==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUN-11 2YL9 . COMPND 2 MOLECULE: BETA-N-ACETYLHEXOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR B.PLUVINAGE,M.A.HIGGINS,D.W.ABBOTT,C.ROBB,A.B.DALIA,L.DENG, . 1641 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1159 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 194 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 3.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 9 0.5 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 . 148 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 152 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 529 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.7 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 5 1 4 9 2 3 5 1 4 5 5 6 1 3 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 9 14 2 4 8 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 . 8 7 4 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 ANTIPARALLEL BRIDGES PER LADDER . 12 0 0 0 0 0 0 0 0 4 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 1 623 A G 0 0 114 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 30.1 -27.3 -6.2 -0.2 2 624 A S - 0 0 58 1,-0.0 3,-0.4 3,-0.0 1375,-0.0 0.103 360.0 -80.0 -84.2-165.4 -25.3 -5.7 -3.3 3 625 A H S >> S+ 0 0 102 1,-0.2 3,-0.7 2,-0.1 4,-0.6 0.844 113.5 69.0 -60.2 -42.0 -25.5 -6.6 -7.0 4 626 A M H 3> S+ 0 0 8 1,-0.2 4,-2.3 2,-0.1 5,-0.2 0.713 75.7 80.0 -62.2 -32.0 -24.2 -10.2 -6.6 5 627 A E H 3> S+ 0 0 136 -3,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.844 94.7 44.5 -49.6 -51.0 -27.0 -11.9 -4.6 6 628 A K H X4 S+ 0 0 82 -3,-0.7 3,-1.0 1,-0.2 -1,-0.2 0.928 117.0 44.4 -61.8 -49.1 -29.4 -12.5 -7.6 7 629 A L H 3< S+ 0 0 26 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.762 104.8 63.7 -68.2 -27.7 -26.7 -13.8 -10.0 8 630 A A H 3< S+ 0 0 45 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.669 87.3 95.5 -69.6 -18.1 -25.2 -16.0 -7.2 9 631 A K S << S- 0 0 38 -3,-1.0 2,-0.4 -4,-0.6 314,-0.3 -0.310 85.2-101.2 -72.9 157.9 -28.4 -18.0 -7.1 10 632 A N E -a 323 0A 26 312,-2.7 314,-2.4 30,-0.1 2,-0.6 -0.667 26.5-167.1 -86.0 131.8 -28.9 -21.2 -9.0 11 633 A K E -a 324 0A 6 -2,-0.4 29,-2.7 312,-0.2 30,-1.9 -0.951 22.2-175.0-116.6 106.1 -30.9 -21.3 -12.2 12 634 A V E -ab 325 41A 0 312,-2.7 314,-3.0 -2,-0.6 2,-0.5 -0.873 24.4-161.0-117.7 134.1 -31.6 -24.9 -13.0 13 635 A I E -ab 326 42A 0 28,-1.6 30,-2.3 -2,-0.4 2,-0.5 -0.957 19.1-152.4-105.1 125.2 -33.2 -26.8 -15.9 14 636 A S E -ab 327 43A 0 312,-3.2 314,-2.5 -2,-0.5 2,-0.4 -0.850 9.3-169.1-102.1 131.6 -34.4 -30.3 -15.0 15 637 A I E -ab 328 44A 0 28,-2.5 30,-1.8 -2,-0.5 2,-1.6 -0.982 21.0-137.4-121.2 126.8 -34.6 -33.0 -17.7 16 638 A D E > + b 0 45A 2 312,-1.2 4,-0.9 -2,-0.4 30,-0.1 -0.625 41.8 152.8 -84.1 82.8 -36.3 -36.4 -17.0 17 639 A A T 4 + 0 0 1 -2,-1.6 5,-0.2 28,-1.0 35,-0.2 0.058 60.5 71.7 -99.4 22.1 -33.7 -38.7 -18.6 18 640 A G T 4 S+ 0 0 0 29,-0.1 -1,-0.1 33,-0.1 32,-0.1 0.799 105.2 33.2 -97.5 -47.1 -34.6 -41.6 -16.3 19 641 A R T 4 S+ 0 0 21 30,-0.1 2,-0.3 1,-0.1 -2,-0.2 0.884 129.7 34.1 -72.3 -41.6 -38.0 -42.4 -17.8 20 642 A K S < S- 0 0 7 -4,-0.9 2,-0.3 30,-0.1 -1,-0.1 -0.877 85.1-114.3-121.5 146.8 -37.0 -41.4 -21.4 21 643 A Y - 0 0 25 -2,-0.3 2,-0.4 68,-0.2 -3,-0.1 -0.605 26.9-170.5 -80.4 136.7 -33.7 -41.7 -23.3 22 644 A F - 0 0 5 -2,-0.3 2,-0.1 -5,-0.2 -5,-0.0 -0.997 21.7-124.5-125.6 133.2 -31.8 -38.6 -24.3 23 645 A T > - 0 0 49 -2,-0.4 4,-2.1 1,-0.1 3,-0.3 -0.393 24.9-113.4 -72.2 152.3 -28.8 -38.6 -26.7 24 646 A L H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.880 120.0 50.0 -49.6 -42.9 -25.5 -37.1 -25.6 25 647 A N H > S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.834 106.0 54.7 -69.2 -35.0 -26.0 -34.5 -28.3 26 648 A Q H > S+ 0 0 56 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.916 112.2 44.0 -61.4 -44.0 -29.6 -33.6 -27.2 27 649 A L H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.846 109.3 57.3 -70.3 -35.7 -28.3 -33.0 -23.7 28 650 A K H X S+ 0 0 34 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.879 107.2 48.6 -59.2 -40.3 -25.4 -31.0 -25.0 29 651 A R H X S+ 0 0 126 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.814 109.7 51.2 -73.0 -32.1 -27.8 -28.7 -26.8 30 652 A I H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.920 111.5 48.6 -65.1 -45.3 -29.8 -28.3 -23.7 31 653 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.888 112.7 48.2 -59.6 -42.7 -26.6 -27.4 -21.8 32 654 A D H X S+ 0 0 38 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.926 113.6 45.7 -64.6 -47.6 -25.7 -24.9 -24.6 33 655 A K H X S+ 0 0 38 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.862 111.9 53.2 -64.4 -37.5 -29.1 -23.3 -24.6 34 656 A A H X>S+ 0 0 0 -4,-2.6 5,-2.7 2,-0.2 4,-1.3 0.904 110.8 46.2 -62.0 -43.3 -29.0 -23.2 -20.8 35 657 A S H <5S+ 0 0 9 -4,-2.2 326,-0.4 3,-0.2 -2,-0.2 0.893 114.1 48.6 -65.9 -41.1 -25.6 -21.4 -20.9 36 658 A E H <5S+ 0 0 60 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.887 112.5 47.1 -65.7 -43.3 -26.9 -19.0 -23.6 37 659 A L H <5S- 0 0 1 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.713 122.0-104.7 -74.4 -22.4 -30.1 -18.2 -21.6 38 660 A G T <5 + 0 0 2 -4,-1.3 320,-1.8 1,-0.2 -3,-0.2 0.581 65.0 151.6 109.6 14.4 -28.1 -17.7 -18.4 39 661 A Y < - 0 0 6 -5,-2.7 -1,-0.2 -6,-0.2 -27,-0.2 -0.253 35.1-152.3 -68.1 162.3 -28.9 -20.8 -16.4 40 662 A S + 0 0 24 -29,-2.7 70,-3.1 1,-0.3 2,-0.3 0.722 68.6 17.5-108.6 -33.3 -26.3 -22.1 -13.9 41 663 A D E -bc 12 110A 17 -30,-1.9 -28,-1.6 68,-0.3 2,-0.5 -0.947 55.8-139.0-140.5 157.9 -27.0 -25.8 -13.8 42 664 A V E -bc 13 111A 5 68,-2.5 70,-2.9 -2,-0.3 2,-0.7 -0.979 19.5-150.7-116.9 115.0 -28.6 -28.7 -15.6 43 665 A H E -bc 14 112A 0 -30,-2.3 -28,-2.5 -2,-0.5 2,-0.6 -0.777 17.2-169.8 -83.0 118.0 -30.4 -31.1 -13.3 44 666 A L E -bc 15 113A 0 68,-2.4 70,-1.7 -2,-0.7 2,-0.5 -0.896 13.4-155.1-119.6 103.1 -30.3 -34.5 -15.0 45 667 A L E +bc 16 114A 1 -30,-1.8 -28,-1.0 -2,-0.6 3,-0.2 -0.640 24.2 163.0 -70.1 120.7 -32.4 -37.4 -13.7 46 668 A L E S+ 0 0 0 68,-2.4 6,-2.9 -2,-0.5 2,-0.6 0.632 71.5 46.9-111.6 -29.9 -30.6 -40.6 -14.8 47 669 A G E S+Dc 51 115A 1 67,-2.6 69,-3.2 4,-0.2 -1,-0.3 -0.925 72.0 127.4-113.5 100.5 -32.3 -42.9 -12.3 48 670 A N S S- 0 0 1 2,-2.5 2,-2.2 -2,-0.6 73,-0.2 -0.745 93.4 -41.9-156.5 102.2 -36.0 -42.2 -12.4 49 671 A D S S+ 0 0 13 71,-2.6 74,-2.9 -2,-0.2 75,-0.4 -0.522 140.8 45.5 66.4 -74.4 -38.3 -45.2 -13.0 50 672 A G S S- 0 0 2 -2,-2.2 -2,-2.5 72,-0.2 2,-0.6 -0.519 86.5-132.1 -83.3 160.6 -35.8 -46.4 -15.7 51 673 A L B +D 47 0A 1 25,-0.3 -4,-0.2 -4,-0.2 29,-0.2 -0.905 28.1 174.8-116.8 101.4 -32.1 -46.4 -15.0 52 674 A R + 0 0 2 -6,-2.9 40,-2.8 -2,-0.6 2,-0.3 -0.188 49.6 79.1-107.1 40.9 -30.4 -44.8 -18.0 53 675 A F B -k 92 0B 0 38,-0.3 2,-0.4 -7,-0.1 40,-0.2 -0.935 50.0-174.7-150.8 121.7 -26.8 -44.7 -16.9 54 676 A L - 0 0 25 38,-2.7 40,-0.3 -2,-0.3 2,-0.1 -0.968 14.9-145.1-116.6 132.4 -24.2 -47.4 -16.8 55 677 A L - 0 0 9 -2,-0.4 3,-0.2 38,-0.1 111,-0.0 -0.460 28.4-113.4 -81.2 164.5 -20.6 -47.0 -15.4 56 678 A D S S+ 0 0 94 1,-0.3 2,-0.6 -2,-0.1 -1,-0.1 0.921 112.1 37.6 -65.1 -44.3 -17.7 -48.9 -17.1 57 679 A D + 0 0 95 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 -0.921 64.8 170.0-111.2 108.2 -17.3 -51.0 -14.0 58 680 A M + 0 0 1 -2,-0.6 2,-0.2 -3,-0.2 -1,-0.1 0.032 23.1 146.3-105.6 24.1 -20.7 -51.9 -12.5 59 681 A T - 0 0 44 13,-0.1 2,-0.4 7,-0.0 9,-0.2 -0.440 31.2-161.2 -61.6 128.3 -19.4 -54.5 -10.0 60 682 A I E -L 67 0C 2 7,-2.0 7,-3.1 -2,-0.2 2,-0.6 -0.959 11.3-159.9-118.4 135.9 -21.5 -54.4 -6.8 61 683 A T E +L 66 0C 97 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.946 35.8 132.1-116.8 109.9 -20.4 -55.8 -3.4 62 684 A A E > +L 65 0C 10 3,-2.1 3,-1.0 -2,-0.6 96,-0.1 -0.986 53.3 21.2-159.1 145.8 -23.4 -56.5 -1.1 63 685 A N T 3 S- 0 0 51 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.832 124.5 -61.7 64.1 37.1 -24.8 -59.2 1.3 64 686 A G T 3 S+ 0 0 93 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.620 124.1 80.8 66.4 13.4 -21.5 -60.9 1.7 65 687 A K E < S-L 62 0C 110 -3,-1.0 -3,-2.1 2,-0.0 2,-0.3 -0.905 72.3-125.7-139.2 167.1 -21.4 -61.7 -2.0 66 688 A T E -L 61 0C 94 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.912 7.7-144.7-119.1 147.5 -20.4 -59.8 -5.2 67 689 A Y E -L 60 0C 17 -7,-3.1 -7,-2.0 -2,-0.3 5,-0.1 -0.954 31.5-118.4-112.7 115.5 -22.4 -59.2 -8.4 68 690 A A > - 0 0 47 -2,-0.6 4,-2.4 -9,-0.2 3,-0.4 -0.165 18.4-119.5 -58.5 142.3 -20.2 -59.3 -11.5 69 691 A S H > S+ 0 0 18 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.867 112.9 45.4 -48.9 -51.0 -20.1 -56.1 -13.6 70 692 A D H > S+ 0 0 117 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.829 112.6 52.1 -65.4 -34.3 -21.4 -57.7 -16.8 71 693 A D H > S+ 0 0 105 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.868 111.1 47.7 -68.0 -38.3 -24.2 -59.4 -14.8 72 694 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.909 111.1 50.7 -67.6 -45.5 -25.2 -56.1 -13.3 73 695 A K H X S+ 0 0 53 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.923 110.5 47.3 -58.7 -51.0 -25.2 -54.2 -16.6 74 696 A K H X S+ 0 0 128 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.883 111.5 51.6 -60.8 -42.4 -27.4 -56.7 -18.4 75 697 A A H X S+ 0 0 3 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.853 111.7 46.7 -63.4 -38.6 -29.9 -56.9 -15.6 76 698 A I H X S+ 0 0 1 -4,-1.8 4,-2.9 2,-0.2 -25,-0.3 0.926 110.6 51.5 -70.1 -46.5 -30.2 -53.0 -15.5 77 699 A I H X S+ 0 0 51 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.905 112.2 48.2 -53.8 -43.1 -30.6 -52.9 -19.3 78 700 A E H X S+ 0 0 64 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.843 110.8 50.9 -67.6 -35.3 -33.4 -55.5 -18.9 79 701 A G H X S+ 0 0 1 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.932 111.0 46.7 -66.3 -48.9 -35.0 -53.5 -16.1 80 702 A T H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.905 114.8 47.7 -58.9 -44.9 -35.1 -50.2 -18.0 81 703 A K H < S+ 0 0 90 -4,-2.2 4,-0.4 -5,-0.3 -1,-0.2 0.823 107.7 56.4 -65.8 -33.5 -36.5 -52.1 -21.1 82 704 A A H < S+ 0 0 67 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.870 113.2 40.7 -65.4 -38.6 -39.0 -53.7 -18.8 83 705 A Y H < S- 0 0 54 -4,-2.0 -2,-0.2 1,-0.2 2,-0.2 0.933 144.3 -19.3 -70.2 -50.7 -40.2 -50.3 -17.7 84 706 A Y < - 0 0 47 -4,-3.1 2,-1.7 -5,-0.2 -1,-0.2 -0.753 54.2-145.7-164.8 112.3 -39.9 -48.8 -21.3 85 707 A D - 0 0 95 -4,-0.4 -4,-0.1 -2,-0.2 5,-0.1 -0.621 28.0-155.5 -81.4 84.9 -38.0 -50.1 -24.3 86 708 A D > - 0 0 4 -2,-1.7 3,-1.1 3,-0.2 248,-0.1 -0.476 11.5-151.7 -66.4 119.3 -37.1 -46.8 -25.8 87 709 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.641 95.0 60.6 -65.9 -14.3 -36.5 -47.1 -29.5 88 710 A N T 3 S- 0 0 106 1,-0.3 2,-0.2 -67,-0.1 -2,-0.1 0.649 124.0 -55.7 -86.3 -18.7 -34.1 -44.1 -29.3 89 711 A G < - 0 0 19 -3,-1.1 -1,-0.3 1,-0.1 -3,-0.2 -0.818 35.6-127.9 154.6 167.9 -31.7 -45.8 -26.8 90 712 A T S S- 0 0 33 1,-0.3 2,-0.3 -2,-0.2 -4,-0.1 0.853 76.0 -5.8-107.3 -59.4 -31.4 -47.5 -23.4 91 713 A A - 0 0 19 -70,-0.1 -1,-0.3 -39,-0.0 -38,-0.3 -1.000 61.8-114.8-148.4 142.6 -28.7 -46.0 -21.2 92 714 A L B -k 53 0B 6 -40,-2.8 -38,-2.7 -2,-0.3 2,-0.1 -0.464 34.9-126.5 -74.1 148.4 -26.0 -43.4 -21.3 93 715 A T > - 0 0 62 -40,-0.2 4,-2.1 -2,-0.1 5,-0.2 -0.420 20.3-110.0 -90.6 168.0 -22.4 -44.6 -21.0 94 716 A Q H > S+ 0 0 50 -40,-0.3 4,-2.5 1,-0.2 5,-0.2 0.919 119.5 52.5 -60.7 -45.0 -19.7 -43.4 -18.6 95 717 A A H > S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.814 110.0 48.8 -62.5 -33.5 -17.8 -41.8 -21.4 96 718 A E H > S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 113.6 43.9 -72.7 -47.6 -20.9 -39.9 -22.6 97 719 A V H X S+ 0 0 2 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.837 113.1 53.9 -66.4 -34.8 -21.8 -38.6 -19.1 98 720 A T H X S+ 0 0 47 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.932 109.5 46.8 -62.6 -48.1 -18.1 -37.7 -18.5 99 721 A E H X S+ 0 0 97 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.857 109.1 56.0 -62.6 -37.5 -18.0 -35.6 -21.7 100 722 A L H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.912 107.7 48.2 -60.2 -44.6 -21.3 -33.9 -20.8 101 723 A I H X S+ 0 0 13 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.922 114.7 44.1 -63.0 -46.8 -19.8 -32.8 -17.5 102 724 A E H X S+ 0 0 116 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.872 113.8 51.0 -67.3 -37.9 -16.6 -31.4 -19.0 103 725 A Y H < S+ 0 0 64 -4,-2.6 4,-0.3 2,-0.2 -2,-0.2 0.906 112.4 46.4 -62.2 -45.0 -18.6 -29.8 -21.9 104 726 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 3,-1.4 0.881 108.2 56.5 -65.4 -39.9 -20.9 -28.1 -19.3 105 727 A K H ><5S+ 0 0 64 -4,-2.3 3,-1.1 1,-0.3 -1,-0.2 0.811 100.8 58.5 -61.0 -32.9 -17.9 -27.0 -17.2 106 728 A S T 3<5S+ 0 0 72 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.609 110.1 43.8 -72.6 -13.0 -16.5 -25.2 -20.3 107 729 A K T < 5S- 0 0 30 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.151 120.4-103.8-116.3 16.4 -19.7 -23.1 -20.5 108 730 A D T < 5S+ 0 0 64 -3,-1.1 2,-0.5 1,-0.2 -3,-0.2 0.890 77.4 138.9 57.7 44.3 -20.0 -22.3 -16.7 109 731 A I < - 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