==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-APR-13 4BKI . COMPND 2 MOLECULE: EPITHELIAL DISCOIDIN DOMAIN-CONTAINING RECEPTOR 1 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.CANNING,J.M.ELKINS,S.GOUBIN,P.MAHAJAN,T.KROJER,J.A.NEWMAN, . 295 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 21 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 1 0 2 0 0 1 1 0 0 1 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 1 1 0 1 1 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 . 1 0 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 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 1 600 A M 0 0 101 0, 0.0 74,-0.1 0, 0.0 73,-0.0 0.000 360.0 360.0 360.0 126.9 4.4 46.2 22.4 2 601 A P - 0 0 49 0, 0.0 76,-0.0 0, 0.0 88,-0.0 -0.330 360.0-125.0 -55.4 146.4 7.6 45.0 24.1 3 602 A R S S+ 0 0 112 1,-0.1 2,-0.3 2,-0.0 37,-0.0 0.897 90.6 35.8 -60.0 -39.2 9.6 47.8 25.8 4 603 A V S S- 0 0 75 36,-0.1 87,-0.4 89,-0.0 2,-0.2 -0.870 81.4-117.5-128.0 142.8 12.8 46.9 23.9 5 604 A D - 0 0 34 -2,-0.3 87,-0.2 85,-0.1 -2,-0.0 -0.502 31.0-114.1 -72.7 143.8 13.6 45.7 20.4 6 605 A F - 0 0 2 85,-3.1 2,-0.6 -2,-0.2 84,-0.1 -0.621 48.5-102.5 -62.3 139.0 15.3 42.4 19.9 7 606 A P > - 0 0 43 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.652 25.7-156.6 -80.6 114.4 18.8 43.5 18.4 8 607 A R G > S+ 0 0 72 -2,-0.6 3,-1.8 1,-0.3 84,-0.0 0.732 88.6 73.4 -57.6 -27.8 18.9 43.0 14.6 9 608 A S G 3 S+ 0 0 94 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.774 92.8 57.0 -62.1 -21.3 22.7 42.8 14.8 10 609 A R G < S+ 0 0 55 -3,-1.9 21,-3.1 20,-0.1 2,-0.7 0.479 81.9 99.0 -87.4 -3.0 22.2 39.4 16.4 11 610 A L E < -A 30 0A 23 -3,-1.8 2,-0.6 19,-0.2 19,-0.2 -0.777 56.7-161.3 -94.8 114.6 20.2 37.8 13.5 12 611 A R E -A 29 0A 104 17,-3.3 17,-2.6 -2,-0.7 2,-0.2 -0.868 22.8-125.1 -93.7 118.1 22.4 35.7 11.2 13 612 A F E +A 28 0A 123 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.420 40.2 160.6 -66.0 126.4 20.6 35.2 7.8 14 613 A K E - 0 0 116 13,-2.6 2,-0.3 1,-0.3 14,-0.2 0.743 59.4 -26.1-108.2 -45.0 20.1 31.6 6.8 15 614 A E E -A 27 0A 102 12,-1.7 12,-3.6 0, 0.0 2,-0.6 -0.974 52.4-106.9-174.4 144.7 17.4 31.5 4.3 16 615 A K E -A 26 0A 84 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.765 28.4-172.7 -82.1 122.6 14.3 33.1 2.9 17 616 A L E - 0 0 63 8,-2.5 2,-0.3 -2,-0.6 9,-0.2 0.776 55.3 -55.1 -88.6 -31.7 11.3 30.9 3.9 18 617 A G E -A 25 0A 18 7,-1.6 7,-2.8 158,-0.0 2,-0.3 -0.990 45.3-122.7 173.4-163.2 8.7 32.8 1.9 19 618 A E E +A 24 0A 101 156,-0.3 156,-2.5 -2,-0.3 5,-0.3 -0.982 15.7 174.5-162.7 146.8 6.9 35.9 1.0 20 619 A G E > -A 23 0A 17 3,-2.4 3,-0.7 -2,-0.3 154,-0.1 -0.842 57.0 -72.1-144.8-167.4 3.5 37.5 0.7 21 620 A Q T 3 S+ 0 0 89 152,-0.3 38,-0.1 -2,-0.2 153,-0.1 0.877 128.2 55.2 -52.8 -40.9 1.9 40.9 -0.1 22 621 A F T 3 S- 0 0 33 151,-0.4 37,-2.2 1,-0.1 2,-0.3 0.783 121.9 -90.6 -62.3 -33.9 3.3 42.2 3.2 23 622 A G E < -AB 20 58A 8 -3,-0.7 -3,-2.4 35,-0.2 2,-0.3 -0.902 59.8 -53.6 149.9-129.8 7.0 41.4 2.7 24 623 A E E -AB 19 57A 61 33,-1.8 33,-3.1 -2,-0.3 2,-0.4 -0.910 25.6-126.2-151.9 167.6 8.8 38.2 3.6 25 624 A V E -AB 18 56A 14 -7,-2.8 -8,-2.5 -2,-0.3 -7,-1.6 -0.985 25.8-170.5-121.6 131.1 9.8 35.6 6.2 26 625 A H E -AB 16 55A 30 29,-2.6 29,-2.4 -2,-0.4 2,-0.6 -0.958 22.8-132.0-118.1 145.5 13.5 34.6 6.9 27 626 A L E +AB 15 54A 10 -12,-3.6 -13,-2.6 -2,-0.4 -12,-1.7 -0.845 37.7 177.6 -85.8 121.9 15.1 31.8 8.8 28 627 A C E -AB 13 53A 8 25,-2.8 25,-2.8 -2,-0.6 2,-0.4 -0.864 26.0-136.5-121.5 159.6 17.8 33.4 11.0 29 628 A E E -AB 12 52A 58 -17,-2.6 -17,-3.3 -2,-0.3 2,-0.5 -0.949 26.3-121.9-109.9 140.1 20.2 32.1 13.7 30 629 A V E -A 11 0A 1 21,-2.6 21,-0.4 -2,-0.4 2,-0.3 -0.702 26.9-128.4 -85.4 121.4 20.7 34.1 16.9 31 630 A D S S- 0 0 62 -21,-3.1 4,-0.1 -2,-0.5 -1,-0.0 -0.546 80.8 -16.5 -73.0 127.7 24.4 35.1 17.3 32 631 A S S >> S- 0 0 62 -2,-0.3 3,-1.4 1,-0.1 4,-0.5 0.888 75.8-176.3 43.0 62.0 25.8 34.1 20.7 33 632 A P H >> + 0 0 22 0, 0.0 3,-1.2 0, 0.0 4,-1.2 0.764 69.4 72.3 -64.3 -27.2 22.4 33.7 22.3 34 633 A Q H 34 S+ 0 0 129 1,-0.3 3,-0.2 2,-0.2 -2,-0.1 0.807 94.6 55.2 -58.7 -32.6 23.7 33.0 25.8 35 634 A D H <4 S+ 0 0 130 -3,-1.4 -1,-0.3 1,-0.2 -3,-0.1 0.764 108.7 48.2 -68.0 -26.5 24.6 36.7 26.1 36 635 A L H << S+ 0 0 21 -3,-1.2 5,-0.3 -4,-0.5 2,-0.3 0.639 78.2 121.3 -87.2 -19.7 21.0 37.7 25.3 37 636 A V < + 0 0 63 -4,-1.2 2,-0.3 -3,-0.2 -3,-0.0 -0.318 39.2 129.1 -53.0 110.4 19.4 35.3 27.7 38 637 A S S S- 0 0 55 3,-1.8 3,-0.1 -2,-0.3 5,-0.1 -0.912 75.1 -89.9-150.0 175.2 17.3 37.6 30.1 39 638 A L S S+ 0 0 103 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 0.846 127.4 50.7 -57.0 -36.2 13.8 38.0 31.5 40 639 A D S S+ 0 0 63 1,-0.3 -1,-0.2 -38,-0.0 -3,-0.1 0.777 124.3 27.4 -77.6 -31.6 12.9 40.2 28.5 41 640 A F S S- 0 0 20 -5,-0.3 -3,-1.8 -3,-0.1 2,-1.1 -0.753 74.7-176.3-126.3 82.6 14.2 37.6 26.0 42 641 A P + 0 0 96 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.740 17.8 178.2 -79.4 105.5 13.9 34.2 27.6 43 642 A L - 0 0 22 -2,-1.1 2,-1.0 -10,-0.1 -2,-0.1 -0.851 34.1-124.7-110.7 148.0 15.5 32.0 24.9 44 643 A N - 0 0 95 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.799 36.3-168.6 -93.0 96.8 16.0 28.3 25.1 45 644 A V - 0 0 50 -2,-1.0 2,-0.5 -12,-0.1 6,-0.0 -0.717 13.6-167.9 -94.3 139.1 19.7 28.0 24.5 46 645 A R > - 0 0 187 3,-0.5 3,-2.4 -2,-0.3 -2,-0.0 -0.933 27.3-125.1-127.0 104.9 21.4 24.7 23.7 47 646 A K T 3 S+ 0 0 95 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.170 95.5 19.8 -50.9 132.6 25.2 24.9 23.9 48 647 A G T 3 S+ 0 0 82 1,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.324 110.9 87.6 91.1 -6.6 26.7 23.6 20.7 49 648 A H S < S- 0 0 121 -3,-2.4 -3,-0.5 0, 0.0 -1,-0.1 -0.978 80.5-105.6-132.2 139.5 23.6 24.1 18.6 50 649 A P - 0 0 66 0, 0.0 2,-0.8 0, 0.0 -19,-0.1 -0.326 23.0-135.9 -62.3 133.4 22.1 27.0 16.6 51 650 A L - 0 0 25 -21,-0.4 -21,-2.6 -2,-0.0 2,-0.4 -0.855 29.6-159.5 -85.1 112.4 19.2 28.8 18.0 52 651 A L E +B 29 0A 37 -2,-0.8 52,-0.9 -23,-0.2 2,-0.3 -0.763 13.5 178.5-101.2 136.8 16.9 29.2 15.0 53 652 A V E -BC 28 103A 0 -25,-2.8 -25,-2.8 -2,-0.4 2,-0.4 -0.969 26.3-126.6-135.2 150.8 14.1 31.8 14.7 54 653 A A E -BC 27 102A 13 48,-2.1 48,-3.0 -2,-0.3 2,-0.5 -0.842 24.0-163.0 -93.8 137.7 11.6 32.9 12.1 55 654 A V E -BC 26 101A 2 -29,-2.4 -29,-2.6 -2,-0.4 2,-0.5 -0.979 6.4-160.5-128.3 118.1 11.5 36.6 11.2 56 655 A K E -BC 25 100A 24 44,-2.8 44,-1.9 -2,-0.5 2,-0.5 -0.879 17.4-164.9 -99.2 125.3 8.6 38.3 9.4 57 656 A I E -BC 24 99A 24 -33,-3.1 -33,-1.8 -2,-0.5 2,-0.3 -0.944 17.0-132.4-125.7 125.0 9.6 41.6 7.8 58 657 A L E -B 23 0A 5 40,-2.3 -35,-0.2 -2,-0.5 40,-0.2 -0.565 36.0-108.3 -73.3 126.8 7.5 44.4 6.5 59 658 A R > - 0 0 110 -37,-2.2 3,-1.8 -2,-0.3 39,-0.1 -0.265 21.8-128.7 -50.1 130.4 8.6 45.6 3.0 60 659 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.825 108.6 53.3 -50.9 -35.2 10.3 49.1 3.2 61 660 A D T 3 S+ 0 0 115 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.173 83.9 142.6 -89.6 21.0 8.0 50.5 0.4 62 661 A A < - 0 0 26 -3,-1.8 -40,-0.1 1,-0.1 -39,-0.0 -0.203 51.9-111.9 -64.2 148.8 4.8 49.4 2.4 63 662 A T > - 0 0 91 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.255 29.4-103.4 -73.3 165.0 1.7 51.5 2.4 64 663 A K H > S+ 0 0 73 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.898 124.2 47.1 -51.8 -43.5 0.4 53.4 5.5 65 664 A N H > S+ 0 0 117 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.900 110.3 49.3 -67.6 -46.8 -2.3 50.6 5.8 66 665 A A H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.901 111.8 50.5 -57.7 -43.9 0.0 47.7 5.3 67 666 A R H X S+ 0 0 92 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.872 112.2 47.6 -62.7 -40.2 2.3 49.2 8.0 68 667 A N H X S+ 0 0 100 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.831 110.8 50.2 -69.4 -38.5 -0.7 49.6 10.3 69 668 A D H X S+ 0 0 115 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.888 110.9 51.1 -62.3 -40.3 -1.9 46.0 9.7 70 669 A F H X S+ 0 0 7 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.946 110.4 46.8 -65.0 -48.5 1.6 44.9 10.5 71 670 A L H X S+ 0 0 57 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.801 108.9 56.1 -63.7 -30.6 1.7 46.8 13.8 72 671 A K H X S+ 0 0 51 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.908 107.1 49.7 -63.4 -42.7 -1.7 45.5 14.7 73 672 A E H X S+ 0 0 59 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.863 108.0 53.9 -65.8 -36.5 -0.4 42.0 14.2 74 673 A V H X S+ 0 0 6 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.933 109.3 47.1 -57.8 -49.4 2.6 42.9 16.5 75 674 A K H X S+ 0 0 64 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.950 115.0 46.9 -61.1 -48.2 0.3 44.1 19.3 76 675 A I H >X S+ 0 0 60 -4,-2.5 4,-1.7 1,-0.2 3,-0.8 0.939 112.3 49.4 -54.7 -53.2 -1.8 40.9 18.9 77 676 A M H 3< S+ 0 0 20 -4,-3.0 11,-0.6 1,-0.2 -1,-0.2 0.854 104.4 59.5 -56.7 -38.7 1.2 38.6 18.8 78 677 A S H 3< S+ 0 0 38 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.817 107.8 46.8 -63.2 -29.6 2.6 40.3 22.0 79 678 A R H << S+ 0 0 136 -4,-1.1 2,-0.5 -3,-0.8 -1,-0.2 0.912 87.9 94.2 -76.2 -43.5 -0.5 39.3 23.9 80 679 A L < + 0 0 11 -4,-1.7 8,-0.5 1,-0.1 2,-0.5 -0.315 41.8 156.8 -65.5 105.9 -0.7 35.6 22.8 81 680 A K + 0 0 85 -2,-0.5 6,-0.1 6,-0.1 5,-0.1 -0.909 23.0 120.4-129.4 101.4 1.0 33.5 25.4 82 681 A D > - 0 0 30 -2,-0.5 3,-1.7 3,-0.4 58,-0.0 -0.955 68.6-114.5-161.5 143.4 -0.2 29.9 25.3 83 682 A P T 3 S+ 0 0 89 0, 0.0 4,-0.1 0, 0.0 57,-0.1 0.716 114.5 45.9 -54.9 -26.1 1.4 26.5 24.7 84 683 A N T 3 S+ 0 0 15 84,-0.1 85,-2.7 52,-0.1 2,-0.4 0.074 98.2 78.8-112.5 23.6 -0.5 26.0 21.5 85 684 A I B < S-e 169 0B 7 -3,-1.7 -3,-0.4 83,-0.3 85,-0.2 -0.993 92.5-100.6-125.3 135.8 -0.1 29.4 19.8 86 685 A I - 0 0 14 83,-2.5 2,-0.4 -2,-0.4 -2,-0.1 -0.254 46.7-127.9 -46.8 139.1 3.1 30.4 18.0 87 686 A R - 0 0 70 -4,-0.1 16,-1.0 -6,-0.1 2,-0.6 -0.844 2.3-130.8-104.2 132.5 5.1 32.6 20.5 88 687 A L E -D 102 0A 25 -11,-0.6 14,-0.2 -8,-0.5 3,-0.1 -0.672 22.4-179.0 -74.0 113.5 6.5 36.1 19.8 89 688 A L E - 0 0 28 12,-2.5 2,-0.3 -2,-0.6 13,-0.2 0.761 61.1 -42.0 -81.8 -28.5 10.1 36.1 20.9 90 689 A G E -D 101 0A 4 11,-1.5 11,-2.7 -49,-0.1 2,-0.3 -0.987 50.1-127.4 178.1 175.8 10.7 39.7 20.0 91 690 A V E -D 100 0A 0 -87,-0.4 -85,-3.1 -2,-0.3 2,-0.3 -0.920 7.4-147.7-138.2 165.7 10.3 42.6 17.7 92 691 A C E +D 99 0A 0 7,-1.8 7,-1.5 -2,-0.3 -87,-0.0 -0.857 43.7 137.4-132.1 96.1 12.3 45.3 15.8 93 692 A V + 0 0 34 -2,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.615 46.9 81.1-118.3 -17.2 10.0 48.3 15.6 94 693 A Q S S+ 0 0 152 3,-0.1 2,-0.2 2,-0.0 4,-0.1 0.942 105.2 22.1 -53.4 -53.5 12.2 51.4 16.3 95 694 A D S S- 0 0 106 2,-0.2 -3,-0.0 1,-0.0 0, 0.0 -0.714 100.6 -69.9-108.4 163.4 13.6 51.5 12.8 96 695 A D S S+ 0 0 95 -2,-0.2 -3,-0.1 1,-0.1 2,-0.1 -0.622 100.0 64.5 -79.3 152.5 12.4 50.2 9.5 97 696 A P S S- 0 0 44 0, 0.0 -2,-0.2 0, 0.0 -38,-0.1 0.504 81.4-140.9 -77.2 141.1 12.1 47.4 8.5 98 697 A L - 0 0 1 -40,-0.2 -40,-2.3 -39,-0.1 2,-0.3 -0.431 26.6-169.9 -66.7 140.7 9.5 46.3 11.0 99 698 A C E -CD 57 92A 6 -7,-1.5 -7,-1.8 -42,-0.2 2,-0.4 -0.983 24.8-162.4-137.2 149.0 10.1 42.8 12.2 100 699 A M E -CD 56 91A 5 -44,-1.9 -44,-2.8 -2,-0.3 2,-0.5 -0.999 16.9-157.9-125.4 129.9 8.4 40.1 14.3 101 700 A I E +CD 55 90A 0 -11,-2.7 -12,-2.5 -2,-0.4 -11,-1.5 -0.949 15.9 173.8-114.5 125.0 10.6 37.2 15.5 102 701 A T E -CD 54 88A 25 -48,-3.0 -48,-2.1 -2,-0.5 -14,-0.2 -0.774 39.0 -83.2-121.9 166.1 9.1 33.8 16.5 103 702 A D E -C 53 0A 35 -16,-1.0 2,-0.5 -2,-0.2 -50,-0.2 -0.319 45.0-126.3 -55.6 145.7 10.3 30.3 17.5 104 703 A Y - 0 0 77 -52,-0.9 2,-0.7 -51,-0.1 -52,-0.2 -0.930 14.4-152.5-105.7 124.6 11.2 28.1 14.6 105 704 A M > - 0 0 16 -2,-0.5 3,-1.4 1,-0.1 56,-0.2 -0.838 3.0-163.6-101.0 111.5 9.5 24.7 14.4 106 705 A E T 3 S+ 0 0 128 -2,-0.7 -1,-0.1 1,-0.3 56,-0.1 0.661 82.1 65.5 -73.4 -16.4 11.8 22.3 12.6 107 706 A N T 3 S- 0 0 81 54,-1.0 -1,-0.3 1,-0.2 55,-0.1 0.445 97.2-142.6 -87.5 1.6 9.1 19.6 11.9 108 707 A G < - 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0 0 0 -2,-0.3 4,-1.9 13,-0.1 3,-0.6 -0.275 31.6-109.9 -63.0 154.4 -18.8 27.9 6.9 196 812 A W H 3> S+ 0 0 22 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.896 118.3 55.4 -58.5 -41.8 -21.8 28.4 4.6 197 813 A E H 3>>S+ 0 0 14 1,-0.2 4,-1.3 2,-0.2 6,-1.0 0.845 106.3 52.0 -65.8 -30.3 -22.5 31.8 6.1 198 814 A C H <>5S+ 0 0 5 -3,-0.6 4,-1.2 4,-0.3 3,-0.2 0.936 114.3 42.4 -64.5 -48.8 -18.9 33.0 5.4 199 815 A I H <5S+ 0 0 39 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.925 122.2 39.3 -64.1 -43.4 -19.2 31.9 1.8 200 816 A L H <5S+ 0 0 73 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.534 140.5 2.4 -85.6 -14.4 -22.8 33.3 1.3 201 817 A M H <5S- 0 0 129 -4,-1.3 -3,-0.2 -3,-0.2 -2,-0.2 0.493 89.4-113.3-144.1 -27.3 -22.4 36.5 3.4 202 818 A G << + 0 0 46 -4,-1.2 2,-0.9 -5,-0.9 -4,-0.3 0.740 57.1 153.9 77.1 26.5 -18.8 37.0 4.7 203 819 A K - 0 0 42 -6,-1.0 2,-0.5 -8,-0.1 -1,-0.2 -0.804 21.1-173.9 -86.6 103.3 -19.8 36.7 8.4 204 820 A F + 0 0 41 -2,-0.9 2,-0.3 -3,-0.1 -54,-0.1 -0.896 18.2 144.2 -99.9 128.5 -16.6 35.4 10.1 205 821 A T > - 0 0 54 -2,-0.5 4,-1.9 1,-0.1 3,-0.3 -0.864 67.6 -89.6-149.7 173.6 -16.9 34.5 13.8 206 822 A T H > S+ 0 0 48 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.846 127.1 61.5 -59.7 -31.4 -15.7 32.0 16.4 207 823 A A H > S+ 0 0 20 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.874 104.3 45.7 -63.9 -38.7 -18.7 29.9 15.2 208 824 A S H > S+ 0 0 6 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.820 108.4 56.9 -73.6 -31.1 -17.1 29.8 11.7 209 825 A D H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.877 105.4 52.2 -61.7 -37.9 -13.7 29.0 13.3 210 826 A V H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.893 107.2 51.6 -62.0 -41.8 -15.5 25.9 14.9 211 827 A W H X S+ 0 0 9 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.949 112.4 46.2 -57.8 -50.2 -16.8 24.9 11.4 212 828 A A H X S+ 0 0 7 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.835 107.7 56.8 -60.8 -35.9 -13.1 25.2 10.2 213 829 A F H X S+ 0 0 1 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.918 103.9 54.4 -62.2 -43.8 -12.0 23.2 13.3 214 830 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.928 110.4 44.5 -52.4 -48.5 -14.3 20.5 12.2 215 831 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.880 113.2 52.3 -64.7 -36.0 -12.8 20.3 8.8 216 832 A T H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.886 106.4 52.6 -67.5 -40.3 -9.3 20.5 10.4 217 833 A L H X S+ 0 0 3 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.887 108.3 52.3 -59.9 -39.2 -10.2 17.6 12.6 218 834 A W H X S+ 0 0 17 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.916 107.3 51.1 -62.4 -45.8 -11.2 15.7 9.5 219 835 A E H <>S+ 0 0 5 -4,-2.3 5,-3.0 2,-0.2 3,-0.3 0.952 111.2 48.6 -54.4 -50.1 -7.8 16.4 7.9 220 836 A V H ><5S+ 0 0 1 -4,-2.2 3,-2.3 1,-0.3 -2,-0.2 0.944 112.0 46.9 -57.1 -54.8 -6.0 15.1 10.9 221 837 A L H 3<5S+ 0 0 6 -4,-2.5 38,-0.4 1,-0.3 -1,-0.3 0.704 113.7 49.9 -62.5 -21.7 -8.0 11.9 11.1 222 838 A M T ><5S- 0 0 49 -4,-1.6 3,-1.1 -3,-0.3 -1,-0.3 0.371 111.0-125.8 -86.6 1.8 -7.4 11.5 7.4 223 839 A L T < 5 - 0 0 12 -3,-2.3 -3,-0.2 1,-0.2 -106,-0.2 0.846 60.7 -72.0 44.3 38.2 -3.7 12.1 8.0 224 840 A C T 3 - 0 0 65 -2,-0.3 3,-1.7 1,-0.1 4,-0.1 -0.587 50.7 -99.3 -70.7 129.7 -8.3 17.8 0.2 228 844 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.273 108.2 7.6 -51.9 133.9 -11.7 18.3 2.0 229 845 A F T > S+ 0 0 15 1,-0.1 3,-3.0 2,-0.1 -2,-0.0 0.770 78.9 158.4 59.8 30.5 -14.5 18.0 -0.5 230 846 A G T < + 0 0 54 -3,-1.7 -1,-0.1 1,-0.3 4,-0.1 0.689 68.3 66.3 -57.9 -17.1 -12.1 16.8 -3.2 231 847 A Q T 3 S+ 0 0 118 -4,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.615 97.5 66.4 -76.1 -12.2 -15.1 15.3 -4.9 232 848 A L S < S- 0 0 24 -3,-3.0 5,-0.1 -4,-0.1 -1,-0.0 -0.922 81.2-130.4-111.3 136.4 -16.4 18.8 -5.5 233 849 A T > - 0 0 80 -2,-0.4 4,-1.8 1,-0.1 5,-0.1 -0.201 39.3 -97.2 -67.4 170.7 -14.9 21.5 -7.7 234 850 A D H > S+ 0 0 45 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.891 127.3 48.6 -59.6 -40.4 -14.4 24.9 -6.2 235 851 A E H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.880 110.5 51.2 -68.5 -38.3 -17.6 26.2 -7.8 236 852 A Q H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.762 102.9 58.9 -70.2 -26.9 -19.4 23.2 -6.5 237 853 A V H X S+ 0 0 6 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.909 108.2 47.3 -64.6 -41.6 -18.0 23.8 -3.0 238 854 A I H X S+ 0 0 52 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.889 111.4 49.7 -63.5 -44.6 -19.8 27.2 -3.2 239 855 A E H X S+ 0 0 127 -4,-2.0 4,-1.0 1,-0.2 3,-0.3 0.899 106.7 56.4 -60.2 -39.8 -23.0 25.5 -4.4 240 856 A N H X S+ 0 0 13 -4,-2.4 4,-1.4 1,-0.2 3,-0.3 0.845 100.6 57.1 -58.9 -38.2 -22.8 23.1 -1.5 241 857 A A H X S+ 0 0 4 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.859 102.6 56.9 -59.5 -38.3 -22.7 26.0 0.9 242 858 A G H X S+ 0 0 24 -4,-1.2 4,-1.0 -3,-0.3 -1,-0.2 0.800 103.6 52.0 -62.0 -32.8 -26.0 27.0 -0.7 243 859 A E H X>S+ 0 0 55 -4,-1.0 4,-2.5 -3,-0.3 5,-0.5 0.763 105.1 55.2 -77.8 -26.3 -27.4 23.6 0.2 244 860 A F H <5S+ 0 0 6 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.949 108.6 48.1 -64.8 -46.9 -26.3 24.0 3.9 245 861 A F H <5S+ 0 0 107 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.823 111.7 51.2 -57.4 -33.3 -28.3 27.2 3.9 246 862 A R H <5S- 0 0 67 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.890 84.2-170.8 -73.0 -42.6 -31.1 25.2 2.3 247 863 A D T <5 + 0 0 89 -4,-2.5 -3,-0.1 1,-0.2 -2,-0.1 0.823 42.0 129.5 55.8 32.4 -30.8 22.6 5.1 248 864 A Q S - 0 0 1 0, 0.0 3,-1.4 0, 0.0 -35,-0.1 -0.363 22.2-113.5 -58.2 145.5 -12.7 8.9 8.2 258 874 A P T 3 S+ 0 0 123 0, 0.0 -36,-0.1 0, 0.0 -2,-0.1 0.863 117.3 48.6 -43.4 -42.6 -11.8 5.2 8.7 259 875 A A T 3 S+ 0 0 26 -38,-0.4 -37,-0.1 2,-0.0 -3,-0.0 0.692 92.3 95.4 -74.8 -19.6 -10.1 6.0 12.0 260 876 A C < - 0 0 0 -3,-1.4 2,-0.1 -39,-0.1 -42,-0.0 -0.594 67.6-141.2 -82.3 120.6 -12.9 8.2 13.4 261 877 A P > - 0 0 59 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.382 30.7-102.7 -74.3 166.1 -15.5 6.6 15.7 262 878 A Q H > S+ 0 0 96 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.834 117.8 53.3 -59.0 -40.4 -19.1 7.6 15.4 263 879 A G H > S+ 0 0 40 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.892 110.9 46.2 -66.7 -39.1 -19.2 9.9 18.5 264 880 A L H > S+ 0 0 4 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.915 111.7 52.1 -67.5 -41.9 -16.2 11.9 17.2 265 881 A Y H X S+ 0 0 31 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.893 107.7 52.1 -57.5 -42.6 -17.7 12.1 13.8 266 882 A E H X S+ 0 0 87 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.860 105.2 55.6 -68.6 -30.9 -21.0 13.4 15.2 267 883 A L H X S+ 0 0 4 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.920 107.9 48.9 -59.1 -45.7 -19.0 16.1 17.1 268 884 A M H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 3,-0.3 0.944 107.3 55.5 -57.8 -49.1 -17.6 17.1 13.7 269 885 A L H >< S+ 0 0 52 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.876 105.2 52.2 -51.3 -40.3 -21.2 17.1 12.3 270 886 A R H >< S+ 0 0 104 -4,-1.9 3,-1.9 1,-0.3 -1,-0.2 0.862 100.6 61.2 -70.9 -30.8 -22.2 19.6 15.1 271 887 A C H 3< S+ 0 0 0 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.765 106.9 48.6 -57.8 -24.0 -19.3 21.8 14.1 272 888 A W T << S+ 0 0 4 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.178 80.1 140.2-104.8 18.3 -21.2 21.9 10.7 273 889 A S < - 0 0 23 -3,-1.9 6,-0.1 1,-0.1 -3,-0.1 -0.282 59.0-127.3 -58.6 143.9 -24.6 22.7 12.2 274 890 A R S S+ 0 0 59 -30,-0.1 2,-0.4 4,-0.1 -77,-0.2 0.914 94.8 65.0 -62.4 -44.8 -26.4 25.3 10.0 275 891 A E S > S- 0 0 66 1,-0.1 3,-1.4 2,-0.0 4,-0.4 -0.703 78.4-143.0 -84.1 130.6 -27.1 27.6 13.0 276 892 A S G > S+ 0 0 53 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.902 97.7 60.6 -56.9 -43.6 -23.9 29.1 14.5 277 893 A E G 3 S+ 0 0 146 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.601 99.7 56.2 -66.4 -12.6 -25.4 28.8 18.1 278 894 A Q G < S+ 0 0 126 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.515 84.5 98.3 -94.0 -5.9 -25.7 25.0 17.8 279 895 A R S < S- 0 0 12 -3,-2.0 -8,-0.2 -4,-0.4 -68,-0.1 -0.627 85.6-109.0 -79.2 139.3 -22.0 24.6 17.0 280 896 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.400 29.2-112.9 -75.7 145.0 -20.1 23.7 20.1 281 897 A P >> - 0 0 77 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.325 28.0-110.6 -68.2 156.4 -17.7 26.2 21.8 282 898 A F H 3> S+ 0 0 5 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.815 118.3 61.1 -60.5 -33.2 -14.0 25.4 21.7 283 899 A S H 3> S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.899 109.8 43.3 -56.0 -40.5 -14.0 24.8 25.5 284 900 A Q H <> S+ 0 0 56 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.890 112.9 50.7 -73.0 -41.9 -16.4 21.9 24.8 285 901 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.913 114.0 46.1 -62.4 -41.4 -14.5 20.7 21.7 286 902 A H H X S+ 0 0 58 -4,-2.9 4,-3.2 -148,-0.2 5,-0.3 0.942 112.4 48.4 -67.0 -49.2 -11.3 20.7 23.9 287 903 A R H X>S+ 0 0 89 -4,-2.3 4,-2.5 -5,-0.2 5,-0.7 0.907 112.3 50.3 -56.6 -41.5 -12.9 18.9 26.8 288 904 A F H <>S+ 0 0 39 -4,-2.5 5,-3.3 3,-0.2 6,-0.3 0.883 115.1 42.0 -69.5 -37.6 -14.4 16.3 24.5 289 905 A L H <>S+ 0 0 0 -4,-2.1 5,-0.7 3,-0.2 -2,-0.2 0.914 120.0 42.4 -72.8 -43.9 -11.1 15.6 22.8 290 906 A A H <5S+ 0 0 38 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.808 134.3 14.0 -74.0 -30.4 -9.0 15.6 26.0 291 907 A E T X5S+ 0 0 96 -4,-2.5 4,-3.0 -5,-0.3 5,-0.2 0.770 127.5 33.9-106.9 -79.8 -11.5 13.7 28.0 292 908 A D T 444