==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUN-11 2YLA . 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, . 1649 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1190 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 200 12.1 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 . 12 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 . 152 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 155 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 544 33.0 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 3 0 6 7 1 4 4 2 6 4 6 4 3 3 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 12 14 1 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 . 14 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 60 0, 0.0 4,-1.1 0, 0.0 1384,-0.0 0.000 360.0 360.0 360.0 167.9 -24.8 -5.7 -3.8 2 624 A S H > + 0 0 71 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.742 360.0 68.0 -77.6 -27.1 -28.1 -7.5 -4.4 3 625 A H H > S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.900 103.4 45.5 -53.0 -44.9 -27.1 -7.7 -8.1 4 626 A M H > S+ 0 0 7 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.890 110.8 53.6 -61.3 -44.1 -24.4 -10.1 -6.8 5 627 A E H < S+ 0 0 139 -4,-1.1 4,-0.3 1,-0.2 -2,-0.2 0.821 108.8 47.5 -65.8 -36.0 -26.9 -12.0 -4.7 6 628 A K H >< S+ 0 0 57 -4,-2.4 3,-1.2 2,-0.2 -1,-0.2 0.924 112.2 47.1 -73.0 -47.3 -29.3 -12.6 -7.5 7 629 A L H 3< S+ 0 0 25 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.768 106.6 60.7 -64.6 -28.2 -26.7 -13.9 -10.1 8 630 A A T 3< S+ 0 0 47 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.605 88.0 96.8 -74.9 -14.0 -25.3 -16.1 -7.3 9 631 A K S < S- 0 0 44 -3,-1.2 2,-0.4 -4,-0.3 314,-0.3 -0.355 86.1 -99.8 -72.1 157.9 -28.6 -17.9 -7.0 10 632 A N E -a 323 0A 23 312,-2.8 314,-3.1 30,-0.1 2,-0.6 -0.681 29.7-171.7 -85.5 128.0 -29.2 -21.2 -8.9 11 633 A K E -a 324 0A 5 -2,-0.4 29,-3.3 312,-0.2 30,-2.0 -0.957 22.6-179.0-115.3 106.6 -31.1 -21.2 -12.2 12 634 A V E -ab 325 41A 0 312,-2.6 314,-3.3 -2,-0.6 2,-0.5 -0.897 26.1-157.1-120.0 136.0 -31.6 -24.8 -13.0 13 635 A I E -ab 326 42A 0 28,-1.8 30,-2.8 -2,-0.4 2,-0.5 -0.956 18.8-151.5-105.0 125.1 -33.3 -26.7 -15.9 14 636 A S E -ab 327 43A 0 312,-3.6 314,-3.1 -2,-0.5 2,-0.5 -0.873 8.1-166.0-103.0 124.7 -34.4 -30.3 -14.9 15 637 A I E -ab 328 44A 0 28,-2.8 2,-2.0 -2,-0.5 30,-1.8 -0.940 19.6-138.5-114.0 119.3 -34.6 -33.0 -17.6 16 638 A D E > + b 0 45A 2 312,-1.5 4,-0.8 -2,-0.5 30,-0.1 -0.539 44.4 150.4 -75.4 81.7 -36.4 -36.2 -16.9 17 639 A A T 4 + 0 0 2 -2,-2.0 5,-0.3 28,-0.8 -1,-0.2 0.152 58.5 70.6-103.0 16.2 -33.8 -38.5 -18.5 18 640 A G T 4 S+ 0 0 0 29,-0.1 30,-0.2 33,-0.1 -1,-0.1 0.812 105.9 35.2 -92.3 -44.5 -34.6 -41.5 -16.2 19 641 A R T 4 S+ 0 0 20 1,-0.2 2,-0.4 30,-0.1 -2,-0.2 0.869 128.7 33.1 -74.1 -39.2 -38.0 -42.2 -17.7 20 642 A K S < S- 0 0 8 -4,-0.8 -1,-0.2 30,-0.1 2,-0.2 -0.964 85.9-114.3-128.0 136.0 -37.0 -41.3 -21.3 21 643 A Y - 0 0 26 -2,-0.4 2,-0.4 68,-0.3 -3,-0.1 -0.448 27.2-169.4 -69.8 133.6 -33.7 -41.7 -23.1 22 644 A F - 0 0 4 -5,-0.3 2,-0.1 -2,-0.2 -5,-0.0 -0.990 22.0-123.3-121.1 134.4 -31.9 -38.5 -24.2 23 645 A T >> - 0 0 49 -2,-0.4 4,-2.0 1,-0.1 3,-0.9 -0.364 25.0-112.8 -70.5 154.3 -28.9 -38.6 -26.6 24 646 A L H 3> S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.908 120.5 48.5 -50.2 -45.4 -25.6 -37.1 -25.4 25 647 A N H 3> S+ 0 0 106 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.648 106.3 56.8 -75.7 -16.4 -25.9 -34.5 -28.1 26 648 A Q H <> S+ 0 0 51 -3,-0.9 4,-1.2 2,-0.2 -1,-0.2 0.883 112.9 40.2 -75.3 -42.7 -29.6 -33.7 -27.1 27 649 A L H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.878 109.6 61.2 -71.2 -39.3 -28.5 -32.9 -23.5 28 650 A K H X S+ 0 0 34 -4,-2.4 4,-1.0 -5,-0.3 -1,-0.2 0.845 106.0 47.3 -52.4 -38.7 -25.4 -31.2 -24.9 29 651 A R H X S+ 0 0 124 -4,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.818 106.4 56.5 -77.4 -33.2 -27.8 -28.7 -26.6 30 652 A I H X S+ 0 0 0 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.929 108.5 47.2 -61.3 -45.9 -29.9 -28.2 -23.5 31 653 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.787 109.4 55.7 -68.4 -26.3 -26.8 -27.1 -21.6 32 654 A D H X S+ 0 0 40 -4,-1.0 4,-2.4 -5,-0.2 -2,-0.2 0.964 112.0 40.9 -67.2 -52.4 -25.9 -24.8 -24.5 33 655 A K H X S+ 0 0 53 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.877 112.7 56.5 -59.6 -40.7 -29.3 -23.1 -24.3 34 656 A A H X>S+ 0 0 0 -4,-2.9 5,-3.0 2,-0.2 4,-1.2 0.916 110.0 45.1 -55.3 -45.8 -29.0 -23.1 -20.5 35 657 A S H <5S+ 0 0 8 -4,-2.1 326,-0.4 3,-0.2 -2,-0.2 0.922 115.0 47.1 -64.6 -45.2 -25.7 -21.2 -20.9 36 658 A E H <5S+ 0 0 63 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.877 112.9 47.5 -65.9 -41.0 -27.0 -18.8 -23.5 37 659 A L H <5S- 0 0 2 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.710 121.6-105.1 -76.2 -21.0 -30.2 -18.0 -21.5 38 660 A G T <5 + 0 0 1 -4,-1.2 320,-1.3 -5,-0.2 -3,-0.2 0.637 64.8 152.5 105.5 20.2 -28.2 -17.5 -18.3 39 661 A Y < - 0 0 7 -5,-3.0 -27,-0.2 -6,-0.2 -1,-0.2 -0.244 34.6-153.2 -69.8 167.0 -28.9 -20.7 -16.3 40 662 A S + 0 0 24 -29,-3.3 70,-2.9 1,-0.3 2,-0.3 0.657 68.4 20.2-115.7 -30.4 -26.4 -22.0 -13.8 41 663 A D E -bc 12 110A 16 -30,-2.0 -28,-1.8 68,-0.3 2,-0.5 -0.977 54.3-142.2-141.9 153.8 -27.1 -25.7 -13.7 42 664 A V E -bc 13 111A 3 68,-2.8 70,-2.2 -2,-0.3 2,-0.6 -0.988 21.3-150.4-112.0 119.0 -28.7 -28.6 -15.6 43 665 A H E -bc 14 112A 0 -30,-2.8 -28,-2.8 -2,-0.5 2,-0.6 -0.813 15.8-166.3 -87.9 120.5 -30.5 -31.0 -13.3 44 666 A L E -bc 15 113A 0 68,-2.6 70,-1.8 -2,-0.6 2,-0.6 -0.902 12.7-155.6-120.7 105.4 -30.3 -34.5 -14.9 45 667 A L E +bc 16 114A 0 -30,-1.8 -28,-0.8 -2,-0.6 3,-0.2 -0.676 24.0 162.9 -73.6 117.1 -32.5 -37.3 -13.6 46 668 A L E S+ 0 0 0 68,-2.6 6,-3.2 -2,-0.6 2,-0.5 0.629 71.5 44.4-109.6 -27.3 -30.7 -40.5 -14.7 47 669 A G E +Dc 51 115A 2 67,-2.6 69,-2.3 4,-0.2 -1,-0.3 -0.957 70.0 127.7-119.2 106.2 -32.5 -42.8 -12.3 48 670 A N S S- 0 0 1 2,-2.5 2,-2.0 -2,-0.5 73,-0.2 -0.692 94.8 -41.5-159.6 99.8 -36.3 -42.1 -12.3 49 671 A D S S+ 0 0 13 71,-2.4 74,-2.9 -2,-0.2 75,-0.4 -0.566 140.6 47.6 68.0 -78.9 -38.4 -45.2 -13.0 50 672 A G S S- 0 0 1 -2,-2.0 -2,-2.5 72,-0.2 2,-0.6 -0.487 86.2-132.1 -78.7 157.5 -35.9 -46.3 -15.6 51 673 A L B +D 47 0A 1 25,-0.3 -4,-0.2 -4,-0.2 29,-0.2 -0.925 28.6 174.1-113.6 104.7 -32.2 -46.3 -14.9 52 674 A R + 0 0 3 -6,-3.2 40,-2.9 -2,-0.6 2,-0.3 -0.148 50.4 75.5-110.7 37.3 -30.5 -44.7 -17.9 53 675 A F E -k 92 0B 0 38,-0.3 2,-0.4 -7,-0.1 40,-0.2 -0.935 51.8-174.1-149.2 122.8 -26.8 -44.4 -16.8 54 676 A L E -k 93 0B 22 38,-2.5 40,-0.7 -2,-0.3 2,-0.1 -0.974 16.4-140.8-118.4 130.3 -24.3 -47.2 -16.6 55 677 A L - 0 0 8 -2,-0.4 3,-0.2 38,-0.2 111,-0.0 -0.349 27.4-112.7 -75.0 164.3 -20.8 -46.9 -15.2 56 678 A D S S+ 0 0 99 1,-0.3 2,-0.6 -2,-0.1 -1,-0.1 0.941 112.4 34.1 -62.3 -47.4 -17.8 -48.6 -16.9 57 679 A D + 0 0 90 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 -0.942 64.9 173.0-112.6 114.9 -17.4 -50.8 -13.8 58 680 A M + 0 0 0 -2,-0.6 2,-0.3 -3,-0.2 -1,-0.1 -0.002 22.6 148.2-109.4 26.7 -20.8 -51.8 -12.2 59 681 A T - 0 0 46 13,-0.1 2,-0.4 7,-0.1 9,-0.2 -0.494 30.9-160.0 -66.7 120.9 -19.4 -54.3 -9.7 60 682 A I E -L 67 0C 1 7,-1.5 7,-3.1 -2,-0.3 2,-0.6 -0.879 10.1-159.2-109.4 137.6 -21.6 -54.1 -6.6 61 683 A T E +L 66 0C 103 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.928 37.0 127.4-119.7 105.1 -20.6 -55.4 -3.1 62 684 A A E > +L 65 0C 11 3,-1.7 3,-1.5 -2,-0.6 96,-0.1 -0.992 54.7 21.1-156.1 150.5 -23.5 -56.1 -0.8 63 685 A N T 3 S- 0 0 56 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.769 123.9 -61.7 62.3 30.7 -25.0 -58.9 1.5 64 686 A G T 3 S+ 0 0 92 1,-0.3 -1,-0.3 -3,-0.0 2,-0.2 0.292 122.5 82.3 81.4 -11.3 -21.7 -60.7 1.8 65 687 A K E < S-L 62 0C 111 -3,-1.5 -3,-1.7 2,-0.0 2,-0.4 -0.710 71.2-128.8-116.4 169.9 -21.5 -61.4 -1.9 66 688 A T E -L 61 0C 95 -2,-0.2 2,-0.6 -5,-0.2 -5,-0.2 -0.948 12.6-140.2-118.7 145.6 -20.4 -59.4 -5.0 67 689 A Y E -L 60 0C 12 -7,-3.1 -7,-1.5 -2,-0.4 5,-0.1 -0.920 28.1-117.0-106.4 120.3 -22.3 -58.9 -8.2 68 690 A A > - 0 0 46 -2,-0.6 4,-2.2 -9,-0.2 3,-0.4 -0.269 19.9-123.7 -57.3 137.0 -20.3 -59.2 -11.4 69 691 A S H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.861 111.5 48.6 -49.9 -45.6 -20.2 -55.9 -13.4 70 692 A D H > S+ 0 0 123 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.847 110.7 50.6 -66.3 -37.0 -21.5 -57.6 -16.5 71 693 A D H > S+ 0 0 98 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.841 112.1 48.2 -67.7 -35.6 -24.4 -59.3 -14.6 72 694 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.909 111.5 48.4 -71.4 -45.9 -25.4 -55.9 -13.0 73 695 A K H X S+ 0 0 54 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.914 112.5 48.4 -59.7 -47.8 -25.3 -54.0 -16.3 74 696 A K H X S+ 0 0 128 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.872 111.4 51.2 -61.5 -40.6 -27.4 -56.7 -18.1 75 697 A A H X S+ 0 0 2 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.911 111.7 46.6 -62.1 -45.4 -29.9 -56.7 -15.2 76 698 A I H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -25,-0.3 0.884 110.0 52.5 -67.7 -41.0 -30.3 -52.9 -15.3 77 699 A I H X S+ 0 0 55 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.919 111.0 48.1 -60.7 -44.1 -30.7 -52.8 -19.1 78 700 A E H X S+ 0 0 63 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.878 112.2 49.5 -63.9 -39.8 -33.5 -55.4 -18.8 79 701 A G H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.891 109.9 49.5 -65.8 -43.4 -35.2 -53.4 -16.0 80 702 A T H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.854 114.8 45.7 -63.7 -36.8 -35.1 -50.1 -17.9 81 703 A K H X S+ 0 0 87 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.780 107.4 57.7 -75.5 -30.5 -36.6 -51.9 -20.9 82 704 A A H < S+ 0 0 66 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.851 111.9 42.5 -66.3 -36.2 -39.1 -53.6 -18.6 83 705 A Y H < S- 0 0 54 -4,-1.9 -2,-0.2 1,-0.2 2,-0.2 0.941 145.1 -23.4 -69.8 -52.1 -40.2 -50.1 -17.6 84 706 A Y H < - 0 0 48 -4,-2.4 2,-1.5 -5,-0.1 -1,-0.2 -0.701 55.7-142.3-167.8 108.3 -40.1 -48.8 -21.1 85 707 A D < - 0 0 97 -4,-0.6 -4,-0.1 -2,-0.2 5,-0.1 -0.599 28.0-154.9 -76.1 89.6 -38.1 -50.1 -24.0 86 708 A D > - 0 0 5 -2,-1.5 3,-0.8 3,-0.3 -2,-0.0 -0.528 12.5-153.1 -71.7 123.9 -37.1 -46.8 -25.6 87 709 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.667 94.2 61.1 -68.6 -17.8 -36.4 -47.1 -29.4 88 710 A N T 3 S- 0 0 104 1,-0.3 2,-0.2 -67,-0.1 -2,-0.0 0.679 123.4 -60.0 -82.0 -21.0 -34.0 -44.1 -29.1 89 711 A G < - 0 0 18 -3,-0.8 -1,-0.3 1,-0.1 -68,-0.3 -0.823 34.2-127.3 154.5 168.5 -31.7 -45.8 -26.6 90 712 A T S S+ 0 0 31 1,-0.3 2,-0.3 -2,-0.2 -68,-0.1 0.830 76.1 0.9-106.4 -65.8 -31.4 -47.4 -23.2 91 713 A A - 0 0 20 -70,-0.1 -1,-0.3 -38,-0.0 -38,-0.3 -0.974 60.7-120.0-136.9 143.4 -28.6 -45.9 -21.0 92 714 A L E -k 53 0B 5 -40,-2.9 -38,-2.5 -2,-0.3 2,-0.2 -0.534 36.0-125.4 -73.9 145.3 -25.9 -43.2 -21.2 93 715 A T E > -k 54 0B 66 -2,-0.2 4,-2.3 -40,-0.2 3,-0.3 -0.512 17.9-112.5 -89.9 161.7 -22.4 -44.4 -20.8 94 716 A Q H > S+ 0 0 45 -40,-0.7 4,-2.8 1,-0.2 5,-0.2 0.929 120.0 52.9 -52.4 -49.1 -19.8 -43.2 -18.3 95 717 A A H > S+ 0 0 67 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.794 109.6 49.3 -60.2 -32.4 -17.8 -41.7 -21.2 96 718 A E H > S+ 0 0 51 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.910 113.2 43.8 -73.1 -44.9 -20.8 -39.8 -22.4 97 719 A V H X S+ 0 0 2 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.844 111.4 54.7 -72.0 -34.7 -21.8 -38.3 -19.0 98 720 A T H X S+ 0 0 49 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.909 108.4 50.4 -58.9 -43.7 -18.1 -37.4 -18.3 99 721 A E H X S+ 0 0 91 -4,-1.3 4,-2.5 -5,-0.2 -2,-0.2 0.883 109.2 50.6 -63.1 -40.5 -18.1 -35.5 -21.6 100 722 A L H X S+ 0 0 2 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.851 109.5 50.3 -67.2 -37.1 -21.3 -33.7 -20.7 101 723 A I H X S+ 0 0 13 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.931 115.2 42.5 -66.3 -46.7 -19.9 -32.6 -17.3 102 724 A E H X S+ 0 0 114 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.857 115.9 49.7 -67.3 -37.0 -16.7 -31.3 -18.9 103 725 A Y H < S+ 0 0 55 -4,-2.5 4,-0.3 -5,-0.2 -2,-0.2 0.903 112.5 46.6 -66.1 -44.0 -18.7 -29.7 -21.8 104 726 A A H ><>S+ 0 0 0 -4,-2.6 5,-3.1 1,-0.2 3,-0.9 0.841 108.6 56.8 -67.1 -34.5 -21.0 -28.0 -19.3 105 727 A K H ><5S+ 0 0 54 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.875 98.9 59.0 -63.6 -40.0 -18.1 -26.9 -17.2 106 728 A S T 3<5S+ 0 0 70 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.634 110.7 44.3 -64.0 -13.9 -16.5 -25.0 -20.2 107 729 A K T < 5S- 0 0 27 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.164 119.7-105.9-116.1 15.1 -19.8 -23.0 -20.3 108 730 A D T < 5S+ 0 0 71 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.825 76.8 137.8 59.9 35.6 -20.1 -22.3 -16.6 109 731 A I < - 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