==== 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-FEB-08 3CEK . 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 . 256 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12908.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 63.7 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 16.8 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 . 12 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 30.1 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 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 1 515 A F 0 0 140 0, 0.0 2,-0.3 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 7.4 13.2 18.6 59.5 2 516 A Q - 0 0 152 11,-0.2 11,-2.4 1,-0.0 2,-0.1 -0.807 360.0-113.8-139.8 164.4 15.1 21.1 57.3 3 517 A S E -A 12 0A 70 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.476 18.4-169.0 -93.9 161.7 15.2 24.5 55.5 4 518 A M E -A 11 0A 21 7,-1.2 7,-2.7 -2,-0.1 2,-0.5 -0.943 11.2-148.2-146.0 141.6 15.3 25.5 51.8 5 519 A S E +A 10 0A 57 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.927 15.3 178.9-110.3 125.7 16.0 28.9 50.3 6 520 A V E > S-A 9 0A 0 3,-2.9 3,-1.3 -2,-0.5 -2,-0.0 -0.937 77.0 -22.1-128.1 111.1 14.2 29.9 47.1 7 521 A K T 3 S- 0 0 123 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.910 128.6 -49.3 55.1 46.6 15.0 33.3 45.8 8 522 A G T 3 S+ 0 0 61 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.352 114.9 115.0 79.7 -3.2 16.2 34.5 49.2 9 523 A R E < -A 6 0A 96 -3,-1.3 -3,-2.9 21,-0.0 2,-0.4 -0.864 59.6-136.3-106.4 136.3 13.0 33.2 51.0 10 524 A I E -A 5 0A 90 -2,-0.4 21,-0.4 -5,-0.2 2,-0.4 -0.730 19.0-172.0-100.7 133.8 13.3 30.4 53.5 11 525 A Y E -A 4 0A 14 -7,-2.7 -7,-1.2 -2,-0.4 2,-0.4 -0.985 15.5-140.3-127.5 132.5 10.8 27.5 53.6 12 526 A S E -AB 3 29A 61 17,-3.0 17,-2.5 -2,-0.4 2,-0.6 -0.816 22.5-123.5 -94.5 138.0 10.6 24.8 56.3 13 527 A I E + B 0 28A 34 -11,-2.4 15,-0.3 -2,-0.4 -11,-0.2 -0.675 30.1 174.2 -82.0 117.3 9.8 21.3 55.1 14 528 A L E - 0 0 88 13,-2.8 2,-0.3 -2,-0.6 14,-0.2 0.921 66.5 -33.8 -81.0 -58.0 6.7 19.7 56.7 15 529 A K E - B 0 27A 94 12,-1.3 12,-3.4 -14,-0.0 2,-0.5 -0.975 58.0 -99.7-153.6 166.7 6.7 16.5 54.6 16 530 A Q E + B 0 26A 95 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.818 31.1 176.1 -86.5 129.3 7.5 15.0 51.3 17 531 A I E + 0 0 92 8,-2.5 2,-0.3 -2,-0.5 9,-0.2 0.752 59.9 38.2 -94.9 -37.4 4.5 14.6 49.1 18 532 A G E - B 0 25A 16 7,-1.8 7,-1.6 2,-0.0 2,-0.2 -0.891 47.7-169.1-133.7 146.5 6.1 13.3 45.9 19 533 A S + 0 0 88 -2,-0.3 2,-0.3 5,-0.2 5,-0.1 -0.616 32.8 126.4-111.7 179.8 8.8 11.1 44.3 20 534 A G - 0 0 54 -2,-0.2 2,-0.5 4,-0.0 -2,-0.0 -0.945 55.9 -30.8 153.7-176.3 9.8 11.2 40.7 21 535 A G S S- 0 0 59 1,-0.3 3,-0.0 -2,-0.3 -2,-0.0 -0.971 123.7 -27.5-121.5 120.5 12.7 11.5 38.2 22 536 A S S S+ 0 0 49 -2,-0.5 20,-2.1 24,-0.0 -1,-0.3 -0.492 123.9 99.3 -97.9 56.8 14.8 13.3 39.3 23 537 A S E - C 0 41A 18 18,-0.2 2,-0.4 16,-0.0 18,-0.2 -0.792 41.3-169.9-115.9 143.6 12.3 15.2 41.4 24 538 A K E - C 0 40A 73 16,-2.1 16,-3.4 -2,-0.3 2,-0.4 -0.960 15.1-150.2-116.3 141.0 11.0 15.4 45.0 25 539 A V E -BC 18 39A 34 -7,-1.6 -8,-2.5 -2,-0.4 -7,-1.8 -0.964 15.8-165.8-113.1 133.3 7.9 17.4 46.0 26 540 A F E -BC 16 38A 27 12,-2.8 12,-2.6 -2,-0.4 2,-0.5 -0.935 22.3-137.5-122.6 138.9 7.7 18.9 49.5 27 541 A Q E +BC 15 37A 42 -12,-3.4 -13,-2.8 -2,-0.4 -12,-1.3 -0.834 44.2 170.0 -85.7 126.6 5.0 20.4 51.5 28 542 A V E -BC 13 36A 0 8,-2.7 8,-2.3 -2,-0.5 2,-0.4 -0.904 31.1-134.7-140.2 163.6 6.6 23.4 53.1 29 543 A L E -BC 12 35A 37 -17,-2.5 -17,-3.0 -2,-0.3 6,-0.2 -0.977 16.4-140.9-121.0 139.5 5.8 26.5 55.2 30 544 A N > - 0 0 22 4,-2.2 3,-1.9 -2,-0.4 -19,-0.2 -0.180 45.0 -84.2 -82.0-176.8 7.2 30.0 54.6 31 545 A E T 3 S+ 0 0 169 -21,-0.4 -20,-0.1 1,-0.3 -1,-0.1 0.688 132.9 51.8 -64.4 -19.6 8.2 32.4 57.4 32 546 A K T 3 S- 0 0 107 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.232 120.2-110.4 -95.8 8.5 4.5 33.5 57.8 33 547 A K < + 0 0 116 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.666 66.7 150.9 60.6 27.8 3.4 29.8 58.1 34 548 A Q - 0 0 92 1,-0.0 -4,-2.2 0, 0.0 2,-0.3 -0.672 45.6-119.8 -80.7 136.8 1.7 29.8 54.7 35 549 A I E +C 29 0A 85 -2,-0.3 55,-0.4 -6,-0.2 2,-0.3 -0.630 39.9 160.5 -90.5 135.7 1.7 26.4 53.0 36 550 A Y E -C 28 0A 39 -8,-2.3 -8,-2.7 -2,-0.3 2,-0.4 -0.890 35.6-123.8-139.1 165.1 3.3 25.7 49.6 37 551 A A E -CD 27 88A 9 51,-2.4 51,-3.3 -2,-0.3 2,-0.5 -0.963 22.6-160.2-108.9 134.5 4.6 22.8 47.6 38 552 A I E -CD 26 87A 0 -12,-2.6 -12,-2.8 -2,-0.4 2,-0.6 -0.987 3.4-155.5-116.6 118.7 8.2 23.0 46.4 39 553 A K E -CD 25 86A 65 47,-2.0 47,-2.1 -2,-0.5 2,-0.5 -0.847 9.6-163.1 -87.6 121.4 9.2 20.8 43.6 40 554 A Y E -CD 24 85A 56 -16,-3.4 -16,-2.1 -2,-0.6 2,-0.5 -0.925 5.2-171.6-104.6 129.3 12.9 20.1 43.6 41 555 A V E -CD 23 84A 7 43,-2.4 43,-2.2 -2,-0.5 2,-0.5 -0.995 15.9-142.8-121.7 125.2 14.5 18.7 40.4 42 556 A N E - D 0 83A 62 -20,-2.1 41,-0.2 -2,-0.5 3,-0.2 -0.784 14.7-174.6 -81.4 127.6 18.1 17.5 40.3 43 557 A L + 0 0 10 39,-3.0 40,-0.2 -2,-0.5 -1,-0.1 0.270 54.4 103.0-106.3 9.0 19.8 18.4 37.0 44 558 A E S S+ 0 0 102 38,-0.5 -1,-0.1 1,-0.2 39,-0.1 0.819 93.9 30.0 -65.7 -30.2 23.1 16.6 37.4 45 559 A E S S+ 0 0 102 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.699 92.1 116.8 -97.7 -21.1 22.2 13.7 35.1 46 560 A A - 0 0 26 -4,-0.2 2,-0.1 4,-0.1 -3,-0.0 -0.206 54.3-145.3 -61.3 129.0 19.8 15.6 32.7 47 561 A D > - 0 0 88 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.303 32.7 -94.0 -84.1 174.2 20.9 15.9 29.1 48 562 A N H > S+ 0 0 130 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.792 123.4 52.0 -68.6 -32.6 20.2 18.9 26.9 49 563 A Q H > S+ 0 0 129 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.894 113.5 46.3 -67.1 -41.3 17.0 17.7 25.3 50 564 A T H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.931 110.5 52.7 -63.9 -50.1 15.6 17.0 28.8 51 565 A L H X S+ 0 0 27 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.883 109.6 49.8 -52.5 -44.7 16.8 20.3 30.1 52 566 A D H X S+ 0 0 92 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.818 107.8 52.1 -68.6 -32.5 15.0 22.0 27.3 53 567 A S H X S+ 0 0 15 -4,-1.4 4,-2.1 -3,-0.3 -1,-0.2 0.847 111.0 49.2 -72.4 -34.3 11.8 20.1 28.0 54 568 A Y H X S+ 0 0 40 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.913 113.4 45.3 -64.4 -47.8 12.0 21.2 31.6 55 569 A R H X S+ 0 0 110 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.871 111.8 53.6 -62.8 -38.5 12.5 24.8 30.7 56 570 A N H X S+ 0 0 65 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.937 110.7 44.8 -65.3 -45.6 9.8 24.6 28.1 57 571 A E H X S+ 0 0 15 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.887 111.8 52.2 -65.5 -43.0 7.2 23.4 30.6 58 572 A I H X S+ 0 0 12 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.896 109.1 51.7 -53.6 -44.8 8.2 25.9 33.3 59 573 A A H X S+ 0 0 53 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.885 112.0 44.5 -63.9 -41.0 7.8 28.7 30.7 60 574 A Y H X S+ 0 0 73 -4,-1.8 4,-3.8 2,-0.2 5,-0.2 0.905 113.7 50.9 -69.5 -43.6 4.2 27.6 29.7 61 575 A L H X S+ 0 0 7 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.950 111.5 47.9 -55.0 -52.5 3.2 27.1 33.4 62 576 A N H < S+ 0 0 62 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.903 118.1 41.2 -54.8 -45.7 4.5 30.5 34.2 63 577 A K H >< S+ 0 0 64 -4,-1.9 3,-0.9 1,-0.2 4,-0.3 0.905 110.4 54.2 -71.5 -45.9 2.6 32.0 31.2 64 578 A L H >X S+ 0 0 0 -4,-3.8 4,-1.2 1,-0.2 3,-1.1 0.656 88.2 86.5 -71.5 -11.8 -0.6 30.1 31.5 65 579 A Q G >< S+ 0 0 17 -4,-1.3 3,-0.6 1,-0.2 -1,-0.2 0.902 90.1 45.4 -37.3 -59.6 -0.9 31.3 35.1 66 580 A Q G <4 S+ 0 0 140 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.562 107.7 58.5 -75.7 -11.7 -2.6 34.5 34.1 67 581 A H G <4 S+ 0 0 105 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.2 0.714 115.4 9.9 -93.8 -23.5 -5.0 32.8 31.7 68 582 A S X< - 0 0 7 -4,-1.2 3,-0.6 -3,-0.6 -1,-0.3 -0.975 47.0-148.2-156.8 140.6 -6.8 30.4 34.0 69 583 A D T 3 S+ 0 0 71 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.347 95.2 78.1 -86.6 6.2 -7.1 29.6 37.7 70 584 A K T 3 S+ 0 0 24 77,-0.1 78,-3.1 2,-0.1 2,-0.5 0.212 80.2 81.2 -94.5 10.5 -7.6 25.9 36.8 71 585 A I B < S-f 148 0B 0 -3,-0.6 78,-0.2 76,-0.2 3,-0.1 -0.977 99.3-102.8-108.0 129.2 -3.8 25.7 36.2 72 586 A I - 0 0 7 76,-2.0 2,-0.3 -2,-0.5 -2,-0.1 -0.117 40.9-106.6 -44.1 138.3 -1.8 25.3 39.4 73 587 A R - 0 0 49 -4,-0.1 16,-2.0 17,-0.0 2,-0.5 -0.587 25.6-163.2 -77.0 136.5 -0.2 28.4 40.7 74 588 A L E +E 88 0A 9 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.988 10.6 178.8-112.3 114.2 3.6 28.7 40.3 75 589 A Y E - 0 0 119 12,-3.1 2,-0.3 -2,-0.5 13,-0.2 0.828 58.6 -26.3 -88.6 -38.9 4.6 31.5 42.6 76 590 A D E -E 87 0A 61 11,-1.5 11,-3.2 2,-0.0 -1,-0.3 -0.978 54.2-158.4-166.2 165.8 8.4 31.5 42.0 77 591 A Y E -E 86 0A 68 -2,-0.3 2,-0.4 9,-0.3 9,-0.2 -0.990 11.4-151.0-155.9 157.0 11.3 29.4 41.0 78 592 A E E -E 85 0A 37 7,-2.4 7,-2.7 -2,-0.3 2,-0.4 -0.999 20.0-174.9-128.0 120.5 15.1 29.2 41.2 79 593 A I E +E 84 0A 74 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.990 11.6 157.4-125.5 125.9 16.9 27.5 38.4 80 594 A T - 0 0 40 3,-2.6 -2,-0.0 -2,-0.4 0, 0.0 -0.673 58.7 -92.6-126.2-175.7 20.7 26.8 38.3 81 595 A D S S+ 0 0 138 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.670 125.6 43.8 -75.7 -14.8 22.8 24.3 36.4 82 596 A Q S S- 0 0 106 1,-0.2 -39,-3.0 -40,-0.1 -38,-0.5 0.771 121.7 -4.3 -97.9 -31.7 22.5 21.9 39.4 83 597 A Y E -D 42 0A 51 -41,-0.2 -3,-2.6 -40,-0.2 2,-0.4 -0.977 48.7-132.1-159.2 158.7 18.8 22.1 40.3 84 598 A I E -DE 41 79A 3 -43,-2.2 -43,-2.4 -2,-0.3 2,-0.4 -0.993 16.6-170.6-114.0 130.5 15.3 23.6 39.9 85 599 A Y E -DE 40 78A 43 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.5 -0.998 7.3-173.4-108.4 128.4 13.2 24.8 42.9 86 600 A M E -DE 39 77A 11 -47,-2.1 -47,-2.0 -2,-0.4 2,-0.6 -0.985 13.6-151.3-121.9 121.9 9.6 25.7 42.0 87 601 A V E +DE 38 76A 0 -11,-3.2 -12,-3.1 -2,-0.5 -11,-1.5 -0.852 33.9 163.8 -93.7 116.3 7.3 27.2 44.6 88 602 A M E -DE 37 74A 18 -51,-3.3 -51,-2.4 -2,-0.6 -14,-0.2 -0.787 43.0 -75.8-129.4 167.3 3.8 26.2 43.9 89 603 A E - 0 0 31 -16,-2.0 2,-0.4 -2,-0.3 -53,-0.2 -0.437 50.5-124.0 -56.7 135.6 0.2 26.0 45.2 90 604 A C - 0 0 16 -55,-0.4 2,-0.2 -2,-0.1 -1,-0.1 -0.755 23.7-141.3 -91.7 131.2 -0.2 23.1 47.6 91 605 A G - 0 0 17 -2,-0.4 51,-0.2 1,-0.1 3,-0.1 -0.609 12.7-144.9 -95.1 152.9 -2.9 20.5 46.8 92 606 A N S S- 0 0 119 49,-2.4 2,-0.3 1,-0.3 50,-0.1 0.949 80.1 -31.2 -70.5 -52.4 -5.3 18.7 49.1 93 607 A I E -G 141 0B 52 48,-1.0 48,-3.2 4,-0.0 -1,-0.3 -0.962 63.4-105.1-168.0 144.5 -5.2 15.5 47.0 94 608 A D E > -G 140 0B 40 -2,-0.3 4,-2.1 46,-0.3 3,-0.3 -0.468 35.0-114.6 -75.6 154.1 -4.9 14.4 43.4 95 609 A L H > S+ 0 0 0 44,-2.5 4,-2.3 41,-0.7 42,-0.2 0.851 112.9 56.2 -60.1 -39.9 -8.0 13.2 41.5 96 610 A N H > S+ 0 0 53 43,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.886 111.0 43.5 -60.8 -41.5 -6.8 9.6 41.1 97 611 A S H > S+ 0 0 46 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.893 114.0 51.8 -68.2 -40.5 -6.3 9.1 44.9 98 612 A W H X S+ 0 0 31 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.863 110.1 48.7 -61.8 -38.7 -9.7 10.9 45.5 99 613 A L H < S+ 0 0 14 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.866 109.2 51.4 -73.2 -38.6 -11.5 8.6 43.1 100 614 A K H < S+ 0 0 107 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.876 116.9 41.2 -62.6 -39.0 -10.0 5.4 44.6 101 615 A K H < S+ 0 0 121 -4,-1.9 2,-0.2 -5,-0.1 -2,-0.2 0.853 97.3 87.1 -77.4 -38.1 -11.1 6.6 48.1 102 616 A K < - 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0 0 39 -2,-0.4 3,-2.3 -44,-0.0 4,-0.5 -0.746 63.9 -77.3-134.6-179.8 -4.5 16.2 17.8 177 713 A P H >> S+ 0 0 66 0, 0.0 3,-1.0 0, 0.0 4,-0.9 0.817 126.5 67.5 -51.7 -31.3 -6.4 18.2 20.4 178 714 A K H 3> S+ 0 0 43 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.693 84.4 69.4 -62.2 -22.6 -9.1 15.6 20.0 179 715 A S H <> S+ 0 0 3 -3,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.886 98.6 51.1 -61.4 -35.1 -6.7 13.0 21.6 180 716 A D H X S+ 0 0 4 -4,-2.2 4,-3.6 1,-0.2 3,-0.6 0.931 108.4 48.6 -54.3 -47.2 -16.6 7.6 32.3 190 726 A Y H 3X S+ 0 0 38 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.856 109.9 50.2 -58.0 -43.5 -14.7 6.5 35.4 191 727 A M H 3< S+ 0 0 6 -4,-1.5 -86,-0.3 2,-0.2 -1,-0.2 0.650 120.5 37.8 -71.0 -17.5 -16.4 9.2 37.5 192 728 A T H << S+ 0 0 24 -4,-1.0 -2,-0.2 -3,-0.6 -3,-0.2 0.857 131.0 22.1 -98.2 -53.7 -19.8 8.1 36.2 193 729 A Y H < S- 0 0 41 -4,-3.6 -3,-0.2 2,-0.3 -2,-0.2 0.176 100.9-116.0-106.6 11.1 -19.5 4.3 35.9 194 730 A G S < S+ 0 0 56 -4,-1.2 2,-0.3 -5,-0.3 -4,-0.2 0.620 88.6 60.6 67.1 13.3 -16.7 3.7 38.5 195 731 A K S S- 0 0 80 -6,-0.4 -2,-0.3 -9,-0.1 -3,-0.2 -0.971 87.2-100.9-157.6 158.9 -14.3 2.3 35.9 196 732 A T > - 0 0 0 -2,-0.3 3,-1.6 -6,-0.1 4,-0.3 -0.480 48.7-101.7 -76.1 159.7 -12.5 3.3 32.7 197 733 A P T 3 S+ 0 0 4 0, 0.0 22,-0.3 0, 0.0 3,-0.2 0.752 118.3 29.0 -61.3 -27.9 -14.2 1.9 29.5 198 734 A F T > S+ 0 0 0 -37,-0.3 3,-1.5 1,-0.1 12,-0.1 0.121 79.4 117.3-118.1 17.7 -11.7 -0.9 28.9 199 735 A Q T < S+ 0 0 84 -3,-1.6 -1,-0.1 1,-0.3 8,-0.1 0.811 70.4 67.0 -52.8 -31.3 -10.6 -1.7 32.5 200 736 A Q T 3 S+ 0 0 93 -4,-0.3 2,-0.9 -3,-0.2 -1,-0.3 0.815 81.3 83.3 -58.7 -36.5 -12.2 -5.2 32.1 201 737 A I < + 0 0 34 -3,-1.5 6,-0.1 1,-0.2 -1,-0.1 -0.641 51.9 172.0 -84.9 105.5 -9.6 -6.3 29.5 202 738 A I + 0 0 145 -2,-0.9 2,-0.5 5,-0.1 -1,-0.2 0.876 56.7 82.3 -81.3 -46.0 -6.5 -7.4 31.5 203 739 A N S > S- 0 0 103 1,-0.2 4,-2.6 2,-0.1 3,-0.3 -0.579 74.9-149.2 -64.2 117.0 -4.4 -8.9 28.6 204 740 A Q H > S+ 0 0 92 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.821 94.4 54.2 -67.1 -39.8 -2.7 -5.6 27.3 205 741 A I H > S+ 0 0 64 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.884 114.0 46.0 -57.1 -36.0 -2.4 -6.7 23.7 206 742 A S H > S+ 0 0 64 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.961 109.5 51.4 -72.0 -52.5 -6.2 -7.4 24.0 207 743 A K H X S+ 0 0 13 -4,-2.6 4,-2.4 1,-0.2 3,-0.3 0.933 110.4 50.6 -47.0 -52.8 -7.1 -4.1 25.7 208 744 A L H X S+ 0 0 57 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.855 109.3 50.1 -57.6 -41.3 -5.2 -2.1 23.0 209 745 A H H X S+ 0 0 127 -4,-1.4 4,-1.0 -5,-0.2 -1,-0.2 0.854 109.1 52.9 -64.4 -39.2 -7.1 -4.0 20.2 210 746 A A H >< S+ 0 0 9 -4,-2.4 3,-0.9 -3,-0.3 6,-0.2 0.954 105.0 54.9 -57.5 -50.2 -10.4 -3.3 22.0 211 747 A I H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.849 117.3 35.6 -54.2 -39.4 -9.5 0.5 22.1 212 748 A I H 3< S+ 0 0 43 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.575 96.4 97.6 -92.7 -7.3 -9.0 0.5 18.3 213 749 A D X< - 0 0 60 -4,-1.0 3,-1.5 -3,-0.9 -1,-0.0 -0.726 51.6-167.3 -92.9 110.4 -11.7 -2.0 17.3 214 750 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.591 88.8 64.1 -73.8 -9.5 -15.0 -0.3 16.2 215 751 A N T 3 S+ 0 0 143 2,-0.1 2,-1.0 1,-0.1 -5,-0.1 0.599 85.1 84.2 -80.5 -17.5 -16.8 -3.7 16.4 216 752 A H S < S- 0 0 62 -3,-1.5 2,-0.4 -6,-0.2 -1,-0.1 -0.808 78.5-153.6 -84.0 102.5 -16.0 -3.5 20.1 217 753 A E - 0 0 108 -2,-1.0 2,-0.3 1,-0.0 -2,-0.1 -0.687 8.1-133.4 -82.3 128.3 -18.9 -1.4 21.4 218 754 A I - 0 0 20 -2,-0.4 2,-0.4 18,-0.1 -20,-0.1 -0.606 25.8-121.8 -73.3 140.5 -18.3 0.5 24.5 219 755 A E - 0 0 135 -2,-0.3 -1,-0.0 -22,-0.3 0, 0.0 -0.705 25.9-175.6 -89.8 138.7 -21.1 0.2 27.0 220 756 A F - 0 0 42 -2,-0.4 3,-0.1 13,-0.0 9,-0.0 -0.743 18.9-153.0-128.7 82.0 -23.1 3.2 28.3 221 757 A P - 0 0 52 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.222 33.5 -89.5 -60.7 147.8 -25.5 1.9 30.9 222 758 A D + 0 0 88 2,-0.0 4,-0.1 7,-0.0 0, 0.0 -0.352 53.6 177.9 -57.6 127.1 -28.6 4.0 31.3 223 759 A I - 0 0 24 2,-0.1 6,-0.2 -3,-0.1 5,-0.1 -0.950 42.5-109.0-135.4 151.8 -28.1 6.7 34.0 224 760 A P S S+ 0 0 124 0, 0.0 2,-1.0 0, 0.0 3,-0.1 0.731 106.0 72.1 -55.7 -24.9 -30.4 9.5 35.3 225 761 A E > + 0 0 40 1,-0.2 4,-1.6 2,-0.1 -2,-0.1 -0.812 56.5 175.3 -95.6 99.9 -28.3 12.1 33.6 226 762 A K H > S+ 0 0 134 -2,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.814 81.5 59.0 -69.4 -33.5 -29.0 11.8 29.8 227 763 A D H > S+ 0 0 65 2,-0.2 4,-1.8 1,-0.2 27,-0.3 0.887 105.7 49.8 -59.7 -41.2 -26.9 14.8 29.1 228 764 A L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.878 108.6 51.9 -67.7 -42.9 -23.9 13.0 30.8 229 765 A Q H X S+ 0 0 24 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.940 108.9 50.6 -55.0 -52.9 -24.5 9.9 28.7 230 766 A D H X S+ 0 0 78 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.878 108.4 52.6 -53.3 -45.8 -24.4 11.9 25.6 231 767 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.934 109.7 48.3 -56.2 -48.8 -21.1 13.6 26.6 232 768 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.935 112.3 49.1 -59.5 -47.5 -19.4 10.2 27.2 233 769 A K H < S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.835 111.8 48.3 -58.1 -41.4 -20.6 8.9 23.8 234 770 A C H >< S+ 0 0 28 -4,-2.1 10,-1.8 -5,-0.2 3,-0.5 0.794 115.1 45.0 -69.9 -33.3 -19.4 12.0 22.0 235 771 A C H 3< S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -50,-0.2 0.770 107.8 58.3 -78.2 -31.1 -16.0 11.9 23.7 236 772 A L T 3< S+ 0 0 9 -4,-1.9 2,-0.4 -5,-0.2 -1,-0.2 -0.055 71.1 130.1-100.9 35.6 -15.5 8.2 23.2 237 773 A K < - 0 0 75 -3,-0.5 6,-0.1 1,-0.1 -3,-0.0 -0.746 52.1-147.5 -85.6 127.7 -15.8 8.1 19.4 238 774 A R S S+ 0 0 32 -2,-0.4 -72,-0.2 -73,-0.1 -1,-0.1 0.876 84.1 71.7 -66.6 -39.3 -12.9 6.2 17.9 239 775 A D S >> S- 0 0 78 1,-0.2 3,-1.0 -74,-0.1 4,-0.8 -0.721 75.4-152.5 -78.9 115.4 -12.7 8.4 14.7 240 776 A P T 34 S+ 0 0 31 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.739 93.7 59.7 -63.3 -25.8 -11.3 11.7 15.9 241 777 A K T 34 S+ 0 0 133 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.794 109.9 43.3 -69.6 -29.5 -13.1 13.6 13.1 242 778 A Q T <4 S+ 0 0 136 -3,-1.0 -1,-0.2 2,-0.1 2,-0.2 0.551 97.9 99.7 -86.8 -13.9 -16.4 12.3 14.5 243 779 A R S < S- 0 0 4 -4,-0.8 -8,-0.2 -6,-0.1 -9,-0.1 -0.500 81.5-107.9 -76.9 143.8 -15.3 13.1 18.1 244 780 A I - 0 0 22 -10,-1.8 2,-0.2 -2,-0.2 -1,-0.1 -0.350 31.2-130.4 -68.8 149.1 -16.5 16.2 19.8 245 781 A S > - 0 0 29 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.554 21.8-107.7 -95.2 164.3 -14.1 19.1 20.5 246 782 A I H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.927 118.5 51.4 -58.6 -48.5 -13.4 21.1 23.7 247 783 A P H > S+ 0 0 79 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.881 112.7 47.3 -56.8 -39.8 -15.1 24.3 22.6 248 784 A E H 4 S+ 0 0 113 1,-0.2 3,-0.5 2,-0.2 4,-0.2 0.843 108.8 54.2 -65.0 -39.9 -18.2 22.1 21.6 249 785 A L H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 6,-0.3 0.785 103.3 57.6 -66.4 -26.2 -18.0 20.3 25.0 250 786 A L H 3< S+ 0 0 47 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.771 107.5 46.5 -76.0 -25.8 -18.1 23.8 26.8 251 787 A A T 3< S+ 0 0 78 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.310 88.6 119.8 -90.8 1.8 -21.4 24.6 25.1 252 788 A H S X> S- 0 0 18 -3,-0.6 4,-2.0 -4,-0.2 3,-0.8 -0.411 73.2-123.9 -71.3 141.9 -22.9 21.2 25.9 253 789 A P H 3> S+ 0 0 49 0, 0.0 4,-2.8 0, 0.0 -1,-0.1 0.822 107.1 68.8 -57.4 -30.7 -26.0 21.1 28.1 254 790 A Y H 34 S+ 0 0 1 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.930 114.2 26.7 -54.5 -46.0 -24.3 18.9 30.6 255 791 A V H <4 S+ 0 0 10 -3,-0.8 -1,-0.2 -6,-0.3 -5,-0.1 0.695 127.9 45.1 -89.5 -19.1 -22.0 21.7 31.6 256 792 A Q H < S+ 0 0 130 -4,-2.0 2,-0.4 1,-0.1 -2,-0.2 0.779 107.1 54.1 -95.2 -30.1 -24.3 24.6 30.8 257 793 A I < 0 0 106 -4,-2.8 -1,-0.1 -5,-0.2 -5,-0.0 -0.848 360.0 360.0-111.0 140.5 -27.6 23.5 32.3 258 794 A Q 0 0 129 -2,-0.4 -3,-0.0 -3,-0.0 -4,-0.0 -0.961 360.0 360.0-160.2 360.0 -28.8 22.4 35.8