==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-OCT-11 3VIJ . COMPND 2 MOLECULE: BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEOTERMES KOSHUNENSIS; . AUTHOR W.Y.JENG,C.I.LIU,A.H.J.WANG . 472 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 3.4 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 . 0 0.0 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 . 28 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 0 1 2 0 0 0 1 1 1 2 1 1 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 4 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 . 4 0 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 . 0 2 0 0 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 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 27 A T > 0 0 139 0, 0.0 3,-1.9 0, 0.0 405,-0.1 0.000 360.0 360.0 360.0 -47.5 -6.2 96.0 32.8 2 28 A V T 3 + 0 0 35 1,-0.3 404,-0.2 404,-0.1 403,-0.1 0.636 360.0 50.3 -65.6 -13.7 -6.6 94.5 29.3 3 29 A Y T 3 S+ 0 0 50 2,-0.1 463,-2.1 399,-0.1 2,-0.4 0.362 95.3 88.1-103.3 3.4 -7.9 91.3 31.0 4 30 A T B < S-A 465 0A 46 -3,-1.9 461,-0.2 461,-0.2 460,-0.1 -0.856 73.5-126.2-109.9 137.0 -10.5 92.9 33.3 5 31 A F - 0 0 3 459,-2.5 -2,-0.1 -2,-0.4 -3,-0.0 -0.543 35.8-102.2 -75.1 139.4 -14.1 93.7 32.4 6 32 A P > - 0 0 45 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.299 36.5-111.4 -55.7 148.6 -15.3 97.2 32.8 7 33 A D T 3 S+ 0 0 138 1,-0.3 -2,-0.1 -3,-0.1 457,-0.0 0.833 115.0 41.3 -54.4 -40.8 -17.4 97.5 36.0 8 34 A E T 3 S+ 0 0 167 2,-0.1 -1,-0.3 406,-0.0 2,-0.1 0.457 84.8 121.4 -89.9 -0.9 -20.7 98.2 34.3 9 35 A F < - 0 0 5 -3,-1.5 2,-0.5 1,-0.1 405,-0.2 -0.406 58.1-136.1 -66.3 135.5 -20.2 95.6 31.5 10 36 A K E -b 414 0B 59 403,-1.8 405,-2.5 -2,-0.1 2,-0.4 -0.849 19.4-169.9-103.3 126.6 -23.0 92.9 31.4 11 37 A L E +b 415 0B 3 -2,-0.5 63,-3.2 403,-0.2 64,-1.0 -0.901 27.0 110.8-112.9 139.8 -22.2 89.2 31.0 12 38 A G E -bc 416 75B 0 403,-2.2 405,-2.3 -2,-0.4 2,-0.3 -0.828 51.2 -84.7-169.4-148.8 -24.6 86.4 30.4 13 39 A A E -bc 417 76B 0 62,-1.3 64,-2.4 403,-0.3 2,-0.3 -0.922 28.2-140.8-145.1 165.2 -26.0 83.8 28.0 14 40 A A E +bc 418 77B 0 403,-2.4 406,-1.8 -2,-0.3 405,-0.7 -0.932 17.7 166.3-137.2 151.8 -28.6 83.6 25.2 15 41 A T - 0 0 0 62,-2.2 2,-0.3 -2,-0.3 408,-0.0 -0.847 23.3-132.2-144.8 179.4 -31.3 81.4 23.7 16 42 A A > - 0 0 0 -2,-0.3 4,-1.1 62,-0.2 5,-0.2 -0.986 24.1-116.3-141.1 149.8 -34.2 81.7 21.2 17 43 A S H >> S+ 0 0 0 -2,-0.3 4,-3.0 1,-0.3 3,-0.8 0.868 109.6 41.1 -56.1 -56.2 -37.8 80.5 21.5 18 44 A Y H 34 S+ 0 0 12 104,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.837 112.9 57.8 -65.3 -30.8 -38.1 77.9 18.8 19 45 A Q H 34 S+ 0 0 2 -3,-0.2 405,-2.4 1,-0.1 -1,-0.2 0.779 126.3 11.1 -69.6 -24.0 -34.7 76.5 19.7 20 46 A I H << S+ 0 0 7 -4,-1.1 37,-2.5 -3,-0.8 35,-0.4 0.659 108.2 72.5-124.5 -28.8 -35.6 75.8 23.3 21 47 A E < + 0 0 7 -4,-3.0 37,-2.4 -5,-0.2 38,-0.4 0.855 54.1 179.5 -74.6 -40.7 -39.2 76.0 24.3 22 48 A G + 0 0 5 -5,-0.4 31,-0.3 29,-0.4 -1,-0.2 -0.432 45.5 108.0 64.0-147.9 -41.1 73.1 22.8 23 49 A A > + 0 0 8 29,-0.6 3,-1.2 1,-0.1 6,-0.2 0.881 46.5 172.2 47.5 45.8 -44.8 73.1 23.7 24 50 A W T 3 S+ 0 0 67 28,-1.1 -1,-0.1 1,-0.3 8,-0.1 0.698 75.0 17.8 -66.9 -23.9 -45.3 74.0 20.0 25 51 A D T 3 S+ 0 0 100 27,-0.2 3,-0.5 6,-0.1 -1,-0.3 0.098 96.7 129.6-130.3 23.6 -49.1 73.7 20.1 26 52 A E S X S- 0 0 64 -3,-1.2 3,-1.8 1,-0.2 4,-0.0 -0.549 72.2 -5.9 -87.4 142.6 -49.8 73.8 23.8 27 53 A N T 3 S- 0 0 88 1,-0.3 -1,-0.2 -2,-0.2 70,-0.2 0.850 132.5 -41.9 48.1 49.8 -52.3 76.1 25.5 28 54 A G T 3 S+ 0 0 47 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.347 88.2 151.8 89.1 -4.8 -53.4 78.1 22.5 29 55 A K < - 0 0 15 -3,-1.8 -1,-0.3 -6,-0.2 55,-0.3 -0.380 37.3-137.5 -61.0 133.6 -50.0 78.7 20.7 30 56 A G - 0 0 7 53,-2.6 2,-0.2 1,-0.1 58,-0.1 -0.425 26.8 -86.7 -87.4 167.6 -50.5 79.1 17.0 31 57 A P - 0 0 66 0, 0.0 96,-2.6 0, 0.0 97,-0.5 -0.466 40.5-163.9 -77.7 144.4 -48.3 77.5 14.3 32 58 A N B > -J 126 0C 1 94,-0.3 4,-2.2 -2,-0.2 3,-0.2 -0.660 38.6 -94.0-116.9 176.6 -45.2 79.3 13.0 33 59 A I H > S+ 0 0 4 92,-2.3 4,-2.2 1,-0.2 91,-0.1 0.710 123.8 53.8 -67.1 -21.4 -43.0 78.8 9.9 34 60 A W H > S+ 0 0 2 2,-0.2 4,-2.5 91,-0.2 5,-0.3 0.834 105.7 52.3 -82.3 -34.4 -40.6 76.4 11.8 35 61 A D H > S+ 0 0 2 -3,-0.2 4,-2.0 2,-0.2 5,-0.3 0.953 113.6 46.5 -54.8 -49.1 -43.5 74.2 12.9 36 62 A T H X S+ 0 0 30 -4,-2.2 4,-2.9 1,-0.2 5,-0.5 0.942 113.7 46.4 -61.6 -48.1 -44.4 74.1 9.3 37 63 A L H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 7,-0.2 0.947 115.9 43.4 -60.5 -51.2 -40.9 73.4 8.0 38 64 A T H < S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.804 120.1 42.5 -71.8 -25.9 -40.1 70.7 10.5 39 65 A H H < S+ 0 0 72 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.867 126.3 29.5 -83.3 -40.7 -43.5 69.0 10.1 40 66 A E H < S+ 0 0 132 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.749 129.5 34.5 -92.3 -27.4 -43.8 69.2 6.4 41 67 A H >< + 0 0 61 -4,-2.6 3,-2.5 -5,-0.5 4,-0.3 -0.406 56.9 150.8-129.4 58.3 -40.2 69.1 5.3 42 68 A P G > S+ 0 0 60 0, 0.0 3,-1.6 0, 0.0 6,-0.5 0.758 71.2 73.1 -61.3 -20.5 -38.2 66.9 7.6 43 69 A D G 3 S+ 0 0 130 1,-0.3 4,-0.1 -3,-0.1 -5,-0.1 0.628 90.2 59.3 -64.7 -14.0 -36.0 66.2 4.6 44 70 A Y G < S+ 0 0 39 -3,-2.5 2,-0.4 -7,-0.2 -1,-0.3 0.567 100.5 66.7 -85.3 -11.1 -34.6 69.7 5.1 45 71 A V S X S- 0 0 9 -3,-1.6 3,-2.5 -4,-0.3 383,-0.2 -0.912 91.8-103.9-120.8 136.4 -33.4 69.0 8.6 46 72 A V G > S- 0 0 39 381,-2.6 3,-1.8 -2,-0.4 384,-0.3 -0.319 108.7 -0.1 -54.9 131.5 -30.7 66.7 10.0 47 73 A D G 3 S- 0 0 139 1,-0.3 -1,-0.3 382,-0.1 3,-0.1 0.532 115.5 -86.6 67.8 6.5 -32.3 63.6 11.5 48 74 A G G < S+ 0 0 30 -3,-2.5 -1,-0.3 -6,-0.5 -2,-0.2 0.836 76.5 178.5 57.7 30.8 -35.8 65.0 10.6 49 75 A A < - 0 0 12 -3,-1.8 2,-0.3 -7,-0.2 -1,-0.2 -0.244 13.1-164.9 -65.3 153.5 -35.5 66.8 13.9 50 76 A T - 0 0 37 -3,-0.1 4,-0.5 -11,-0.0 3,-0.4 -0.927 30.4-128.8-130.2 162.9 -38.2 69.1 15.1 51 77 A G S S+ 0 0 2 -2,-0.3 -29,-0.4 1,-0.2 -27,-0.1 0.093 71.6 119.6 -90.2 23.5 -38.6 71.8 17.8 52 78 A D S S- 0 0 49 1,-0.1 -28,-1.1 -30,-0.1 -29,-0.6 0.860 99.9 -2.7 -59.1 -37.7 -41.8 70.1 19.1 53 79 A I S > S+ 0 0 84 -3,-0.4 3,-2.7 -31,-0.3 4,-0.2 0.662 85.4 156.7-117.2 -48.3 -40.1 69.6 22.5 54 80 A A T 3 S- 0 0 1 -4,-0.5 -34,-0.2 1,-0.3 -33,-0.1 -0.298 84.9 -19.1 54.9-130.9 -36.5 70.9 22.2 55 81 A D T 3 S- 0 0 0 -35,-0.4 -1,-0.3 -36,-0.2 -34,-0.2 0.439 86.5-127.0 -84.3 0.1 -35.2 71.8 25.7 56 82 A D X> + 0 0 28 -3,-2.7 4,-2.5 -36,-0.1 3,-1.3 0.788 53.6 156.4 56.6 33.8 -38.8 71.9 26.9 57 83 A S H 3> + 0 0 0 -37,-2.5 4,-0.8 1,-0.3 -36,-0.2 0.686 61.1 71.9 -66.5 -16.6 -38.2 75.4 28.3 58 84 A Y H 34 S+ 0 0 21 -37,-2.4 -1,-0.3 -5,-0.2 3,-0.1 0.915 116.7 23.0 -58.6 -41.6 -41.9 76.2 28.1 59 85 A H H <4 S+ 0 0 86 -3,-1.3 3,-0.3 -38,-0.4 -2,-0.2 0.793 129.2 47.5 -89.5 -30.2 -42.2 73.8 31.1 60 86 A L H >X + 0 0 36 -4,-2.5 4,-1.5 1,-0.2 3,-1.2 0.106 65.8 122.6-105.9 20.4 -38.7 73.9 32.4 61 87 A Y H 3X S+ 0 0 33 -4,-0.8 4,-2.2 1,-0.3 -1,-0.2 0.817 73.4 59.1 -56.3 -31.7 -38.0 77.7 32.5 62 88 A K H 3> S+ 0 0 118 -3,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.865 103.5 52.2 -66.0 -32.0 -37.3 77.5 36.3 63 89 A E H <> S+ 0 0 89 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.858 106.8 53.4 -67.7 -37.1 -34.5 75.1 35.5 64 90 A D H X S+ 0 0 3 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.923 109.7 47.6 -61.6 -44.5 -33.1 77.6 33.0 65 91 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.915 108.3 56.1 -64.3 -39.1 -33.1 80.3 35.6 66 92 A K H X S+ 0 0 141 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.917 110.2 43.8 -56.9 -47.4 -31.4 77.9 38.1 67 93 A I H X S+ 0 0 13 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.864 111.4 54.1 -70.9 -33.1 -28.5 77.3 35.6 68 94 A L H X>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 4,-1.4 0.904 109.8 48.3 -61.8 -39.7 -28.2 81.0 34.8 69 95 A K H <5S+ 0 0 117 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.913 111.2 49.6 -67.1 -42.1 -27.9 81.7 38.5 70 96 A E H <5S+ 0 0 121 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.910 111.2 49.7 -60.1 -43.1 -25.3 79.0 38.9 71 97 A L H <5S- 0 0 2 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.808 110.8-125.7 -63.2 -31.2 -23.4 80.5 35.9 72 98 A G T <5 + 0 0 38 -4,-1.4 -3,-0.2 1,-0.2 -61,-0.1 0.696 42.2 178.1 84.9 24.4 -23.6 83.9 37.5 73 99 A A < - 0 0 7 -5,-2.1 -61,-0.2 -6,-0.2 -1,-0.2 -0.345 23.9-165.1 -59.2 135.8 -25.2 85.5 34.5 74 100 A Q S S+ 0 0 76 -63,-3.2 41,-2.7 1,-0.2 2,-0.3 0.690 78.5 26.7 -87.1 -26.0 -26.1 89.2 34.9 75 101 A V E -cd 12 115B 0 -64,-1.0 -62,-1.3 39,-0.2 2,-0.5 -0.992 63.3-157.1-140.7 141.8 -28.4 89.1 31.8 76 102 A Y E -cd 13 116B 0 39,-2.6 41,-2.5 -2,-0.3 2,-0.6 -0.984 11.1-157.2-120.6 117.8 -30.3 86.5 30.0 77 103 A R E +cd 14 117B 0 -64,-2.4 -62,-2.2 -2,-0.5 2,-0.3 -0.854 28.1 153.3 -94.1 121.6 -31.1 87.1 26.4 78 104 A F E - d 0 118B 4 39,-2.3 41,-2.7 -2,-0.6 2,-0.3 -0.901 33.5-124.0-138.6 166.7 -34.2 85.1 25.2 79 105 A S E - d 0 119B 2 -2,-0.3 2,-0.4 39,-0.2 41,-0.2 -0.807 14.3-126.9-115.3 159.9 -36.8 85.6 22.5 80 106 A I - 0 0 0 39,-2.1 2,-0.8 -2,-0.3 42,-0.4 -0.876 23.0-125.6-102.2 133.6 -40.6 85.7 22.6 81 107 A S >> - 0 0 2 -2,-0.4 4,-1.3 1,-0.2 3,-1.2 -0.705 15.0-154.0 -79.6 112.0 -42.5 83.4 20.3 82 108 A W H >> S+ 0 0 1 -2,-0.8 4,-3.3 1,-0.3 3,-0.7 0.896 93.9 49.1 -52.4 -49.1 -44.9 85.6 18.3 83 109 A A H 34 S+ 0 0 0 41,-0.6 -53,-2.6 1,-0.2 -1,-0.3 0.650 104.3 59.6 -72.6 -15.6 -47.4 82.8 17.7 84 110 A R H <4 S+ 0 0 1 -3,-1.2 14,-0.5 -55,-0.3 -1,-0.2 0.792 118.0 31.5 -73.6 -30.7 -47.4 81.9 21.4 85 111 A V H << S+ 0 0 0 -4,-1.3 10,-3.0 -3,-0.7 -2,-0.2 0.857 136.5 23.7 -91.1 -47.3 -48.6 85.5 22.2 86 112 A L S >< S- 0 0 1 -4,-3.3 3,-2.3 8,-0.2 -1,-0.3 -0.856 71.0-173.4-121.1 88.3 -50.6 86.3 19.1 87 113 A P T 3 S+ 0 0 18 0, 0.0 41,-0.2 0, 0.0 -1,-0.1 0.741 86.5 44.2 -62.6 -24.3 -51.7 82.9 17.7 88 114 A E T 3 S- 0 0 98 2,-0.4 2,-1.7 5,-0.4 3,-0.1 0.281 107.5-125.1 -96.4 2.4 -53.2 84.4 14.6 89 115 A G S < S+ 0 0 1 -3,-2.3 58,-0.0 1,-0.2 -1,-0.0 -0.294 87.3 88.9 83.1 -55.2 -50.3 86.8 14.0 90 116 A H S > S- 0 0 67 -2,-1.7 3,-0.7 1,-0.1 -2,-0.4 -0.311 92.0-112.4 -63.5 161.5 -52.6 89.8 13.9 91 117 A D T 3 S+ 0 0 69 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 0.255 90.3 100.2 -89.7 16.9 -53.3 91.4 17.3 92 118 A N T 3 S+ 0 0 110 1,-0.2 2,-0.5 -6,-0.1 -1,-0.2 0.815 86.5 39.2 -70.0 -31.6 -57.0 90.5 17.5 93 119 A I < - 0 0 87 -3,-0.7 2,-0.5 2,-0.0 -5,-0.4 -0.984 66.7-166.9-124.7 123.2 -56.4 87.6 19.9 94 120 A V - 0 0 64 -2,-0.5 2,-0.9 -8,-0.2 -8,-0.2 -0.942 21.3-135.3-106.7 124.9 -53.9 87.7 22.7 95 121 A N >> - 0 0 25 -10,-3.0 4,-1.9 -2,-0.5 3,-0.8 -0.717 10.2-160.5 -84.2 105.9 -53.1 84.3 24.2 96 122 A Q H 3> S+ 0 0 116 -2,-0.9 4,-2.9 1,-0.3 5,-0.2 0.829 90.2 61.1 -55.9 -35.3 -53.1 84.8 28.0 97 123 A D H 3> S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.901 105.6 46.9 -60.1 -40.6 -51.1 81.6 28.4 98 124 A G H <> S+ 0 0 0 -3,-0.8 4,-2.3 -14,-0.5 5,-0.3 0.913 111.7 50.1 -65.6 -44.0 -48.3 83.1 26.4 99 125 A I H X S+ 0 0 3 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.939 112.5 48.1 -55.9 -48.0 -48.5 86.3 28.4 100 126 A D H X S+ 0 0 70 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.902 109.0 54.2 -61.5 -42.8 -48.4 84.3 31.6 101 127 A Y H X S+ 0 0 10 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.951 111.9 41.6 -59.1 -53.4 -45.4 82.2 30.4 102 128 A Y H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.882 114.3 52.4 -67.7 -34.7 -43.2 85.2 29.6 103 129 A N H X S+ 0 0 30 -4,-2.5 4,-3.1 -5,-0.3 5,-0.3 0.925 108.9 51.5 -61.0 -42.0 -44.2 87.0 32.8 104 130 A N H X S+ 0 0 73 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.923 112.7 44.8 -60.7 -43.7 -43.4 83.9 34.8 105 131 A L H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.943 114.7 47.6 -64.7 -48.6 -39.9 83.7 33.2 106 132 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.927 114.0 47.0 -59.2 -45.9 -39.3 87.4 33.6 107 133 A N H X S+ 0 0 73 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.891 111.2 51.5 -66.3 -37.4 -40.4 87.4 37.2 108 134 A E H X S+ 0 0 54 -4,-2.2 4,-0.8 -5,-0.3 -1,-0.2 0.910 110.9 48.9 -64.4 -43.1 -38.3 84.3 37.9 109 135 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 3,-1.2 0.963 112.5 46.9 -58.2 -53.3 -35.2 86.0 36.4 110 136 A L H ><5S+ 0 0 73 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.877 107.5 55.9 -61.0 -37.0 -35.7 89.2 38.4 111 137 A A H 3<5S+ 0 0 81 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.709 110.5 47.4 -66.6 -20.4 -36.2 87.3 41.7 112 138 A N T <<5S- 0 0 40 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.198 122.0-106.9-105.1 12.0 -32.9 85.6 41.0 113 139 A G T < 5S+ 0 0 65 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.733 76.3 132.8 71.5 26.5 -31.1 88.9 40.2 114 140 A I < - 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