==== 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 27-FEB-09 3GFW . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN KINASE TTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.FILIPPAKOPOULOS,M.SOUNDARARAJAN,H.CHOI,T.KEATES,J.M.ELKINS . 253 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12825.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 64.8 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 . 44 17.4 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 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 30.0 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 3 0 1 0 0 1 1 0 0 0 0 0 1 0 0 0 2 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 0 2 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 0 139 0, 0.0 2,-0.2 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 14.9 12.6 17.6 59.1 2 516 A Q - 0 0 157 11,-0.4 11,-2.3 9,-0.0 2,-0.2 -0.875 360.0-114.5-145.4 172.8 15.1 19.7 56.9 3 517 A S E -A 12 0A 59 -2,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.520 12.8-164.0-119.8 171.2 15.1 23.0 54.8 4 518 A M E -A 11 0A 22 7,-1.8 7,-3.0 -2,-0.2 2,-0.4 -0.987 12.8-144.1-148.4 152.2 15.3 24.6 51.4 5 519 A S E -A 10 0A 53 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.968 13.9-177.6-121.0 133.3 16.0 28.1 50.1 6 520 A V E > S-A 9 0A 0 3,-2.9 3,-1.3 -2,-0.4 -2,-0.0 -0.959 75.1 -20.7-133.5 114.8 14.3 29.4 47.0 7 521 A K T 3 S- 0 0 120 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.939 131.2 -44.5 49.5 54.7 15.2 32.9 45.8 8 522 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.357 117.7 112.6 81.2 -5.7 16.5 33.9 49.2 9 523 A R E < -A 6 0A 99 -3,-1.3 -3,-2.9 21,-0.0 2,-0.3 -0.853 59.4-135.3-112.2 136.9 13.6 32.4 51.1 10 524 A I E -A 5 0A 103 -2,-0.4 21,-0.4 -5,-0.2 2,-0.4 -0.640 17.3-170.5 -91.8 140.4 13.6 29.4 53.4 11 525 A Y E -A 4 0A 14 -7,-3.0 -7,-1.8 -2,-0.3 2,-0.4 -0.987 17.5-136.4-128.2 136.4 11.0 26.6 53.3 12 526 A S E -AB 3 29A 63 17,-3.0 17,-2.3 -2,-0.4 2,-0.8 -0.805 22.3-129.6 -90.2 135.2 10.5 23.8 55.8 13 527 A I E + B 0 28A 34 -11,-2.3 -11,-0.4 -2,-0.4 15,-0.2 -0.750 27.5 176.1 -88.7 107.0 9.9 20.4 54.3 14 528 A L E - 0 0 91 13,-2.0 2,-0.3 -2,-0.8 -1,-0.2 0.980 64.9 -39.2 -68.7 -56.6 6.9 18.7 55.8 15 529 A K E - B 0 27A 97 12,-1.3 12,-3.5 -14,-0.0 2,-0.5 -0.982 54.1-100.1-161.5 166.4 7.1 15.6 53.5 16 530 A Q E - B 0 26A 91 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.882 25.9-176.4 -95.9 123.8 7.7 14.4 50.0 17 531 A I E + 0 0 95 8,-2.2 2,-0.3 -2,-0.5 9,-0.2 0.845 68.1 10.9 -84.3 -41.0 4.6 13.7 47.9 18 532 A G E - B 0 25A 30 7,-1.4 7,-2.8 2,-0.0 -1,-0.3 -1.000 57.4-163.8-150.7 145.5 6.3 12.3 44.8 19 533 A S + 0 0 79 -2,-0.3 2,-0.3 5,-0.2 5,-0.1 -0.460 23.9 130.5-113.5-177.9 9.7 11.0 43.5 20 534 A G - 0 0 54 -2,-0.2 2,-0.4 4,-0.0 -2,-0.0 -0.979 53.0 -22.7 164.2-176.1 11.1 10.4 40.0 21 535 A G S S- 0 0 81 1,-0.3 -2,-0.0 -2,-0.3 20,-0.0 -0.906 124.4 -28.1 -97.3 132.1 13.9 10.8 37.5 22 536 A S S S+ 0 0 42 -2,-0.4 20,-3.9 20,-0.1 2,-0.3 -0.131 124.4 76.7-104.8 75.1 15.3 13.2 38.3 23 537 A S E - C 0 41A 28 18,-0.3 2,-0.3 20,-0.0 18,-0.2 -0.985 42.6-173.5-149.1 155.6 12.6 15.2 40.1 24 538 A K E - C 0 40A 23 16,-2.4 16,-2.7 -2,-0.3 2,-0.5 -0.989 15.6-142.5-148.8 149.0 10.7 15.4 43.4 25 539 A V E -BC 18 39A 39 -7,-2.8 -8,-2.2 -2,-0.3 -7,-1.4 -0.981 18.4-172.5-119.6 125.8 7.8 17.3 45.0 26 540 A F E -BC 16 38A 34 12,-2.6 12,-2.4 -2,-0.5 2,-0.5 -0.901 23.9-130.6-108.9 145.8 7.8 18.2 48.6 27 541 A Q E +BC 15 37A 49 -12,-3.5 -13,-2.0 -2,-0.4 -12,-1.3 -0.824 43.8 178.7 -89.9 128.3 5.0 19.7 50.6 28 542 A V E -BC 13 36A 0 8,-2.8 8,-2.7 -2,-0.5 2,-0.4 -0.909 29.9-138.0-139.6 159.5 6.5 22.7 52.4 29 543 A L E -BC 12 35A 39 -17,-2.3 -17,-3.0 -2,-0.3 6,-0.2 -0.970 16.8-148.3-117.9 134.7 5.9 25.6 54.7 30 544 A N > - 0 0 26 4,-2.2 3,-2.0 -2,-0.4 -19,-0.1 -0.203 42.7 -85.9 -86.1-175.7 7.2 29.2 54.3 31 545 A E T 3 S+ 0 0 180 -21,-0.4 -20,-0.1 1,-0.3 -1,-0.0 0.834 132.1 54.7 -65.3 -32.5 8.0 31.6 57.2 32 546 A K T 3 S- 0 0 107 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.361 120.7-114.8 -76.6 4.5 4.4 32.8 57.4 33 547 A K < + 0 0 90 -3,-2.0 2,-0.2 1,-0.2 -2,-0.2 0.792 65.5 152.8 65.0 29.0 3.7 29.0 57.8 34 548 A Q - 0 0 89 1,-0.0 -4,-2.2 0, 0.0 2,-0.4 -0.643 43.4-115.9 -86.0 151.0 1.8 29.1 54.4 35 549 A I E +C 29 0A 89 -2,-0.2 55,-0.5 -6,-0.2 2,-0.3 -0.724 39.6 160.2-102.0 137.4 1.7 25.8 52.5 36 550 A Y E -CD 28 89A 31 -8,-2.7 -8,-2.8 -2,-0.4 2,-0.5 -0.919 36.8-125.0-141.9 161.0 3.2 25.1 49.1 37 551 A A E -CD 27 88A 10 51,-2.2 51,-2.6 -2,-0.3 2,-0.5 -0.947 26.3-163.8-103.5 137.6 4.4 22.3 46.8 38 552 A I E -CD 26 87A 0 -12,-2.4 -12,-2.6 -2,-0.5 2,-0.4 -0.996 1.8-159.5-120.2 120.2 8.0 22.7 45.7 39 553 A K E -CD 25 86A 75 47,-1.6 47,-3.0 -2,-0.5 2,-0.4 -0.821 7.2-165.6 -94.4 139.0 9.1 20.6 42.7 40 554 A Y E -CD 24 85A 65 -16,-2.7 -16,-2.4 -2,-0.4 2,-0.4 -0.997 3.2-167.1-127.5 131.7 12.8 20.1 42.3 41 555 A V E -CD 23 84A 8 43,-1.7 43,-2.3 -2,-0.4 2,-0.5 -0.978 13.3-144.4-121.0 128.4 14.4 18.9 39.1 42 556 A N E - D 0 83A 55 -20,-3.9 41,-0.2 -2,-0.4 3,-0.2 -0.840 11.4-171.7 -91.7 126.1 18.0 17.7 39.1 43 557 A L > + 0 0 8 39,-3.1 3,-2.5 -2,-0.5 40,-0.2 0.329 48.6 117.2-100.4 7.5 19.6 18.6 35.8 44 558 A E T 3 S+ 0 0 85 38,-0.5 -1,-0.2 1,-0.3 39,-0.1 0.824 92.2 22.4 -45.7 -47.6 22.9 16.6 36.3 45 559 A E T 3 S+ 0 0 107 -3,-0.2 2,-0.5 2,-0.1 -1,-0.3 -0.103 95.8 128.0-113.1 33.5 22.3 14.3 33.3 46 560 A A < - 0 0 29 -3,-2.5 2,-0.1 4,-0.0 -3,-0.1 -0.833 48.4-143.2 -96.8 123.7 19.9 16.6 31.4 47 561 A D > - 0 0 88 -2,-0.5 4,-2.8 1,-0.1 3,-0.3 -0.453 27.4-101.8 -87.2 155.8 20.7 17.4 27.7 48 562 A N H > S+ 0 0 127 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.772 122.4 50.6 -49.2 -37.9 20.2 20.7 25.8 49 563 A Q H > S+ 0 0 131 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.968 113.7 45.1 -65.3 -53.3 17.0 19.6 24.1 50 564 A T H > S+ 0 0 27 -3,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.944 113.1 51.6 -49.9 -52.3 15.6 18.4 27.5 51 565 A L H X S+ 0 0 26 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.896 110.3 47.3 -58.7 -42.6 16.7 21.7 29.1 52 566 A D H X S+ 0 0 91 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.920 108.5 54.9 -67.4 -39.9 15.1 23.8 26.5 53 567 A S H X S+ 0 0 19 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.919 111.7 45.8 -55.2 -45.5 11.9 21.8 26.7 54 568 A Y H X S+ 0 0 68 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.891 110.3 51.8 -65.5 -42.3 11.9 22.5 30.5 55 569 A R H X S+ 0 0 106 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.876 110.6 51.6 -62.9 -33.2 12.6 26.2 30.0 56 570 A N H X S+ 0 0 65 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.961 109.3 45.9 -70.0 -53.6 9.7 26.3 27.6 57 571 A E H X S+ 0 0 21 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.923 113.2 51.7 -54.2 -45.4 7.1 24.7 29.8 58 572 A I H X S+ 0 0 16 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.904 107.6 53.6 -57.5 -37.5 8.3 27.0 32.7 59 573 A A H X S+ 0 0 53 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.945 112.2 43.1 -63.5 -44.9 7.9 30.0 30.5 60 574 A Y H X S+ 0 0 74 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.879 110.2 54.0 -74.2 -42.5 4.3 29.2 29.6 61 575 A L H X S+ 0 0 7 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.876 111.1 49.2 -53.0 -40.1 3.2 28.2 33.1 62 576 A N H < S+ 0 0 76 -4,-1.7 4,-0.5 -5,-0.3 3,-0.3 0.932 114.1 43.4 -68.8 -43.3 4.5 31.6 34.1 63 577 A K H >X S+ 0 0 80 -4,-2.0 3,-1.1 1,-0.2 4,-0.5 0.965 109.5 54.3 -66.3 -52.2 2.7 33.5 31.4 64 578 A L H 3X S+ 0 0 0 -4,-3.0 4,-0.9 1,-0.3 3,-0.3 0.651 86.5 86.8 -67.1 -13.8 -0.6 31.7 31.6 65 579 A Q H >< S+ 0 0 27 -4,-0.9 3,-1.2 -3,-0.3 -1,-0.3 0.950 90.6 46.2 -32.8 -69.0 -0.7 32.6 35.4 66 580 A Q H <4 S+ 0 0 91 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.821 109.1 57.7 -47.8 -39.3 -2.3 35.9 34.6 67 581 A H H 3< S+ 0 0 111 -4,-0.5 -1,-0.2 -3,-0.3 2,-0.2 0.518 113.7 4.1 -85.9 -12.9 -4.9 34.4 32.2 68 582 A S X< - 0 0 10 -3,-1.2 3,-1.4 -4,-0.9 -1,-0.2 -0.775 43.4-146.4-172.8 128.8 -6.8 31.8 34.3 69 583 A D T 3 S+ 0 0 72 1,-0.3 4,-0.1 -2,-0.2 51,-0.1 0.494 94.7 80.3 -75.9 1.0 -7.0 30.5 37.8 70 584 A K T 3 S+ 0 0 24 77,-0.1 78,-2.5 49,-0.1 2,-0.4 0.359 80.9 78.9 -85.7 7.2 -7.8 27.1 36.3 71 585 A I B < S-f 148 0B 0 -3,-1.4 78,-0.2 76,-0.2 -3,-0.1 -0.936 100.3 -97.9-105.7 139.2 -4.0 26.7 35.7 72 586 A I - 0 0 2 76,-2.8 2,-0.3 -2,-0.4 -2,-0.1 -0.124 44.7-105.5 -52.6 144.9 -1.9 25.7 38.8 73 587 A R - 0 0 49 -4,-0.1 16,-2.2 -3,-0.0 2,-0.5 -0.620 27.2-166.7 -84.0 134.6 -0.2 28.7 40.5 74 588 A L E +E 88 0A 6 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.981 12.7 171.0-113.6 111.9 3.5 29.3 40.1 75 589 A Y E - 0 0 119 12,-2.7 2,-0.3 -2,-0.5 13,-0.2 0.745 62.4 -20.6 -92.3 -30.4 4.6 31.8 42.7 76 590 A D E -E 87 0A 53 11,-1.6 11,-3.8 2,-0.0 -1,-0.3 -0.989 51.5-164.4-169.1 167.6 8.3 31.5 42.2 77 591 A Y E -E 86 0A 75 -2,-0.3 2,-0.4 9,-0.3 9,-0.2 -0.972 10.4-153.2-160.7 152.3 11.3 29.5 40.9 78 592 A E E -E 85 0A 38 7,-2.3 7,-1.8 -2,-0.3 2,-0.5 -0.995 20.1-175.0-128.9 125.7 15.0 29.3 41.1 79 593 A I E +E 84 0A 72 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.978 11.6 156.1-129.9 124.6 16.9 27.8 38.2 80 594 A T - 0 0 42 3,-2.9 -2,-0.0 -2,-0.5 -37,-0.0 -0.651 58.7 -88.8-126.4-171.5 20.6 27.1 37.8 81 595 A D S S+ 0 0 142 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.735 126.0 43.3 -73.9 -20.8 22.7 24.7 35.7 82 596 A Q S S- 0 0 117 1,-0.2 -39,-3.1 -40,-0.1 -38,-0.5 0.792 122.4 -3.7 -93.8 -30.3 22.3 21.9 38.4 83 597 A Y E -D 42 0A 51 -41,-0.2 -3,-2.9 -40,-0.2 2,-0.4 -0.987 48.5-133.2-156.6 161.7 18.7 22.2 39.4 84 598 A I E -DE 41 79A 2 -43,-2.3 -43,-1.7 -2,-0.3 2,-0.4 -0.920 15.2-168.6-112.7 147.4 15.2 23.8 39.2 85 599 A Y E -DE 40 78A 43 -7,-1.8 -7,-2.3 -2,-0.4 2,-0.5 -0.976 6.9-169.9-128.1 125.1 13.1 24.7 42.2 86 600 A M E -DE 39 77A 11 -47,-3.0 -47,-1.6 -2,-0.4 2,-0.8 -0.957 11.7-153.1-118.3 128.9 9.5 25.6 41.5 87 601 A V E +DE 38 76A 1 -11,-3.8 -12,-2.7 -2,-0.5 -11,-1.6 -0.891 33.8 162.5-104.7 105.5 7.4 27.1 44.2 88 602 A M E -DE 37 74A 23 -51,-2.6 -51,-2.2 -2,-0.8 -14,-0.2 -0.661 44.7 -79.0-120.2 165.5 3.8 26.2 43.3 89 603 A E E -D 36 0A 28 -16,-2.2 2,-0.5 -2,-0.2 -53,-0.2 -0.453 49.9-122.6 -59.4 133.3 0.3 26.0 44.8 90 604 A C - 0 0 18 -55,-0.5 2,-0.1 -2,-0.1 -1,-0.1 -0.750 23.6-142.2 -87.1 124.9 -0.1 22.8 46.8 91 605 A G - 0 0 21 -2,-0.5 51,-0.2 1,-0.1 3,-0.1 -0.362 11.6-140.6 -78.4 161.5 -2.9 20.5 45.8 92 606 A N S S- 0 0 117 49,-2.5 2,-0.3 1,-0.4 50,-0.1 0.816 81.6 -30.6 -82.8 -37.3 -5.2 18.5 48.0 93 607 A I E -G 141 0B 62 48,-0.8 48,-2.9 -3,-0.0 -1,-0.4 -0.944 66.3-102.3-175.7 153.6 -5.2 15.5 45.7 94 608 A D E > -G 140 0B 44 -2,-0.3 4,-2.6 46,-0.2 46,-0.3 -0.651 36.1-113.3 -90.0 156.0 -4.8 14.7 42.0 95 609 A L H > S+ 0 0 0 44,-2.3 4,-2.8 41,-0.6 5,-0.2 0.841 112.7 54.1 -57.3 -38.2 -7.9 13.9 40.0 96 610 A N H > S+ 0 0 47 40,-0.4 4,-3.1 43,-0.3 -1,-0.2 0.911 110.0 44.3 -70.2 -44.5 -6.8 10.4 39.3 97 611 A S H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.947 114.4 54.1 -55.5 -46.8 -6.3 9.4 42.9 98 612 A W H < S+ 0 0 38 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.894 113.6 38.8 -60.7 -42.6 -9.5 11.2 43.6 99 613 A L H >< S+ 0 0 14 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.891 112.0 56.9 -73.3 -43.3 -11.5 9.1 41.0 100 614 A K H 3< S+ 0 0 112 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.853 114.2 41.0 -48.9 -40.2 -9.6 5.9 41.9 101 615 A K T 3< S+ 0 0 88 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.2 0.245 99.2 90.4 -99.7 11.7 -10.8 6.3 45.5 102 616 A K < - 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0 0 39 -2,-0.5 3,-2.2 1,-0.0 4,-0.5 -0.769 57.3 -93.8-131.7 166.1 -5.0 19.7 16.4 174 713 A P T >> S+ 0 0 66 0, 0.0 4,-1.1 0, 0.0 3,-1.1 0.805 118.6 72.7 -56.8 -27.4 -6.8 21.2 19.4 175 714 A K H 3> S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.765 83.5 66.1 -54.8 -27.7 -9.5 18.6 18.7 176 715 A S H <> S+ 0 0 1 -3,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.860 98.7 52.7 -67.2 -31.3 -7.2 15.9 20.0 177 716 A D H <> S+ 0 0 0 -3,-1.1 4,-2.7 -4,-0.5 5,-0.2 0.887 104.1 56.5 -68.4 -41.1 -7.4 17.4 23.4 178 717 A V H X S+ 0 0 1 -4,-1.1 4,-2.6 1,-0.2 -2,-0.2 0.889 104.1 53.0 -59.5 -40.2 -11.2 17.3 23.2 179 718 A W H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.940 110.7 47.3 -57.4 -45.9 -11.1 13.6 22.5 180 719 A S H X S+ 0 0 2 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.903 111.0 48.9 -68.7 -43.8 -9.0 13.1 25.7 181 720 A L H >X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 3,-0.6 0.929 106.5 60.0 -52.7 -47.9 -11.3 15.3 27.8 182 721 A G H 3X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.908 102.3 51.8 -43.8 -46.6 -14.1 13.2 26.4 183 722 A C H 3X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.849 108.5 51.0 -65.2 -33.4 -12.4 10.2 27.9 184 723 A I H X S+ 0 0 6 -4,-2.4 4,-3.7 -5,-0.3 3,-0.9 0.940 108.1 47.4 -52.3 -49.2 -16.8 9.3 30.3 187 726 A Y H 3X S+ 0 0 42 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.959 112.9 49.7 -53.1 -49.8 -14.8 7.9 33.2 188 727 A M H 3< S+ 0 0 10 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.613 118.9 39.0 -68.9 -13.1 -16.6 10.4 35.5 189 728 A T H << S+ 0 0 25 -4,-1.6 -2,-0.2 -3,-0.9 -1,-0.2 0.824 131.5 22.0-100.4 -43.9 -20.0 9.4 34.0 190 729 A Y H < S- 0 0 45 -4,-3.7 -3,-0.2 2,-0.3 -2,-0.2 0.359 100.5-115.1-108.7 2.7 -19.6 5.6 33.6 191 730 A G S < S+ 0 0 53 -4,-2.4 2,-0.3 -5,-0.4 -4,-0.2 0.733 90.6 57.8 66.2 23.1 -16.8 4.8 36.1 192 731 A K S S- 0 0 67 -6,-0.5 -2,-0.3 -5,-0.2 -3,-0.2 -0.939 86.3-100.4-169.2 156.7 -14.5 3.7 33.2 193 732 A T > - 0 0 1 -2,-0.3 3,-1.4 1,-0.1 4,-0.3 -0.393 48.6 -99.3 -76.4 162.5 -12.8 5.0 30.0 194 733 A P T 3 S+ 0 0 5 0, 0.0 22,-0.2 0, 0.0 3,-0.1 0.637 118.0 31.4 -60.2 -21.5 -14.4 3.9 26.7 195 734 A F T > S+ 0 0 0 -36,-0.2 3,-0.9 1,-0.1 12,-0.1 0.122 80.3 112.7-124.9 22.8 -12.0 1.0 25.9 196 735 A Q T < S+ 0 0 91 -3,-1.4 -1,-0.1 1,-0.3 8,-0.0 0.760 72.1 63.5 -69.6 -26.4 -11.1 -0.1 29.4 197 736 A Q T 3 S+ 0 0 89 -4,-0.3 2,-1.7 1,-0.1 -1,-0.3 0.835 78.8 95.2 -61.3 -36.5 -12.9 -3.5 28.7 198 737 A I < - 0 0 29 -3,-0.9 6,-0.2 1,-0.2 -1,-0.1 -0.422 59.6-169.0 -70.8 86.8 -10.4 -4.3 26.0 199 738 A I + 0 0 172 -2,-1.7 2,-0.2 4,-0.1 -1,-0.2 0.875 66.0 68.5 -27.8 -65.5 -7.9 -6.4 27.9 200 739 A N S > S- 0 0 81 1,-0.1 4,-2.2 -3,-0.1 5,-0.1 -0.459 73.1-145.1 -81.7 133.7 -5.3 -6.4 25.1 201 740 A Q H > S+ 0 0 60 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.682 99.6 45.4 -79.0 -19.4 -3.4 -3.2 24.2 202 741 A I H > S+ 0 0 115 2,-0.2 4,-2.2 3,-0.1 5,-0.2 0.873 111.8 51.6 -80.5 -45.4 -3.1 -3.8 20.5 203 742 A S H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.874 109.9 53.3 -55.2 -39.4 -6.8 -4.9 20.2 204 743 A K H X S+ 0 0 25 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.937 105.3 52.2 -53.8 -54.4 -7.5 -1.6 22.0 205 744 A L H X S+ 0 0 49 -4,-1.1 4,-1.2 1,-0.2 -2,-0.2 0.872 111.4 45.7 -60.1 -37.8 -5.5 0.4 19.5 206 745 A H H X S+ 0 0 123 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.895 112.1 53.2 -67.8 -40.5 -7.5 -1.2 16.6 207 746 A A H < S+ 0 0 9 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.881 105.7 53.7 -56.2 -42.2 -10.7 -0.6 18.6 208 747 A I H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.839 118.8 33.1 -67.3 -31.9 -9.8 3.1 19.1 209 748 A I H < S+ 0 0 66 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.567 96.8 95.3-102.2 -9.3 -9.4 3.8 15.3 210 749 A D >< - 0 0 65 -4,-1.5 3,-1.3 -3,-0.1 25,-0.0 -0.754 53.6-161.7 -95.3 118.6 -12.0 1.3 13.8 211 750 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.766 87.0 72.1 -72.9 -26.1 -15.4 2.8 12.9 212 751 A N T 3 S+ 0 0 153 1,-0.1 2,-0.7 2,-0.1 -5,-0.0 0.384 83.3 86.8 -63.3 4.4 -17.1 -0.6 12.8 213 752 A H S < S- 0 0 59 -3,-1.3 -1,-0.1 -6,-0.1 2,-0.1 -0.821 74.1-153.9-108.8 90.7 -16.7 -0.5 16.6 214 753 A E - 0 0 114 -2,-0.7 2,-0.4 1,-0.1 -2,-0.1 -0.423 13.3-134.7 -58.5 129.1 -19.7 1.4 18.1 215 754 A I - 0 0 25 -2,-0.1 2,-0.3 18,-0.1 -20,-0.1 -0.754 24.5-122.6 -80.5 139.0 -18.8 3.0 21.4 216 755 A E - 0 0 150 -2,-0.4 -1,-0.0 -22,-0.2 0, 0.0 -0.658 28.6-179.6 -87.1 138.1 -21.5 2.3 24.0 217 756 A F - 0 0 60 -2,-0.3 3,-0.1 13,-0.0 13,-0.0 -0.668 21.1-149.0-134.7 80.8 -23.3 5.2 25.8 218 757 A P - 0 0 64 0, 0.0 8,-0.0 0, 0.0 -2,-0.0 -0.116 31.9 -90.8 -50.6 140.6 -25.8 3.7 28.3 219 758 A D + 0 0 83 2,-0.0 4,-0.1 7,-0.0 3,-0.0 -0.290 54.7 172.9 -53.9 129.5 -29.1 5.7 29.0 220 759 A I - 0 0 27 -3,-0.1 6,-0.1 2,-0.1 5,-0.0 -0.965 45.6-104.9-139.1 157.1 -28.6 8.0 32.0 221 760 A P S S+ 0 0 130 0, 0.0 2,-1.1 0, 0.0 3,-0.1 0.747 106.9 69.7 -51.3 -33.7 -30.8 10.7 33.5 222 761 A E > + 0 0 47 1,-0.2 4,-1.6 2,-0.1 3,-0.1 -0.757 57.7 178.5 -94.7 93.3 -28.7 13.5 32.0 223 762 A K H > S+ 0 0 122 -2,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.789 81.1 60.4 -62.5 -28.5 -29.3 13.4 28.3 224 763 A D H > S+ 0 0 63 2,-0.2 4,-3.1 1,-0.2 3,-0.4 0.941 101.5 50.9 -60.9 -52.8 -27.0 16.5 27.9 225 764 A L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.910 108.8 53.5 -50.2 -47.8 -24.0 14.6 29.4 226 765 A Q H X S+ 0 0 45 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.814 110.5 46.4 -54.3 -40.2 -24.8 11.8 26.9 227 766 A D H X S+ 0 0 80 -4,-1.4 4,-2.1 -3,-0.4 -2,-0.2 0.934 110.0 52.3 -71.2 -48.3 -24.7 14.3 24.0 228 767 A V H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 3,-0.5 0.952 113.7 44.4 -54.1 -51.3 -21.5 15.9 25.2 229 768 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.927 110.1 53.9 -58.8 -47.4 -19.8 12.5 25.3 230 769 A K H < S+ 0 0 39 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.840 112.9 47.1 -54.9 -31.7 -21.2 11.4 22.0 231 770 A C H >< S+ 0 0 30 -4,-2.1 10,-1.3 -3,-0.5 3,-0.6 0.811 111.1 46.0 -83.2 -40.1 -19.7 14.6 20.5 232 771 A C H 3< S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.804 108.9 57.4 -70.9 -33.8 -16.2 14.5 22.0 233 772 A L T 3< + 0 0 6 -4,-2.1 2,-0.4 -5,-0.2 -1,-0.2 0.184 69.4 128.4 -92.9 21.2 -15.7 10.9 21.1 234 773 A K < - 0 0 91 -3,-0.6 6,-0.2 1,-0.1 -3,-0.0 -0.633 57.8-139.9 -72.6 125.9 -16.3 11.2 17.3 235 774 A R S S+ 0 0 47 -2,-0.4 -1,-0.1 4,-0.1 -71,-0.1 0.750 85.2 72.7 -64.3 -28.9 -13.3 9.5 15.7 236 775 A D S >> S- 0 0 73 1,-0.2 4,-1.8 -73,-0.1 3,-1.3 -0.816 73.6-151.1 -88.7 112.5 -12.9 12.0 12.9 237 776 A P T 34 S+ 0 0 30 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.844 97.7 58.0 -50.6 -38.8 -11.5 15.3 14.4 238 777 A K T 34 S+ 0 0 128 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.860 111.8 41.3 -59.0 -36.4 -13.3 17.3 11.7 239 778 A Q T <4 S+ 0 0 137 -3,-1.3 -1,-0.2 2,-0.1 -4,-0.1 0.701 100.5 96.6 -80.6 -24.6 -16.6 15.7 12.9 240 779 A R S < S- 0 0 4 -4,-1.8 -8,-0.2 -6,-0.2 2,-0.1 -0.271 82.0-103.3 -68.3 154.9 -15.6 16.1 16.6 241 780 A I - 0 0 25 -10,-1.3 2,-0.2 -13,-0.2 -1,-0.1 -0.367 31.5-123.2 -81.8 155.9 -16.7 19.1 18.7 242 781 A S > - 0 0 27 1,-0.1 4,-2.9 -2,-0.1 3,-0.4 -0.671 19.2-115.4-102.1 155.3 -14.5 22.1 19.6 243 782 A I H > S+ 0 0 5 1,-0.2 4,-1.8 -2,-0.2 -1,-0.1 0.914 117.4 50.7 -55.0 -43.7 -13.6 23.5 23.0 244 783 A P H 4 S+ 0 0 78 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.841 111.3 47.7 -69.8 -25.9 -15.4 26.8 22.2 245 784 A E H >> S+ 0 0 123 -3,-0.4 3,-2.7 2,-0.2 4,-0.6 0.972 107.8 55.1 -70.5 -54.0 -18.6 24.9 21.1 246 785 A L H >< S+ 0 0 0 -4,-2.9 3,-1.0 1,-0.3 6,-0.4 0.830 101.7 61.1 -42.2 -37.7 -18.4 22.7 24.3 247 786 A L T 3< S+ 0 0 49 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.706 107.1 42.7 -66.3 -21.0 -18.4 25.9 26.3 248 787 A A T <4 S+ 0 0 77 -3,-2.7 -1,-0.2 -4,-0.4 -2,-0.2 0.325 89.9 122.4-104.0 3.8 -21.9 26.9 24.9 249 788 A H S S+ 0 0 53 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.792 110.0 65.3 -45.8 -33.7 -26.5 22.9 27.3 251 790 A Y H 4 S+ 0 0 0 1,-0.2 -26,-0.1 2,-0.2 -4,-0.1 0.959 110.2 31.3 -62.8 -53.5 -24.6 20.7 29.7 252 791 A V H 4 S+ 0 0 12 -3,-0.5 -1,-0.2 -6,-0.4 -5,-0.1 0.648 125.2 48.3 -77.1 -14.0 -22.2 23.4 31.0 253 792 A Q H < S+ 0 0 132 -4,-1.5 2,-0.4 1,-0.1 -2,-0.2 0.764 106.8 47.9-102.9 -24.4 -24.8 26.2 30.6 254 793 A I < 0 0 104 -4,-2.6 -1,-0.1 -5,-0.2 -5,-0.0 -0.936 360.0 360.0-121.0 140.2 -28.0 24.8 32.2 255 794 A Q 0 0 120 -2,-0.4 -3,-0.0 -3,-0.1 -2,-0.0 -0.534 360.0 360.0-147.5 360.0 -28.7 23.1 35.6