.3 -0.493 36.5-115.2 -76.8 153.0 -4.7 -39.0 -12.7 94 609 A L H > S+ 0 0 0 44,-2.5 4,-2.3 41,-0.7 42,-0.2 0.842 112.7 55.1 -58.4 -36.9 -7.9 -40.1 -14.5 95 610 A N H > S+ 0 0 45 40,-0.4 4,-2.4 43,-0.4 -1,-0.2 0.926 108.0 47.0 -64.9 -46.5 -6.7 -43.7 -15.0 96 611 A S H > S+ 0 0 42 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.851 113.7 49.8 -61.9 -36.0 -6.0 -44.3 -11.3 97 612 A W H < S+ 0 0 32 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.864 111.5 47.3 -72.6 -38.9 -9.4 -42.8 -10.4 98 613 A L H >< S+ 0 0 18 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.915 104.3 61.1 -67.1 -44.4 -11.3 -45.0 -12.9 99 614 A K H 3< S+ 0 0 147 -4,-2.4 2,-0.5 1,-0.3 -1,-0.2 0.807 106.6 47.2 -53.3 -35.2 -9.5 -48.2 -11.9 100 615 A K T 3< S+ 0 0 141 -4,-0.9 -1,-0.3 -5,-0.1 2,-0.2 -0.574 102.1 75.8-107.5 65.5 -11.0 -47.8 -8.3 101 616 A K < - 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0 0 1 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.381 46.2-100.5 -73.8 159.0 -12.6 -50.0 -23.7 196 733 A P T 3 S+ 0 0 6 0, 0.0 3,-0.3 0, 0.0 22,-0.2 0.868 118.9 27.0 -50.1 -49.7 -14.2 -51.2 -27.0 197 734 A F T > S+ 0 0 2 -35,-0.3 3,-1.0 1,-0.2 12,-0.1 -0.029 84.1 118.1-106.2 29.4 -11.8 -54.1 -27.7 198 735 A Q T < + 0 0 84 -3,-1.8 -1,-0.2 1,-0.2 8,-0.1 0.802 67.1 64.3 -65.4 -30.1 -10.8 -54.8 -24.1 199 736 A Q T 3 S+ 0 0 101 -3,-0.3 2,-1.3 -4,-0.3 -1,-0.2 0.735 81.4 85.9 -68.8 -22.7 -12.1 -58.4 -24.2 200 737 A I < + 0 0 31 -3,-1.0 6,-0.2 1,-0.2 -1,-0.1 -0.649 54.2 178.3 -84.2 93.3 -9.6 -59.4 -26.9 201 738 A I + 0 0 143 -2,-1.3 2,-0.7 4,-0.1 -1,-0.2 0.797 59.0 86.1 -67.2 -30.0 -6.5 -60.4 -24.8 202 739 A N S > S- 0 0 82 1,-0.2 4,-2.9 2,-0.1 3,-0.2 -0.652 70.5-154.0 -76.2 115.9 -4.5 -61.5 -27.9 203 740 A Q H > S+ 0 0 100 -2,-0.7 4,-2.2 1,-0.2 5,-0.2 0.820 91.3 53.1 -66.0 -35.4 -2.8 -58.2 -29.0 204 741 A I H > S+ 0 0 119 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.900 113.6 44.7 -65.1 -40.7 -2.4 -59.3 -32.7 205 742 A S H > S+ 0 0 55 -3,-0.2 4,-3.2 2,-0.2 3,-0.3 0.939 108.5 57.9 -64.4 -48.2 -6.1 -60.1 -32.8 206 743 A K H X S+ 0 0 12 -4,-2.9 4,-2.2 1,-0.3 -2,-0.2 0.916 106.7 47.5 -48.5 -52.2 -7.0 -56.9 -31.0 207 744 A L H X S+ 0 0 53 -4,-2.2 4,-1.5 1,-0.2 -1,-0.3 0.839 112.0 50.3 -61.8 -35.4 -5.3 -54.8 -33.7 208 745 A H H X S+ 0 0 118 -4,-1.4 4,-0.9 -3,-0.3 -1,-0.2 0.914 108.4 53.0 -66.5 -42.6 -7.1 -56.8 -36.3 209 746 A A H >< S+ 0 0 6 -4,-3.2 3,-0.5 1,-0.2 -2,-0.2 0.891 107.9 51.9 -56.0 -42.0 -10.4 -56.2 -34.5 210 747 A I H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.857 116.3 38.0 -65.8 -37.0 -9.7 -52.5 -34.5 211 748 A I H 3< S+ 0 0 49 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.445 94.3 100.4 -95.6 0.0 -9.0 -52.3 -38.3 212 749 A D X< - 0 0 60 -4,-0.9 3,-1.9 -3,-0.5 25,-0.0 -0.788 54.1-162.3 -97.9 109.6 -11.8 -54.8 -39.3 213 750 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 24,-0.1 0.863 92.7 59.0 -52.3 -40.1 -15.0 -53.3 -40.7 214 751 A N T 3 S+ 0 0 143 1,-0.1 2,-1.1 2,-0.1 -5,-0.1 0.554 86.0 83.6 -71.8 -9.1 -16.8 -56.6 -40.1 215 752 A H S < S- 0 0 58 -3,-1.9 2,-0.3 -6,-0.2 -1,-0.1 -0.786 75.9-160.5 -91.2 92.9 -16.0 -56.4 -36.3 216 753 A E - 0 0 166 -2,-1.1 2,-0.3 1,-0.1 -2,-0.1 -0.596 13.3-125.7 -84.1 133.1 -18.8 -54.2 -35.2 217 754 A I - 0 0 27 -2,-0.3 2,-0.3 18,-0.2 -1,-0.1 -0.555 25.0-124.0 -78.1 135.2 -18.4 -52.3 -31.9 218 755 A E - 0 0 141 -2,-0.3 -1,-0.1 -22,-0.2 0, 0.0 -0.619 22.9-173.4 -84.8 137.9 -21.2 -52.9 -29.4 219 756 A F - 0 0 38 -2,-0.3 3,-0.1 3,-0.0 -1,-0.0 -0.701 17.0-152.4-129.3 77.0 -23.1 -49.9 -28.0 220 757 A P - 0 0 51 0, 0.0 -2,-0.0 0, 0.0 8,-0.0 -0.237 33.0 -95.8 -51.0 131.9 -25.5 -51.2 -25.3 221 758 A D + 0 0 133 2,-0.0 4,-0.1 1,-0.0 3,-0.1 -0.176 51.4 177.0 -53.1 139.4 -28.6 -49.0 -24.9 222 759 A I - 0 0 30 -3,-0.1 6,-0.1 1,-0.1 -1,-0.0 -0.938 42.7-104.9-140.9 159.5 -28.4 -46.4 -22.1 223 760 A P S S+ 0 0 125 0, 0.0 2,-1.4 0, 0.0 3,-0.1 0.915 107.3 68.0 -48.7 -51.6 -30.5 -43.6 -20.8 224 761 A E > + 0 0 48 1,-0.2 4,-1.7 2,-0.1 5,-0.1 -0.601 60.1 176.5 -79.5 93.1 -28.4 -40.8 -22.3 225 762 A K H > S+ 0 0 107 -2,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.763 79.6 58.7 -70.2 -25.6 -29.1 -41.3 -26.0 226 763 A D H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.936 105.0 49.4 -64.0 -48.9 -26.9 -38.3 -26.8 227 764 A L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.897 108.8 53.2 -54.4 -46.7 -23.9 -39.9 -25.1 228 765 A Q H X S+ 0 0 15 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.885 109.1 49.4 -56.4 -43.2 -24.5 -43.1 -27.1 229 766 A D H X S+ 0 0 76 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.906 107.3 54.0 -65.1 -43.6 -24.5 -41.0 -30.3 230 767 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.922 109.1 49.4 -56.0 -44.7 -21.2 -39.3 -29.3 231 768 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.912 110.9 48.8 -63.7 -42.9 -19.6 -42.7 -28.8 232 769 A K H < S+ 0 0 96 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.906 113.1 47.9 -62.7 -41.6 -20.8 -44.0 -32.2 233 770 A C H >< S+ 0 0 18 -4,-2.5 10,-1.1 1,-0.2 3,-0.9 0.881 112.2 47.3 -68.3 -42.5 -19.5 -40.9 -34.0 234 771 A C H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.837 110.3 54.0 -65.8 -35.8 -16.1 -40.8 -32.3 235 772 A L T 3< S+ 0 0 8 -4,-1.8 2,-0.6 -5,-0.2 -1,-0.2 -0.042 72.6 128.5 -96.4 32.1 -15.5 -44.6 -33.0 236 773 A K < - 0 0 91 -3,-0.9 6,-0.2 1,-0.1 -55,-0.1 -0.805 55.1-144.0 -86.6 118.7 -16.2 -44.5 -36.8 237 774 A R S S+ 0 0 38 -2,-0.6 -70,-0.2 4,-0.1 -1,-0.1 0.790 81.9 77.9 -56.3 -37.5 -13.2 -46.2 -38.5 238 775 A D S > S- 0 0 79 1,-0.2 4,-1.5 -72,-0.1 3,-0.4 -0.670 73.5-151.2 -76.2 114.4 -13.1 -43.9 -41.5 239 776 A P T 4 S+ 0 0 36 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.875 96.2 55.8 -52.8 -40.8 -11.4 -40.7 -40.3 240 777 A K T 4 S+ 0 0 174 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.904 111.1 43.7 -57.8 -43.7 -13.4 -38.7 -42.9 241 778 A Q T 4 S+ 0 0 121 -3,-0.4 -1,-0.2 2,-0.1 2,-0.1 0.668 96.3 100.9 -74.5 -20.0 -16.7 -40.0 -41.5 242 779 A R S < S- 0 0 3 -4,-1.5 -8,-0.2 -3,-0.3 2,-0.1 -0.398 82.2-105.9 -70.7 146.4 -15.5 -39.5 -37.9 243 780 A I - 0 0 19 -10,-1.1 -1,-0.1 -13,-0.1 2,-0.1 -0.403 31.9-130.6 -73.2 143.3 -16.7 -36.4 -36.0 244 781 A S > - 0 0 28 -2,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.361 22.2-108.5 -87.4 172.1 -14.3 -33.5 -35.5 245 782 A I H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.923 119.2 51.3 -68.9 -46.7 -13.6 -31.7 -32.2 246 783 A P H > S+ 0 0 80 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.885 110.9 50.9 -57.5 -37.3 -15.5 -28.5 -33.2 247 784 A E H >> S+ 0 0 113 1,-0.2 3,-0.9 2,-0.2 4,-0.6 0.914 108.4 51.3 -61.6 -44.5 -18.5 -30.7 -34.1 248 785 A L H >< S+ 0 0 0 -4,-1.9 3,-0.5 1,-0.2 6,-0.3 0.822 103.4 59.0 -63.3 -30.1 -18.2 -32.5 -30.7 249 786 A L H 3< S+ 0 0 54 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.718 110.2 42.9 -72.5 -20.2 -18.3 -29.0 -29.0 250 787 A A H << S+ 0 0 73 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.431 88.9 119.4 -99.3 -3.9 -21.7 -28.3 -30.6 251 788 A H S XX S- 0 0 16 -4,-0.6 4,-1.4 -3,-0.5 3,-1.1 -0.310 74.1-121.5 -64.4 143.0 -23.0 -31.8 -29.9 252 789 A P H 3> S+ 0 0 49 0, 0.0 4,-2.2 0, 0.0 3,-0.4 0.873 107.9 68.4 -51.1 -40.7 -26.2 -32.0 -27.7 253 790 A Y H 34 S+ 0 0 1 1,-0.3 -26,-0.1 -27,-0.2 -4,-0.1 0.836 111.7 31.3 -48.3 -39.9 -24.3 -34.2 -25.2 254 791 A V H <4 S+ 0 0 14 -3,-1.1 -1,-0.3 -6,-0.3 -5,-0.1 0.638 128.1 39.1 -95.0 -17.3 -22.1 -31.3 -24.2 255 792 A Q H < S+ 0 0 129 -4,-1.4 2,-0.4 -3,-0.4 -2,-0.2 0.883 92.3 80.2 -99.0 -50.3 -24.6 -28.4 -24.8 256 793 A I < 0 0 111 -4,-2.2 -1,-0.1 -5,-0.2 -5,-0.0 -0.472 360.0 360.0 -77.1 122.8 -28.0 -29.4 -23.6 257 794 A Q 0 0 230 -2,-0.4 -1,-0.1 -3,-0.0 -3,-0.1 -0.567 360.0 360.0 -76.1 360.0 -28.7 -29.2 -19.9