==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 08-FEB-07 2EBH . COMPND 2 MOLECULE: DERMONECROTIC TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PASTEURELLA MULTOCIDA; . AUTHOR K.KITADOKORO,Y.HORIGUCHI,S.KAMITANI . 711 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32819.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 456 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 7.7 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 29 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.8 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 2 3 1 3 2 2 3 2 2 2 1 3 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 1 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 PARALLEL BRIDGES PER LADDER . 3 3 2 3 1 0 0 0 1 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 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 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 1 575 X L > 0 0 89 0, 0.0 2,-1.4 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 107.0 3.6 34.6 87.1 2 576 X G T 3 + 0 0 97 1,-0.3 535,-0.1 535,-0.0 0, 0.0 -0.607 360.0 5.1 -87.9 73.5 6.1 37.0 85.3 3 577 X G T 3 S- 0 0 52 -2,-1.4 -1,-0.3 533,-0.2 534,-0.1 0.728 86.4-155.0 113.9 62.5 5.6 35.5 81.8 4 578 X S X - 0 0 4 -3,-0.5 3,-1.0 532,-0.4 5,-0.0 -0.379 18.9-140.0 -70.7 139.0 2.9 32.8 81.9 5 579 X P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.520 105.6 57.7 -68.7 -7.0 2.7 29.9 79.4 6 580 X Y T 3 S+ 0 0 57 530,-0.1 531,-0.1 699,-0.1 700,-0.1 0.526 82.7 104.0-100.0 -12.1 -1.1 30.5 79.4 7 581 X S X - 0 0 14 -3,-1.0 3,-0.8 529,-0.2 699,-0.1 -0.492 66.5-144.3 -70.7 137.1 -0.9 34.2 78.3 8 582 X P T 3 S+ 0 0 12 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.752 101.5 58.4 -68.2 -21.4 -1.8 35.0 74.7 9 583 X F T 3 + 0 0 25 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 -0.220 66.0 114.5-102.5 41.8 0.9 37.7 74.9 10 584 X R < - 0 0 44 -3,-0.8 -1,-0.2 -5,-0.1 -3,-0.0 0.609 69.7-141.0 -85.8 -11.1 3.8 35.4 75.8 11 585 X I - 0 0 8 -3,-0.4 2,-0.1 82,-0.2 83,-0.1 0.945 26.5-160.4 49.2 58.1 5.5 36.2 72.5 12 586 X G - 0 0 9 81,-0.2 3,-0.3 1,-0.1 -1,-0.1 -0.408 19.8-151.7 -72.7 146.1 6.7 32.6 72.0 13 587 X L > + 0 0 23 1,-0.2 3,-2.0 -2,-0.1 -1,-0.1 0.296 63.9 110.3-102.6 8.4 9.6 31.8 69.7 14 588 X E T 3 S+ 0 0 123 1,-0.3 697,-0.2 79,-0.1 -1,-0.2 0.744 84.4 42.1 -56.8 -30.1 8.6 28.3 68.8 15 589 X G T 3 S+ 0 0 0 694,-0.4 2,-0.5 -3,-0.3 -1,-0.3 0.194 97.6 90.7-104.7 14.1 7.7 29.3 65.2 16 590 X V S < S- 0 0 5 -3,-2.0 70,-0.1 693,-0.1 695,-0.0 -0.958 80.1-114.0-114.9 125.7 10.6 31.6 64.6 17 591 X W - 0 0 17 -2,-0.5 -2,-0.1 1,-0.1 -1,-0.0 -0.094 22.9-128.2 -52.5 147.1 13.9 30.2 63.1 18 592 X T > - 0 0 60 1,-0.1 4,-2.1 30,-0.0 3,-0.3 -0.530 32.3-101.5 -86.0 162.8 17.1 30.0 65.0 19 593 X P H > S+ 0 0 11 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.905 122.5 52.2 -50.4 -45.4 20.3 31.5 63.5 20 594 X E H > S+ 0 0 132 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.837 108.6 49.7 -64.4 -35.0 21.6 28.0 62.5 21 595 X V H > S+ 0 0 60 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.893 111.1 50.5 -68.7 -39.5 18.4 27.2 60.7 22 596 X L H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.923 104.6 57.8 -60.6 -48.1 18.6 30.5 58.9 23 597 X K H X S+ 0 0 80 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.901 110.1 43.3 -46.7 -51.7 22.3 29.8 57.9 24 598 X A H < S+ 0 0 73 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.838 117.6 46.4 -66.8 -34.9 21.3 26.6 56.1 25 599 X R H < S+ 0 0 159 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.834 119.5 37.6 -77.4 -35.1 18.2 28.2 54.5 26 600 X A H < S+ 0 0 1 -4,-3.2 -2,-0.2 -5,-0.1 -1,-0.2 0.344 85.9 125.3-102.0 3.8 19.9 31.4 53.3 27 601 X S < - 0 0 82 -4,-0.8 2,-0.4 -5,-0.3 -3,-0.0 -0.446 38.7-170.3 -65.0 131.9 23.2 29.8 52.3 28 602 X V B > -A 31 0A 41 3,-0.5 3,-1.7 -2,-0.2 2,-0.3 -0.994 30.7-105.8-125.9 135.2 24.3 30.5 48.7 29 603 X I T 3 S+ 0 0 178 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.418 102.9 4.7 -64.8 120.6 27.2 28.7 47.0 30 604 X G T 3 S+ 0 0 82 -2,-0.3 -1,-0.3 1,-0.2 0, 0.0 0.388 103.2 109.7 87.4 -2.0 30.2 31.0 46.7 31 605 X K B < -A 28 0A 71 -3,-1.7 -3,-0.5 3,-0.0 -1,-0.2 -0.912 55.9-154.2-108.6 107.0 28.6 33.9 48.6 32 606 X P - 0 0 106 0, 0.0 2,-0.5 0, 0.0 -3,-0.0 -0.359 40.7 -77.3 -71.6 161.1 30.2 34.5 52.0 33 607 X I - 0 0 94 4,-0.1 -6,-0.0 -2,-0.1 5,-0.0 -0.460 53.5-150.2 -65.3 112.2 28.1 36.2 54.8 34 608 X G > - 0 0 37 -2,-0.5 4,-1.7 -3,-0.1 5,-0.1 -0.078 27.4 -98.8 -72.8-179.8 28.0 39.9 54.1 35 609 X E H > S+ 0 0 113 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.794 121.5 50.6 -79.0 -30.2 27.7 42.7 56.7 36 610 X S H > S+ 0 0 52 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.924 114.6 45.3 -65.0 -47.2 23.9 43.2 56.4 37 611 X Y H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.809 108.8 54.9 -68.8 -33.4 23.4 39.4 56.8 38 612 X K H X S+ 0 0 102 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.818 109.6 47.6 -73.2 -28.9 25.8 39.1 59.7 39 613 X R H X S+ 0 0 140 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.756 109.0 54.3 -79.0 -28.3 23.8 41.8 61.6 40 614 X I H X S+ 0 0 1 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.887 110.4 47.7 -65.6 -40.7 20.6 40.0 60.7 41 615 X L H X S+ 0 0 20 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.839 111.4 49.2 -69.4 -36.4 22.1 36.8 62.3 42 616 X A H X S+ 0 0 55 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.833 110.6 50.7 -72.1 -34.7 23.2 38.7 65.4 43 617 X K H X S+ 0 0 43 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.890 108.4 52.2 -68.5 -41.7 19.8 40.3 65.9 44 618 X L H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.897 108.6 51.2 -59.8 -42.4 18.1 36.9 65.5 45 619 X Q H X S+ 0 0 81 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.901 107.8 51.9 -63.2 -41.2 20.4 35.4 68.2 46 620 X R H X S+ 0 0 140 -4,-1.7 4,-0.7 1,-0.2 3,-0.2 0.890 107.0 53.9 -61.2 -40.9 19.6 38.3 70.6 47 621 X I H >< S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.911 109.8 47.0 -58.0 -45.3 15.8 37.6 70.1 48 622 X H H 3< S+ 0 0 45 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.706 114.5 47.3 -73.5 -20.0 16.3 33.9 71.0 49 623 X N H 3< S+ 0 0 102 -4,-1.3 2,-0.4 -3,-0.2 -1,-0.2 0.455 86.7 115.2 -95.6 -4.1 18.4 34.9 74.1 50 624 X S << + 0 0 11 -3,-0.7 -3,-0.0 -4,-0.7 3,-0.0 -0.541 33.9 173.1 -77.1 125.3 15.9 37.6 75.3 51 625 X N + 0 0 138 -2,-0.4 2,-0.6 1,-0.1 -1,-0.2 0.756 62.1 79.7 -96.4 -35.2 14.2 36.9 78.6 52 626 X I S > S- 0 0 100 1,-0.2 4,-2.6 2,-0.0 3,-0.2 -0.704 71.3-152.7 -80.9 116.3 12.4 40.3 79.0 53 627 X L H > S+ 0 0 51 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.861 91.2 53.1 -63.4 -42.2 9.3 40.0 76.7 54 628 X D H > S+ 0 0 45 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.896 113.3 45.4 -58.3 -42.7 8.9 43.7 76.0 55 629 X E H > S+ 0 0 92 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.929 109.6 56.1 -65.2 -46.4 12.6 43.8 74.8 56 630 X R H X S+ 0 0 38 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.912 109.3 44.2 -51.2 -52.6 12.1 40.6 72.8 57 631 X Q H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.842 112.1 55.2 -65.2 -32.6 9.2 42.1 70.8 58 632 X G H X S+ 0 0 2 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.940 109.1 45.9 -59.8 -50.8 11.2 45.3 70.4 59 633 X L H X S+ 0 0 7 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.837 109.7 55.5 -61.3 -36.4 14.1 43.3 68.9 60 634 X M H X S+ 0 0 0 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.874 106.8 49.3 -66.1 -38.9 11.7 41.4 66.7 61 635 X H H X S+ 0 0 1 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.880 109.8 53.0 -65.0 -39.2 10.4 44.7 65.2 62 636 X E H X S+ 0 0 55 -4,-1.8 4,-2.1 1,-0.2 51,-0.2 0.900 106.8 51.5 -60.3 -45.1 14.0 45.7 64.7 63 637 X L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.879 105.0 56.6 -60.7 -40.3 14.7 42.5 62.8 64 638 X M H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.902 107.8 48.6 -58.2 -41.1 11.7 43.2 60.5 65 639 X E H X S+ 0 0 16 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.911 107.7 53.4 -65.7 -43.8 13.2 46.6 59.6 66 640 X L H X S+ 0 0 51 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.864 110.9 47.7 -58.3 -38.1 16.6 45.0 58.8 67 641 X I H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.875 110.2 52.1 -69.8 -39.4 14.9 42.6 56.5 68 642 X D H X S+ 0 0 38 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.923 113.1 45.2 -59.0 -46.2 12.9 45.5 54.9 69 643 X L H X S+ 0 0 70 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.909 112.8 49.2 -66.5 -45.9 16.2 47.4 54.3 70 644 X Y H X S+ 0 0 12 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.906 111.5 50.9 -57.0 -44.0 18.0 44.3 52.9 71 645 X E H < S+ 0 0 50 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.856 112.6 46.0 -64.1 -36.9 15.1 43.6 50.6 72 646 X E H < S+ 0 0 127 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.892 118.3 40.8 -72.8 -42.2 15.1 47.2 49.3 73 647 X S H < S+ 0 0 60 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.714 125.5 34.5 -82.8 -22.2 18.9 47.4 48.8 74 648 X Q >< + 0 0 75 -4,-2.2 3,-1.9 -5,-0.2 -1,-0.2 -0.525 66.6 163.0-128.9 67.5 19.3 43.9 47.3 75 649 X P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.682 80.3 41.5 -63.2 -19.4 16.1 43.3 45.3 76 650 X S T 3 S+ 0 0 111 -3,-0.1 -5,-0.1 3,-0.0 2,-0.1 0.182 82.4 135.9-113.0 13.4 17.6 40.4 43.4 77 651 X S X - 0 0 12 -3,-1.9 3,-0.9 -7,-0.2 4,-0.1 -0.367 53.2-142.3 -62.5 140.9 19.4 38.7 46.3 78 652 X E T 3 S+ 0 0 117 1,-0.2 3,-0.5 2,-0.1 4,-0.2 0.558 96.6 70.0 -84.6 -8.9 19.0 35.0 46.4 79 653 X R T 3> S+ 0 0 4 1,-0.2 4,-1.7 2,-0.1 -1,-0.2 0.384 73.8 94.2 -81.2 1.0 18.8 35.0 50.2 80 654 X L H <> S+ 0 0 5 -3,-0.9 4,-2.5 1,-0.2 5,-0.2 0.753 73.0 60.2 -73.0 -27.5 15.3 36.7 49.9 81 655 X N H > S+ 0 0 132 -3,-0.5 4,-1.3 2,-0.2 -1,-0.2 0.925 110.4 42.3 -60.8 -46.1 13.2 33.6 50.1 82 656 X A H > S+ 0 0 6 -4,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.888 115.9 49.1 -67.2 -41.9 14.6 32.8 53.6 83 657 X F H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.883 109.6 50.0 -68.9 -42.3 14.4 36.4 54.7 84 658 X R H X S+ 0 0 100 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.826 111.9 50.8 -62.8 -34.2 10.8 36.9 53.6 85 659 X E H X S+ 0 0 75 -4,-1.3 4,-1.8 -5,-0.2 -2,-0.2 0.918 110.8 47.4 -68.6 -47.1 9.9 33.6 55.4 86 660 X L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.913 109.5 53.9 -60.8 -45.1 11.6 34.8 58.6 87 661 X R H X S+ 0 0 33 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.882 108.2 49.8 -57.2 -41.7 9.8 38.2 58.4 88 662 X T H X S+ 0 0 57 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.876 108.4 52.8 -65.5 -38.9 6.5 36.4 58.2 89 663 X Q H X S+ 0 0 5 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.882 108.4 51.3 -62.5 -39.9 7.3 34.3 61.2 90 664 X L H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.912 109.7 49.0 -64.5 -44.8 8.1 37.4 63.2 91 665 X E H X S+ 0 0 35 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.932 113.6 46.4 -58.2 -48.1 4.8 39.1 62.3 92 666 X K H < S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.753 109.9 53.5 -71.0 -26.3 2.8 35.9 63.3 93 667 X A H < S+ 0 0 8 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.835 120.0 34.2 -71.4 -34.6 4.8 35.6 66.6 94 668 X L H < S+ 0 0 4 -4,-1.7 2,-0.6 1,-0.2 -2,-0.2 0.847 118.1 50.9 -87.0 -39.1 3.9 39.2 67.4 95 669 X Y S < S- 0 0 9 -4,-3.2 -1,-0.2 -5,-0.2 5,-0.0 -0.896 73.1-149.4-116.9 105.9 0.4 39.5 65.9 96 670 X L > - 0 0 28 -2,-0.6 3,-2.4 -3,-0.1 7,-0.2 -0.202 35.6-100.0 -63.2 157.3 -2.3 37.0 66.7 97 671 X P G > S+ 0 0 103 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.826 123.4 56.5 -53.5 -35.1 -4.9 36.2 64.0 98 672 X E G 3 S+ 0 0 80 1,-0.2 3,-0.2 2,-0.1 4,-0.1 0.395 97.3 66.8 -77.5 4.5 -7.5 38.4 65.8 99 673 X M G <> + 0 0 5 -3,-2.4 4,-3.4 1,-0.1 -1,-0.2 0.183 60.9 119.4-109.8 16.1 -5.0 41.3 65.6 100 674 X E H <> S+ 0 0 117 -3,-1.1 4,-2.6 1,-0.2 5,-0.2 0.875 77.7 45.6 -45.1 -51.7 -5.1 41.7 61.7 101 675 X A H > S+ 0 0 16 421,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.865 115.3 47.1 -67.4 -37.9 -6.4 45.3 61.8 102 676 X L H > S+ 0 0 4 -3,-0.2 4,-2.6 2,-0.2 5,-0.3 0.961 112.1 50.9 -64.1 -52.8 -3.9 46.3 64.5 103 677 X K H X S+ 0 0 41 -4,-3.4 4,-2.6 1,-0.2 -2,-0.2 0.889 109.1 51.1 -49.8 -48.6 -1.1 44.6 62.6 104 678 X K H X S+ 0 0 84 -4,-2.6 4,-0.7 -5,-0.2 -1,-0.2 0.925 113.2 45.0 -59.3 -45.6 -2.0 46.4 59.4 105 679 X Q H < S+ 0 0 10 -4,-1.8 4,-0.5 2,-0.2 3,-0.4 0.922 117.5 42.3 -65.7 -47.1 -2.0 49.9 61.1 106 680 X I H >< S+ 0 0 2 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.912 114.1 49.1 -68.8 -44.8 1.2 49.4 63.1 107 681 X L H 3< S+ 0 0 23 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.526 99.1 67.4 -79.8 -4.7 3.3 47.8 60.3 108 682 X Q T 3< S+ 0 0 102 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.684 79.7 95.6 -80.6 -21.7 2.4 50.4 57.8 109 683 X I S < S- 0 0 6 -3,-1.0 41,-0.1 -4,-0.5 8,-0.1 -0.547 85.4-116.4 -66.0 129.0 4.4 53.0 59.8 110 684 X P S S+ 0 0 38 0, 0.0 4,-0.1 0, 0.0 41,-0.1 -0.196 88.5 37.0 -64.9 163.0 7.9 53.3 58.3 111 685 X N > - 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0 0 50 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.1 -0.370 63.5 -32.6 64.8-143.4 14.4 69.8 50.2 267 841 X D T 3 S+ 0 0 166 -2,-0.1 -1,-0.2 2,-0.0 2,-0.2 0.085 114.1 104.5 -99.5 24.1 10.8 68.6 50.7 268 842 X L S < S- 0 0 69 -3,-1.5 2,-0.1 1,-0.1 3,-0.0 -0.547 85.1 -93.3 -84.4 162.6 11.9 66.0 53.2 269 843 X G > - 0 0 20 -2,-0.2 4,-2.3 -122,-0.1 5,-0.2 -0.487 33.1-118.6 -72.2 151.9 11.3 66.5 56.9 270 844 X F H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.957 115.1 38.7 -56.8 -54.5 14.2 68.1 58.8 271 845 X E H > S+ 0 0 6 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.882 112.7 57.6 -65.6 -40.5 14.8 65.1 61.1 272 846 X Q H 4 S+ 0 0 24 -125,-0.2 -118,-1.7 1,-0.2 -1,-0.2 0.911 116.4 36.6 -52.8 -43.5 14.1 62.7 58.3 273 847 X A H < S+ 0 0 18 -4,-2.3 -2,-0.2 -120,-0.1 -1,-0.2 0.878 133.7 14.7 -79.5 -42.4 17.0 64.3 56.4 274 848 X F H < S+ 0 0 11 -4,-2.6 -103,-3.4 -5,-0.2 -3,-0.2 0.622 88.0 116.3-117.4 -17.4 19.6 65.1 59.0 275 849 X A B < -D 170 0C 0 -4,-1.6 -119,-2.0 -5,-0.4 -105,-0.3 -0.190 65.2-116.3 -63.4 144.8 18.9 63.4 62.3 276 850 X T B > -b 156 0B 15 -107,-2.8 4,-3.1 -121,-0.2 -119,-0.2 -0.582 26.1-125.3 -66.4 140.3 21.2 60.8 63.8 277 851 X R H > S+ 0 0 44 -121,-2.2 4,-3.0 -2,-0.2 5,-0.2 0.897 113.3 54.1 -59.4 -39.9 19.4 57.4 64.0 278 852 X N H > S+ 0 0 115 -122,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.949 113.7 40.9 -55.1 -50.0 20.1 57.3 67.7 279 853 X F H > S+ 0 0 29 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.844 113.6 54.8 -68.1 -35.4 18.5 60.8 68.1 280 854 X F H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.943 109.6 46.0 -60.6 -50.2 15.7 59.8 65.7 281 855 X N H X S+ 0 0 45 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.822 112.1 51.5 -63.9 -35.1 14.8 56.7 67.7 282 856 X T H X S+ 0 0 60 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.879 110.1 49.1 -68.1 -42.3 14.9 58.7 71.0 283 857 X L H X S+ 0 0 16 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.946 109.9 51.6 -62.7 -48.1 12.6 61.3 69.5 284 858 X V H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.909 114.6 41.5 -56.0 -47.8 10.1 58.7 68.3 285 859 X S H X S+ 0 0 42 -4,-1.8 4,-1.7 -171,-0.3 -1,-0.2 0.794 115.5 48.9 -77.3 -28.5 9.8 57.0 71.6 286 860 X D H X S+ 0 0 81 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.883 107.9 54.4 -76.2 -39.4 9.7 60.1 73.7 287 861 X R H X S+ 0 0 1 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.928 111.5 46.1 -55.9 -45.6 7.0 61.7 71.6 288 862 X L H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.886 111.7 50.5 -66.9 -41.8 4.8 58.7 72.1 289 863 X S H X S+ 0 0 50 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.932 114.4 45.1 -56.4 -48.0 5.5 58.6 75.9 290 864 X L H X S+ 0 0 57 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.881 110.3 51.6 -70.5 -40.1 4.6 62.2 76.2 291 865 X M H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.887 107.9 54.9 -62.0 -38.7 1.4 62.0 74.0 292 866 X E H X S+ 0 0 57 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.893 108.4 47.6 -60.8 -41.5 0.3 59.1 76.2 293 867 X N H X S+ 0 0 91 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.880 111.3 51.2 -66.6 -40.3 0.7 61.3 79.3 294 868 X T H X S+ 0 0 3 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.943 111.3 46.7 -58.7 -50.1 -1.2 64.1 77.7 295 869 X M H >X S+ 0 0 6 -4,-2.7 4,-1.1 1,-0.2 3,-0.5 0.906 111.9 51.4 -61.4 -42.7 -4.1 61.8 76.7 296 870 X L H 3< S+ 0 0 94 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.871 105.1 57.4 -59.0 -39.6 -4.1 60.4 80.2 297 871 X L H 3< S+ 0 0 60 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.782 105.7 49.4 -62.9 -30.8 -4.3 63.9 81.6 298 872 X T H X< S+ 0 0 2 -4,-1.2 3,-1.6 -3,-0.5 -1,-0.2 0.729 86.0 112.5 -81.1 -23.6 -7.5 64.7 79.6 299 873 X E T 3< S- 0 0 53 -4,-1.1 -3,-0.0 -3,-0.4 181,-0.0 -0.280 94.1 -11.8 -58.1 126.7 -9.2 61.5 80.8 300 874 X S T 3 S+ 0 0 120 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.684 84.4 173.9 56.2 24.0 -12.2 62.0 83.1 301 875 X F < - 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0 0 33 -2,-0.4 4,-1.8 124,-0.2 3,-0.2 -0.445 69.8-122.1 -77.4 154.6 -0.7 89.9 72.7 344 918 X S H > S+ 0 0 69 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.841 112.9 61.4 -63.3 -35.7 1.5 93.0 73.3 345 919 X K H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 105.7 45.6 -53.1 -47.5 -1.7 94.9 74.3 346 920 X S H > S+ 0 0 0 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.894 113.5 49.5 -66.1 -41.8 -2.3 92.4 77.2 347 921 X I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.928 111.3 49.5 -62.6 -45.8 1.4 92.7 78.2 348 922 X D H X S+ 0 0 60 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.926 110.6 49.7 -58.9 -48.7 1.2 96.5 78.1 349 923 X F H X S+ 0 0 18 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.920 111.2 49.5 -54.1 -49.4 -1.9 96.6 80.2 350 924 X F H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.907 112.2 47.6 -57.3 -45.0 -0.3 94.2 82.8 351 925 X L H >< S+ 0 0 33 -4,-2.4 3,-1.1 1,-0.2 4,-0.3 0.864 107.3 56.3 -66.9 -38.0 2.8 96.4 83.0 352 926 X N H 3< S+ 0 0 132 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.701 118.2 34.2 -62.8 -23.2 0.7 99.6 83.3 353 927 X N T XX S+ 0 0 31 -4,-1.0 4,-1.5 -3,-0.6 3,-0.6 0.131 83.6 118.3-116.9 15.6 -0.9 98.0 86.4 354 928 X L H <> + 0 0 14 -3,-1.1 4,-2.5 1,-0.2 5,-0.2 0.854 69.5 57.0 -56.8 -44.1 2.1 96.1 87.7 355 929 X T H 3> S+ 0 0 96 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.888 105.8 52.1 -54.6 -43.0 2.4 97.9 91.1 356 930 X T H <> S+ 0 0 35 -3,-0.6 4,-1.0 1,-0.2 -1,-0.2 0.891 110.3 48.2 -60.8 -43.6 -1.2 96.9 91.9 357 931 X F H <>S+ 0 0 0 -4,-1.5 5,-1.8 -7,-0.2 3,-0.3 0.906 112.8 47.8 -62.4 -45.1 -0.5 93.2 91.1 358 932 X I H ><5S+ 0 0 48 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.890 106.8 56.2 -65.9 -41.3 2.7 93.3 93.2 359 933 X D H 3<5S+ 0 0 124 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.761 104.6 54.6 -62.7 -28.0 1.0 94.9 96.2 360 934 X N T 3<5S- 0 0 30 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.085 132.0 -88.4 -94.2 20.6 -1.6 92.1 96.2 361 935 X G T < 5 + 0 0 30 -3,-1.8 101,-0.3 1,-0.2 -3,-0.2 0.603 57.3 176.7 91.7 15.4 1.2 89.5 96.5 362 936 X L < + 0 0 8 -5,-1.8 -1,-0.2 1,-0.2 101,-0.2 -0.317 4.7 169.1 -52.6 124.2 2.2 88.6 92.9 363 937 X T + 0 0 52 99,-3.2 58,-1.7 1,-0.3 2,-0.3 0.643 54.1 27.6-111.5 -23.8 5.1 86.1 93.1 364 938 X E E -hi 421 463D 2 98,-1.6 100,-1.8 56,-0.2 2,-0.4 -0.999 47.8-158.7-150.3 143.4 5.5 84.8 89.5 365 939 X I E -hi 422 464D 0 56,-2.9 58,-2.6 -2,-0.3 2,-0.4 -0.985 21.6-172.4-117.6 132.3 5.1 85.6 85.8 366 940 X A E -hi 423 465D 0 98,-3.0 100,-2.5 -2,-0.4 2,-0.4 -0.966 5.8-174.0-128.8 139.7 5.0 82.7 83.4 367 941 X I E -hi 424 466D 1 56,-2.4 58,-2.7 -2,-0.4 59,-0.8 -0.999 21.7-158.4-136.0 141.6 4.9 82.6 79.5 368 942 X S E S+ 0 0 2 98,-2.0 99,-0.1 -2,-0.4 59,-0.1 0.588 83.2 82.0 -86.1 -15.1 4.5 79.8 77.0 369 943 X D E S+ 0 0 46 97,-0.4 -1,-0.2 57,-0.1 55,-0.1 0.421 87.9 61.4 -77.6 1.9 6.2 81.7 74.2 370 944 X L E S- 0 0 2 -3,-0.5 56,-1.7 53,-0.1 2,-0.7 -0.994 84.0-128.2-125.3 139.4 9.6 80.7 75.5 371 945 X P E >> -h 426 0D 16 0, 0.0 4,-2.4 0, 0.0 3,-1.9 -0.773 9.6-159.6 -89.6 114.4 10.9 77.1 75.8 372 946 X Y H 3> S+ 0 0 48 54,-2.0 4,-1.7 -2,-0.7 5,-0.3 0.818 89.8 65.2 -59.7 -33.3 12.2 76.2 79.3 373 947 X D H 34 S+ 0 0 58 53,-0.5 -1,-0.3 1,-0.2 54,-0.1 0.610 116.3 27.9 -67.2 -13.3 14.2 73.2 77.9 374 948 X I H <4 S+ 0 0 39 -3,-1.9 4,-0.2 -140,-0.0 -2,-0.2 0.767 134.2 21.8-108.9 -47.0 16.3 75.7 76.0 375 949 X V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.1 -3,-0.2 0.263 83.6 102.8-117.0 9.4 16.4 79.0 77.8 376 950 X Q H X S+ 0 0 100 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.1 0.872 90.3 43.8 -67.6 -36.9 15.5 78.5 81.5 377 951 X Q H > S+ 0 0 117 -5,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.909 114.3 51.6 -69.9 -41.0 19.1 78.7 82.7 378 952 X E H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.822 106.4 53.8 -64.6 -34.4 19.6 81.8 80.4 379 953 X I H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.919 108.6 49.7 -62.2 -44.1 16.5 83.4 81.9 380 954 X S H X S+ 0 0 38 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.828 107.8 54.3 -64.1 -33.5 18.1 82.9 85.3 381 955 X Q H <>S+ 0 0 32 -4,-1.8 5,-1.2 2,-0.2 -1,-0.2 0.923 107.9 49.6 -62.8 -47.1 21.3 84.5 83.9 382 956 X F H ><5S+ 0 0 12 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.935 111.8 47.8 -55.5 -50.3 19.3 87.5 82.9 383 957 X L H 3<5S+ 0 0 49 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.835 109.5 53.0 -63.8 -35.8 17.6 87.8 86.3 384 958 X Q T 3<5S- 0 0 135 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.373 117.1-113.8 -80.4 3.7 21.0 87.5 88.1 385 959 X G T < 5S+ 0 0 51 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.300 72.4 136.8 82.2 -10.4 22.4 90.3 85.9 386 960 X S < - 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