==== 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 4FVR . 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) . 13332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 71.2 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 . 45 16.4 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 . 24 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 29.6 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 1 1 0 0 0 0 1 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 0 0 2 0 0 1 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 1 536 A V 0 0 155 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 145.4 -9.6 -25.6 17.7 2 537 A F - 0 0 26 1,-0.1 2,-0.1 77,-0.0 77,-0.1 -0.476 360.0-100.3 -69.4 142.1 -6.0 -25.8 18.7 3 538 A H - 0 0 116 75,-0.3 77,-2.0 -2,-0.2 2,-0.4 -0.417 43.5-122.3 -52.6 128.8 -4.2 -29.0 19.4 4 539 A K B -a 80 0A 117 75,-0.2 2,-0.4 -2,-0.1 77,-0.2 -0.713 24.1-158.1 -87.6 131.8 -4.1 -29.4 23.2 5 540 A I - 0 0 8 75,-2.8 78,-0.3 -2,-0.4 77,-0.1 -0.932 20.1-116.2-115.0 129.6 -0.6 -29.9 24.7 6 541 A R > - 0 0 130 -2,-0.4 3,-1.5 1,-0.1 4,-0.2 -0.367 12.7-132.3 -63.9 137.3 -0.0 -31.5 28.2 7 542 A N G > S+ 0 0 62 76,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.878 107.7 62.7 -47.0 -42.1 1.4 -29.3 30.9 8 543 A E G 3 S+ 0 0 126 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.695 98.0 54.9 -57.9 -29.1 3.8 -32.2 31.6 9 544 A D G < S+ 0 0 37 -3,-1.5 21,-3.0 20,-0.1 2,-0.5 0.345 93.0 81.7 -98.8 4.9 5.4 -31.9 28.1 10 545 A L E < -B 29 0A 13 -3,-1.5 2,-0.5 -4,-0.2 19,-0.2 -0.938 55.3-168.2-111.7 129.0 6.4 -28.3 28.3 11 546 A I E -B 28 0A 92 17,-2.7 17,-2.0 -2,-0.5 2,-0.5 -0.982 15.1-143.3-112.1 128.4 9.5 -27.0 30.1 12 547 A F E +B 27 0A 64 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.803 29.3 162.3 -87.3 124.5 9.9 -23.3 30.7 13 548 A N E + 0 0 78 13,-2.9 14,-0.1 -2,-0.5 -1,-0.1 0.083 45.6 7.5-112.0-128.6 13.4 -21.9 30.3 14 549 A E E - 0 0 106 11,-0.1 12,-3.0 1,-0.1 2,-0.3 -0.148 67.5-120.4 -68.0 142.8 14.6 -18.3 29.9 15 550 A S E -B 25 0A 77 10,-0.2 10,-0.3 1,-0.1 -1,-0.1 -0.621 18.6-171.4 -68.7 131.8 12.3 -15.3 30.1 16 551 A L E - 0 0 92 8,-2.7 2,-0.2 1,-0.4 9,-0.2 0.175 52.6-107.0-107.5 12.0 12.2 -13.2 26.9 17 552 A G E -B 24 0A 33 7,-0.7 7,-3.2 2,-0.0 -1,-0.4 -0.624 44.3 -49.4 108.4-154.8 10.2 -10.5 28.8 18 553 A Q E -B 23 0A 88 5,-0.2 5,-0.2 -2,-0.2 2,-0.1 -0.938 40.0-175.3-128.0 138.6 6.7 -9.3 28.8 19 554 A G E > -B 22 0A 32 3,-1.4 2,-1.2 -2,-0.4 3,-0.6 -0.170 61.9 -34.9-107.4-149.0 4.3 -8.3 26.1 20 555 A T T 3 S- 0 0 33 1,-0.3 147,-0.3 -2,-0.1 3,-0.1 -0.635 127.9 -30.8 -80.4 99.5 0.8 -6.9 26.3 21 556 A F T 3 S+ 0 0 75 -2,-1.2 28,-0.4 1,-0.2 2,-0.3 0.802 123.4 108.9 56.7 34.1 -0.6 -8.7 29.3 22 557 A T E < -B 19 0A 19 -3,-0.6 -3,-1.4 26,-0.1 2,-0.4 -0.947 61.0-145.0-131.6 152.2 1.7 -11.6 28.4 23 558 A K E -BC 18 47A 36 24,-1.9 24,-3.0 -2,-0.3 2,-0.4 -0.981 23.0-151.4-111.5 132.7 4.8 -13.3 29.8 24 559 A I E +BC 17 46A 23 -7,-3.2 -8,-2.7 -2,-0.4 -7,-0.7 -0.896 18.9 171.1-110.9 132.9 7.1 -14.7 27.1 25 560 A F E -BC 15 45A 56 20,-2.4 20,-3.1 -2,-0.4 2,-0.4 -0.985 32.5-128.3-134.3 147.1 9.5 -17.6 27.6 26 561 A K E + C 0 44A 43 -12,-3.0 -13,-2.9 -2,-0.3 2,-0.3 -0.747 47.2 158.3 -81.1 141.0 11.7 -19.9 25.6 27 562 A G E -BC 12 43A 1 16,-2.6 16,-3.0 -2,-0.4 2,-0.4 -0.901 38.7-110.2-152.0-177.1 11.0 -23.5 26.3 28 563 A V E -BC 11 42A 33 -17,-2.0 -17,-2.7 -2,-0.3 2,-0.5 -0.991 20.3-155.2-127.0 133.2 11.1 -27.2 25.2 29 564 A R E -BC 10 41A 21 12,-2.9 12,-2.8 -2,-0.4 2,-0.5 -0.952 8.6-146.6-107.4 126.0 8.1 -29.3 24.1 30 565 A R E + C 0 40A 37 -21,-3.0 2,-0.3 -2,-0.5 10,-0.2 -0.805 36.9 165.2 -83.1 122.9 8.3 -33.1 24.4 31 566 A E E - C 0 39A 40 8,-2.9 8,-3.1 -2,-0.5 2,-0.7 -0.988 47.7-125.9-143.2 153.2 6.3 -34.5 21.6 32 567 A V E - C 0 38A 103 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.891 47.3-175.8 -89.1 112.9 5.4 -37.6 19.5 33 568 A G > - 0 0 22 4,-3.6 3,-1.4 -2,-0.7 4,-0.1 -0.006 37.3 -32.0 -93.6-155.9 6.2 -36.3 16.0 34 569 A D G > S+ 0 0 124 1,-0.2 3,-2.1 2,-0.2 -1,-0.3 -0.224 129.9 17.3 -53.9 148.8 5.8 -37.8 12.5 35 570 A Y G 3 S- 0 0 232 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.630 128.3 -74.8 60.9 20.2 6.3 -41.6 12.4 36 571 A G G < S+ 0 0 55 -3,-1.4 2,-0.3 1,-0.2 -1,-0.3 0.645 88.3 155.6 66.2 16.5 5.8 -41.9 16.2 37 572 A Q < - 0 0 112 -3,-2.1 -4,-3.6 -5,-0.1 2,-0.3 -0.584 43.7-124.0 -79.6 132.1 9.3 -40.4 16.6 38 573 A L E -C 32 0A 131 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.576 34.6-176.9 -78.2 134.5 9.9 -38.7 20.0 39 574 A H E -C 31 0A 84 -8,-3.1 -8,-2.9 -2,-0.3 2,-0.6 -0.974 28.5-153.5-130.6 148.2 11.1 -35.1 19.8 40 575 A E E -C 30 0A 154 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.979 31.8-166.9-116.8 110.9 12.2 -32.4 22.1 41 576 A T E -C 29 0A 31 -12,-2.8 -12,-2.9 -2,-0.6 2,-0.2 -0.868 23.9-120.9-110.1 128.5 11.4 -29.2 20.3 42 577 A E E +C 28 0A 111 -2,-0.4 51,-0.7 -14,-0.2 2,-0.3 -0.497 45.1 178.9 -54.5 126.1 12.5 -25.6 21.0 43 578 A V E -CD 27 92A 0 -16,-3.0 -16,-2.6 -2,-0.2 2,-0.5 -0.922 33.4-128.9-135.1 161.8 9.3 -23.5 21.5 44 579 A L E -CD 26 91A 18 47,-2.7 47,-3.1 -2,-0.3 2,-0.5 -0.961 26.8-158.3-107.0 126.3 8.1 -20.0 22.3 45 580 A L E -CD 25 90A 0 -20,-3.1 -20,-2.4 -2,-0.5 2,-0.6 -0.944 6.5-165.2-112.2 122.8 5.6 -19.9 25.1 46 581 A K E -CD 24 89A 30 43,-2.5 43,-2.4 -2,-0.5 2,-0.5 -0.953 15.0-156.5-109.9 119.9 3.2 -17.0 25.5 47 582 A V E -CD 23 88A 11 -24,-3.0 -24,-1.9 -2,-0.6 2,-0.4 -0.855 12.8-176.2-110.8 123.8 1.6 -17.0 28.9 48 583 A L E - D 0 87A 1 39,-3.2 39,-2.7 -2,-0.5 2,-0.4 -0.919 31.8-112.9-112.0 144.3 -1.7 -15.3 29.8 49 584 A D E > - D 0 86A 78 -28,-0.4 3,-1.4 -2,-0.4 7,-0.3 -0.623 14.6-141.8 -73.5 125.2 -3.1 -15.2 33.4 50 585 A K T 3 S+ 0 0 78 35,-0.5 -1,-0.1 -2,-0.4 6,-0.1 0.872 99.6 67.5 -52.1 -37.3 -6.3 -17.3 33.8 51 586 A A T 3 S+ 0 0 81 1,-0.2 2,-1.3 2,-0.1 -1,-0.2 0.764 88.3 67.5 -60.5 -28.0 -7.7 -14.5 36.1 52 587 A H <> + 0 0 75 -3,-1.4 4,-2.2 1,-0.2 5,-0.2 -0.626 66.3 166.4 -89.0 76.3 -7.8 -12.1 33.0 53 588 A R H > + 0 0 148 -2,-1.3 4,-2.3 1,-0.2 5,-0.2 0.885 69.3 49.0 -64.6 -42.6 -10.6 -14.1 31.3 54 589 A N H > S+ 0 0 106 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.872 111.6 50.4 -65.2 -39.7 -11.5 -11.4 28.7 55 590 A Y H > S+ 0 0 46 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.930 113.5 42.3 -67.3 -48.3 -7.9 -10.9 27.7 56 591 A S H X S+ 0 0 8 -4,-2.2 4,-3.2 -7,-0.3 5,-0.4 0.899 111.7 54.6 -71.7 -35.9 -7.0 -14.5 27.1 57 592 A E H X S+ 0 0 118 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.932 114.8 41.8 -57.6 -41.5 -10.3 -15.3 25.4 58 593 A S H X S+ 0 0 21 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.965 116.1 49.2 -70.8 -48.5 -9.5 -12.4 23.0 59 594 A F H X S+ 0 0 3 -4,-3.3 4,-2.2 1,-0.2 107,-0.3 0.901 116.2 41.4 -52.4 -49.7 -5.8 -13.4 22.7 60 595 A F H X S+ 0 0 17 -4,-3.2 4,-2.3 2,-0.2 -1,-0.2 0.868 113.0 53.5 -78.7 -33.4 -6.6 -17.1 22.0 61 596 A E H X S+ 0 0 54 -4,-2.2 4,-2.9 -5,-0.4 5,-0.2 0.937 111.3 46.0 -58.1 -52.1 -9.5 -16.4 19.7 62 597 A A H X S+ 0 0 25 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.950 112.4 50.1 -59.6 -48.3 -7.3 -14.1 17.6 63 598 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.921 114.1 47.1 -55.7 -41.7 -4.4 -16.6 17.5 64 599 A S H X S+ 0 0 20 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.917 107.2 53.6 -69.0 -48.7 -6.9 -19.3 16.4 65 600 A M H < S+ 0 0 91 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.899 115.1 42.0 -54.3 -41.7 -8.6 -17.4 13.7 66 601 A M H >< S+ 0 0 6 -4,-2.1 3,-1.6 -5,-0.2 -1,-0.2 0.814 107.9 59.3 -75.6 -32.0 -5.3 -16.6 12.1 67 602 A S H 3< S+ 0 0 41 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.751 93.0 67.5 -70.9 -20.9 -3.9 -20.2 12.6 68 603 A K T 3< S+ 0 0 125 -4,-1.6 2,-0.6 1,-0.2 -1,-0.3 0.543 93.6 68.2 -65.7 -9.8 -6.8 -21.5 10.5 69 604 A L S < S- 0 0 38 -3,-1.6 -1,-0.2 -5,-0.1 2,-0.1 -0.761 79.2-158.5-117.7 82.3 -5.0 -19.7 7.6 70 605 A S + 0 0 111 -2,-0.6 2,-0.3 -3,-0.1 5,-0.1 -0.370 24.5 156.5 -63.0 133.1 -1.8 -21.5 6.9 71 606 A H > - 0 0 46 3,-0.4 3,-2.1 -2,-0.1 -2,-0.1 -0.943 51.9-121.1-159.6 142.0 0.8 -19.3 5.1 72 607 A K T 3 S+ 0 0 143 -2,-0.3 4,-0.1 1,-0.3 -2,-0.0 0.686 114.7 45.3 -55.1 -25.3 4.5 -19.2 4.7 73 608 A H T 3 S+ 0 0 8 88,-0.1 89,-2.7 2,-0.1 2,-0.5 0.181 95.8 86.4-106.9 8.3 4.7 -15.7 6.2 74 609 A L B < S-f 162 0B 9 -3,-2.1 -3,-0.4 87,-0.2 89,-0.2 -0.970 87.5-106.4-109.4 132.6 2.4 -16.3 9.1 75 610 A V - 0 0 7 87,-2.5 2,-0.5 -2,-0.5 -2,-0.1 -0.114 32.6-119.6 -52.9 140.7 3.9 -17.7 12.4 76 611 A L - 0 0 87 -4,-0.1 16,-2.8 -6,-0.1 2,-0.5 -0.764 20.3-161.1 -88.3 125.6 3.1 -21.3 13.2 77 612 A N E - E 0 91A 14 -2,-0.5 14,-0.3 14,-0.2 3,-0.1 -0.927 4.1-165.0 -98.3 124.4 1.3 -22.1 16.4 78 613 A Y E - 0 0 66 12,-2.2 2,-0.3 -2,-0.5 -75,-0.3 0.805 55.7 -79.7 -78.8 -32.8 1.7 -25.7 17.5 79 614 A G E - E 0 90A 0 11,-1.6 11,-3.3 -77,-0.1 2,-0.3 -0.983 46.0 -76.1 161.2-166.8 -1.1 -25.5 20.0 80 615 A V E -aE 4 89A 0 -77,-2.0 -75,-2.8 -2,-0.3 2,-0.4 -0.896 15.3-152.9-127.0 155.3 -2.3 -24.5 23.5 81 616 A C E + E 0 88A 2 7,-2.5 7,-2.2 -2,-0.3 -75,-0.1 -0.938 27.5 153.3-128.7 108.9 -1.9 -25.6 27.1 82 617 A F + 0 0 75 -2,-0.4 2,-1.4 5,-0.2 -1,-0.1 0.423 52.8 92.8-107.7 -10.2 -4.8 -24.6 29.4 83 618 A C S S+ 0 0 73 -78,-0.3 -76,-0.3 2,-0.0 2,-0.3 -0.733 81.0 53.9 -86.2 85.2 -4.4 -27.4 31.9 84 619 A G S S- 0 0 30 -2,-1.4 -2,-0.0 -78,-0.1 3,-0.0 -0.942 111.0 -62.6-177.2-159.9 -2.1 -25.6 34.3 85 620 A D S S+ 0 0 139 -2,-0.3 -35,-0.5 -35,-0.0 2,-0.2 0.719 115.4 27.9 -75.1 -25.3 -1.9 -22.5 36.4 86 621 A E E S-D 49 0A 70 -37,-0.1 2,-0.6 -36,-0.1 -37,-0.2 -0.740 81.6-103.1-133.1 173.6 -2.0 -20.4 33.2 87 622 A N E -D 48 0A 17 -39,-2.7 -39,-3.2 -2,-0.2 2,-0.5 -0.930 42.8-170.8-101.5 121.1 -3.1 -20.2 29.6 88 623 A I E -DE 47 81A 2 -7,-2.2 -7,-2.5 -2,-0.6 2,-0.5 -0.946 20.6-155.0-123.0 128.1 -0.2 -20.8 27.2 89 624 A L E -DE 46 80A 0 -43,-2.4 -43,-2.5 -2,-0.5 2,-0.6 -0.888 17.6-150.1 -91.3 126.0 0.2 -20.5 23.4 90 625 A V E +DE 45 79A 0 -11,-3.3 -12,-2.2 -2,-0.5 -11,-1.6 -0.900 26.8 172.1-101.7 115.1 2.9 -22.8 22.1 91 626 A Q E -DE 44 77A 5 -47,-3.1 -47,-2.7 -2,-0.6 -14,-0.2 -0.826 39.0 -85.9-124.0 156.6 4.5 -21.3 19.1 92 627 A E E -D 43 0A 27 -16,-2.8 2,-0.6 -2,-0.3 -49,-0.2 -0.314 44.2-121.9 -56.0 140.9 7.5 -21.9 16.8 93 628 A F - 0 0 53 -51,-0.7 2,-0.6 -66,-0.1 -1,-0.1 -0.808 22.1-143.7 -89.9 123.1 10.7 -20.4 18.1 94 629 A V > - 0 0 10 -2,-0.6 3,-2.0 1,-0.1 52,-0.2 -0.796 6.8-142.3 -94.5 119.3 12.1 -18.0 15.5 95 630 A K T 3 S+ 0 0 155 -2,-0.6 52,-0.2 1,-0.3 -1,-0.1 0.730 94.2 35.3 -57.2 -38.8 15.9 -18.2 15.4 96 631 A F T 3 S- 0 0 58 50,-1.7 -1,-0.3 1,-0.3 51,-0.1 0.332 96.6-153.2-103.9 9.5 16.7 -14.5 14.8 97 632 A G < + 0 0 27 -3,-2.0 49,-2.9 49,-0.2 -1,-0.3 -0.145 46.6 9.1 60.7-146.7 13.9 -13.0 16.8 98 633 A S B > -G 145 0B 31 47,-0.2 4,-1.8 1,-0.1 47,-0.2 -0.346 55.1-137.3 -81.2 146.2 12.2 -9.6 16.3 99 634 A L H > S+ 0 0 0 45,-2.5 4,-3.2 42,-1.1 5,-0.2 0.906 101.7 59.5 -66.9 -37.5 12.9 -7.4 13.4 100 635 A D H > S+ 0 0 22 41,-0.4 4,-1.7 44,-0.2 -1,-0.2 0.915 109.1 42.9 -63.2 -42.3 13.1 -4.2 15.5 101 636 A T H > S+ 0 0 89 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.933 114.8 51.3 -64.0 -45.1 16.0 -5.6 17.6 102 637 A Y H X S+ 0 0 27 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.882 107.0 52.5 -62.1 -42.4 17.7 -6.9 14.4 103 638 A L H < S+ 0 0 2 -4,-3.2 4,-0.3 2,-0.2 -1,-0.2 0.888 113.5 44.9 -60.1 -42.5 17.4 -3.5 12.7 104 639 A K H >< S+ 0 0 58 -4,-1.7 3,-1.3 -5,-0.2 4,-0.3 0.977 115.2 46.0 -65.1 -54.4 19.0 -1.9 15.6 105 640 A K H 3< S+ 0 0 81 -4,-3.2 -2,-0.2 1,-0.3 3,-0.2 0.799 126.1 30.2 -62.8 -31.4 21.8 -4.5 16.0 106 641 A N T >X S+ 0 0 48 -4,-2.5 3,-2.0 -5,-0.2 4,-1.6 0.149 78.1 126.0-114.6 20.2 22.6 -4.6 12.3 107 642 A K T <4 S+ 0 0 51 -3,-1.3 3,-0.3 -4,-0.3 -1,-0.1 0.860 72.7 55.9 -44.8 -47.3 21.7 -1.0 11.3 108 643 A N T 34 S+ 0 0 107 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.747 114.2 39.0 -60.1 -26.2 25.1 -0.4 9.7 109 644 A C T <4 S+ 0 0 99 -3,-2.0 2,-0.3 2,-0.1 -1,-0.2 0.687 88.4 99.2-101.1 -25.7 24.8 -3.4 7.4 110 645 A I < - 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0 0 39 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.283 29.9-116.0 -62.8 152.3 -7.6 -0.4 27.9 174 709 A K H 3> S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.833 114.3 62.1 -55.9 -35.7 -7.5 3.1 26.3 175 710 A D H 3> S+ 0 0 111 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.825 104.0 45.6 -64.3 -38.1 -4.2 3.7 28.1 176 711 A I H <> S+ 0 0 36 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.923 110.9 55.5 -67.8 -43.5 -2.4 0.8 26.1 177 712 A L H < S+ 0 0 5 -4,-1.8 3,-0.3 1,-0.2 7,-0.3 0.914 107.8 47.3 -52.6 -50.3 -4.0 2.1 22.9 178 713 A Q H >< S+ 0 0 31 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.843 107.1 57.6 -64.5 -33.7 -2.6 5.6 23.3 179 714 A E H 3< S+ 0 0 115 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.867 101.8 57.4 -63.8 -34.8 0.8 4.1 24.1 180 715 A R T >X S+ 0 0 31 -4,-1.8 4,-2.3 -3,-0.3 3,-2.0 0.244 84.1 150.2 -85.1 11.4 0.7 2.3 20.7 181 716 A I T <4 + 0 0 0 -3,-1.4 47,-0.1 1,-0.3 46,-0.1 -0.684 58.8 32.7 -66.8 135.6 0.3 5.5 18.8 182 717 A P T 34 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 24,-0.2 -0.859 119.7 51.7-101.6 24.2 1.3 5.8 15.9 183 718 A W T <4 S+ 0 0 38 -3,-2.0 -2,-0.2 35,-0.1 20,-0.2 0.855 99.9 69.7 -79.4 -43.1 0.7 2.1 15.0 184 719 A V S < S- 0 0 6 -4,-2.3 5,-0.1 -7,-0.3 16,-0.0 -0.691 98.1-121.2 -73.7 121.8 -2.9 2.3 16.2 185 720 A P >> - 0 0 1 0, 0.0 4,-1.5 0, 0.0 3,-1.3 -0.271 17.6-109.0 -68.2 158.4 -4.6 4.5 13.6 186 721 A P H 3> S+ 0 0 20 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.823 116.6 58.0 -56.9 -35.5 -6.3 7.7 14.5 187 722 A E H 3> S+ 0 0 13 1,-0.2 4,-1.6 2,-0.2 7,-0.3 0.822 106.3 49.6 -66.6 -28.1 -9.8 6.3 13.8 188 723 A C H <4 S+ 0 0 2 -3,-1.3 -1,-0.2 2,-0.2 6,-0.1 0.821 105.9 56.6 -81.1 -28.8 -9.2 3.6 16.4 189 724 A I H < S+ 0 0 32 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.838 110.3 43.9 -66.4 -36.4 -8.0 6.1 19.0 190 725 A E H < S- 0 0 156 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.825 142.0 -3.1 -78.6 -33.3 -11.3 8.0 18.7 191 726 A N >< - 0 0 78 -4,-1.6 3,-3.0 -5,-0.2 -1,-0.3 -0.742 58.8-155.9-156.9 111.4 -13.3 4.8 18.8 192 727 A P G > S+ 0 0 43 0, 0.0 3,-1.4 0, 0.0 -22,-0.1 0.773 94.7 72.5 -64.1 -20.6 -11.6 1.3 18.8 193 728 A K G 3 S+ 0 0 74 1,-0.3 -5,-0.1 -5,-0.1 -23,-0.1 0.519 77.9 78.3 -63.9 -5.8 -14.8 -0.0 17.3 194 729 A N G < + 0 0 69 -3,-3.0 -1,-0.3 -7,-0.3 5,-0.2 0.310 66.1 137.9 -82.2 10.6 -13.6 1.7 14.1 195 730 A L < + 0 0 42 -3,-1.4 2,-0.3 -7,-0.1 -60,-0.0 -0.339 25.3 148.4 -62.1 134.2 -11.3 -1.3 13.7 196 731 A N >> - 0 0 86 1,-0.0 3,-1.5 -2,-0.0 4,-0.6 -0.950 66.4 -88.7-162.0 159.7 -11.3 -2.2 10.1 197 732 A L H >> S+ 0 0 44 -2,-0.3 3,-0.9 1,-0.3 4,-0.7 0.830 123.6 67.3 -49.2 -35.0 -9.1 -3.8 7.4 198 733 A A H >> S+ 0 0 8 1,-0.2 4,-1.5 2,-0.2 3,-0.9 0.843 86.7 70.2 -58.5 -30.5 -8.0 -0.1 6.8 199 734 A T H <> S+ 0 0 3 -3,-1.5 4,-2.2 1,-0.3 -1,-0.2 0.882 95.3 51.3 -46.8 -49.0 -6.4 -0.2 10.3 200 735 A D H X S+ 0 0 1 -4,-1.5 4,-1.8 1,-0.2 3,-0.8 0.985 113.9 47.6 -65.4 -55.1 -1.9 2.5 8.5 203 738 A S H 3X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.3 -1,-0.2 0.791 106.3 59.1 -57.3 -34.1 0.1 0.2 10.9 204 739 A F H 3X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.3 0.904 104.8 51.0 -61.3 -42.6 1.9 -1.2 7.8 205 740 A G H <>S+ 0 0 1 -4,-2.4 3,-1.4 1,-0.2 5,-1.1 0.902 107.5 56.8 -57.4 -45.1 10.5 1.5 11.5 211 746 A I H 3<5S+ 0 0 3 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.871 113.2 41.1 -57.9 -35.5 12.1 -0.7 8.8 212 747 A C H 3<5S+ 0 0 13 -4,-2.0 30,-0.5 -3,-0.2 -1,-0.3 0.426 106.7 66.0 -86.5 -3.7 13.8 2.4 7.4 213 748 A S T X<5S- 0 0 17 -3,-1.4 3,-2.4 -4,-0.5 -1,-0.2 0.062 103.1-114.9-117.0 26.0 14.7 3.9 10.8 214 749 A G T 3 5S- 0 0 28 -3,-0.5 -107,-0.2 1,-0.3 -3,-0.1 0.762 80.4 -44.3 55.8 34.3 17.3 1.4 12.2 215 750 A G T 3 - 0 0 64 -3,-0.1 3,-1.7 -2,-0.0 4,-0.2 -0.907 24.5-114.3-102.4 125.3 10.4 3.9 17.4 218 753 A P T 3 S+ 0 0 2 0, 0.0 -35,-0.1 0, 0.0 -8,-0.0 -0.309 94.6 1.6 -62.3 136.5 8.4 6.7 15.9 219 754 A L T > S+ 0 0 27 1,-0.1 3,-1.7 -37,-0.1 8,-0.1 0.652 82.2 140.5 64.4 20.1 7.2 9.4 18.4 220 755 A S T < + 0 0 93 -3,-1.7 -1,-0.1 1,-0.3 -4,-0.0 0.849 67.4 61.8 -61.0 -30.8 9.0 7.6 21.3 221 756 A A T 3 S+ 0 0 97 -4,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.649 92.6 83.3 -67.3 -16.6 10.1 11.1 22.6 222 757 A L S < S- 0 0 51 -3,-1.7 2,-0.0 4,-0.1 0, 0.0 -0.784 74.8-135.8 -97.4 132.8 6.3 12.0 23.0 223 758 A D > - 0 0 91 -2,-0.4 4,-2.6 1,-0.1 3,-0.3 -0.234 39.0 -90.6 -73.7 170.4 4.3 11.1 26.1 224 759 A S H > S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.811 126.2 51.1 -56.6 -39.8 0.8 9.7 25.8 225 760 A Q H > S+ 0 0 130 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 112.5 45.8 -63.0 -45.5 -0.9 13.1 25.9 226 761 A R H > S+ 0 0 164 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.857 109.1 55.5 -69.9 -33.3 1.3 14.5 23.2 227 762 A K H X S+ 0 0 20 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.930 108.8 48.5 -59.6 -45.6 0.8 11.4 21.0 228 763 A L H X S+ 0 0 53 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.907 111.6 49.2 -58.0 -46.1 -3.0 12.0 21.3 229 764 A Q H X S+ 0 0 107 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.822 102.5 62.8 -65.7 -31.7 -2.5 15.6 20.3 230 765 A F H <>S+ 0 0 22 -4,-2.1 5,-2.5 2,-0.2 -1,-0.2 0.929 110.4 38.9 -57.7 -45.3 -0.2 14.5 17.4 231 766 A Y H ><5S+ 0 0 14 -4,-1.6 3,-1.9 3,-0.2 -2,-0.2 0.900 111.9 57.3 -68.7 -43.2 -3.3 12.8 15.8 232 767 A E H 3<5S+ 0 0 69 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.885 111.6 43.3 -59.0 -36.2 -5.7 15.5 16.9 233 768 A D T 3<5S- 0 0 91 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.265 113.6-123.5 -91.4 8.3 -3.5 18.0 14.9 234 769 A R T < 5 + 0 0 168 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.846 47.8 169.1 55.5 42.8 -3.2 15.5 12.0 235 770 A H < - 0 0 106 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.1 -0.402 22.8-145.1 -76.4 158.7 0.6 15.3 11.9 236 771 A Q - 0 0 76 -2,-0.1 3,-0.1 1,-0.0 14,-0.1 -0.792 28.6 -92.6-111.2 164.6 2.5 12.7 9.9 237 772 A L - 0 0 11 -2,-0.3 2,-0.1 1,-0.1 16,-0.0 -0.447 47.3 -98.9 -68.0 149.7 5.8 11.0 10.7 238 773 A P - 0 0 83 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.419 43.7 -99.8 -63.5 147.7 9.1 12.6 9.5 239 774 A A - 0 0 66 1,-0.1 4,-0.1 -2,-0.1 2,-0.0 -0.466 44.0-111.8 -60.2 134.5 10.6 11.0 6.4 240 775 A P - 0 0 9 0, 0.0 6,-0.1 0, 0.0 -27,-0.1 -0.391 22.7-113.0 -63.9 152.1 13.4 8.6 7.4 241 776 A K S S+ 0 0 115 1,-0.2 2,-1.2 -29,-0.1 -28,-0.1 0.929 120.7 61.5 -50.1 -49.6 16.9 9.7 6.4 242 777 A A S S+ 0 0 38 -30,-0.5 3,-0.5 1,-0.1 -1,-0.2 -0.732 80.2 179.3 -73.2 94.2 16.7 6.7 4.1 243 778 A A > + 0 0 55 -2,-1.2 3,-2.2 1,-0.2 4,-0.4 0.340 42.2 110.5 -89.5 5.0 13.8 8.2 2.2 244 779 A E T 3 S+ 0 0 88 1,-0.3 -1,-0.2 2,-0.1 4,-0.2 0.775 90.0 32.7 -59.4 -29.9 13.1 5.5 -0.4 245 780 A L T 3> S+ 0 0 3 -3,-0.5 4,-3.0 1,-0.1 -1,-0.3 0.245 86.3 108.8-106.7 10.0 9.8 4.5 1.1 246 781 A A H <> S+ 0 0 12 -3,-2.2 4,-2.3 1,-0.2 5,-0.2 0.908 80.0 47.5 -57.9 -46.7 8.8 7.9 2.4 247 782 A N H > S+ 0 0 132 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.913 113.3 48.3 -60.4 -44.8 6.0 8.4 -0.1 248 783 A L H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.930 109.5 53.5 -63.0 -41.8 4.6 4.8 0.5 249 784 A I H X S+ 0 0 5 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.927 112.9 43.3 -56.8 -50.1 4.7 5.4 4.3 250 785 A N H < S+ 0 0 61 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.898 112.6 52.2 -66.4 -39.5 2.6 8.7 3.9 251 786 A N H < S+ 0 0 83 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.883 114.0 43.9 -62.4 -38.8 0.2 7.1 1.4 252 787 A C H < S+ 0 0 0 -4,-2.6 2,-1.7 1,-0.2 -2,-0.2 0.897 107.4 59.7 -70.9 -44.9 -0.4 4.2 3.8 253 788 A M S < S+ 0 0 2 -4,-2.5 2,-0.5 -5,-0.2 -1,-0.2 -0.428 75.5 153.3 -84.8 61.4 -0.7 6.5 6.9 254 789 A D - 0 0 50 -2,-1.7 6,-0.2 -3,-0.4 5,-0.1 -0.815 47.7-140.5 -94.9 126.6 -3.6 8.4 5.4 255 790 A Y S S+ 0 0 18 -2,-0.5 -1,-0.1 1,-0.1 3,-0.1 0.733 93.2 74.0 -59.0 -21.4 -6.0 10.0 8.0 256 791 A E S > S- 0 0 75 1,-0.2 3,-1.8 2,-0.0 4,-0.4 -0.848 73.0-159.5 -93.8 106.9 -8.8 9.0 5.7 257 792 A P G > S+ 0 0 33 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.830 88.9 59.7 -52.3 -39.5 -9.2 5.2 6.1 258 793 A D G 3 S+ 0 0 141 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.678 101.8 54.0 -61.5 -23.3 -11.0 4.9 2.7 259 794 A H G < S+ 0 0 131 -3,-1.8 -1,-0.2 -5,-0.1 -4,-0.1 0.480 77.8 112.5 -96.7 -4.9 -8.1 6.4 0.8 260 795 A R S < S- 0 0 13 -3,-1.1 -8,-0.1 -4,-0.4 2,-0.1 -0.491 73.7-110.9 -69.8 136.9 -5.5 4.0 2.1 261 796 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.350 27.3-105.1 -74.7 149.7 -4.2 1.7 -0.8 262 797 A S > - 0 0 49 1,-0.1 4,-2.2 -2,-0.1 5,-0.1 -0.242 30.2-113.6 -56.7 157.2 -4.9 -2.0 -1.2 263 798 A F H > S+ 0 0 3 2,-0.2 4,-3.0 1,-0.2 -136,-0.2 0.844 118.4 58.7 -67.2 -30.1 -2.1 -4.4 -0.4 264 799 A R H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.935 109.2 44.8 -57.3 -47.6 -2.1 -5.4 -4.1 265 800 A A H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.880 111.4 53.2 -63.4 -41.0 -1.4 -1.7 -5.0 266 801 A I H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.948 109.1 49.4 -60.2 -49.0 1.2 -1.6 -2.2 267 802 A I H X S+ 0 0 7 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.897 110.1 49.9 -55.3 -45.6 3.0 -4.6 -3.7 268 803 A R H X S+ 0 0 181 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.917 111.3 50.1 -63.4 -42.9 3.0 -3.1 -7.2 269 804 A D H X S+ 0 0 65 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.917 112.1 47.1 -56.7 -47.3 4.5 0.1 -5.7 270 805 A L H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.934 111.1 51.3 -63.2 -47.2 7.2 -1.8 -3.9 271 806 A N H >< S+ 0 0 80 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.764 106.6 55.5 -54.9 -32.9 8.0 -3.9 -7.0 272 807 A S H 3< S+ 0 0 85 -4,-1.4 2,-0.6 1,-0.2 -1,-0.2 0.766 87.7 77.7 -78.4 -22.6 8.3 -0.7 -9.0 273 808 A L T << 0 0 69 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.1 0.062 360.0 360.0 -77.4 30.9 10.9 0.8 -6.7 274 809 A F < 0 0 116 -2,-0.6 -1,-0.3 -3,-0.5 -2,-0.1 0.269 360.0 360.0-111.2 360.0 13.6 -1.4 -8.2