==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-MAR-10 2X9E . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN KINASE TTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.COLOMBO,M.CALDARELLI,M.MENNECOZZI,M.L.GIORGINI,F.SOLA,P.CA . 253 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13329.0 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 . 43 17.0 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 1.6 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 . 11 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 1 0 0 1 0 0 0 0 0 2 0 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 1 515 A N 0 0 161 0, 0.0 2,-0.2 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 113.6 6.6 28.1 -14.6 2 516 A E - 0 0 118 11,-0.1 11,-1.6 1,-0.0 2,-0.2 -0.694 360.0-145.9-127.9 166.0 3.2 28.7 -16.0 3 517 A C E -A 12 0A 74 9,-0.3 2,-0.4 -2,-0.2 9,-0.2 -0.713 5.3-140.6-132.3 173.4 0.2 31.0 -15.6 4 518 A I E -A 11 0A 14 7,-1.9 7,-1.9 -2,-0.2 2,-0.6 -1.000 11.2-144.2-140.7 132.5 -3.6 31.4 -15.7 5 519 A S E +A 10 0A 62 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.881 21.6 174.7 -97.3 120.8 -5.8 34.2 -17.0 6 520 A V E > S-A 9 0A 0 3,-3.0 3,-1.9 -2,-0.6 -2,-0.0 -0.977 77.0 -18.3-127.2 117.4 -8.9 34.8 -14.9 7 521 A K T 3 S- 0 0 124 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.922 125.6 -58.7 47.6 47.2 -11.0 37.7 -15.9 8 522 A G T 3 S+ 0 0 60 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.364 116.8 110.7 75.2 -7.8 -8.0 39.1 -17.8 9 523 A R E < -A 6 0A 91 -3,-1.9 -3,-3.0 22,-0.0 2,-0.4 -0.720 61.2-130.5-103.7 154.8 -5.9 39.2 -14.6 10 524 A I E +A 5 0A 85 -2,-0.3 21,-0.4 -5,-0.2 2,-0.4 -0.843 22.5 179.6-121.5 140.5 -3.0 36.8 -14.2 11 525 A Y E -A 4 0A 16 -7,-1.9 -7,-1.9 -2,-0.4 2,-0.7 -0.991 22.8-134.2-133.1 141.4 -1.7 34.4 -11.6 12 526 A S E -AB 3 29A 18 17,-3.1 17,-1.6 -2,-0.4 -9,-0.3 -0.857 24.7-122.7 -99.8 121.3 1.4 32.1 -11.7 13 527 A I E + B 0 28A 28 -11,-1.6 15,-0.3 -2,-0.7 -11,-0.1 -0.225 29.3 177.0 -44.3 140.9 0.9 28.6 -10.5 14 528 A L E - 0 0 86 13,-3.4 2,-0.3 1,-0.4 14,-0.2 0.575 64.9 -21.3-116.5 -40.9 3.2 27.7 -7.7 15 529 A K E - B 0 27A 118 12,-1.7 12,-3.2 0, 0.0 -1,-0.4 -0.957 60.1-109.4-165.3 153.4 2.0 24.2 -7.1 16 530 A Q E + B 0 26A 92 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.629 34.3 168.0 -81.2 139.7 -0.8 21.8 -7.6 17 531 A I E + 0 0 92 8,-3.3 2,-0.2 1,-0.4 -1,-0.2 0.687 55.2 33.8-112.7 -76.9 -2.7 20.9 -4.5 18 532 A G E - 0 0 24 7,-0.1 7,-2.3 2,-0.0 -1,-0.4 -0.531 52.2-172.0 -88.5 149.8 -6.0 19.1 -5.1 19 533 A S E + B 0 24A 88 5,-0.2 5,-0.2 -2,-0.2 3,-0.1 -0.986 12.3 165.3-130.3 142.9 -7.0 16.7 -7.9 20 534 A G - 0 0 53 3,-2.2 2,-0.9 -2,-0.3 4,-0.1 -0.091 59.1 -94.9-147.6 36.8 -10.6 15.6 -8.3 21 535 A G S S+ 0 0 70 2,-0.2 2,-0.2 1,-0.2 -1,-0.2 -0.747 116.6 23.4 86.3-106.1 -10.7 14.0 -11.8 22 536 A S S S+ 0 0 62 -2,-0.9 20,-3.0 -3,-0.1 2,-0.3 -0.059 124.2 63.7 -84.8 34.2 -11.9 16.7 -14.2 23 537 A S E - C 0 41A 19 18,-0.2 -3,-2.2 -2,-0.2 2,-0.3 -0.992 57.6-170.7-158.5 149.7 -10.6 19.4 -11.8 24 538 A K E -BC 19 40A 90 16,-1.8 16,-3.1 -2,-0.3 2,-0.4 -0.974 12.2-146.8-142.3 151.5 -7.5 20.7 -10.2 25 539 A V E - C 0 39A 37 -7,-2.3 -8,-3.3 -2,-0.3 2,-0.4 -0.981 18.5-171.4-123.1 137.6 -6.6 23.2 -7.5 26 540 A F E -BC 16 38A 27 12,-1.9 12,-2.4 -2,-0.4 2,-0.5 -0.977 24.7-134.6-129.1 138.3 -3.4 25.3 -7.7 27 541 A Q E +BC 15 37A 42 -12,-3.2 -13,-3.4 -2,-0.4 -12,-1.7 -0.816 43.5 178.0 -83.5 135.0 -1.7 27.5 -5.3 28 542 A V E -BC 13 36A 0 8,-2.5 8,-1.9 -2,-0.5 2,-0.4 -0.800 30.7-125.1-139.2 170.6 -0.8 30.6 -7.3 29 543 A L E -BC 12 35A 25 -17,-1.6 -17,-3.1 -2,-0.3 6,-0.2 -0.990 26.0-150.4-127.6 127.2 0.7 34.0 -7.1 30 544 A N > - 0 0 13 4,-3.8 3,-1.2 -2,-0.4 -19,-0.2 -0.170 36.1 -84.2 -88.4-176.3 -1.1 37.0 -8.3 31 545 A E T 3 S+ 0 0 125 -21,-0.4 2,-2.5 1,-0.3 -20,-0.0 0.975 128.0 48.9 -47.3 -76.9 0.1 40.3 -9.7 32 546 A K T 3 S- 0 0 118 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.089 124.5-104.8 -57.4 29.8 0.8 42.1 -6.4 33 547 A K S < S+ 0 0 156 -2,-2.5 2,-0.3 -3,-1.2 -1,-0.2 0.712 75.6 143.7 50.2 28.8 2.7 38.9 -5.5 34 548 A Q - 0 0 94 1,-0.0 -4,-3.8 0, 0.0 2,-0.4 -0.679 48.3-118.5 -93.2 155.9 -0.1 37.7 -3.2 35 549 A I E +C 29 0A 81 -2,-0.3 55,-0.4 -6,-0.2 2,-0.2 -0.768 38.1 159.7-108.1 137.1 -0.9 34.0 -2.9 36 550 A Y E -C 28 0A 44 -8,-1.9 -8,-2.5 -2,-0.4 2,-0.4 -0.797 34.3-113.6-140.2 173.6 -4.3 32.5 -3.8 37 551 A A E -CD 27 88A 9 51,-2.9 51,-2.5 -2,-0.2 2,-0.5 -0.955 22.1-161.8-114.5 141.7 -6.0 29.2 -4.7 38 552 A I E -CD 26 87A 0 -12,-2.4 -12,-1.9 -2,-0.4 2,-0.4 -0.970 4.8-156.6-124.7 120.5 -7.6 28.5 -8.0 39 553 A K E -CD 25 86A 61 47,-1.6 47,-2.2 -2,-0.5 2,-0.4 -0.775 14.9-164.2 -85.8 131.9 -10.0 25.7 -8.5 40 554 A Y E -CD 24 85A 45 -16,-3.1 -16,-1.8 -2,-0.4 2,-0.4 -0.971 5.9-170.9-122.2 135.2 -10.2 24.6 -12.2 41 555 A V E -CD 23 84A 2 43,-1.9 43,-1.6 -2,-0.4 2,-0.4 -0.984 15.4-140.3-133.0 124.3 -12.9 22.5 -13.7 42 556 A N E - D 0 83A 45 -20,-3.0 2,-0.3 -2,-0.4 3,-0.3 -0.682 11.8-171.3 -86.0 127.5 -13.0 21.0 -17.1 43 557 A L + 0 0 10 39,-3.9 40,-0.1 -2,-0.4 -1,-0.1 -0.509 48.8 113.2-115.1 60.4 -16.3 21.1 -19.0 44 558 A E S S+ 0 0 91 -2,-0.3 -1,-0.2 1,-0.1 39,-0.1 0.814 88.5 29.3 -94.8 -36.9 -15.6 18.9 -22.0 45 559 A E S S+ 0 0 158 -3,-0.3 2,-0.3 2,-0.1 -2,-0.1 0.186 90.4 136.6-110.1 9.3 -17.9 16.0 -21.2 46 560 A A - 0 0 31 35,-0.1 2,-0.3 36,-0.1 -3,-0.1 -0.462 39.8-157.9 -66.8 121.4 -20.3 18.3 -19.3 47 561 A D > - 0 0 74 -2,-0.3 4,-3.4 1,-0.1 5,-0.2 -0.795 34.6-103.4 -98.4 145.9 -23.9 17.6 -20.2 48 562 A N H > S+ 0 0 120 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.773 122.2 52.5 -39.6 -41.2 -26.5 20.3 -19.6 49 563 A Q H >> S+ 0 0 138 2,-0.2 4,-1.7 1,-0.2 3,-0.7 0.995 114.2 39.0 -56.1 -75.2 -27.6 18.5 -16.5 50 564 A T H 3> S+ 0 0 25 1,-0.2 4,-1.3 2,-0.2 105,-0.4 0.860 115.1 60.9 -36.4 -44.2 -24.2 18.3 -15.0 51 565 A L H >X S+ 0 0 27 -4,-3.4 4,-1.8 1,-0.2 3,-0.5 0.920 102.3 45.2 -57.4 -51.7 -23.6 21.7 -16.3 52 566 A D H < S+ 0 0 65 -4,-2.7 3,-0.8 -5,-0.3 4,-0.3 0.882 117.0 43.4 -45.5 -43.7 -20.9 33.4 -4.5 63 577 A K H >< S+ 0 0 108 -4,-2.4 3,-0.8 -5,-0.3 -2,-0.2 0.965 107.9 55.5 -70.9 -51.7 -24.2 34.5 -3.0 64 578 A L G >X S+ 0 0 0 -4,-4.0 3,-1.1 1,-0.2 4,-0.7 0.319 82.0 100.0 -68.8 14.6 -23.7 33.0 0.5 65 579 A Q G X4 S+ 0 0 19 -3,-0.8 3,-1.0 -4,-0.3 2,-0.3 0.983 80.0 44.2 -66.2 -54.8 -20.4 34.9 0.8 66 580 A Q G <4 S+ 0 0 142 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 0.018 104.7 68.7 -85.5 31.2 -21.6 37.8 2.9 67 581 A H G <4 S+ 0 0 96 -3,-1.1 2,-0.3 -2,-0.3 -1,-0.2 0.651 105.9 16.5-112.8 -29.7 -23.6 35.5 5.2 68 582 A S X< - 0 0 7 -3,-1.0 3,-0.8 -4,-0.7 -1,-0.3 -0.946 47.0-152.0-155.6 129.7 -20.9 33.5 7.0 69 583 A D T 3 S+ 0 0 80 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.538 94.5 73.9 -67.5 -9.7 -17.1 33.8 7.6 70 584 A K T 3 S+ 0 0 15 77,-0.1 78,-1.9 2,-0.1 2,-0.4 0.022 80.8 79.6-103.9 28.8 -17.0 30.1 7.9 71 585 A I B < S-f 148 0B 0 -3,-0.8 78,-0.2 76,-0.3 -3,-0.1 -0.981 96.3 -93.1-127.3 144.1 -17.4 29.4 4.2 72 586 A I - 0 0 7 76,-2.9 2,-0.2 -2,-0.4 -2,-0.1 -0.207 43.2-111.9 -59.5 144.9 -14.5 29.7 1.9 73 587 A R - 0 0 50 -4,-0.1 16,-1.0 1,-0.0 2,-0.5 -0.558 22.6-156.3 -76.1 141.8 -14.0 33.2 0.3 74 588 A L E +E 88 0A 12 -2,-0.2 14,-0.3 14,-0.2 3,-0.1 -0.932 12.6 179.6-120.6 107.4 -14.6 33.4 -3.4 75 589 A Y E - 0 0 123 12,-3.0 2,-0.3 -2,-0.5 13,-0.2 0.900 60.3 -25.3 -79.7 -44.8 -12.7 36.3 -4.9 76 590 A D E -E 87 0A 49 11,-1.0 11,-3.3 2,-0.0 2,-0.3 -0.982 56.1-157.7-161.2 163.0 -13.5 36.1 -8.6 77 591 A Y E -E 86 0A 81 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.996 8.4-156.3-146.4 152.5 -14.5 33.6 -11.2 78 592 A E E -E 85 0A 29 7,-2.5 7,-2.5 -2,-0.3 2,-0.4 -0.972 17.2-174.0-120.6 140.6 -14.5 33.1 -15.0 79 593 A I E +E 84 0A 77 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.970 12.2 154.1-141.7 128.0 -16.9 30.8 -16.6 80 594 A T - 0 0 40 3,-2.7 3,-0.1 -2,-0.4 -2,-0.0 -0.777 58.8 -84.7-137.8-177.6 -17.2 29.6 -20.2 81 595 A D S S+ 0 0 123 -2,-0.2 -35,-0.1 1,-0.2 3,-0.1 0.632 125.6 37.2 -70.0 -13.9 -18.5 26.7 -22.1 82 596 A Q S S+ 0 0 92 1,-0.2 -39,-3.9 -40,-0.1 2,-0.3 0.655 122.1 1.7-111.5 -22.8 -15.4 24.7 -21.6 83 597 A Y E -D 42 0A 64 -41,-0.2 -3,-2.7 -3,-0.1 2,-0.4 -0.981 47.2-136.5-158.9 164.7 -14.3 25.6 -18.1 84 598 A I E -DE 41 79A 1 -43,-1.6 -43,-1.9 -2,-0.3 2,-0.4 -0.996 13.3-168.3-124.5 140.0 -14.6 27.4 -14.8 85 599 A Y E -DE 40 78A 47 -7,-2.5 -7,-2.5 -2,-0.4 2,-0.4 -0.999 8.3-173.1-118.3 130.6 -11.9 29.2 -12.9 86 600 A M E -DE 39 77A 13 -47,-2.2 -47,-1.6 -2,-0.4 2,-0.7 -0.979 14.7-148.9-120.1 137.9 -12.5 30.2 -9.4 87 601 A V E +DE 38 76A 1 -11,-3.3 -12,-3.0 -2,-0.4 -11,-1.0 -0.892 30.3 164.9-106.0 107.5 -10.2 32.3 -7.3 88 602 A M E -DE 37 74A 12 -51,-2.5 -51,-2.9 -2,-0.7 -14,-0.2 -0.768 43.4 -82.4-118.4 164.7 -10.5 31.5 -3.6 89 603 A E - 0 0 20 -16,-1.0 2,-0.5 -2,-0.3 -53,-0.2 -0.284 44.6-124.4 -58.4 148.7 -8.5 32.1 -0.5 90 604 A C - 0 0 33 -55,-0.4 2,-0.1 -62,-0.1 -1,-0.1 -0.884 29.7-162.7-100.7 130.2 -5.6 29.8 -0.0 91 605 A G - 0 0 21 -2,-0.5 51,-0.2 1,-0.1 3,-0.1 -0.342 27.9-112.5-104.4-174.2 -5.5 28.0 3.3 92 606 A N S S- 0 0 112 49,-2.0 2,-0.3 1,-0.4 50,-0.1 0.906 83.5 -36.9 -90.2 -47.3 -2.9 26.1 5.2 93 607 A I E -G 141 0B 46 48,-1.1 48,-2.9 -3,-0.0 -1,-0.4 -0.973 61.1 -96.8-166.5 171.8 -4.4 22.6 5.0 94 608 A D E > -G 140 0B 40 -2,-0.3 4,-2.0 46,-0.2 46,-0.2 -0.577 36.2-112.4 -96.4 163.4 -7.7 20.7 4.9 95 609 A L H > S+ 0 0 1 44,-1.4 4,-1.7 41,-0.7 42,-0.2 0.875 110.7 58.1 -65.6 -37.8 -9.2 19.1 8.0 96 610 A N H > S+ 0 0 35 40,-0.5 4,-2.7 43,-0.3 -1,-0.2 0.931 110.0 42.4 -62.0 -48.8 -8.8 15.5 6.8 97 611 A S H >>S+ 0 0 43 2,-0.3 4,-3.3 1,-0.2 5,-0.5 0.973 110.2 55.3 -55.9 -57.5 -5.0 15.8 6.3 98 612 A W H X5S+ 0 0 54 -4,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.832 112.1 48.4 -49.2 -30.2 -4.6 17.7 9.6 99 613 A L H <5S+ 0 0 12 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.3 0.952 110.7 46.5 -72.8 -53.6 -6.4 14.7 11.0 100 614 A K H <5S+ 0 0 145 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.954 121.9 38.5 -52.7 -53.7 -4.3 12.0 9.3 101 615 A K H <5S+ 0 0 167 -4,-3.3 2,-0.2 -5,-0.1 -1,-0.2 0.831 108.2 75.2 -67.3 -34.8 -1.1 13.9 10.3 102 616 A K << + 0 0 55 -4,-1.7 3,-0.1 -5,-0.5 0, 0.0 -0.583 47.1 173.8 -84.7 142.7 -2.4 14.8 13.7 103 617 A K + 0 0 164 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.127 66.1 55.1-131.4 18.3 -2.6 12.3 16.5 104 618 A S - 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0 0 59 -4,-2.0 3,-1.1 -3,-0.6 25,-0.1 -0.580 55.9-154.0 -78.7 123.5 -29.5 -2.0 12.0 211 750 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 24,-0.1 0.791 90.4 60.1 -63.0 -29.5 -31.1 -0.6 15.2 212 751 A N T 3 S+ 0 0 143 2,-0.1 2,-0.4 -3,-0.0 -5,-0.1 0.620 80.0 96.6 -85.1 -13.0 -29.7 -3.4 17.4 213 752 A H S < S- 0 0 59 -3,-1.1 2,-0.7 -6,-0.2 0, 0.0 -0.630 71.8-138.9 -71.4 129.7 -26.1 -2.6 16.6 214 753 A E - 0 0 166 -2,-0.4 2,-0.4 3,-0.0 -2,-0.1 -0.834 2.8-140.4 -91.6 118.0 -24.7 -0.4 19.4 215 754 A I - 0 0 16 -2,-0.7 2,-0.4 18,-0.1 -20,-0.1 -0.648 37.6-118.2 -62.2 131.2 -22.4 2.4 18.4 216 755 A E - 0 0 137 -2,-0.4 -1,-0.1 -22,-0.3 -3,-0.0 -0.639 29.1-166.7 -82.3 132.1 -19.9 2.1 21.2 217 756 A F - 0 0 46 -2,-0.4 2,-0.1 13,-0.0 3,-0.1 -0.733 9.4-154.7-125.5 85.0 -19.7 5.1 23.5 218 757 A P - 0 0 50 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.306 26.5-109.4 -52.5 122.6 -16.6 4.9 25.7 219 758 A D + 0 0 129 -2,-0.1 4,-0.1 1,-0.0 3,-0.1 -0.303 49.3 168.9 -58.8 141.2 -16.9 6.9 28.9 220 759 A I - 0 0 40 2,-0.1 6,-0.1 1,-0.1 -1,-0.0 -0.904 48.6 -91.6-149.2 169.6 -14.6 9.9 28.9 221 760 A P S S+ 0 0 122 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.967 110.0 61.3 -50.8 -63.9 -14.0 13.1 30.9 222 761 A E > + 0 0 48 1,-0.2 4,-0.9 -3,-0.1 -2,-0.1 -0.535 56.2 175.1 -73.0 117.8 -16.4 15.3 28.9 223 762 A K H > S+ 0 0 100 -2,-0.5 4,-3.2 2,-0.2 -1,-0.2 0.702 78.9 63.1 -97.6 -25.1 -19.9 14.0 29.2 224 763 A D H >> S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 3,-0.5 0.999 107.3 43.8 -48.6 -72.6 -21.3 16.9 27.2 225 764 A L H 3> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.845 112.9 52.3 -40.1 -46.5 -19.3 15.7 24.3 226 765 A Q H 3X S+ 0 0 2 -4,-0.9 4,-2.0 2,-0.2 -1,-0.3 0.945 110.8 47.9 -60.3 -46.4 -20.4 12.1 25.0 227 766 A D H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.3 3,-0.7 0.877 108.8 46.3 -40.0 -61.9 -23.7 15.1 21.8 229 768 A L H 3X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.3 -1,-0.3 0.878 111.0 53.7 -53.9 -41.2 -22.4 12.2 19.8 230 769 A K H 3< S+ 0 0 94 -4,-2.0 -1,-0.3 -3,-0.4 -2,-0.2 0.873 113.1 43.9 -61.4 -33.5 -25.0 10.0 21.3 231 770 A C H X< S+ 0 0 12 -4,-2.1 10,-1.5 -3,-0.7 3,-0.7 0.764 111.5 52.1 -84.5 -26.0 -27.7 12.4 20.1 232 771 A C H 3< S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.778 107.2 53.6 -79.7 -26.4 -26.2 13.0 16.7 233 772 A L T 3< S+ 0 0 8 -4,-1.7 2,-0.5 -5,-0.2 -1,-0.2 0.037 70.2 134.8-101.2 26.5 -26.0 9.3 15.9 234 773 A K < - 0 0 94 -3,-0.7 6,-0.3 1,-0.2 5,-0.1 -0.661 51.5-144.4 -77.7 121.7 -29.6 8.5 16.6 235 774 A R S S+ 0 0 37 -2,-0.5 -70,-0.2 -24,-0.1 -1,-0.2 0.900 82.0 74.8 -61.9 -45.4 -30.6 6.3 13.7 236 775 A D S >> S- 0 0 67 1,-0.2 4,-1.8 -72,-0.1 3,-0.8 -0.551 73.3-152.8 -67.0 122.0 -34.2 7.6 13.4 237 776 A P T 34 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.885 92.9 60.9 -66.2 -37.0 -33.9 11.1 11.9 238 777 A K T 34 S+ 0 0 188 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.1 0.789 111.6 41.7 -62.3 -24.0 -37.1 12.3 13.5 239 778 A Q T <4 S+ 0 0 136 -3,-0.8 -1,-0.2 -5,-0.1 3,-0.1 0.830 91.5 105.1 -87.0 -36.6 -35.4 11.6 16.8 240 779 A R S < S- 0 0 1 -4,-1.8 -8,-0.2 -6,-0.3 -9,-0.1 -0.011 80.5-101.0 -50.9 146.6 -31.9 13.0 15.9 241 780 A I - 0 0 19 -10,-1.5 2,-0.3 -13,-0.2 -1,-0.1 -0.272 36.3-127.6 -65.2 158.0 -31.0 16.3 17.4 242 781 A S > - 0 0 31 -3,-0.1 4,-2.6 1,-0.1 3,-0.4 -0.709 17.9-112.9-105.3 160.0 -31.3 19.4 15.2 243 782 A I H > S+ 0 0 7 -2,-0.3 4,-1.9 1,-0.3 5,-0.2 0.855 117.7 55.3 -58.8 -37.8 -28.7 22.1 14.5 244 783 A P H 4 S+ 0 0 85 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.902 113.0 43.6 -66.0 -29.2 -30.7 24.7 16.3 245 784 A E H >4 S+ 0 0 105 -3,-0.4 3,-1.2 1,-0.2 -2,-0.2 0.873 110.3 55.2 -74.4 -38.0 -30.6 22.4 19.3 246 785 A L H >< S+ 0 0 1 -4,-2.6 3,-0.8 1,-0.3 6,-0.2 0.784 102.7 56.1 -71.4 -25.8 -27.0 21.6 18.8 247 786 A L T 3< S+ 0 0 57 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.696 111.9 44.5 -72.7 -17.4 -26.0 25.2 18.9 248 787 A A T < S+ 0 0 70 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.144 87.3 113.6-115.7 14.5 -27.7 25.5 22.3 249 788 A H S X> S- 0 0 17 -3,-0.8 4,-1.2 1,-0.1 3,-1.0 -0.505 77.9-114.2 -83.6 154.6 -26.3 22.3 23.9 250 789 A P H >> S+ 0 0 45 0, 0.0 4,-2.2 0, 0.0 3,-1.5 0.945 109.6 72.6 -50.4 -48.5 -24.0 22.6 26.8 251 790 A Y H 34 S+ 0 0 0 1,-0.3 -26,-0.1 2,-0.2 -27,-0.1 0.766 114.1 26.3 -43.9 -32.0 -21.1 21.1 24.8 252 791 A V H <4 S+ 0 0 20 -3,-1.0 -1,-0.3 -6,-0.2 -5,-0.1 0.635 130.8 41.7 -98.8 -19.3 -20.9 24.4 22.9 253 792 A Q H << S+ 0 0 121 -3,-1.5 2,-0.4 -4,-1.2 -2,-0.2 0.845 97.4 64.5-104.0 -42.5 -22.4 26.6 25.6 254 793 A I < 0 0 109 -4,-2.2 -1,-0.1 1,-0.1 -5,-0.0 -0.813 360.0 360.0-113.1 133.9 -21.2 25.9 29.1 255 794 A Q 0 0 211 -2,-0.4 -1,-0.1 -3,-0.1 -4,-0.0 -0.373 360.0 360.0-178.1 360.0 -18.3 25.9 31.3