==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-MAR-09 2WE7 . COMPND 2 MOLECULE: XANTHINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR H.J.CHO,B.S.KANG . 678 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31574.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 481 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.1 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 . 47 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 0 1 0 0 2 2 3 3 1 1 1 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 6 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 . 0 2 3 5 1 2 3 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 . 0 0 0 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 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 4 A G 0 0 31 0, 0.0 37,-0.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -85.2 -13.0 -23.2 -59.9 2 5 A V >> + 0 0 16 1,-0.2 4,-1.2 35,-0.2 3,-0.8 0.460 360.0 105.6 -82.5 -2.9 -14.5 -20.1 -58.2 3 6 A R T 34 S+ 0 0 108 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.799 72.5 55.1 -43.7 -44.6 -11.2 -18.3 -59.1 4 7 A D T 34 S+ 0 0 127 -3,-0.5 -1,-0.2 1,-0.2 3,-0.2 0.897 122.5 25.4 -55.9 -46.4 -12.9 -16.2 -61.9 5 8 A V T <> S+ 0 0 7 -3,-0.8 4,-2.6 -4,-0.2 -1,-0.2 0.284 91.3 104.0-109.3 5.1 -15.6 -14.7 -59.6 6 9 A L H X S+ 0 0 12 -4,-1.2 4,-2.8 -3,-0.3 5,-0.2 0.831 75.9 58.2 -62.1 -36.8 -13.9 -15.0 -56.2 7 10 A G H > S+ 0 0 56 -4,-0.4 4,-1.9 -3,-0.2 -1,-0.2 0.940 111.3 42.8 -57.6 -46.9 -13.2 -11.2 -56.1 8 11 A T H > S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.934 114.0 51.4 -63.5 -47.4 -16.9 -10.5 -56.4 9 12 A L H X S+ 0 0 8 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.847 110.0 49.8 -61.2 -36.1 -17.8 -13.3 -53.9 10 13 A S H X S+ 0 0 9 -4,-2.8 4,-3.5 2,-0.2 5,-0.3 0.911 105.0 56.3 -69.0 -42.0 -15.3 -12.0 -51.4 11 14 A A H X S+ 0 0 61 -4,-1.9 4,-1.8 1,-0.2 6,-0.2 0.909 110.6 45.1 -62.0 -39.7 -16.6 -8.5 -51.6 12 15 A V H <>S+ 0 0 11 -4,-1.8 5,-1.9 2,-0.2 -1,-0.2 0.965 115.0 48.9 -61.0 -52.8 -20.1 -9.7 -50.7 13 16 A W H ><5S+ 0 0 27 -4,-2.2 3,-1.6 1,-0.2 80,-0.4 0.934 112.7 45.3 -52.3 -57.3 -18.7 -11.9 -48.0 14 17 A E H 3<5S+ 0 0 99 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.866 106.2 61.1 -56.8 -41.0 -16.6 -9.1 -46.3 15 18 A S T 3<5S- 0 0 92 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.297 119.6-108.1 -73.4 11.5 -19.4 -6.6 -46.6 16 19 A G T < 5S+ 0 0 53 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.441 77.4 133.9 77.5 -2.1 -21.5 -8.9 -44.3 17 20 A G < - 0 0 17 -5,-1.9 2,-0.5 -6,-0.2 76,-0.4 -0.282 54.0-125.2 -81.3 167.9 -23.8 -9.9 -47.2 18 21 A T - 0 0 50 74,-0.1 2,-0.3 -3,-0.1 74,-0.2 -0.961 23.6-163.4-116.4 121.8 -25.1 -13.3 -48.3 19 22 A A E -A 91 0A 0 72,-2.9 72,-2.9 -2,-0.5 2,-0.7 -0.798 19.1-131.0-106.2 146.5 -24.5 -14.6 -51.9 20 23 A G E -AB 90 41A 1 21,-1.9 21,-2.8 -2,-0.3 2,-0.5 -0.874 30.7-169.8 -90.3 117.3 -26.2 -17.4 -53.8 21 24 A V E -AB 89 40A 4 68,-2.5 68,-2.6 -2,-0.7 2,-0.5 -0.947 8.9-165.8-114.9 128.5 -23.4 -19.5 -55.3 22 25 A G E -AB 88 39A 0 17,-2.8 17,-1.7 -2,-0.5 2,-0.5 -0.965 7.4-167.9-112.7 128.5 -24.0 -22.2 -57.8 23 26 A T E -AB 87 38A 13 64,-2.9 64,-2.8 -2,-0.5 2,-0.5 -0.964 22.9-130.0-122.3 124.0 -21.3 -24.7 -58.5 24 27 A V E +A 86 0A 0 13,-2.8 12,-3.6 -2,-0.5 62,-0.2 -0.600 32.8 171.5 -67.1 124.2 -21.2 -27.2 -61.4 25 28 A V E + 0 0 3 60,-3.2 2,-0.3 -2,-0.5 -1,-0.2 0.623 60.9 13.9-115.0 -23.0 -20.4 -30.4 -59.6 26 29 A R E -A 85 0A 46 59,-1.0 59,-2.6 8,-0.1 -1,-0.4 -0.979 62.5-161.8-158.7 142.6 -20.8 -33.0 -62.4 27 30 A T E -A 84 0A 44 -2,-0.3 2,-0.3 57,-0.2 57,-0.2 -0.917 5.8-176.4-127.0 151.6 -21.2 -32.8 -66.2 28 31 A F E +A 83 0A 96 55,-1.7 55,-1.6 -2,-0.3 -2,-0.0 -0.976 65.9 19.4-145.3 149.6 -22.4 -35.2 -68.7 29 32 A R S S- 0 0 201 -2,-0.3 -1,-0.1 53,-0.2 55,-0.0 0.845 124.9 -64.8 62.4 40.1 -22.6 -35.1 -72.5 30 33 A S - 0 0 116 1,-0.1 -1,-0.2 53,-0.1 -3,-0.0 0.918 69.6-166.3 52.8 50.8 -20.0 -32.4 -72.8 31 34 A A - 0 0 10 52,-0.3 -1,-0.1 2,-0.1 51,-0.1 -0.420 32.2-106.5 -64.5 146.6 -22.0 -29.8 -71.1 32 35 A P S S+ 0 0 69 0, 0.0 20,-0.1 0, 0.0 -1,-0.1 0.795 98.1 53.6 -48.9 -45.2 -20.4 -26.4 -71.8 33 36 A R S S- 0 0 67 18,-0.4 3,-0.1 4,-0.1 -2,-0.1 -0.831 81.0-126.2-107.7 130.5 -18.8 -25.7 -68.4 34 37 A P > - 0 0 77 0, 0.0 3,-1.7 0, 0.0 -10,-0.2 -0.160 44.1 -75.6 -65.9 160.3 -16.4 -28.0 -66.5 35 38 A A T 3 S+ 0 0 35 1,-0.2 -10,-0.2 -10,-0.1 128,-0.1 -0.355 120.9 35.3 -52.5 129.5 -16.9 -29.2 -62.9 36 39 A G T 3 S+ 0 0 2 -12,-3.6 -1,-0.2 1,-0.4 -11,-0.1 -0.079 79.7 135.7 111.1 -31.5 -16.0 -26.4 -60.5 37 40 A A < - 0 0 6 -3,-1.7 -13,-2.8 -14,-0.1 -1,-0.4 -0.207 40.3-156.8 -46.6 136.1 -17.3 -23.5 -62.7 38 41 A S E -B 23 0A 5 -37,-0.6 12,-1.3 -15,-0.2 2,-0.4 -0.807 24.3-162.9-127.4 159.6 -19.3 -21.1 -60.6 39 42 A X E -BC 22 49A 2 -17,-1.7 -17,-2.8 -2,-0.3 2,-0.4 -0.993 14.8-162.9-141.2 130.8 -22.0 -18.5 -60.7 40 43 A V E -BC 21 48A 1 8,-3.0 8,-2.1 -2,-0.4 2,-0.6 -0.985 6.7-158.0-125.0 133.1 -22.5 -16.0 -57.9 41 44 A V E -BC 20 47A 9 -21,-2.8 -21,-1.9 -2,-0.4 6,-0.2 -0.940 16.7-145.2-107.0 116.1 -25.5 -13.9 -57.3 42 45 A A > - 0 0 11 4,-2.6 3,-2.6 -2,-0.6 -23,-0.1 -0.357 30.6-102.1 -76.2 157.3 -24.9 -10.7 -55.2 43 46 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -24,-0.0 0.798 123.7 56.0 -43.7 -34.5 -27.5 -9.4 -52.8 44 47 A D T 3 S- 0 0 126 2,-0.1 3,-0.1 1,-0.0 -2,-0.0 0.537 124.1-103.7 -84.2 -6.0 -28.4 -6.7 -55.3 45 48 A G S < S+ 0 0 23 -3,-2.6 2,-0.1 1,-0.3 20,-0.1 0.405 72.8 141.6 103.7 -0.8 -29.2 -9.3 -57.9 46 49 A T - 0 0 75 -5,-0.1 -4,-2.6 1,-0.0 2,-0.5 -0.423 35.2-154.1 -71.9 143.3 -26.1 -9.1 -60.0 47 50 A V E +C 41 0A 68 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.965 14.3 179.8-127.6 124.4 -24.6 -12.2 -61.3 48 51 A S E +C 40 0A 35 -8,-2.1 -8,-3.0 -2,-0.5 2,-0.1 -0.861 51.0 32.1-111.8 156.1 -21.1 -12.9 -62.3 49 52 A G E S-C 39 0A 41 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.296 71.3-110.8 90.2 174.8 -19.8 -16.2 -63.6 50 53 A S - 0 0 35 -12,-1.3 3,-0.1 -2,-0.1 -2,-0.0 -0.994 20.6-176.3-147.4 146.0 -21.4 -18.9 -65.7 51 54 A V S S+ 0 0 0 -2,-0.3 -18,-0.4 1,-0.2 2,-0.2 0.639 77.3 9.9-115.9 -22.2 -22.6 -22.4 -65.2 52 55 A S S S- 0 0 3 -20,-0.1 2,-2.0 -21,-0.0 -1,-0.2 -0.796 96.0 -80.3-145.1 176.8 -23.7 -23.4 -68.7 53 56 A G S S- 0 0 51 -2,-0.2 -3,-0.0 1,-0.1 0, 0.0 -0.421 90.2 -74.6 -82.4 62.0 -23.4 -22.0 -72.1 54 57 A G S > S+ 0 0 53 -2,-2.0 3,-0.8 1,-0.1 4,-0.5 0.186 111.3 116.8 68.9 -15.4 -26.4 -19.7 -71.2 55 58 A C T 3 S+ 0 0 88 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.839 89.1 10.3 -57.5 -42.6 -28.6 -22.7 -71.5 56 59 A V T 3> S+ 0 0 34 2,-0.1 4,-2.0 1,-0.1 -1,-0.2 0.143 89.3 112.3-125.0 24.0 -29.8 -22.8 -67.8 57 60 A E H <> S+ 0 0 35 -3,-0.8 4,-2.7 1,-0.2 5,-0.2 0.898 78.2 55.7 -63.4 -41.8 -28.5 -19.6 -66.2 58 61 A G H > S+ 0 0 50 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.898 110.1 45.8 -51.7 -47.2 -32.0 -18.3 -65.8 59 62 A A H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.894 114.7 46.2 -65.2 -45.9 -33.1 -21.4 -63.8 60 63 A V H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.854 108.2 57.7 -65.1 -39.5 -30.0 -21.4 -61.7 61 64 A Y H X S+ 0 0 74 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.940 110.3 43.3 -55.8 -50.0 -30.3 -17.7 -61.1 62 65 A D H X S+ 0 0 104 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.936 112.6 52.7 -64.1 -41.8 -33.8 -18.2 -59.6 63 66 A L H X S+ 0 0 22 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.926 108.9 50.1 -61.3 -41.3 -32.7 -21.3 -57.7 64 67 A A H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.891 109.8 51.7 -63.8 -39.0 -29.8 -19.3 -56.2 65 68 A T H X S+ 0 0 67 -4,-2.2 4,-1.3 1,-0.2 3,-0.3 0.933 111.1 46.3 -62.7 -47.0 -32.3 -16.5 -55.2 66 69 A E H X S+ 0 0 121 -4,-2.7 4,-2.1 1,-0.2 5,-0.3 0.838 108.2 57.4 -63.1 -37.8 -34.6 -18.9 -53.5 67 70 A V H X S+ 0 0 2 -4,-2.2 4,-2.2 -5,-0.2 5,-0.3 0.838 102.5 53.1 -63.6 -37.6 -31.8 -20.6 -51.7 68 71 A V H < S+ 0 0 51 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.872 111.0 48.3 -64.3 -39.3 -30.6 -17.4 -50.1 69 72 A A H < S+ 0 0 89 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.928 122.1 31.6 -64.3 -51.7 -34.2 -16.9 -48.8 70 73 A T H < S- 0 0 81 -4,-2.1 -2,-0.2 2,-0.1 -1,-0.2 0.747 94.3-142.6 -80.4 -26.8 -34.7 -20.4 -47.3 71 74 A G < + 0 0 40 -4,-2.2 -3,-0.2 -5,-0.3 -4,-0.1 0.617 57.9 129.7 68.5 14.5 -31.0 -20.8 -46.5 72 75 A T - 0 0 83 -5,-0.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.897 56.7-131.9-102.0 121.4 -31.3 -24.4 -47.5 73 76 A P - 0 0 29 0, 0.0 2,-0.4 0, 0.0 16,-0.2 -0.373 25.6-160.7 -68.5 150.4 -28.6 -25.7 -50.0 74 77 A V E -D 88 0A 47 14,-2.5 14,-2.8 -2,-0.1 2,-0.5 -0.996 19.8-147.0-141.3 131.6 -29.9 -27.7 -53.0 75 78 A L E -D 87 0A 46 -2,-0.4 2,-0.4 12,-0.2 12,-0.2 -0.873 29.9-175.6 -91.7 127.8 -28.4 -30.2 -55.5 76 79 A Q E -D 86 0A 74 10,-2.5 10,-3.0 -2,-0.5 2,-0.4 -0.980 16.5-149.6-129.5 139.3 -30.2 -29.7 -58.8 77 80 A R E -D 85 0A 133 -2,-0.4 2,-0.3 8,-0.2 8,-0.2 -0.901 13.3-171.6-110.0 134.5 -29.9 -31.6 -62.0 78 81 A Y E D 84 0A 37 6,-3.0 6,-2.7 -2,-0.4 -22,-0.1 -0.922 360.0 360.0-122.0 152.7 -30.5 -29.9 -65.4 79 82 A G 0 0 101 -2,-0.3 3,-0.1 4,-0.3 -1,-0.1 -0.147 360.0 360.0 169.9 360.0 -30.7 -31.6 -68.8 80 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 81 96 A G 0 0 92 0, 0.0 -26,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 172.0 -27.1 -29.8 -74.7 82 97 A G - 0 0 27 -51,-0.1 2,-0.5 -3,-0.1 -53,-0.2 -0.011 360.0 -81.4 95.3 157.8 -25.9 -32.1 -71.9 83 98 A I E -A 28 0A 49 -55,-1.6 -55,-1.7 -52,-0.1 2,-0.4 -0.856 41.6-168.3-102.1 129.8 -26.8 -32.9 -68.3 84 99 A L E -AD 27 78A 7 -6,-2.7 -6,-3.0 -2,-0.5 2,-0.6 -0.930 14.0-153.7-119.4 136.9 -25.5 -30.7 -65.5 85 100 A D E -AD 26 77A 3 -59,-2.6 -60,-3.2 -2,-0.4 -59,-1.0 -0.946 20.2-172.9-108.8 119.1 -25.4 -31.1 -61.7 86 101 A V E -AD 24 76A 0 -10,-3.0 -10,-2.5 -2,-0.6 2,-0.6 -0.929 15.1-155.0-117.1 125.5 -25.4 -27.8 -59.9 87 102 A F E -AD 23 75A 6 -64,-2.8 -64,-2.9 -2,-0.5 2,-0.5 -0.872 13.6-165.4 -94.6 125.3 -25.0 -27.4 -56.1 88 103 A V E +AD 22 74A 0 -14,-2.8 -14,-2.5 -2,-0.6 -66,-0.2 -0.951 16.1 164.3-115.7 125.3 -26.6 -24.1 -55.0 89 104 A E E -A 21 0A 18 -68,-2.6 -68,-2.5 -2,-0.5 2,-0.5 -0.921 38.6-112.7-138.7 154.7 -25.7 -22.9 -51.5 90 105 A P E -A 20 0A 12 0, 0.0 2,-0.5 0, 0.0 -70,-0.2 -0.812 32.6-161.7 -89.9 134.6 -25.9 -19.7 -49.5 91 106 A V E +A 19 0A 3 -72,-2.9 -72,-2.9 -2,-0.5 2,-0.3 -0.971 28.1 127.0-124.1 122.7 -22.5 -18.1 -48.7 92 107 A S S > S- 0 0 9 -2,-0.5 4,-3.0 -74,-0.2 7,-0.2 -0.947 71.4 -89.2-157.2 170.9 -21.9 -15.6 -46.0 93 108 A Q T 4 S+ 0 0 87 -80,-0.4 6,-0.1 -76,-0.4 -75,-0.1 0.841 129.2 47.4 -58.1 -33.0 -19.6 -15.0 -43.0 94 109 A K T 4 S+ 0 0 190 1,-0.1 -1,-0.2 2,-0.1 -76,-0.0 0.915 119.6 36.0 -71.0 -44.8 -22.2 -16.9 -40.9 95 110 A T T 4 S+ 0 0 63 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.699 133.0 24.4 -85.3 -20.0 -22.6 -19.8 -43.3 96 111 A F >< + 0 0 13 -4,-3.0 3,-1.5 1,-0.1 -1,-0.2 -0.604 63.8 170.3-144.4 73.1 -19.0 -20.1 -44.5 97 112 A P T > S+ 0 0 80 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.773 74.4 59.3 -65.3 -21.6 -16.5 -18.6 -41.9 98 113 A Q T 3> S+ 0 0 46 1,-0.2 4,-1.9 2,-0.1 3,-0.4 0.469 73.9 97.5 -86.7 -1.2 -13.4 -19.9 -43.7 99 114 A L H <> S+ 0 0 8 -3,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.816 79.3 53.7 -61.6 -35.6 -13.9 -18.2 -46.9 100 115 A G H <> S+ 0 0 7 -3,-0.6 4,-1.6 -4,-0.2 -1,-0.2 0.923 110.2 47.1 -63.6 -40.4 -11.7 -15.3 -46.2 101 116 A A H > S+ 0 0 54 -3,-0.4 4,-2.9 -4,-0.3 -2,-0.2 0.857 110.1 52.4 -71.4 -35.2 -8.8 -17.6 -45.3 102 117 A I H X S+ 0 0 7 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.896 106.7 54.6 -65.7 -39.1 -9.3 -19.7 -48.4 103 118 A R H X S+ 0 0 39 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.911 110.8 45.8 -59.5 -40.6 -9.2 -16.5 -50.4 104 119 A D H X S+ 0 0 70 -4,-1.6 4,-3.4 2,-0.2 -2,-0.2 0.920 109.6 53.2 -71.3 -44.6 -5.8 -15.8 -48.8 105 120 A D H X>S+ 0 0 13 -4,-2.9 5,-2.3 2,-0.2 4,-0.7 0.939 108.9 50.8 -48.9 -52.8 -4.5 -19.3 -49.4 106 121 A I H ><5S+ 0 0 27 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.935 113.6 44.3 -56.0 -47.7 -5.4 -19.0 -53.0 107 122 A E H 3<5S+ 0 0 129 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.919 114.1 48.9 -61.0 -45.7 -3.5 -15.6 -53.2 108 123 A A H 3<5S- 0 0 52 -4,-3.4 -1,-0.3 -5,-0.1 -2,-0.2 0.472 115.1-117.0 -74.9 -1.0 -0.5 -16.9 -51.3 109 124 A Q T <<5 + 0 0 116 -3,-1.1 -3,-0.2 -4,-0.7 -4,-0.1 0.706 62.2 150.4 69.5 22.4 -0.4 -20.0 -53.5 110 125 A R < - 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