==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-NOV-11 3VKK . COMPND 2 MOLECULE: CYTOSOLIC BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.NOGUCHI,Y.HAYASHI,N.OKINO,M.ITO,M.KIMURA,Y.KAKUTA . 465 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 4.1 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 27 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 3.7 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 2 0 1 2 1 0 2 0 2 1 0 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 2 1 0 0 1 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 . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 1 A M 0 0 86 0, 0.0 464,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 82.8 -55.4 -6.7 12.9 2 2 A A B -A 464 0A 76 462,-0.2 462,-0.2 399,-0.0 461,-0.1 -0.784 360.0-141.1 -91.7 122.8 -54.7 -10.4 12.0 3 3 A F - 0 0 10 460,-2.8 3,-0.1 -2,-0.5 4,-0.1 -0.330 39.0 -70.1 -77.0 165.6 -51.9 -10.8 9.3 4 4 A P > - 0 0 54 0, 0.0 3,-2.0 0, 0.0 2,-0.3 -0.180 57.8-100.2 -52.3 143.2 -52.1 -13.5 6.5 5 5 A A T 3 S+ 0 0 104 1,-0.3 -3,-0.0 -3,-0.1 458,-0.0 -0.566 115.0 26.9 -67.7 132.2 -51.7 -17.0 7.7 6 6 A G T 3 S+ 0 0 77 -2,-0.3 -1,-0.3 1,-0.3 457,-0.0 0.466 84.4 160.2 89.0 4.4 -48.1 -17.9 7.0 7 7 A F < - 0 0 10 -3,-2.0 2,-0.5 1,-0.1 -1,-0.3 -0.320 41.8-119.7 -59.1 140.2 -46.9 -14.3 7.2 8 8 A G E -b 413 0B 0 404,-3.2 406,-2.1 64,-0.1 2,-0.6 -0.779 26.0-169.8 -92.5 122.9 -43.1 -14.2 7.8 9 9 A W E +b 414 0B 2 -2,-0.5 63,-2.5 404,-0.2 64,-1.3 -0.959 23.9 160.4-112.2 116.4 -41.9 -12.5 11.0 10 10 A A E -bc 415 73B 0 404,-2.7 406,-2.3 -2,-0.6 2,-0.3 -0.709 32.8-150.7-128.3 167.1 -38.1 -12.0 10.9 11 11 A A E -b 416 0B 0 62,-0.6 2,-0.3 404,-0.3 406,-0.2 -0.944 23.8-144.0-131.8 165.5 -35.2 -10.1 12.4 12 12 A A E +b 417 0B 9 404,-2.6 407,-1.8 -2,-0.3 406,-0.6 -0.907 21.0 170.5-133.7 153.4 -31.9 -9.3 10.6 13 13 A T - 0 0 6 -2,-0.3 2,-0.3 405,-0.2 3,-0.1 -0.843 21.2-139.5-141.4 176.7 -28.2 -9.0 11.1 14 14 A A > - 0 0 0 -2,-0.3 4,-1.4 62,-0.2 5,-0.3 -0.976 24.8-115.3-141.2 154.1 -25.2 -8.6 8.7 15 15 A A H >> S+ 0 0 2 -2,-0.3 4,-2.4 1,-0.2 3,-0.5 0.901 111.3 42.6 -64.8 -49.5 -21.9 -10.2 8.9 16 16 A Y H 34 S+ 0 0 15 104,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.923 114.0 54.9 -64.6 -36.7 -19.6 -7.2 9.5 17 17 A Q H 34 S+ 0 0 0 1,-0.2 406,-2.1 2,-0.1 36,-0.3 0.733 126.6 12.3 -66.0 -28.9 -22.1 -5.6 12.0 18 18 A V H << S+ 0 0 4 -4,-1.4 37,-2.6 -3,-0.5 38,-0.2 0.670 107.6 74.3-120.5 -26.7 -22.4 -8.6 14.3 19 19 A E < - 0 0 8 -4,-2.4 37,-2.7 -5,-0.3 38,-0.5 0.849 53.8-178.2 -74.6 -40.8 -19.7 -11.3 13.8 20 20 A G + 0 0 5 -4,-0.4 31,-0.3 29,-0.4 -1,-0.2 -0.430 48.9 106.1 62.7-151.0 -16.4 -10.1 15.1 21 21 A G > + 0 0 18 29,-0.5 3,-1.4 1,-0.1 6,-0.1 0.871 45.3 170.5 50.6 40.7 -13.7 -12.7 14.5 22 22 A W T 3 S+ 0 0 66 28,-1.2 -1,-0.1 1,-0.3 8,-0.1 0.693 80.0 16.4 -63.0 -20.9 -12.5 -10.3 11.7 23 23 A D T > S+ 0 0 96 27,-0.2 3,-0.7 6,-0.1 -1,-0.3 0.107 96.4 135.1-136.8 15.4 -9.3 -12.4 11.2 24 24 A A G X S- 0 0 25 -3,-1.4 3,-2.1 1,-0.2 -4,-0.0 -0.447 72.6 -0.1 -68.3 143.6 -10.3 -15.6 13.0 25 25 A D G 3 S- 0 0 74 1,-0.3 70,-0.2 -2,-0.1 71,-0.2 0.819 133.6 -50.1 51.7 39.4 -9.6 -19.0 11.4 26 26 A G G < S+ 0 0 51 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.458 86.0 164.7 79.8 2.7 -7.9 -17.6 8.2 27 27 A K < - 0 0 17 -3,-2.1 55,-0.2 -6,-0.1 -1,-0.2 -0.241 34.0-126.5 -48.8 133.0 -10.6 -15.0 7.3 28 28 A G - 0 0 4 53,-2.6 2,-0.1 1,-0.1 58,-0.1 -0.409 30.5 -93.5 -75.2 155.9 -9.4 -12.5 4.8 29 29 A P - 0 0 57 0, 0.0 96,-2.7 0, 0.0 97,-0.5 -0.494 36.5-154.1 -72.2 143.8 -9.7 -8.7 5.4 30 30 A C B >> -I 124 0C 2 94,-0.3 4,-1.7 -2,-0.1 3,-1.0 -0.670 36.1 -96.6-106.6 167.6 -12.8 -6.9 4.1 31 31 A V H 3> S+ 0 0 2 92,-2.2 4,-2.8 1,-0.3 5,-0.1 0.758 123.6 56.6 -60.6 -28.9 -12.9 -3.2 3.3 32 32 A W H 3> S+ 0 0 0 2,-0.2 4,-2.7 91,-0.2 5,-0.3 0.816 102.6 53.8 -70.4 -32.3 -14.4 -2.4 6.7 33 33 A D H <> S+ 0 0 1 -3,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.986 115.2 41.2 -61.5 -54.5 -11.5 -4.0 8.5 34 34 A T H X S+ 0 0 62 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.920 117.7 48.0 -56.1 -50.3 -9.2 -1.8 6.5 35 35 A F H >X S+ 0 0 8 -4,-2.8 3,-0.7 1,-0.2 4,-0.6 0.937 115.2 42.2 -60.8 -50.9 -11.4 1.3 6.8 36 36 A T H >< S+ 0 0 6 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.860 111.1 55.0 -69.9 -38.2 -12.0 1.0 10.6 37 37 A H H 3< S+ 0 0 81 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.648 100.3 62.2 -66.3 -20.5 -8.4 0.2 11.4 38 38 A Q H << S+ 0 0 141 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.680 85.2 179.3 -80.2 -18.5 -7.3 3.3 9.6 39 39 A G << + 0 0 16 -3,-1.0 3,-0.4 -4,-0.6 -1,-0.2 -0.196 29.9 149.4 55.2-137.9 -9.2 5.5 12.0 40 40 A G S S- 0 0 50 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.858 88.8 -73.0 72.1 35.4 -9.1 9.3 11.6 41 41 A E S S+ 0 0 151 1,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.719 96.1 129.9 55.0 30.1 -12.6 9.7 13.1 42 42 A R S S+ 0 0 84 -3,-0.4 2,-0.3 -7,-0.2 -1,-0.1 0.762 76.7 43.1 -78.4 -26.3 -14.5 8.3 10.0 43 43 A V S > S- 0 0 7 -7,-0.1 3,-2.6 -8,-0.1 384,-0.2 -0.917 112.8 -82.2-112.2 144.5 -16.3 6.1 12.5 44 44 A F G > S- 0 0 83 382,-2.4 3,-2.0 -2,-0.3 385,-0.2 -0.204 113.6 -11.1 -39.4 118.0 -17.7 7.2 15.9 45 45 A K G 3 S- 0 0 160 1,-0.3 -1,-0.3 -4,-0.1 382,-0.0 0.784 117.7 -76.7 52.9 31.0 -14.8 7.1 18.4 46 46 A N G < S+ 0 0 59 -3,-2.6 -1,-0.3 380,-0.1 -2,-0.2 0.842 83.8 171.9 50.3 36.1 -12.7 5.3 15.8 47 47 A Q < - 0 0 49 -3,-2.0 2,-0.3 379,-0.1 -8,-0.1 -0.215 13.1-162.5 -74.3 163.1 -14.7 2.1 16.7 48 48 A T - 0 0 35 -11,-0.1 4,-0.5 4,-0.0 3,-0.4 -0.918 31.9-120.5-139.2 169.5 -14.4 -1.2 14.7 49 49 A G S S+ 0 0 2 -2,-0.3 -29,-0.4 -17,-0.2 -27,-0.2 0.077 71.8 121.5 -95.9 26.5 -16.2 -4.5 14.0 50 50 A D S S- 0 0 46 1,-0.2 -28,-1.2 -30,-0.1 -29,-0.5 0.885 100.5 -3.1 -57.8 -38.3 -13.2 -6.5 15.3 51 51 A V S > S+ 0 0 69 -3,-0.4 3,-2.6 -31,-0.3 4,-0.3 0.682 86.8 157.4-118.1 -49.0 -15.4 -8.0 17.9 52 52 A A T 3 S- 0 0 1 -4,-0.5 -34,-0.2 1,-0.3 -33,-0.1 -0.243 83.5 -17.4 54.6-130.4 -18.9 -6.4 17.5 53 53 A C T 3 S- 0 0 0 -36,-0.3 -1,-0.3 -35,-0.1 -34,-0.2 0.538 87.1-124.9 -82.1 -2.4 -21.5 -8.7 19.0 54 54 A G X> + 0 0 6 -3,-2.6 4,-2.6 -36,-0.2 3,-1.4 0.759 57.4 152.2 68.6 25.9 -19.1 -11.6 18.8 55 55 A S T 34 + 0 0 0 -37,-2.6 4,-0.5 1,-0.3 -36,-0.2 0.719 64.7 64.2 -67.8 -18.0 -21.7 -13.6 16.8 56 56 A Y T 34 S+ 0 0 30 -37,-2.7 -1,-0.3 -5,-0.3 3,-0.2 0.868 118.8 27.5 -65.1 -32.6 -18.9 -15.6 15.1 57 57 A T T <4 S+ 0 0 109 -3,-1.4 3,-0.3 -38,-0.5 -2,-0.2 0.734 128.0 44.6 -95.8 -29.6 -18.2 -17.0 18.6 58 58 A L >X + 0 0 45 -4,-2.6 4,-1.6 -39,-0.2 3,-1.5 -0.057 61.8 129.9-117.6 32.9 -21.6 -16.6 20.1 59 59 A W H 3> S+ 0 0 6 -4,-0.5 4,-2.8 1,-0.3 5,-0.2 0.894 74.4 61.3 -50.9 -43.7 -24.0 -18.0 17.4 60 60 A E H 3> S+ 0 0 91 -3,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.822 102.9 51.0 -55.9 -31.1 -25.7 -20.2 20.1 61 61 A E H <> S+ 0 0 68 -3,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.898 109.6 50.0 -74.5 -42.9 -26.6 -16.9 22.0 62 62 A D H X S+ 0 0 1 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.901 107.9 53.3 -52.3 -47.0 -28.1 -15.5 18.8 63 63 A L H X S+ 0 0 17 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.903 106.2 52.8 -59.6 -42.5 -30.1 -18.7 18.3 64 64 A K H X S+ 0 0 102 -4,-1.6 4,-2.9 -5,-0.2 -1,-0.2 0.927 110.9 47.9 -56.7 -43.8 -31.5 -18.4 21.8 65 65 A C H X S+ 0 0 4 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.939 112.4 48.1 -60.9 -48.8 -32.6 -14.8 20.9 66 66 A I H X>S+ 0 0 0 -4,-2.7 5,-1.5 2,-0.2 4,-1.0 0.856 113.5 47.9 -58.1 -41.1 -34.2 -16.0 17.7 67 67 A K H <5S+ 0 0 105 -4,-2.6 3,-0.5 2,-0.2 -2,-0.2 0.928 109.6 52.2 -70.0 -43.5 -36.0 -18.8 19.5 68 68 A Q H <5S+ 0 0 121 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.928 111.9 46.7 -55.5 -47.6 -37.2 -16.5 22.3 69 69 A L H <5S- 0 0 3 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.757 103.0-136.6 -63.2 -27.8 -38.7 -14.2 19.6 70 70 A G T <5 - 0 0 39 -4,-1.0 -3,-0.2 -3,-0.5 -61,-0.1 0.819 32.1-173.9 66.6 33.2 -40.3 -17.1 17.8 71 71 A L < - 0 0 6 -5,-1.5 -61,-0.2 1,-0.2 -1,-0.1 -0.237 25.3-155.4 -54.4 142.2 -39.1 -15.8 14.4 72 72 A T S S+ 0 0 48 -63,-2.5 41,-3.0 1,-0.2 2,-0.3 0.680 82.4 21.3 -88.4 -24.7 -40.4 -17.7 11.4 73 73 A H B cd 10 113B 23 -64,-1.3 -62,-0.6 39,-0.3 -1,-0.2 -0.955 360.0 360.0-137.8 154.5 -37.4 -16.4 9.3 74 74 A Y 0 0 6 39,-2.4 41,-2.3 -2,-0.3 -62,-0.2 -0.985 360.0 360.0-137.5 360.0 -34.0 -15.0 10.1 75 ! 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 76 76 A F 0 0 12 0, 0.0 41,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 170.6 -28.2 -12.8 8.0 77 77 A S B -j 117 0D 1 39,-0.2 2,-0.4 41,-0.1 41,-0.2 -0.834 360.0-124.4-123.5 156.9 -25.4 -12.3 5.6 78 78 A L - 0 0 0 39,-2.6 2,-0.9 -2,-0.3 42,-0.3 -0.839 25.8-125.0 -94.5 136.6 -22.4 -14.4 4.5 79 79 A S > - 0 0 3 -2,-0.4 4,-2.3 1,-0.2 3,-0.3 -0.725 16.4-161.5 -84.5 109.2 -19.0 -12.8 4.8 80 80 A W H > S+ 0 0 0 -2,-0.9 4,-2.9 42,-0.3 7,-0.3 0.911 93.5 47.5 -55.3 -45.3 -17.4 -13.1 1.4 81 81 A S H 4 S+ 0 0 0 41,-0.5 -53,-2.6 1,-0.2 -1,-0.2 0.759 109.5 54.0 -75.5 -20.2 -13.9 -12.6 2.9 82 82 A R H 4 S+ 0 0 1 -3,-0.3 14,-0.3 -55,-0.2 -1,-0.2 0.899 117.8 35.4 -71.5 -43.2 -14.6 -15.2 5.6 83 83 A L H < S+ 0 0 0 -4,-2.3 10,-3.0 1,-0.3 -2,-0.2 0.917 135.6 22.5 -72.4 -43.7 -15.6 -17.9 3.0 84 84 A L S >< S- 0 0 0 -4,-2.9 3,-2.8 -5,-0.2 -1,-0.3 -0.861 72.0-164.9-132.5 83.3 -13.1 -16.8 0.3 85 85 A P T 3 S+ 0 0 22 0, 0.0 41,-0.3 0, 0.0 40,-0.2 0.752 93.2 34.2 -48.9 -33.7 -10.2 -14.9 2.0 86 86 A D T 3 S- 0 0 67 2,-0.4 3,-0.1 5,-0.4 -5,-0.1 0.344 121.1-102.9-103.4 9.8 -8.9 -13.5 -1.4 87 87 A G S < S+ 0 0 2 -3,-2.8 2,-0.3 1,-0.3 58,-0.1 0.305 94.1 86.0 91.4 -8.6 -12.4 -13.2 -2.9 88 88 A T S > S- 0 0 60 3,-0.1 3,-1.1 56,-0.0 -2,-0.4 -0.864 86.1-115.4-127.5 159.6 -12.0 -16.4 -5.0 89 89 A T T 3 S+ 0 0 71 -2,-0.3 3,-0.2 1,-0.3 -1,-0.0 0.321 90.2 101.2 -80.6 7.9 -12.4 -20.1 -4.7 90 90 A G T 3 S+ 0 0 72 1,-0.3 2,-0.4 -6,-0.0 -1,-0.3 0.924 100.1 20.0 -48.4 -44.2 -8.6 -20.6 -5.1 91 91 A F S < S- 0 0 127 -3,-1.1 2,-0.4 2,-0.0 -5,-0.4 -0.993 78.7-165.5-134.0 127.1 -8.7 -20.9 -1.3 92 92 A I - 0 0 72 -2,-0.4 2,-1.1 -3,-0.2 -8,-0.2 -0.924 17.4-137.5-115.3 130.4 -11.8 -21.8 0.6 93 93 A N >> - 0 0 10 -10,-3.0 4,-1.8 -2,-0.4 3,-0.6 -0.764 14.6-169.8 -90.9 99.5 -12.0 -21.4 4.3 94 94 A Q H 3> S+ 0 0 101 -2,-1.1 4,-3.3 1,-0.2 5,-0.2 0.831 86.1 59.9 -56.1 -35.0 -13.8 -24.5 5.6 95 95 A K H 3> S+ 0 0 118 -70,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.900 104.4 51.4 -65.2 -33.6 -14.2 -23.0 9.0 96 96 A G H <> S+ 0 0 0 -3,-0.6 4,-2.0 -14,-0.3 -2,-0.2 0.945 112.0 45.9 -59.5 -51.9 -16.2 -20.2 7.3 97 97 A I H X S+ 0 0 11 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.928 111.9 51.5 -56.5 -47.6 -18.4 -22.8 5.6 98 98 A D H X S+ 0 0 82 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.850 107.8 52.5 -61.3 -38.3 -18.8 -24.8 8.8 99 99 A Y H X S+ 0 0 26 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.958 113.5 42.4 -61.6 -51.6 -19.9 -21.6 10.7 100 100 A Y H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.867 112.6 53.7 -66.4 -37.0 -22.6 -20.8 8.1 101 101 A N H X S+ 0 0 31 -4,-2.9 4,-3.5 2,-0.2 5,-0.2 0.893 106.5 52.9 -58.5 -45.0 -23.8 -24.4 7.8 102 102 A K H X S+ 0 0 89 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.929 110.5 47.2 -57.0 -48.8 -24.2 -24.5 11.6 103 103 A I H X S+ 0 0 4 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.946 116.1 45.2 -53.4 -51.0 -26.5 -21.4 11.5 104 104 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.953 116.1 44.7 -64.5 -48.1 -28.5 -22.9 8.6 105 105 A D H X S+ 0 0 73 -4,-3.5 4,-2.5 1,-0.2 5,-0.2 0.939 114.3 49.1 -61.0 -45.1 -28.8 -26.3 10.2 106 106 A D H X S+ 0 0 4 -4,-2.8 4,-0.8 -5,-0.2 -1,-0.2 0.858 112.0 50.4 -64.7 -36.1 -29.7 -24.8 13.6 107 107 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.2 3,-1.0 0.976 112.1 45.3 -60.3 -56.7 -32.3 -22.6 12.0 108 108 A L H ><5S+ 0 0 70 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.865 109.0 54.3 -61.7 -38.0 -34.0 -25.4 10.1 109 109 A K H 3<5S+ 0 0 153 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.768 111.6 48.4 -69.2 -18.5 -34.0 -27.8 13.1 110 110 A N T <<5S- 0 0 52 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.230 120.4-109.5 -99.8 13.1 -35.8 -25.0 15.0 111 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