==== 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 3HMP . 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 . 258 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.0 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 . 43 16.7 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 . 13 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 29.5 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 2 1 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 0 2 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 0 169 0, 0.0 11,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.7 -50.5 -19.3 1.4 2 517 A C E -A 11 0A 81 9,-0.2 2,-0.4 25,-0.1 9,-0.2 -0.955 360.0-152.8-148.2 156.9 -50.2 -22.3 -1.0 3 518 A I E -A 10 0A 13 7,-2.4 7,-2.7 -2,-0.3 2,-0.4 -0.993 13.3-148.3-132.4 138.3 -50.5 -23.6 -4.6 4 519 A S E -A 9 0A 58 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.885 15.3-179.5-104.5 140.6 -51.4 -27.1 -5.7 5 520 A V E > S-A 8 0A 0 3,-2.3 3,-1.7 -2,-0.4 72,-0.0 -0.918 72.5 -20.8-143.4 114.1 -49.9 -28.5 -9.0 6 521 A K T 3 S- 0 0 127 -2,-0.3 3,-0.1 1,-0.3 71,-0.0 0.897 129.0 -49.6 51.8 45.1 -50.8 -32.0 -10.2 7 522 A G T 3 S+ 0 0 57 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.003 114.2 116.3 90.4 -27.4 -51.9 -32.9 -6.7 8 523 A R E < -A 5 0A 141 -3,-1.7 -3,-2.3 1,-0.0 2,-0.4 -0.598 57.9-138.7 -86.7 133.4 -48.8 -31.7 -4.9 9 524 A I E -A 4 0A 101 -2,-0.3 2,-0.4 -5,-0.2 21,-0.4 -0.730 17.4-170.9 -96.2 135.9 -49.0 -28.8 -2.4 10 525 A Y E -A 3 0A 11 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.4 -0.991 13.9-143.3-127.4 130.0 -46.4 -26.0 -2.4 11 526 A S E -AB 2 28A 38 17,-2.2 17,-2.1 -2,-0.4 2,-0.4 -0.799 23.2-124.6 -94.0 138.8 -46.1 -23.3 0.3 12 527 A I E + B 0 27A 25 -11,-2.1 15,-0.3 -2,-0.4 3,-0.1 -0.667 26.8 178.0 -87.0 130.3 -45.1 -19.8 -0.9 13 528 A L E - 0 0 86 13,-3.2 2,-0.3 1,-0.4 14,-0.2 0.802 67.1 -37.5 -92.6 -43.9 -42.0 -18.1 0.6 14 529 A K E - B 0 26A 116 12,-1.3 12,-2.8 0, 0.0 2,-0.5 -0.977 59.8 -90.5-166.9 171.2 -42.2 -14.9 -1.5 15 530 A Q E + B 0 25A 83 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.865 34.8 170.6 -93.1 125.7 -42.9 -13.5 -5.0 16 531 A I E + 0 0 79 8,-2.1 2,-0.4 -2,-0.5 9,-0.2 0.848 66.6 53.9 -89.1 -57.3 -39.8 -13.4 -7.2 17 532 A G E S- B 0 24A 17 7,-1.4 7,-1.4 1,-0.0 2,-0.3 -0.692 76.4-157.5 -98.1 133.9 -41.5 -12.4 -10.5 18 533 A S - 0 0 96 -2,-0.4 4,-0.1 5,-0.2 5,-0.0 -0.751 33.0 -6.9-121.5 145.7 -43.7 -9.4 -10.6 19 534 A G S S+ 0 0 47 -2,-0.3 3,-0.4 1,-0.1 2,-0.1 0.555 76.4 69.7 63.4 159.1 -46.6 -7.9 -12.6 20 535 A G S S- 0 0 60 1,-0.2 -1,-0.1 136,-0.1 136,-0.0 -0.363 107.5 -55.9 89.8-175.6 -48.4 -8.8 -15.9 21 536 A S S S+ 0 0 41 -2,-0.1 20,-2.8 19,-0.1 2,-0.4 0.503 125.2 75.5 -70.9 -2.6 -50.7 -11.7 -16.3 22 537 A S E + C 0 40A 20 -3,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.920 56.9 175.5-119.2 133.6 -47.6 -13.7 -15.1 23 538 A K E - C 0 39A 74 16,-2.8 16,-3.6 -2,-0.4 2,-0.4 -0.973 16.3-149.8-131.6 149.3 -46.1 -14.1 -11.6 24 539 A V E -BC 17 38A 38 -7,-1.4 -8,-2.1 -2,-0.3 -7,-1.4 -0.978 15.9-166.6-119.1 133.3 -43.2 -16.2 -10.3 25 540 A F E -BC 15 37A 18 12,-2.3 12,-2.7 -2,-0.4 2,-0.5 -0.935 21.9-132.7-120.9 143.4 -43.1 -17.5 -6.7 26 541 A Q E +BC 14 36A 40 -12,-2.8 -13,-3.2 -2,-0.4 -12,-1.3 -0.833 45.6 168.2 -87.9 127.6 -40.4 -19.0 -4.5 27 542 A V E -BC 12 35A 0 8,-2.9 8,-2.4 -2,-0.5 2,-0.4 -0.884 32.1-137.1-141.1 166.9 -42.0 -22.1 -2.9 28 543 A L E -BC 11 34A 26 -17,-2.1 -17,-2.2 -2,-0.3 6,-0.2 -0.990 16.7-137.5-128.3 137.9 -41.3 -25.3 -1.0 29 544 A N > - 0 0 14 4,-2.2 3,-2.4 -2,-0.4 -19,-0.1 -0.240 47.0 -85.2 -79.6-179.6 -42.8 -28.8 -1.5 30 545 A E T 3 S+ 0 0 174 -21,-0.4 -20,-0.1 1,-0.3 -1,-0.1 0.790 133.2 54.5 -64.6 -24.4 -44.0 -30.9 1.5 31 546 A K T 3 S- 0 0 151 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.246 121.1-110.6 -85.8 10.3 -40.4 -32.1 1.9 32 547 A K < + 0 0 146 -3,-2.4 2,-0.4 1,-0.2 -2,-0.1 0.723 65.3 153.7 62.5 27.2 -39.2 -28.5 2.1 33 548 A Q - 0 0 95 1,-0.0 -4,-2.2 0, 0.0 -1,-0.2 -0.701 43.8-120.2 -81.6 136.2 -37.4 -28.7 -1.3 34 549 A I E +C 28 0A 82 -2,-0.4 55,-0.3 -6,-0.2 2,-0.3 -0.552 40.6 158.6 -84.7 141.9 -37.2 -25.2 -2.9 35 550 A Y E -C 27 0A 36 -8,-2.4 -8,-2.9 -2,-0.2 2,-0.5 -0.941 37.7-121.2-147.0 163.7 -38.7 -24.4 -6.4 36 551 A A E -CD 26 87A 9 51,-2.9 51,-3.2 -2,-0.3 2,-0.6 -0.975 24.0-156.8-105.6 128.6 -39.9 -21.5 -8.5 37 552 A I E -CD 25 86A 0 -12,-2.7 -12,-2.3 -2,-0.5 2,-0.5 -0.939 3.5-154.2-104.9 117.4 -43.6 -21.7 -9.6 38 553 A K E -CD 24 85A 67 47,-2.7 47,-2.8 -2,-0.6 2,-0.5 -0.807 12.1-164.3 -87.1 126.2 -44.5 -19.6 -12.6 39 554 A Y E -CD 23 84A 44 -16,-3.6 -16,-2.8 -2,-0.5 2,-0.4 -0.968 7.2-174.8-114.2 124.4 -48.1 -18.6 -12.7 40 555 A V E -CD 22 83A 7 43,-2.6 43,-2.1 -2,-0.5 2,-0.6 -0.986 16.8-146.3-118.5 128.0 -49.9 -17.4 -15.8 41 556 A N E - D 0 82A 57 -20,-2.8 3,-0.3 -2,-0.4 41,-0.3 -0.828 12.9-172.3 -87.8 120.0 -53.5 -16.1 -15.9 42 557 A L > + 0 0 9 39,-2.4 3,-1.6 -2,-0.6 40,-0.2 0.379 51.3 107.3 -96.6 5.1 -55.0 -17.0 -19.2 43 558 A E T 3 S+ 0 0 116 38,-0.5 -1,-0.2 1,-0.3 39,-0.1 0.805 88.5 32.4 -58.4 -35.0 -58.4 -15.1 -19.0 44 559 A E T 3 S+ 0 0 200 -3,-0.3 2,-0.5 2,-0.0 -1,-0.3 0.232 91.9 119.2-106.1 15.3 -57.6 -12.4 -21.5 45 560 A A < - 0 0 24 -3,-1.6 -3,-0.0 4,-0.1 111,-0.0 -0.710 52.1-146.6 -92.6 122.2 -55.3 -14.4 -23.8 46 561 A D > - 0 0 80 -2,-0.5 4,-2.8 1,-0.1 5,-0.1 -0.178 34.9 -95.5 -72.6 174.8 -56.3 -14.9 -27.5 47 562 A N H > S+ 0 0 117 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.848 123.3 52.8 -68.2 -37.2 -55.5 -18.1 -29.4 48 563 A Q H > S+ 0 0 134 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.919 112.7 45.9 -63.3 -44.0 -52.3 -16.8 -30.9 49 564 A T H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 105,-0.4 0.957 113.5 49.5 -60.0 -53.4 -51.0 -15.8 -27.5 50 565 A L H X S+ 0 0 28 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.894 108.9 53.0 -50.7 -48.1 -52.2 -19.2 -26.1 51 566 A D H X S+ 0 0 87 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.837 106.7 51.6 -59.6 -38.0 -50.4 -21.0 -28.9 52 567 A S H X S+ 0 0 13 -4,-1.7 4,-2.1 -3,-0.3 -1,-0.2 0.864 110.5 50.0 -67.1 -35.2 -47.1 -19.2 -28.2 53 568 A Y H X S+ 0 0 26 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.895 112.0 45.7 -67.9 -46.4 -47.4 -20.3 -24.5 54 569 A R H X S+ 0 0 114 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.824 112.9 52.6 -63.9 -36.2 -48.0 -23.9 -25.3 55 570 A N H X S+ 0 0 74 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.889 109.8 46.3 -70.3 -41.2 -45.2 -23.9 -27.9 56 571 A E H X S+ 0 0 21 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.922 113.4 50.0 -68.7 -38.6 -42.6 -22.5 -25.4 57 572 A I H X S+ 0 0 12 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.910 110.2 50.0 -63.0 -45.6 -43.7 -25.0 -22.7 58 573 A A H X S+ 0 0 56 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.896 114.2 44.8 -59.5 -43.2 -43.4 -27.9 -25.2 59 574 A Y H X S+ 0 0 70 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.919 111.4 51.6 -69.2 -44.8 -39.9 -26.8 -26.2 60 575 A L H X S+ 0 0 8 -4,-2.8 4,-0.8 1,-0.2 13,-0.2 0.901 112.1 49.0 -56.7 -41.6 -38.7 -26.2 -22.7 61 576 A N H < S+ 0 0 59 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.887 115.9 41.6 -64.7 -45.1 -40.0 -29.7 -21.8 62 577 A K H >< S+ 0 0 92 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.915 113.4 49.5 -68.3 -48.5 -38.2 -31.3 -24.7 63 578 A L H >X S+ 0 0 0 -4,-3.2 3,-1.6 1,-0.2 4,-0.8 0.582 89.4 84.4 -77.6 -8.2 -34.9 -29.5 -24.6 64 579 A Q G >< S+ 0 0 19 -4,-0.8 3,-0.8 1,-0.3 -1,-0.2 0.905 87.5 52.6 -53.3 -48.2 -34.4 -30.1 -20.9 65 580 A Q G <4 S+ 0 0 139 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.449 104.1 60.6 -68.5 -4.0 -33.0 -33.5 -21.6 66 581 A H G <4 S+ 0 0 100 -3,-1.6 2,-0.3 1,-0.3 -1,-0.2 0.639 114.2 9.4-105.4 -19.3 -30.4 -32.0 -24.0 67 582 A S X< - 0 0 7 -3,-0.8 3,-0.8 -4,-0.8 -1,-0.3 -0.932 48.7-146.3-157.6 141.1 -28.5 -29.6 -21.8 68 583 A D T 3 S+ 0 0 80 -2,-0.3 4,-0.1 1,-0.2 51,-0.1 0.339 96.8 77.2 -82.7 5.3 -28.2 -28.8 -18.0 69 584 A K T 3 S+ 0 0 23 77,-0.1 78,-2.8 2,-0.1 2,-0.4 0.223 80.9 81.9 -93.6 9.8 -27.6 -25.2 -19.1 70 585 A I B < S-f 147 0B 0 -3,-0.8 78,-0.2 76,-0.3 -3,-0.1 -0.955 97.1 -99.2-112.3 135.2 -31.4 -24.9 -19.7 71 586 A I - 0 0 6 76,-2.4 2,-0.4 -2,-0.4 -2,-0.1 -0.152 41.2-106.0 -54.5 145.3 -33.6 -24.3 -16.7 72 587 A R - 0 0 55 -4,-0.1 16,-1.9 74,-0.0 2,-0.6 -0.637 25.2-165.6 -80.6 124.2 -35.4 -27.3 -15.2 73 588 A L E +E 87 0A 4 -2,-0.4 14,-0.2 -13,-0.2 3,-0.1 -0.957 12.0 174.9-104.3 107.7 -39.1 -27.7 -15.8 74 589 A Y E - 0 0 115 12,-2.5 2,-0.3 -2,-0.6 13,-0.2 0.853 59.6 -28.6 -82.0 -40.2 -40.2 -30.3 -13.2 75 590 A D E -E 86 0A 55 11,-1.4 11,-2.7 2,-0.0 2,-0.3 -0.976 55.0-157.2-166.1 165.9 -43.9 -30.3 -13.8 76 591 A Y E -E 85 0A 71 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.992 10.0-152.1-155.3 157.6 -46.8 -28.2 -15.0 77 592 A E E -E 84 0A 42 7,-2.5 7,-2.9 -2,-0.3 2,-0.4 -0.993 20.1-177.0-126.6 133.7 -50.6 -27.8 -14.7 78 593 A I E +E 83 0A 73 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.983 10.1 156.2-140.7 122.7 -52.4 -26.1 -17.6 79 594 A T - 0 0 46 3,-2.8 -37,-0.0 -2,-0.4 -2,-0.0 -0.726 59.1 -88.4-127.6-178.0 -56.2 -25.3 -17.9 80 595 A D S S+ 0 0 135 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.707 127.1 40.5 -64.1 -21.4 -58.3 -22.8 -19.8 81 596 A Q S S+ 0 0 98 1,-0.2 -39,-2.4 -40,-0.1 -38,-0.5 0.686 121.7 0.4-102.5 -24.7 -57.9 -20.4 -16.9 82 597 A Y E -D 41 0A 65 -41,-0.3 -3,-2.8 -40,-0.2 2,-0.4 -0.990 46.6-137.4-159.4 162.7 -54.2 -20.7 -15.9 83 598 A I E -DE 40 78A 2 -43,-2.1 -43,-2.6 -2,-0.3 2,-0.4 -0.994 15.2-171.1-123.2 135.0 -50.8 -22.2 -16.2 84 599 A Y E -DE 39 77A 48 -7,-2.9 -7,-2.5 -2,-0.4 2,-0.5 -0.999 6.8-170.4-118.7 128.2 -48.6 -23.3 -13.2 85 600 A M E -DE 38 76A 11 -47,-2.8 -47,-2.7 -2,-0.4 2,-0.7 -0.980 12.8-151.4-120.6 124.7 -45.1 -24.3 -13.9 86 601 A V E +DE 37 75A 0 -11,-2.7 -12,-2.5 -2,-0.5 -11,-1.4 -0.856 35.1 162.6 -96.1 116.0 -42.9 -25.9 -11.3 87 602 A M E -DE 36 73A 16 -51,-3.2 -51,-2.9 -2,-0.7 -14,-0.2 -0.764 43.9 -73.8-131.8 168.3 -39.3 -25.0 -12.1 88 603 A E - 0 0 24 -16,-1.9 -53,-0.1 -2,-0.2 -1,-0.1 -0.416 36.2-154.3 -61.2 134.4 -35.8 -24.7 -10.8 89 604 A C + 0 0 16 -55,-0.3 -1,-0.1 -2,-0.1 -54,-0.1 0.911 23.4 179.4 -83.5 -49.1 -35.4 -21.8 -8.3 90 605 A G - 0 0 23 -56,-0.1 51,-0.3 1,-0.1 3,-0.1 -0.064 38.9 -86.4 67.2-173.0 -31.7 -21.0 -8.6 91 606 A N S S- 0 0 116 49,-3.0 2,-0.3 1,-0.4 50,-0.2 0.872 87.1 -25.9-103.6 -48.7 -29.8 -18.2 -6.7 92 607 A I E -G 140 0B 40 48,-1.2 48,-3.0 0, 0.0 -1,-0.4 -0.951 63.2-102.6-168.6 146.5 -30.1 -15.0 -8.7 93 608 A D E > -G 139 0B 46 -2,-0.3 4,-1.8 46,-0.3 46,-0.3 -0.516 36.3-114.1 -77.2 153.6 -30.6 -13.9 -12.3 94 609 A L H > S+ 0 0 0 44,-3.1 4,-2.8 41,-0.6 42,-0.2 0.830 111.9 54.2 -56.9 -39.7 -27.5 -12.7 -14.2 95 610 A N H > S+ 0 0 45 40,-0.4 4,-1.8 43,-0.4 -1,-0.2 0.912 109.2 46.1 -65.3 -44.9 -28.7 -9.1 -14.6 96 611 A S H > S+ 0 0 43 -3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.846 114.7 49.3 -65.0 -36.6 -29.3 -8.5 -10.9 97 612 A W H < S+ 0 0 32 -4,-1.8 3,-0.2 2,-0.2 -2,-0.2 0.928 110.6 48.9 -66.6 -48.7 -25.9 -10.1 -10.1 98 613 A L H >< S+ 0 0 13 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.812 108.0 56.5 -59.5 -33.4 -24.1 -7.9 -12.7 99 614 A K H 3< S+ 0 0 145 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.871 111.2 41.4 -68.5 -38.0 -25.8 -4.8 -11.2 100 615 A K T 3< S+ 0 0 141 -4,-1.3 2,-0.5 -3,-0.2 -1,-0.2 0.216 96.6 105.3 -91.2 13.5 -24.4 -5.5 -7.7 101 616 A K < - 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0 0 58 -3,-0.9 3,-1.6 -4,-0.8 25,-0.0 -0.693 53.2-162.4 -90.6 112.6 -24.0 2.5 -39.0 216 750 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.2 0, 0.0 24,-0.1 0.852 92.8 58.1 -58.8 -36.4 -20.7 1.0 -40.4 217 751 A N T 3 S+ 0 0 140 1,-0.1 2,-1.2 2,-0.1 -5,-0.1 0.655 86.2 87.2 -68.4 -17.7 -19.0 4.4 -39.8 218 752 A H S < S- 0 0 55 -3,-1.6 2,-0.4 -6,-0.2 -1,-0.1 -0.730 75.9-154.4 -83.7 98.0 -19.9 4.2 -36.1 219 753 A E - 0 0 166 -2,-1.2 2,-0.3 1,-0.0 -2,-0.1 -0.587 7.8-133.7 -81.8 127.3 -16.9 2.2 -34.8 220 754 A I - 0 0 21 -2,-0.4 2,-0.3 18,-0.1 -20,-0.1 -0.598 26.5-123.8 -74.1 137.9 -17.4 0.1 -31.7 221 755 A E - 0 0 132 -2,-0.3 -1,-0.1 -22,-0.3 0, 0.0 -0.677 25.3-175.6 -90.7 138.7 -14.5 0.6 -29.2 222 756 A F - 0 0 40 -2,-0.3 3,-0.1 3,-0.0 -1,-0.0 -0.712 17.0-154.8-131.4 77.7 -12.5 -2.3 -27.9 223 757 A P - 0 0 52 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.224 33.5 -93.9 -54.9 142.0 -10.0 -1.0 -25.3 224 758 A D + 0 0 131 2,-0.0 4,-0.1 7,-0.0 3,-0.0 -0.292 51.2 176.2 -62.1 139.6 -6.9 -3.2 -24.9 225 759 A I - 0 0 28 -3,-0.1 6,-0.1 1,-0.1 5,-0.0 -0.918 43.5-106.1-138.7 161.1 -7.1 -5.7 -22.1 226 760 A P S S+ 0 0 121 0, 0.0 2,-1.4 0, 0.0 3,-0.1 0.891 107.3 71.1 -55.8 -44.1 -4.8 -8.5 -20.9 227 761 A E > + 0 0 45 1,-0.2 4,-1.7 2,-0.1 5,-0.1 -0.622 59.1 174.5 -79.4 93.0 -7.0 -11.2 -22.3 228 762 A K H > S+ 0 0 117 -2,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.806 78.8 57.9 -67.3 -31.4 -6.4 -10.8 -26.0 229 763 A D H > S+ 0 0 65 2,-0.2 4,-1.8 1,-0.2 27,-0.3 0.886 105.7 50.1 -66.8 -38.7 -8.5 -13.9 -26.8 230 764 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.884 109.0 51.9 -62.4 -43.3 -11.5 -12.2 -25.0 231 765 A Q H X S+ 0 0 10 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.880 109.3 49.6 -62.0 -41.4 -11.0 -9.1 -27.0 232 766 A D H X S+ 0 0 74 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.854 106.4 55.4 -66.9 -38.2 -11.0 -11.1 -30.2 233 767 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.947 108.9 49.0 -57.5 -48.0 -14.3 -12.9 -29.3 234 768 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.874 110.7 48.9 -58.5 -42.8 -16.0 -9.5 -28.8 235 769 A K H < S+ 0 0 93 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.877 112.8 48.3 -69.3 -37.3 -14.8 -8.2 -32.1 236 770 A C H >< S+ 0 0 19 -4,-2.2 10,-1.6 1,-0.2 3,-0.7 0.853 113.7 46.0 -68.1 -37.6 -16.0 -11.4 -33.9 237 771 A C H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.807 110.0 55.0 -72.7 -33.5 -19.4 -11.3 -32.2 238 772 A L T 3< S+ 0 0 8 -4,-1.9 2,-0.5 -5,-0.2 -1,-0.2 0.013 71.1 128.9 -99.7 28.1 -20.0 -7.6 -32.9 239 773 A K < - 0 0 93 -3,-0.7 6,-0.2 1,-0.1 -55,-0.1 -0.732 55.3-143.1 -77.9 123.3 -19.5 -7.6 -36.6 240 774 A R S S+ 0 0 38 -2,-0.5 -71,-0.2 1,-0.1 -1,-0.1 0.803 84.4 75.9 -60.0 -32.6 -22.5 -5.8 -38.2 241 775 A D S >> S- 0 0 81 1,-0.2 4,-1.7 -73,-0.1 3,-1.5 -0.721 72.6-153.7 -83.6 104.7 -22.6 -8.2 -41.2 242 776 A P T 34 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.801 93.6 60.4 -49.0 -34.1 -24.1 -11.5 -40.0 243 777 A K T 34 S+ 0 0 178 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.872 111.3 38.1 -59.6 -40.8 -22.3 -13.4 -42.7 244 778 A Q T <4 S+ 0 0 124 -3,-1.5 -1,-0.2 2,-0.1 2,-0.1 0.642 96.8 103.9 -86.9 -16.1 -18.9 -12.2 -41.4 245 779 A R S < S- 0 0 2 -4,-1.7 -8,-0.2 -6,-0.2 -9,-0.1 -0.404 82.2-102.8 -64.8 141.1 -20.0 -12.6 -37.7 246 780 A I - 0 0 16 -10,-1.6 2,-0.2 -13,-0.2 -1,-0.1 -0.222 33.5-130.1 -64.7 151.9 -18.7 -15.6 -35.9 247 781 A S > - 0 0 28 1,-0.1 4,-2.2 -64,-0.1 5,-0.1 -0.518 21.7-109.1 -96.9 168.8 -21.0 -18.7 -35.3 248 782 A I H > S+ 0 0 6 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.898 119.4 52.1 -66.9 -44.3 -21.7 -20.6 -32.1 249 783 A P H > S+ 0 0 79 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.891 111.2 47.8 -56.5 -41.5 -19.7 -23.6 -33.3 250 784 A E H >4 S+ 0 0 110 1,-0.2 3,-0.6 2,-0.2 4,-0.2 0.891 110.3 52.9 -63.8 -41.9 -16.7 -21.4 -34.1 251 785 A L H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 6,-0.3 0.820 104.1 56.1 -60.9 -32.2 -17.1 -19.7 -30.7 252 786 A L H 3< S+ 0 0 52 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.724 110.5 44.1 -76.3 -22.1 -17.0 -23.2 -29.0 253 787 A A T << S+ 0 0 73 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.308 89.4 123.1 -94.5 3.2 -13.6 -23.9 -30.7 254 788 A H S X> S- 0 0 13 -3,-0.8 4,-1.8 -4,-0.2 3,-1.1 -0.408 71.3-125.7 -74.4 139.6 -12.3 -20.4 -29.8 255 789 A P H 3> S+ 0 0 45 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.816 108.1 68.3 -50.9 -34.1 -9.1 -20.2 -27.8 256 790 A Y H 34 S+ 0 0 2 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.909 113.4 28.1 -53.3 -43.5 -11.0 -18.0 -25.3 257 791 A V H <4 S+ 0 0 10 -3,-1.1 -1,-0.2 -6,-0.3 -5,-0.1 0.678 128.3 43.3 -91.7 -16.4 -13.1 -21.0 -24.3 258 792 A Q H < S+ 0 0 128 -4,-1.8 2,-0.2 -5,-0.0 -2,-0.2 0.843 92.4 84.0 -98.0 -36.9 -10.6 -23.7 -25.0 259 793 A I < 0 0 102 -4,-2.4 -5,-0.0 -5,-0.2 0, 0.0 -0.506 360.0 360.0 -93.3 138.2 -7.1 -22.7 -23.8 260 794 A Q 0 0 210 -2,-0.2 -1,-0.1 0, 0.0 -4,-0.0 -0.587 360.0 360.0 110.7 360.0 -5.2 -22.9 -20.5