==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JUN-12 4AZI . COMPND 2 MOLECULE: BETA-N-ACETYLHEXOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR B.PLUVINAGE,K.A.STUBBS,D.J.VOCADLO,A.B.BORASTON . 818 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33302.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 593 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 2.9 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 67 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 276 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 0 3 4 1 2 3 0 1 4 4 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 5 3 2 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 PARALLEL BRIDGES PER LADDER . 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 0 0 2 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 77 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.4 -36.1 9.2 -2.6 2 624 A S > - 0 0 59 1,-0.1 4,-2.5 3,-0.0 5,-0.2 -0.078 360.0-100.8 -63.2 163.4 -39.0 7.4 -4.4 3 625 A H H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.876 126.6 49.4 -47.3 -43.9 -40.0 7.8 -8.0 4 626 A M H > S+ 0 0 151 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.888 108.5 51.0 -66.4 -44.2 -42.7 10.2 -6.9 5 627 A E H > S+ 0 0 125 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.890 110.0 50.7 -62.2 -41.6 -40.4 12.3 -4.7 6 628 A K H >< S+ 0 0 55 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.927 110.9 46.6 -62.8 -47.6 -37.9 12.8 -7.5 7 629 A L H 3< S+ 0 0 33 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.732 107.3 59.3 -69.8 -22.5 -40.5 13.9 -10.1 8 630 A A H 3< S+ 0 0 81 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.621 84.8 100.4 -82.2 -14.1 -42.0 16.3 -7.5 9 631 A K S << S- 0 0 42 -3,-1.0 314,-0.3 -4,-0.6 2,-0.3 -0.386 84.9-101.9 -66.9 149.7 -38.7 18.2 -7.1 10 632 A N E -a 323 0A 41 312,-3.0 314,-2.4 30,-0.1 2,-0.5 -0.568 30.0-166.4 -71.5 132.6 -38.3 21.5 -9.0 11 633 A K E -a 324 0A 3 -2,-0.3 29,-2.8 312,-0.2 30,-2.0 -0.965 21.3-174.9-119.7 111.3 -36.2 21.4 -12.2 12 634 A V E -ab 325 41A 0 312,-2.9 314,-2.8 -2,-0.5 2,-0.5 -0.871 27.3-162.3-121.9 136.1 -35.5 25.0 -13.1 13 635 A I E -ab 326 42A 0 28,-1.7 30,-3.2 -2,-0.4 2,-0.4 -0.977 20.9-153.4-107.4 124.7 -33.8 26.9 -16.0 14 636 A S E -ab 327 43A 0 312,-3.3 314,-2.4 -2,-0.5 2,-0.4 -0.860 8.3-167.6-101.6 136.6 -32.8 30.4 -15.1 15 637 A I E -ab 328 44A 0 28,-2.7 2,-1.9 -2,-0.4 30,-1.8 -0.984 19.9-138.9-127.7 119.1 -32.5 33.2 -17.7 16 638 A D E > + b 0 45A 2 312,-2.0 4,-0.8 -2,-0.4 30,-0.1 -0.544 40.2 154.0 -76.1 79.4 -30.9 36.6 -17.0 17 639 A A T 4 + 0 0 3 -2,-1.9 5,-0.2 28,-0.9 35,-0.2 0.097 61.1 76.0 -92.8 19.3 -33.4 38.8 -18.8 18 640 A G T 4 S+ 0 0 0 29,-0.1 30,-0.2 33,-0.1 -1,-0.2 0.863 102.6 30.2 -90.7 -53.1 -32.4 41.6 -16.5 19 641 A R T 4 S+ 0 0 17 30,-0.1 2,-0.4 1,-0.1 -2,-0.1 0.847 129.5 38.8 -72.3 -33.3 -29.0 42.5 -18.0 20 642 A K S < S- 0 0 7 -4,-0.8 2,-0.3 30,-0.1 -1,-0.1 -0.927 83.5-116.1-127.9 141.4 -30.1 41.5 -21.5 21 643 A Y - 0 0 26 -2,-0.4 2,-0.4 68,-0.2 -3,-0.1 -0.571 27.3-174.0 -76.6 132.4 -33.4 41.8 -23.5 22 644 A F - 0 0 6 -2,-0.3 2,-0.1 -5,-0.2 -5,-0.0 -0.995 22.7-127.2-121.0 133.6 -35.2 38.6 -24.5 23 645 A T > - 0 0 48 -2,-0.4 4,-1.9 1,-0.1 3,-0.4 -0.431 25.0-112.0 -74.2 155.6 -38.2 38.8 -26.8 24 646 A L H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.892 120.0 53.7 -51.9 -43.3 -41.4 37.1 -25.7 25 647 A N H > S+ 0 0 114 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.862 105.6 53.2 -62.1 -35.5 -41.0 34.6 -28.6 26 648 A Q H > S+ 0 0 53 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.911 111.7 45.6 -63.7 -40.7 -37.4 33.8 -27.4 27 649 A L H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.882 108.5 55.2 -72.9 -37.9 -38.8 33.0 -23.9 28 650 A K H X S+ 0 0 35 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.902 106.8 52.3 -57.6 -43.8 -41.7 31.0 -25.2 29 651 A R H X S+ 0 0 125 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.861 107.9 50.6 -60.3 -40.0 -39.1 28.8 -27.1 30 652 A I H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.921 110.0 50.4 -60.0 -46.8 -37.2 28.3 -23.8 31 653 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.921 111.0 50.1 -54.2 -48.6 -40.6 27.3 -22.1 32 654 A D H X S+ 0 0 46 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.903 112.1 45.8 -54.4 -51.2 -41.1 24.8 -25.1 33 655 A K H X S+ 0 0 38 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.860 113.1 50.3 -65.0 -38.0 -37.6 23.3 -24.6 34 656 A A H X>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 4,-1.0 0.909 110.2 50.7 -64.8 -42.8 -38.1 23.1 -20.9 35 657 A S H <5S+ 0 0 9 -4,-2.8 326,-0.5 1,-0.2 -2,-0.2 0.857 112.1 46.2 -63.0 -38.1 -41.4 21.4 -21.3 36 658 A E H <5S+ 0 0 68 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.861 113.5 48.2 -73.8 -34.8 -40.0 18.8 -23.7 37 659 A L H <5S- 0 0 1 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.575 118.8-108.8 -85.6 -10.8 -36.9 18.1 -21.6 38 660 A G T <5 + 0 0 2 -4,-1.0 320,-1.8 1,-0.2 -3,-0.2 0.658 63.0 150.6 92.4 19.6 -39.1 17.7 -18.4 39 661 A Y < - 0 0 5 -5,-2.3 -1,-0.2 318,-0.2 -27,-0.2 -0.249 36.4-150.7 -65.9 165.5 -38.2 20.8 -16.4 40 662 A S + 0 0 28 -29,-2.8 70,-2.9 1,-0.3 2,-0.3 0.615 67.1 24.9-112.9 -21.1 -40.9 22.2 -14.1 41 663 A D E -bc 12 110A 19 -30,-2.0 -28,-1.7 68,-0.3 2,-0.5 -0.987 53.5-141.6-147.0 151.3 -40.1 25.9 -14.0 42 664 A V E -bc 13 111A 3 68,-2.6 70,-3.1 -2,-0.3 2,-0.7 -0.984 21.8-151.5-110.7 121.2 -38.5 28.9 -15.8 43 665 A H E -bc 14 112A 0 -30,-3.2 -28,-2.7 -2,-0.5 2,-0.6 -0.852 16.8-167.4 -92.4 118.0 -36.7 31.3 -13.5 44 666 A L E -bc 15 113A 0 68,-3.0 70,-2.6 -2,-0.7 2,-0.5 -0.897 14.6-156.1-119.8 107.1 -36.8 34.7 -15.0 45 667 A L E +bc 16 114A 0 -30,-1.8 -28,-0.9 -2,-0.6 70,-0.2 -0.680 22.6 164.1 -74.6 123.3 -34.7 37.6 -13.8 46 668 A L E S+ 0 0 0 68,-3.4 6,-2.6 -2,-0.5 2,-0.6 0.655 72.0 42.6-112.4 -36.9 -36.5 40.8 -14.8 47 669 A G E S+Dc 51 115A 2 67,-1.8 69,-2.5 4,-0.2 -1,-0.4 -0.974 70.4 128.3-109.5 114.8 -34.7 43.2 -12.5 48 670 A N S S- 0 0 1 2,-2.9 2,-1.9 -2,-0.6 73,-0.2 -0.578 95.4 -42.8-167.2 93.2 -30.9 42.4 -12.5 49 671 A D S S+ 0 0 14 71,-3.3 74,-2.9 97,-0.2 75,-0.3 -0.589 141.3 48.9 70.3 -77.6 -28.8 45.4 -13.2 50 672 A G S S- 0 0 1 -2,-1.9 -2,-2.9 72,-0.2 2,-0.5 -0.460 83.9-138.1 -75.1 159.9 -31.2 46.4 -15.9 51 673 A L B +D 47 0A 3 25,-0.3 -4,-0.2 -4,-0.2 29,-0.2 -0.893 25.8 174.0-123.3 100.3 -34.9 46.5 -15.2 52 674 A R + 0 0 3 -6,-2.6 40,-2.7 -2,-0.5 2,-0.3 -0.248 48.7 79.4-109.3 41.5 -36.7 45.0 -18.2 53 675 A F B -k 92 0B 0 38,-0.3 2,-0.4 -2,-0.1 40,-0.2 -0.912 48.5-178.3-149.4 121.7 -40.3 44.8 -17.1 54 676 A L - 0 0 23 38,-2.3 40,-0.4 -2,-0.3 2,-0.1 -0.982 17.1-143.5-119.6 130.0 -42.9 47.5 -17.0 55 677 A L - 0 0 10 -2,-0.4 3,-0.1 38,-0.2 111,-0.0 -0.445 30.3-110.2 -76.2 160.9 -46.5 47.1 -15.7 56 678 A D S S+ 0 0 100 1,-0.2 2,-0.6 -2,-0.1 -1,-0.1 0.897 113.1 39.8 -59.2 -43.6 -49.3 49.0 -17.4 57 679 A D + 0 0 86 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.945 62.4 169.2-110.7 115.7 -49.7 51.1 -14.3 58 680 A M + 0 0 2 -2,-0.6 2,-0.2 -3,-0.1 -1,-0.1 0.010 24.1 145.1-112.6 24.3 -46.4 52.1 -12.7 59 681 A T - 0 0 47 13,-0.1 2,-0.4 7,-0.0 9,-0.2 -0.467 30.4-163.5 -65.7 131.5 -47.7 54.7 -10.2 60 682 A I E -L 67 0C 1 7,-2.5 7,-3.3 -2,-0.2 2,-0.5 -0.971 13.1-163.4-123.5 133.0 -45.8 54.7 -7.0 61 683 A T E +L 66 0C 94 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.977 35.6 124.3-114.7 121.9 -46.7 56.1 -3.6 62 684 A A E > +L 65 0C 13 3,-1.9 3,-1.6 -2,-0.5 96,-0.1 -0.954 55.3 30.6-166.1 154.1 -43.9 56.6 -1.1 63 685 A N T 3 S- 0 0 51 -2,-0.3 3,-0.1 1,-0.3 91,-0.0 0.786 127.6 -60.1 63.1 30.1 -42.3 59.3 1.1 64 686 A G T 3 S+ 0 0 90 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.441 121.5 76.4 79.5 3.4 -45.6 61.2 1.4 65 687 A K E < S-L 62 0C 97 -3,-1.6 -3,-1.9 2,-0.0 2,-0.4 -0.783 72.8-117.6-135.8 173.8 -45.9 61.7 -2.3 66 688 A T E -L 61 0C 96 -2,-0.2 2,-0.6 -5,-0.2 -5,-0.2 -0.946 10.1-151.4-116.8 143.9 -46.9 60.0 -5.6 67 689 A Y E -L 60 0C 15 -7,-3.3 -7,-2.5 -2,-0.4 5,-0.0 -0.975 31.9-122.1-110.7 119.1 -44.7 59.4 -8.6 68 690 A A > - 0 0 48 -2,-0.6 4,-2.0 -9,-0.2 3,-0.4 -0.250 16.7-115.8 -65.5 148.5 -47.0 59.3 -11.7 69 691 A S H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.864 112.3 49.7 -51.9 -47.9 -47.0 56.2 -13.9 70 692 A D H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.854 111.4 49.3 -62.0 -38.7 -45.6 57.9 -17.1 71 693 A D H > S+ 0 0 94 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.850 111.3 48.9 -70.7 -36.1 -42.7 59.5 -15.1 72 694 A V H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.944 112.0 48.7 -67.7 -48.4 -41.8 56.1 -13.5 73 695 A K H X S+ 0 0 54 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.907 113.7 47.0 -55.4 -46.1 -41.9 54.4 -16.9 74 696 A K H X S+ 0 0 126 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.914 113.0 48.9 -63.1 -44.9 -39.7 57.1 -18.4 75 697 A A H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.920 112.9 46.7 -60.9 -48.2 -37.2 57.0 -15.5 76 698 A I H X S+ 0 0 4 -4,-2.8 4,-3.0 2,-0.2 -25,-0.3 0.910 110.4 52.1 -62.9 -46.2 -36.9 53.2 -15.6 77 699 A I H X S+ 0 0 59 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.951 112.3 47.6 -54.6 -48.1 -36.4 53.1 -19.3 78 700 A E H X S+ 0 0 61 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.898 112.0 48.8 -58.8 -45.3 -33.6 55.7 -18.9 79 701 A G H X S+ 0 0 1 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.915 113.2 48.0 -58.7 -42.6 -32.0 53.7 -16.0 80 702 A T H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 3,-0.4 0.928 111.9 47.3 -69.9 -44.6 -32.1 50.5 -18.1 81 703 A K H < S+ 0 0 92 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.822 108.5 57.9 -61.6 -32.2 -30.7 52.2 -21.2 82 704 A A H < S+ 0 0 69 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.772 110.4 42.4 -70.2 -30.4 -27.9 53.7 -19.0 83 705 A Y H < S- 0 0 54 -4,-1.3 2,-0.3 -3,-0.4 -2,-0.2 0.937 143.7 -19.2 -74.8 -54.3 -26.9 50.2 -17.8 84 706 A Y < - 0 0 50 -4,-2.8 2,-1.8 -5,-0.1 -1,-0.2 -0.825 53.3-148.8-158.9 116.1 -27.2 48.8 -21.4 85 707 A D - 0 0 92 -4,-0.4 -4,-0.1 -2,-0.3 5,-0.1 -0.554 28.3-160.0 -85.5 74.6 -29.0 50.2 -24.4 86 708 A D > - 0 0 4 -2,-1.8 3,-1.2 3,-0.2 -2,-0.1 -0.360 14.6-148.6 -57.9 122.2 -29.8 46.8 -26.0 87 709 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.760 94.7 64.3 -63.0 -24.9 -30.6 47.2 -29.7 88 710 A N T 3 S- 0 0 101 1,-0.3 2,-0.2 -67,-0.1 -2,-0.1 0.619 121.7 -67.1 -75.2 -14.9 -33.0 44.2 -29.4 89 711 A G < - 0 0 21 -3,-1.2 -1,-0.3 1,-0.1 -68,-0.2 -0.834 33.7-121.5 145.9 176.9 -35.4 46.0 -27.0 90 712 A T S S+ 0 0 32 1,-0.3 2,-0.3 -2,-0.2 -4,-0.1 0.774 75.4 3.2-118.5 -54.8 -35.7 47.4 -23.5 91 713 A A - 0 0 20 -70,-0.1 -1,-0.3 -38,-0.0 -38,-0.3 -0.996 59.1-119.0-146.3 143.9 -38.5 46.0 -21.5 92 714 A L B -k 53 0B 5 -40,-2.7 -38,-2.3 -2,-0.3 2,-0.2 -0.534 36.2-129.0 -72.5 147.7 -41.2 43.4 -21.6 93 715 A T > - 0 0 63 -2,-0.2 4,-2.0 -40,-0.2 5,-0.2 -0.483 21.8-107.1 -93.0 169.7 -44.8 44.7 -21.2 94 716 A Q H > S+ 0 0 49 -40,-0.4 4,-2.5 1,-0.2 5,-0.2 0.915 121.0 53.9 -62.2 -44.0 -47.5 43.5 -18.8 95 717 A A H > S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.834 108.4 50.0 -58.3 -37.9 -49.3 41.8 -21.7 96 718 A E H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 112.0 44.2 -71.4 -45.6 -46.2 39.9 -22.7 97 719 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.894 112.5 54.4 -65.9 -38.0 -45.4 38.5 -19.2 98 720 A T H X S+ 0 0 37 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.940 110.7 46.1 -58.6 -46.9 -49.1 37.7 -18.7 99 721 A E H X S+ 0 0 89 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.854 110.6 52.5 -63.7 -39.3 -49.0 35.7 -22.0 100 722 A L H X S+ 0 0 3 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.927 110.9 47.7 -63.3 -45.0 -45.7 33.9 -21.1 101 723 A I H X S+ 0 0 15 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.929 114.6 44.8 -61.4 -49.0 -47.1 32.8 -17.7 102 724 A E H X S+ 0 0 129 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.931 115.2 49.3 -57.7 -47.9 -50.4 31.5 -19.3 103 725 A Y H X S+ 0 0 57 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.909 112.6 46.2 -60.5 -47.0 -48.4 29.8 -22.1 104 726 A A H ><>S+ 0 0 1 -4,-2.9 5,-2.7 1,-0.2 3,-1.3 0.899 109.0 56.8 -60.1 -41.7 -46.0 28.2 -19.6 105 727 A K H ><5S+ 0 0 155 -4,-2.4 3,-2.2 1,-0.3 -2,-0.2 0.891 99.3 59.0 -60.4 -40.1 -49.0 27.1 -17.5 106 728 A S H 3<5S+ 0 0 72 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.691 109.9 44.3 -62.8 -20.2 -50.6 25.3 -20.5 107 729 A K T <<5S- 0 0 36 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.106 120.7-108.8-109.4 20.4 -47.4 23.2 -20.6 108 730 A D T < 5S+ 0 0 102 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.831 75.9 137.3 53.4 37.3 -47.3 22.6 -16.8 109 731 A I < - 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