==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JUN-12 4FVQ . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE JAK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.M.BANDARANAYAKE,S.R.HUBBARD . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.4 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-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 . 17 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 1 1 2 0 2 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 2 0 0 2 1 0 1 0 0 0 1 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 1 536 A V 0 0 132 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 155.9 10.9 25.1 17.9 2 537 A F - 0 0 44 1,-0.1 2,-0.1 77,-0.0 77,-0.1 -0.394 360.0-102.9 -71.2 143.4 7.3 25.3 19.1 3 538 A H - 0 0 118 75,-0.2 77,-2.4 -2,-0.1 2,-0.5 -0.439 39.5-123.6 -54.8 133.4 5.5 28.6 19.8 4 539 A K B -a 80 0A 72 75,-0.2 2,-0.4 -2,-0.1 77,-0.2 -0.755 24.3-161.4 -89.9 126.3 5.3 29.1 23.6 5 540 A I - 0 0 7 75,-3.1 78,-0.3 -2,-0.5 77,-0.3 -0.917 19.4-121.5-110.0 133.0 1.8 29.5 25.0 6 541 A R > - 0 0 140 -2,-0.4 3,-1.5 1,-0.1 4,-0.2 -0.467 12.2-132.1 -70.0 140.8 1.3 31.0 28.5 7 542 A N G > S+ 0 0 59 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.863 107.1 64.5 -60.4 -33.8 -0.5 28.9 31.1 8 543 A E G 3 S+ 0 0 142 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.671 98.0 54.3 -60.7 -21.5 -2.6 32.0 31.8 9 544 A D G < S+ 0 0 40 -3,-1.5 21,-2.5 20,-0.1 2,-0.4 0.346 98.4 77.5 -95.6 5.3 -4.1 31.9 28.3 10 545 A L E < -B 29 0A 12 -3,-1.7 2,-0.4 19,-0.2 19,-0.2 -0.938 56.8-167.7-116.9 134.6 -5.3 28.3 28.6 11 546 A I E -B 28 0A 93 17,-2.4 17,-1.9 -2,-0.4 2,-0.5 -0.995 16.9-141.2-118.6 128.6 -8.4 27.0 30.4 12 547 A F E +B 27 0A 64 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.757 29.4 165.3 -87.4 125.3 -8.7 23.2 31.0 13 548 A N E + 0 0 78 13,-3.0 14,-0.1 -2,-0.5 -1,-0.1 0.028 44.8 0.8-114.5-134.5 -12.2 21.8 30.6 14 549 A E E - 0 0 106 11,-0.1 12,-2.6 1,-0.1 2,-0.3 -0.129 67.5-115.9 -68.3 148.9 -13.4 18.3 30.2 15 550 A S E -B 25 0A 75 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.601 18.0-168.4 -74.5 135.6 -11.3 15.2 30.3 16 551 A L E - 0 0 87 8,-2.6 2,-0.2 1,-0.4 9,-0.2 0.178 52.5-102.7-107.0 10.0 -11.2 13.1 27.1 17 552 A G E -B 24 0A 29 7,-0.7 7,-2.7 2,-0.0 -1,-0.4 -0.658 47.2 -50.1 110.5-158.3 -9.4 10.3 28.8 18 553 A Q E -B 23 0A 179 -2,-0.2 5,-0.2 5,-0.2 2,-0.1 -0.913 40.4-177.5-124.6 141.4 -5.9 9.0 28.9 19 554 A G E > -B 22 0A 28 3,-1.4 2,-1.1 -2,-0.4 3,-0.6 -0.275 59.8 -38.7-113.1-151.9 -3.3 8.1 26.2 20 555 A T T 3 S- 0 0 37 1,-0.3 147,-0.3 -2,-0.1 3,-0.1 -0.649 127.2 -27.3 -82.5 102.0 0.1 6.7 26.5 21 556 A F T 3 S+ 0 0 33 -2,-1.1 28,-3.0 1,-0.2 2,-0.3 0.717 124.5 103.3 62.1 25.9 1.5 8.4 29.6 22 557 A T E < -BC 19 48A 11 -3,-0.6 -3,-1.4 26,-0.2 2,-0.4 -0.904 61.2-146.6-133.0 160.3 -0.8 11.3 28.9 23 558 A K E -BC 18 47A 23 24,-2.1 24,-3.2 -2,-0.3 2,-0.4 -0.993 24.3-151.0-121.0 133.3 -4.0 12.9 30.1 24 559 A I E +BC 17 46A 24 -7,-2.7 -8,-2.6 -2,-0.4 -7,-0.7 -0.888 17.0 176.6-112.5 136.9 -6.1 14.6 27.4 25 560 A F E -BC 15 45A 55 20,-2.5 20,-3.2 -2,-0.4 2,-0.4 -0.968 31.2-124.8-134.3 149.5 -8.4 17.6 27.9 26 561 A K E + C 0 44A 44 -12,-2.6 -13,-3.0 -2,-0.3 2,-0.3 -0.763 47.1 166.3 -81.6 139.1 -10.6 19.9 25.9 27 562 A G E -BC 12 43A 1 16,-2.8 16,-2.6 -2,-0.4 2,-0.4 -0.848 35.5-117.2-144.0-178.6 -9.6 23.5 26.6 28 563 A V E -BC 11 42A 30 -17,-1.9 -17,-2.4 -2,-0.3 2,-0.5 -0.996 19.4-159.4-126.3 133.8 -9.9 27.1 25.5 29 564 A R E -BC 10 41A 23 12,-2.7 12,-2.8 -2,-0.4 2,-0.5 -0.970 7.6-150.0-113.8 125.2 -7.0 29.3 24.4 30 565 A R E + C 0 40A 109 -21,-2.5 2,-0.3 -2,-0.5 10,-0.2 -0.825 35.0 156.4 -88.7 128.3 -7.2 33.1 24.5 31 566 A E E - C 0 39A 46 8,-2.6 8,-3.1 -2,-0.5 2,-0.6 -0.984 48.9-115.2-149.9 159.7 -5.1 34.6 21.7 32 567 A V E - C 0 38A 98 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.900 45.8-176.0 -93.5 120.9 -4.5 37.6 19.5 33 568 A G > - 0 0 22 4,-3.7 3,-1.6 -2,-0.6 4,-0.1 -0.047 38.2 -30.0-101.3-154.9 -5.2 36.4 16.0 34 569 A D G > S+ 0 0 132 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 -0.243 128.2 16.0 -62.3 148.2 -4.9 37.9 12.6 35 570 A Y G 3 S- 0 0 236 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.614 128.1 -73.5 61.4 17.9 -5.5 41.7 12.4 36 571 A G G < S+ 0 0 56 -3,-1.6 2,-0.3 1,-0.3 -1,-0.3 0.628 88.3 154.0 77.3 13.5 -5.0 42.0 16.2 37 572 A Q < - 0 0 113 -3,-1.6 -4,-3.7 -4,-0.1 2,-0.3 -0.593 43.3-126.6 -82.1 130.7 -8.4 40.4 16.8 38 573 A L E -C 32 0A 87 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.612 32.8-176.5 -76.3 134.5 -8.9 38.7 20.2 39 574 A H E -C 31 0A 78 -8,-3.1 -8,-2.6 -2,-0.3 2,-0.5 -0.950 28.8-151.8-128.9 150.5 -10.1 35.1 20.0 40 575 A E E -C 30 0A 120 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.992 31.4-169.4-115.4 116.7 -11.1 32.3 22.3 41 576 A T E -C 29 0A 34 -12,-2.8 -12,-2.7 -2,-0.5 2,-0.2 -0.912 24.5-120.9-116.2 128.9 -10.3 29.1 20.5 42 577 A E E +C 28 0A 104 -2,-0.4 51,-0.6 -14,-0.2 2,-0.3 -0.477 43.3 179.7 -60.8 133.9 -11.3 25.5 21.4 43 578 A V E -CD 27 92A 0 -16,-2.6 -16,-2.8 -2,-0.2 2,-0.5 -0.924 32.4-123.6-137.6 162.8 -8.1 23.5 21.7 44 579 A L E -CD 26 91A 17 47,-3.1 47,-2.9 -2,-0.3 2,-0.6 -0.939 27.2-158.1-104.6 125.1 -7.0 19.9 22.5 45 580 A L E -CD 25 90A 0 -20,-3.2 -20,-2.5 -2,-0.5 2,-0.6 -0.938 5.4-166.5-112.0 117.0 -4.6 19.8 25.5 46 581 A K E -CD 24 89A 30 43,-2.5 43,-2.2 -2,-0.6 2,-0.6 -0.938 8.7-164.3-103.8 117.9 -2.3 16.8 25.8 47 582 A V E -CD 23 88A 19 -24,-3.2 -24,-2.1 -2,-0.6 41,-0.2 -0.901 14.7-136.6-110.4 115.3 -0.6 16.7 29.2 48 583 A L E -C 22 0A 7 39,-2.3 39,-0.5 -2,-0.6 -26,-0.2 -0.465 36.8-103.2 -64.1 131.1 2.4 14.4 29.8 49 584 A D > - 0 0 59 -28,-3.0 3,-1.1 -2,-0.2 -1,-0.1 -0.306 21.1-133.8 -56.5 136.8 2.0 12.6 33.1 50 585 A K G > S+ 0 0 84 1,-0.2 3,-1.8 2,-0.2 -1,-0.1 0.925 107.0 57.4 -56.0 -45.8 4.2 14.1 35.8 51 586 A A G 3 S+ 0 0 86 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.645 109.4 45.8 -59.6 -18.3 5.4 10.6 36.8 52 587 A H G X + 0 0 56 -3,-1.1 3,-2.3 -31,-0.2 -1,-0.3 -0.041 69.0 128.9-118.9 28.5 6.6 10.1 33.3 53 588 A R G X + 0 0 44 -3,-1.8 3,-1.3 1,-0.3 4,-0.2 0.626 60.4 75.7 -62.8 -13.6 8.4 13.4 32.8 54 589 A N G 3 S+ 0 0 119 1,-0.2 3,-0.4 -3,-0.2 -1,-0.3 0.728 91.3 56.9 -66.9 -19.0 11.5 11.4 31.6 55 590 A Y G <> S+ 0 0 36 -3,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.345 74.6 103.5 -91.9 5.6 9.6 10.9 28.3 56 591 A S H <> S+ 0 0 33 -3,-1.3 4,-2.6 1,-0.2 5,-0.3 0.879 75.2 56.1 -60.3 -39.7 9.1 14.6 27.6 57 592 A E H > S+ 0 0 78 -3,-0.4 4,-2.6 -4,-0.2 -1,-0.2 0.946 114.0 39.4 -57.9 -49.5 11.9 14.8 25.0 58 593 A S H > S+ 0 0 20 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 111.9 58.8 -65.8 -42.0 10.2 12.0 22.9 59 594 A F H X S+ 0 0 5 -4,-2.8 4,-1.0 1,-0.2 107,-0.2 0.904 118.3 30.4 -51.1 -46.5 6.7 13.4 23.7 60 595 A F H X S+ 0 0 36 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.795 111.0 63.7 -89.2 -30.9 7.7 16.8 22.1 61 596 A E H X S+ 0 0 117 -4,-2.6 4,-2.1 -5,-0.3 5,-0.2 0.923 103.0 53.5 -55.4 -47.5 10.2 15.6 19.5 62 597 A A H X S+ 0 0 17 -4,-2.0 4,-1.5 1,-0.2 3,-0.2 0.969 112.0 41.1 -45.9 -72.8 7.3 13.7 17.9 63 598 A A H X S+ 0 0 0 -4,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.854 113.2 56.6 -43.7 -50.0 5.0 16.7 17.5 64 599 A S H X S+ 0 0 23 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.915 103.7 47.3 -57.9 -54.8 7.8 19.0 16.5 65 600 A M H >< S+ 0 0 26 -4,-2.1 3,-0.5 -3,-0.2 -1,-0.2 0.915 116.8 44.0 -62.1 -43.0 9.2 17.2 13.4 66 601 A M H >< S+ 0 0 7 -4,-1.5 3,-1.9 -5,-0.2 -1,-0.2 0.873 107.4 59.0 -68.8 -38.5 5.7 16.7 11.9 67 602 A S H 3< S+ 0 0 41 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.671 92.0 70.1 -64.4 -16.9 4.6 20.2 12.7 68 603 A K T << S+ 0 0 143 -4,-1.1 2,-0.4 -3,-0.5 -1,-0.3 0.592 97.0 65.1 -69.5 -11.7 7.6 21.4 10.6 69 604 A L S < S- 0 0 43 -3,-1.9 2,-0.5 -4,-0.1 60,-0.0 -0.873 74.6-153.2-110.6 142.7 5.4 20.0 7.7 70 605 A S + 0 0 117 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.986 27.6 153.8-111.9 128.1 2.1 21.5 6.7 71 606 A H > - 0 0 45 -2,-0.5 3,-1.9 3,-0.3 -2,-0.0 -0.964 49.9-123.6-153.9 144.8 -0.4 19.1 5.1 72 607 A K T 3 S+ 0 0 139 -2,-0.3 -1,-0.0 1,-0.3 53,-0.0 0.722 112.3 47.2 -61.4 -24.3 -4.2 19.1 4.9 73 608 A H T 3 S+ 0 0 8 88,-0.1 89,-2.8 48,-0.1 2,-0.4 0.154 96.4 87.7-103.5 16.3 -4.4 15.6 6.4 74 609 A L B < S-f 162 0B 8 -3,-1.9 -3,-0.3 87,-0.3 89,-0.2 -0.969 84.0-110.9-116.9 130.8 -2.1 16.3 9.3 75 610 A V - 0 0 8 87,-2.4 2,-0.4 -2,-0.4 -2,-0.1 -0.230 31.5-122.3 -60.4 142.7 -3.3 17.7 12.6 76 611 A L - 0 0 91 -6,-0.0 16,-2.7 88,-0.0 2,-0.5 -0.726 17.5-154.9 -90.9 128.5 -2.2 21.3 13.4 77 612 A N E - E 0 91A 12 -2,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.939 5.3-167.1 -99.2 131.3 -0.2 21.9 16.6 78 613 A Y E - 0 0 64 12,-2.3 2,-0.3 -2,-0.5 -75,-0.2 0.787 53.6 -83.6 -81.5 -33.1 -0.5 25.5 17.9 79 614 A G E - E 0 90A 0 11,-1.7 11,-3.2 -77,-0.1 2,-0.3 -0.993 44.4 -71.4 159.5-161.4 2.3 25.2 20.3 80 615 A V E -aE 4 89A 16 -77,-2.4 -75,-3.1 -2,-0.3 2,-0.5 -0.934 17.1-150.0-132.1 149.1 3.4 24.1 23.8 81 616 A C E + E 0 88A 0 7,-2.6 7,-1.9 -2,-0.3 -75,-0.1 -0.978 22.7 165.0-118.8 112.9 2.9 25.3 27.3 82 617 A V + 0 0 80 -2,-0.5 2,-0.1 -77,-0.3 -1,-0.1 0.032 28.0 138.2-115.8 24.6 5.9 24.4 29.5 83 618 A C > - 0 0 48 -78,-0.3 3,-1.3 2,-0.1 -2,-0.1 -0.403 67.8 -18.5 -64.6 142.0 5.0 26.7 32.3 84 619 A G T 3 S- 0 0 81 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 -0.284 122.6 -30.5 63.4-139.5 5.5 25.3 35.8 85 620 A D T 3 S+ 0 0 141 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.352 111.6 98.7 -98.9 5.9 5.8 21.5 36.2 86 621 A E < - 0 0 68 -3,-1.3 2,-0.5 2,-0.0 -37,-0.1 -0.671 55.7-156.5-100.1 143.5 3.6 20.6 33.3 87 622 A N + 0 0 37 -39,-0.5 -39,-2.3 -2,-0.3 2,-0.4 -0.972 28.0 175.8-113.7 113.1 4.5 19.6 29.7 88 623 A I E -DE 47 81A 0 -7,-1.9 -7,-2.6 -2,-0.5 2,-0.5 -0.976 25.1-153.8-130.5 125.7 1.5 20.4 27.5 89 624 A L E -DE 46 80A 1 -43,-2.2 -43,-2.5 -2,-0.4 2,-0.7 -0.862 14.7-151.0 -91.6 129.4 1.0 20.2 23.7 90 625 A V E +DE 45 79A 0 -11,-3.2 -12,-2.3 -2,-0.5 -11,-1.7 -0.914 27.6 171.2-106.2 114.7 -1.7 22.6 22.4 91 626 A Q E -DE 44 77A 4 -47,-2.9 -47,-3.1 -2,-0.7 -14,-0.2 -0.773 39.7 -84.0-127.3 158.5 -3.3 21.1 19.4 92 627 A E E -D 43 0A 25 -16,-2.7 2,-0.6 -2,-0.3 -49,-0.2 -0.382 44.1-124.6 -61.0 135.4 -6.3 21.7 17.0 93 628 A F - 0 0 48 -51,-0.6 2,-0.7 -2,-0.1 -1,-0.1 -0.795 19.3-148.3 -85.3 120.1 -9.5 20.3 18.4 94 629 A V > - 0 0 10 -2,-0.6 3,-1.9 1,-0.1 52,-0.2 -0.833 10.6-140.8 -98.9 115.3 -11.0 18.0 15.8 95 630 A K T 3 S+ 0 0 153 -2,-0.7 52,-0.2 1,-0.3 -1,-0.1 0.747 91.4 39.2 -51.5 -43.9 -14.8 18.2 16.2 96 631 A F T 3 S- 0 0 68 50,-1.9 -1,-0.3 1,-0.2 51,-0.1 0.352 96.8-148.5 -98.4 6.7 -15.9 14.5 15.6 97 632 A G < + 0 0 28 -3,-1.9 49,-2.9 49,-0.2 -1,-0.2 -0.135 46.4 4.9 69.0-154.8 -13.0 12.9 17.5 98 633 A S B > -G 145 0B 35 47,-0.2 4,-1.8 1,-0.1 47,-0.2 -0.381 54.8-136.8 -76.3 142.4 -11.4 9.5 16.9 99 634 A L H > S+ 0 0 0 45,-2.8 4,-3.1 42,-1.0 5,-0.2 0.851 102.2 58.7 -64.6 -37.4 -12.2 7.3 14.0 100 635 A D H > S+ 0 0 24 41,-0.6 4,-1.6 44,-0.3 -1,-0.2 0.927 109.8 43.9 -62.6 -40.6 -12.3 4.1 16.0 101 636 A T H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 114.8 50.3 -64.6 -41.4 -15.0 5.5 18.2 102 637 A Y H X S+ 0 0 27 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.884 106.9 53.7 -67.3 -41.3 -16.8 6.8 15.2 103 638 A L H < S+ 0 0 3 -4,-3.1 4,-0.3 1,-0.2 -1,-0.2 0.873 111.6 45.7 -58.2 -44.6 -16.7 3.5 13.4 104 639 A K H >< S+ 0 0 51 -4,-1.6 3,-0.6 -5,-0.2 -2,-0.2 0.898 115.4 46.1 -69.1 -40.0 -18.3 1.8 16.4 105 640 A K H 3< S+ 0 0 79 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.764 125.6 28.8 -74.1 -25.5 -21.0 4.4 16.8 106 641 A N T >X S+ 0 0 54 -4,-1.9 3,-1.6 -5,-0.2 4,-0.7 0.091 79.7 122.8-123.2 23.6 -21.9 4.6 13.1 107 642 A K G X4 S+ 0 0 116 -3,-0.6 3,-1.0 -4,-0.3 -1,-0.1 0.860 72.5 55.2 -67.0 -40.9 -21.1 1.2 11.9 108 643 A N G 34 S+ 0 0 104 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.752 114.4 44.9 -56.6 -23.8 -24.6 0.3 10.5 109 644 A C G <4 S+ 0 0 108 -3,-1.6 2,-0.5 2,-0.1 -1,-0.2 0.504 91.0 93.4-103.3 -7.1 -24.3 3.5 8.5 110 645 A I << - 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0 0 0 0, 0.0 4,-1.4 0, 0.0 3,-1.1 -0.270 17.0-108.5 -75.8 163.1 5.3 -4.6 13.4 186 721 A P H 3> S+ 0 0 15 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.832 116.7 55.9 -58.9 -37.6 7.2 -7.8 14.1 187 722 A E H 3> S+ 0 0 17 1,-0.2 4,-1.7 2,-0.2 7,-0.3 0.775 106.8 51.4 -68.2 -27.0 10.6 -6.4 13.4 188 723 A C H <4 S+ 0 0 0 -3,-1.1 -1,-0.2 2,-0.2 7,-0.1 0.760 107.1 51.4 -80.8 -29.3 10.0 -3.7 16.0 189 724 A I H < S+ 0 0 38 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.895 111.1 50.0 -66.7 -41.1 9.0 -6.2 18.6 190 725 A E H < S- 0 0 156 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.915 140.8 -8.8 -58.6 -46.0 12.3 -8.0 17.7 191 726 A N >< - 0 0 77 -4,-1.7 3,-2.8 -5,-0.1 -1,-0.3 -0.801 59.6-151.3-157.5 107.7 14.2 -4.7 18.1 192 727 A P G > S+ 0 0 43 0, 0.0 3,-1.2 0, 0.0 -4,-0.1 0.742 96.6 69.2 -59.4 -20.1 12.5 -1.4 18.6 193 728 A K G 3 S+ 0 0 75 1,-0.3 -5,-0.1 -6,-0.1 -23,-0.1 0.535 77.6 81.8 -71.5 -8.5 15.4 0.3 16.9 194 729 A N G < + 0 0 67 -3,-2.8 -1,-0.3 -7,-0.3 5,-0.1 0.344 61.4 139.5 -73.3 4.9 14.3 -1.4 13.7 195 730 A L < + 0 0 35 -3,-1.2 2,-0.3 -7,-0.1 -60,-0.1 -0.349 25.9 149.7 -53.7 127.1 11.8 1.6 13.4 196 731 A N >> - 0 0 93 -2,-0.1 3,-1.5 1,-0.1 4,-0.6 -0.885 65.4 -88.6-155.3 167.5 11.8 2.4 9.7 197 732 A L H >> S+ 0 0 41 1,-0.3 3,-1.2 -2,-0.3 4,-0.8 0.888 124.5 65.1 -58.2 -35.2 9.5 3.8 6.9 198 733 A A H 3> S+ 0 0 9 1,-0.3 4,-1.4 2,-0.2 3,-0.4 0.766 88.1 71.7 -57.7 -25.1 8.4 0.2 6.4 199 734 A T H <> S+ 0 0 0 -3,-1.5 4,-2.0 1,-0.2 -1,-0.3 0.903 94.4 50.7 -53.3 -46.2 7.0 0.4 9.9 200 735 A D H <>S+ 0 0 2 -4,-1.9 5,-1.2 1,-0.2 3,-0.8 0.897 108.3 54.2 -57.1 -45.4 -9.9 -1.5 12.0 211 746 A I H 3<5S+ 0 0 2 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.838 114.1 41.9 -62.3 -33.2 -11.7 0.6 9.4 212 747 A C H 3<5S+ 0 0 14 -4,-1.8 30,-0.5 -3,-0.3 -1,-0.3 0.559 107.3 64.5 -86.3 -9.8 -13.3 -2.5 7.9 213 748 A S T X<5S- 0 0 17 -4,-1.0 3,-2.3 -3,-0.8 -1,-0.2 0.008 105.2-112.9-115.4 26.3 -14.1 -4.1 11.4 214 749 A G T 3 5S- 0 0 15 -3,-0.4 -107,-0.2 1,-0.3 -3,-0.1 0.704 80.7 -45.9 59.0 25.9 -16.6 -1.6 12.8 215 750 A G T 3 - 0 0 66 -8,-0.0 3,-1.7 -2,-0.0 4,-0.2 -0.916 25.2-116.6-108.1 120.7 -9.5 -4.1 17.8 218 753 A P T 3 S+ 0 0 2 0, 0.0 -35,-0.1 0, 0.0 19,-0.0 -0.354 93.5 1.6 -61.3 137.6 -7.5 -6.8 16.2 219 754 A L T > S+ 0 0 29 1,-0.1 3,-2.2 -37,-0.1 -38,-0.1 0.580 82.4 141.9 62.8 17.0 -6.3 -9.5 18.5 220 755 A S T < + 0 0 89 -3,-1.7 -1,-0.1 1,-0.3 -4,-0.0 0.799 66.8 60.8 -57.9 -28.5 -7.9 -7.9 21.5 221 756 A A T 3 S+ 0 0 94 -4,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.624 91.1 86.0 -74.1 -13.4 -8.8 -11.3 22.9 222 757 A L S < S- 0 0 53 -3,-2.2 2,-0.0 4,-0.1 0, 0.0 -0.766 74.1-137.5 -92.3 131.3 -5.1 -12.3 23.1 223 758 A D > - 0 0 92 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.232 39.2 -90.9 -72.1 172.7 -3.0 -11.4 26.1 224 759 A S H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.869 126.3 52.9 -61.2 -39.2 0.5 -10.0 25.6 225 760 A Q H > S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 112.3 46.3 -61.4 -42.0 2.2 -13.4 25.7 226 761 A R H > S+ 0 0 164 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.840 107.9 55.5 -73.0 -31.3 -0.2 -14.7 23.0 227 762 A K H X S+ 0 0 22 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.903 107.7 50.8 -65.1 -39.9 0.2 -11.6 20.9 228 763 A L H X S+ 0 0 53 -4,-2.1 4,-2.2 1,-0.2 3,-0.3 0.928 110.1 48.3 -58.0 -49.1 4.0 -12.3 20.9 229 764 A Q H X S+ 0 0 102 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.809 102.0 64.4 -65.5 -29.7 3.4 -15.9 19.9 230 765 A F H <>S+ 0 0 21 -4,-1.8 5,-2.3 2,-0.2 -1,-0.2 0.921 109.1 40.2 -55.0 -46.2 1.1 -14.7 17.1 231 766 A Y H ><5S+ 0 0 11 -4,-1.4 3,-1.0 -3,-0.3 -2,-0.2 0.860 111.7 55.4 -71.6 -40.9 4.1 -13.0 15.5 232 767 A E H 3<5S+ 0 0 143 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.885 111.4 45.8 -58.5 -37.2 6.5 -15.9 16.3 233 768 A D T 3<5S- 0 0 88 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.463 110.8-126.9 -84.4 -3.1 4.1 -18.2 14.4 234 769 A R T < 5 + 0 0 157 -3,-1.0 -3,-0.2 1,-0.2 -4,-0.1 0.847 46.7 168.3 61.2 38.0 3.8 -15.6 11.5 235 770 A H < - 0 0 99 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.390 24.5-141.7 -74.9 159.6 0.0 -15.4 11.6 236 771 A Q - 0 0 79 -2,-0.1 3,-0.1 1,-0.1 14,-0.1 -0.771 29.2 -92.1-113.2 164.4 -2.0 -12.9 9.7 237 772 A L - 0 0 9 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.438 49.2 -99.1 -71.7 151.2 -5.1 -11.1 10.8 238 773 A P - 0 0 81 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.382 43.7 -98.3 -66.4 150.0 -8.4 -12.7 9.8 239 774 A A - 0 0 66 1,-0.1 4,-0.1 -3,-0.1 2,-0.1 -0.438 42.9-113.4 -63.3 134.8 -10.2 -11.2 6.8 240 775 A P - 0 0 9 0, 0.0 6,-0.1 0, 0.0 -27,-0.1 -0.473 23.4-114.7 -64.4 152.1 -12.9 -8.7 7.9 241 776 A K S S+ 0 0 116 1,-0.2 2,-1.1 -2,-0.1 -28,-0.1 0.861 119.8 60.0 -55.5 -39.5 -16.4 -9.9 7.1 242 777 A A S S+ 0 0 40 -30,-0.5 3,-0.4 1,-0.1 -1,-0.2 -0.822 81.5 178.8 -84.1 95.1 -16.5 -6.9 4.8 243 778 A A > + 0 0 56 -2,-1.1 3,-2.0 1,-0.2 4,-0.5 0.243 39.9 112.7 -92.0 8.2 -13.5 -8.2 2.8 244 779 A E T 3 S+ 0 0 97 1,-0.3 -1,-0.2 2,-0.1 4,-0.2 0.761 90.2 32.9 -60.1 -28.6 -13.0 -5.6 0.0 245 780 A L T 3> S+ 0 0 1 -3,-0.4 4,-2.7 1,-0.1 -1,-0.3 0.241 87.2 106.9-108.5 9.6 -9.7 -4.4 1.4 246 781 A A H <> S+ 0 0 12 -3,-2.0 4,-2.3 1,-0.2 5,-0.2 0.878 79.9 48.9 -60.3 -43.1 -8.5 -7.8 2.8 247 782 A N H > S+ 0 0 135 -4,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.943 112.8 48.7 -62.5 -44.9 -5.9 -8.4 0.0 248 783 A L H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.917 108.8 53.6 -61.0 -42.9 -4.5 -4.8 0.6 249 784 A I H X S+ 0 0 4 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.939 112.2 44.6 -54.3 -51.2 -4.4 -5.4 4.4 250 785 A N H < S+ 0 0 61 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.890 110.5 53.2 -65.9 -37.3 -2.3 -8.6 3.9 251 786 A N H < S+ 0 0 89 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.868 113.6 43.8 -63.4 -38.3 -0.0 -7.0 1.3 252 787 A C H < S+ 0 0 0 -4,-2.3 2,-1.7 1,-0.2 -2,-0.2 0.883 107.1 60.4 -71.3 -40.8 0.8 -4.2 3.8 253 788 A M S < S+ 0 0 1 -4,-2.5 2,-0.5 -5,-0.2 -1,-0.2 -0.365 75.1 151.8 -86.8 59.2 1.2 -6.6 6.7 254 789 A D - 0 0 51 -2,-1.7 6,-0.2 -3,-0.4 5,-0.1 -0.801 47.5-141.2 -95.0 127.1 4.0 -8.4 5.1 255 790 A Y S S+ 0 0 19 -2,-0.5 -1,-0.1 -21,-0.1 3,-0.1 0.707 92.9 71.5 -61.9 -20.4 6.5 -10.0 7.6 256 791 A E S > S- 0 0 77 1,-0.2 3,-1.6 2,-0.0 4,-0.4 -0.880 75.2-157.7 -94.6 108.5 9.3 -9.0 5.2 257 792 A P G > S+ 0 0 33 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.859 88.5 60.4 -56.3 -38.1 9.6 -5.2 5.6 258 793 A D G 3 S+ 0 0 140 1,-0.3 -3,-0.1 -3,-0.1 -2,-0.0 0.669 101.0 54.9 -61.1 -21.1 11.3 -4.8 2.2 259 794 A H G < S+ 0 0 131 -3,-1.6 -1,-0.3 -5,-0.1 -4,-0.1 0.523 78.0 113.2 -94.0 -4.8 8.3 -6.3 0.4 260 795 A R S < S- 0 0 13 -3,-1.4 -8,-0.2 -4,-0.4 -58,-0.1 -0.438 75.4-107.0 -69.9 136.3 5.7 -4.0 1.8 261 796 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.311 29.0-108.2 -67.1 147.3 4.3 -1.8 -1.0 262 797 A S > - 0 0 45 1,-0.1 4,-2.2 4,-0.0 5,-0.1 -0.326 31.4-112.6 -57.7 155.4 5.1 1.9 -1.5 263 798 A F H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.839 120.4 60.0 -64.2 -29.5 2.3 4.3 -0.6 264 799 A R H > S+ 0 0 130 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 107.3 44.6 -57.1 -48.2 2.1 5.2 -4.3 265 800 A A H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.883 112.5 52.6 -64.7 -40.1 1.4 1.6 -5.0 266 801 A I H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.934 109.4 48.5 -59.8 -47.8 -1.1 1.5 -2.2 267 802 A I H X S+ 0 0 39 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.908 109.6 52.1 -61.5 -42.1 -2.9 4.5 -3.6 268 803 A R H X S+ 0 0 156 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.903 110.3 49.5 -59.6 -41.5 -3.0 3.0 -7.1 269 804 A D H < S+ 0 0 67 -4,-2.2 3,-0.4 2,-0.2 4,-0.4 0.921 110.9 48.9 -63.2 -45.5 -4.6 -0.2 -5.6 270 805 A L H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.919 109.0 53.2 -60.9 -45.2 -7.2 1.8 -3.7 271 806 A N H 3< S+ 0 0 97 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.730 100.8 62.6 -61.7 -24.4 -8.1 3.8 -6.8 272 807 A S T 3< S+ 0 0 90 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.580 91.4 88.8 -78.3 -7.6 -8.6 0.5 -8.7 273 808 A L < 0 0 61 -3,-1.6 -28,-0.0 -4,-0.4 -3,-0.0 -0.220 360.0 360.0 -88.3 177.0 -11.5 -0.5 -6.4 274 809 A F 0 0 106 -2,-0.0 -3,-0.1 0, 0.0 -161,-0.1 0.583 360.0 360.0 -10.2 360.0 -15.3 0.2 -6.6