==== 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 3VIH . COMPND 2 MOLECULE: BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEOTERMES KOSHUNENSIS; . AUTHOR W.Y.JENG,C.I.LIU,A.H.J.WANG . 473 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17534.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 71.5 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 . 52 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 33.0 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 26 A D > 0 0 98 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 11.7 -4.1 93.7 34.1 2 27 A T G > + 0 0 102 1,-0.3 3,-1.8 2,-0.2 405,-0.0 0.921 360.0 53.9 -54.9 -47.7 -6.2 96.6 32.9 3 28 A V G 3 S+ 0 0 35 1,-0.3 -1,-0.3 404,-0.1 404,-0.2 0.593 109.8 51.1 -66.3 -10.5 -6.6 95.1 29.4 4 29 A Y G < S+ 0 0 41 -3,-1.3 463,-2.1 2,-0.1 2,-0.4 0.361 93.6 88.5-107.3 2.3 -8.0 91.9 31.1 5 30 A T B < S-A 466 0A 34 -3,-1.8 461,-0.2 -4,-0.3 460,-0.1 -0.857 73.1-126.5-109.1 135.1 -10.6 93.6 33.3 6 31 A F - 0 0 3 459,-2.4 -2,-0.1 -2,-0.4 -3,-0.0 -0.538 36.1-101.1 -73.5 139.9 -14.2 94.3 32.4 7 32 A P > - 0 0 44 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.284 36.6-112.4 -54.9 147.6 -15.4 97.9 32.8 8 33 A D T 3 S+ 0 0 143 1,-0.3 -2,-0.1 -3,-0.1 457,-0.0 0.831 114.7 42.0 -55.3 -38.8 -17.5 98.1 36.0 9 34 A E T 3 S+ 0 0 175 2,-0.1 -1,-0.3 406,-0.0 2,-0.1 0.458 85.0 120.9 -90.4 -1.8 -20.8 98.8 34.2 10 35 A F < - 0 0 4 -3,-1.4 2,-0.5 1,-0.1 405,-0.2 -0.394 58.3-135.6 -65.4 136.1 -20.3 96.2 31.5 11 36 A K E -b 415 0B 58 403,-1.8 405,-2.6 -2,-0.1 2,-0.4 -0.861 19.7-170.3-104.6 126.5 -23.1 93.5 31.4 12 37 A L E +b 416 0B 2 -2,-0.5 63,-3.1 403,-0.2 64,-1.0 -0.891 27.0 110.1-112.4 140.3 -22.2 89.8 31.0 13 38 A G E -bc 417 76B 0 403,-2.2 405,-2.3 -2,-0.4 2,-0.3 -0.845 51.4 -84.9-170.8-148.8 -24.7 87.0 30.4 14 39 A A E -bc 418 77B 0 62,-1.3 64,-2.3 403,-0.3 2,-0.3 -0.920 28.3-139.3-145.3 165.2 -26.1 84.4 28.0 15 40 A A E +bc 419 78B 0 403,-2.4 406,-1.7 -2,-0.3 405,-0.6 -0.931 18.0 166.6-135.8 150.8 -28.7 84.2 25.2 16 41 A T - 0 0 0 62,-2.3 2,-0.3 -2,-0.3 408,-0.0 -0.846 23.3-132.3-143.7 179.9 -31.4 81.9 23.7 17 42 A A > - 0 0 0 -2,-0.3 4,-1.1 62,-0.2 3,-0.3 -0.988 24.0-116.6-140.9 149.8 -34.3 82.2 21.2 18 43 A S H >> S+ 0 0 0 -2,-0.3 4,-2.9 1,-0.3 3,-0.9 0.879 109.5 41.6 -57.2 -55.2 -37.9 81.0 21.5 19 44 A Y H 34 S+ 0 0 12 104,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.834 112.7 57.6 -65.5 -31.4 -38.2 78.4 18.8 20 45 A Q H 34 S+ 0 0 1 -3,-0.3 405,-2.4 1,-0.1 -1,-0.3 0.772 126.0 11.6 -69.4 -22.9 -34.8 77.0 19.7 21 46 A I H << S+ 0 0 7 -4,-1.1 37,-2.5 -3,-0.9 35,-0.4 0.656 108.2 72.0-125.0 -27.8 -35.7 76.3 23.4 22 47 A E < + 0 0 7 -4,-2.9 37,-2.4 -5,-0.2 38,-0.4 0.856 54.1 179.4 -75.6 -40.4 -39.3 76.6 24.3 23 48 A G + 0 0 5 29,-0.4 31,-0.3 -5,-0.3 -1,-0.2 -0.418 45.4 108.3 63.7-147.2 -41.2 73.6 22.8 24 49 A A > + 0 0 8 29,-0.7 3,-1.2 1,-0.1 6,-0.2 0.884 46.3 172.1 46.5 45.6 -44.9 73.6 23.7 25 50 A W T 3 S+ 0 0 67 28,-1.1 -1,-0.1 1,-0.3 8,-0.1 0.693 74.8 17.6 -64.8 -25.0 -45.4 74.5 20.0 26 51 A D T > S+ 0 0 99 27,-0.2 3,-0.5 6,-0.1 -1,-0.3 0.104 96.6 129.6-130.2 23.2 -49.2 74.2 20.1 27 52 A E G X S- 0 0 65 -3,-1.2 3,-1.8 1,-0.2 4,-0.0 -0.555 72.1 -5.5 -85.6 142.7 -49.9 74.4 23.8 28 53 A N G 3 S- 0 0 88 1,-0.3 -1,-0.2 -2,-0.3 70,-0.2 0.851 132.4 -42.1 48.6 49.0 -52.4 76.6 25.5 29 54 A G G < S+ 0 0 48 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.347 88.2 152.4 89.2 -4.0 -53.5 78.6 22.5 30 55 A K < - 0 0 15 -3,-1.8 -1,-0.3 -6,-0.2 55,-0.3 -0.381 37.1-137.1 -60.6 133.8 -50.1 79.2 20.7 31 56 A G - 0 0 7 53,-2.5 2,-0.2 1,-0.1 58,-0.1 -0.421 26.5 -87.2 -87.0 166.5 -50.6 79.6 17.0 32 57 A P - 0 0 67 0, 0.0 96,-2.6 0, 0.0 97,-0.5 -0.465 40.7-163.9 -78.2 144.0 -48.4 78.0 14.3 33 58 A N B > -J 127 0C 1 94,-0.3 4,-2.3 -2,-0.2 3,-0.2 -0.669 38.4 -94.4-116.5 176.0 -45.3 79.7 13.0 34 59 A I H > S+ 0 0 5 92,-2.3 4,-2.1 1,-0.2 91,-0.1 0.705 123.7 53.9 -67.4 -20.6 -43.1 79.2 10.0 35 60 A W H > S+ 0 0 2 2,-0.2 4,-2.5 91,-0.2 5,-0.3 0.830 105.7 52.3 -82.7 -35.0 -40.7 77.0 11.9 36 61 A D H > S+ 0 0 2 -3,-0.2 4,-2.0 2,-0.2 5,-0.3 0.952 113.5 47.0 -53.8 -49.2 -43.6 74.7 13.0 37 62 A T H X S+ 0 0 29 -4,-2.3 4,-2.8 1,-0.2 5,-0.4 0.938 113.3 46.2 -60.9 -48.7 -44.4 74.6 9.3 38 63 A L H X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.2 7,-0.2 0.944 115.9 43.3 -60.8 -51.0 -40.9 73.9 8.1 39 64 A T H < S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.805 120.1 42.8 -72.6 -26.3 -40.1 71.2 10.5 40 65 A H H < S+ 0 0 72 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.877 126.1 29.6 -80.8 -41.2 -43.5 69.5 10.2 41 66 A E H < S+ 0 0 131 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.744 129.4 34.7 -91.6 -27.8 -43.9 69.7 6.4 42 67 A H >< + 0 0 60 -4,-2.6 3,-2.5 -5,-0.4 4,-0.3 -0.404 56.5 151.0-129.7 59.2 -40.2 69.6 5.3 43 68 A P G > S+ 0 0 59 0, 0.0 3,-1.6 0, 0.0 6,-0.5 0.773 71.8 72.9 -61.1 -21.9 -38.3 67.3 7.7 44 69 A D G 3 S+ 0 0 131 1,-0.3 4,-0.1 -3,-0.1 -5,-0.1 0.610 90.4 58.8 -65.1 -13.9 -36.0 66.6 4.7 45 70 A Y G < S+ 0 0 37 -3,-2.5 2,-0.4 -7,-0.2 -1,-0.3 0.569 100.6 67.4 -85.0 -12.2 -34.6 70.2 5.1 46 71 A V S X S- 0 0 9 -3,-1.6 3,-2.4 -4,-0.3 383,-0.2 -0.908 91.6-104.4-118.5 137.0 -33.4 69.5 8.7 47 72 A V G > S+ 0 0 40 381,-2.7 3,-1.7 -2,-0.4 384,-0.3 -0.320 108.8 0.1 -55.6 131.7 -30.7 67.2 10.0 48 73 A D G 3 S- 0 0 139 1,-0.3 -1,-0.3 382,-0.1 3,-0.1 0.546 115.5 -86.9 67.7 6.6 -32.3 64.1 11.6 49 74 A G G < S+ 0 0 31 -3,-2.4 -1,-0.3 -6,-0.5 -2,-0.2 0.850 76.7 177.9 57.3 31.7 -35.8 65.5 10.6 50 75 A A < - 0 0 12 -3,-1.7 2,-0.3 -7,-0.2 -1,-0.2 -0.257 13.0-165.4 -65.6 153.3 -35.6 67.3 14.0 51 76 A T - 0 0 37 -3,-0.1 4,-0.5 -11,-0.0 3,-0.4 -0.930 30.7-127.9-131.2 164.3 -38.3 69.6 15.2 52 77 A G S S+ 0 0 2 -2,-0.3 -29,-0.4 1,-0.2 -27,-0.1 0.095 71.4 119.3 -90.9 24.2 -38.7 72.3 17.9 53 78 A D S S- 0 0 49 1,-0.1 -28,-1.1 -30,-0.1 -29,-0.7 0.870 100.3 -2.1 -58.7 -37.7 -41.8 70.6 19.2 54 79 A I S > S+ 0 0 84 -3,-0.4 3,-2.6 -31,-0.3 4,-0.2 0.683 85.2 156.2-116.9 -49.6 -40.2 70.1 22.5 55 80 A A T 3 S- 0 0 1 -4,-0.5 -34,-0.2 1,-0.3 -33,-0.1 -0.278 85.0 -19.4 54.1-131.2 -36.6 71.4 22.2 56 81 A D T 3 S- 0 0 0 -35,-0.4 -1,-0.3 -36,-0.2 -34,-0.2 0.429 86.0-126.5 -83.7 -0.3 -35.4 72.3 25.8 57 82 A D X> + 0 0 28 -3,-2.6 4,-2.5 -36,-0.1 3,-1.3 0.790 53.9 156.2 58.5 32.4 -39.0 72.4 27.0 58 83 A S H 3> + 0 0 0 -37,-2.5 4,-0.8 1,-0.3 -36,-0.2 0.687 61.4 71.6 -67.1 -15.6 -38.3 75.9 28.4 59 84 A Y H 34 S+ 0 0 21 -37,-2.4 -1,-0.3 -5,-0.2 3,-0.1 0.912 117.1 22.5 -59.3 -40.7 -42.0 76.7 28.2 60 85 A H H <4 S+ 0 0 85 -3,-1.3 3,-0.3 -38,-0.4 -2,-0.2 0.787 129.1 48.1 -90.4 -31.1 -42.3 74.3 31.1 61 86 A L H >X + 0 0 36 -4,-2.5 4,-1.4 1,-0.2 3,-1.4 0.102 65.9 122.9-104.3 21.2 -38.8 74.5 32.5 62 87 A Y H 3X S+ 0 0 33 -4,-0.8 4,-2.2 1,-0.3 -1,-0.2 0.810 72.9 58.8 -56.6 -32.6 -38.1 78.2 32.6 63 88 A K H 3> S+ 0 0 116 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.856 103.2 53.1 -66.8 -31.7 -37.4 78.1 36.3 64 89 A E H <> S+ 0 0 96 -3,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.854 106.4 53.5 -67.2 -35.6 -34.5 75.7 35.5 65 90 A D H X S+ 0 0 2 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.925 109.3 47.7 -62.8 -44.2 -33.2 78.2 33.0 66 91 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.904 108.2 56.6 -63.3 -39.9 -33.2 80.9 35.6 67 92 A K H X S+ 0 0 135 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.920 109.9 43.5 -55.9 -47.0 -31.4 78.5 38.0 68 93 A I H X S+ 0 0 12 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.861 111.4 54.4 -72.3 -32.6 -28.6 77.9 35.6 69 94 A L H X>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 4,-1.4 0.903 109.6 48.3 -61.0 -40.9 -28.3 81.6 34.8 70 95 A K H <5S+ 0 0 123 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.911 111.2 49.7 -66.1 -42.7 -28.0 82.3 38.6 71 96 A E H <5S+ 0 0 118 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.906 111.0 50.1 -60.1 -43.8 -25.3 79.6 38.9 72 97 A L H <5S- 0 0 2 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.796 110.5-125.7 -62.7 -30.7 -23.5 81.1 36.0 73 98 A G T <5 + 0 0 40 -4,-1.4 -3,-0.2 1,-0.2 -61,-0.1 0.693 42.4 177.8 83.7 24.3 -23.7 84.5 37.6 74 99 A A < - 0 0 6 -5,-2.1 -61,-0.2 -6,-0.2 -1,-0.2 -0.345 24.0-166.3 -58.8 134.1 -25.3 86.1 34.5 75 100 A Q S S+ 0 0 76 -63,-3.1 41,-2.7 1,-0.2 2,-0.3 0.710 78.2 29.2 -85.5 -27.8 -26.2 89.8 34.9 76 101 A V E -cd 13 116B 0 -64,-1.0 -62,-1.3 39,-0.2 2,-0.5 -0.991 62.9-158.7-136.1 139.9 -28.4 89.7 31.7 77 102 A Y E -cd 14 117B 0 39,-2.6 41,-2.6 -2,-0.3 2,-0.6 -0.983 10.8-158.0-120.0 116.7 -30.4 87.0 30.0 78 103 A R E +cd 15 118B 0 -64,-2.3 -62,-2.3 -2,-0.5 2,-0.3 -0.848 28.0 152.7 -92.3 121.8 -31.2 87.6 26.3 79 104 A F E - d 0 119B 3 39,-2.3 41,-2.7 -2,-0.6 2,-0.3 -0.906 33.9-124.0-139.9 166.1 -34.2 85.7 25.2 80 105 A S E - d 0 120B 2 -2,-0.3 2,-0.4 39,-0.2 41,-0.2 -0.798 14.2-127.0-114.7 159.6 -36.9 86.1 22.5 81 106 A I - 0 0 0 39,-2.1 2,-0.8 -2,-0.3 42,-0.4 -0.873 23.0-125.0-103.0 133.5 -40.6 86.2 22.5 82 107 A S >> - 0 0 2 -2,-0.4 4,-1.3 1,-0.2 3,-1.2 -0.713 14.9-154.1 -78.7 111.2 -42.6 83.9 20.3 83 108 A W H >> S+ 0 0 1 -2,-0.8 4,-3.3 1,-0.3 3,-0.7 0.903 94.1 48.5 -52.7 -48.1 -45.0 86.2 18.2 84 109 A A H 34 S+ 0 0 0 41,-0.6 -53,-2.5 1,-0.3 -1,-0.3 0.657 104.3 59.6 -74.2 -15.0 -47.5 83.4 17.7 85 110 A R H <4 S+ 0 0 1 -3,-1.2 14,-0.5 -55,-0.3 -1,-0.3 0.796 118.0 31.7 -73.4 -30.1 -47.5 82.5 21.4 86 111 A V H << S+ 0 0 0 -4,-1.3 10,-3.0 -3,-0.7 -2,-0.2 0.856 136.6 23.4 -91.2 -46.7 -48.7 86.0 22.2 87 112 A L S >< S- 0 0 1 -4,-3.3 3,-2.2 8,-0.2 -1,-0.3 -0.855 70.9-173.6-122.3 87.3 -50.8 86.8 19.1 88 113 A P T 3 S+ 0 0 18 0, 0.0 41,-0.3 0, 0.0 -1,-0.1 0.755 86.7 44.7 -60.9 -25.5 -51.8 83.4 17.7 89 114 A E T 3 S- 0 0 99 2,-0.4 2,-1.6 5,-0.4 3,-0.1 0.329 107.4-125.4 -96.4 3.0 -53.3 84.9 14.6 90 115 A G S < S+ 0 0 1 -3,-2.2 -1,-0.1 1,-0.2 58,-0.0 -0.313 87.1 88.5 82.2 -55.2 -50.4 87.3 14.0 91 116 A H S > S- 0 0 68 -2,-1.6 3,-0.6 1,-0.1 -2,-0.4 -0.311 91.9-112.5 -63.0 160.4 -52.7 90.3 14.0 92 117 A D T 3 S+ 0 0 69 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 0.254 90.1 100.5 -89.6 15.7 -53.4 92.0 17.3 93 118 A N T 3 S+ 0 0 111 1,-0.2 2,-0.5 -6,-0.1 -1,-0.2 0.834 86.6 38.3 -67.5 -32.6 -57.1 91.1 17.5 94 119 A I < - 0 0 87 -3,-0.6 2,-0.5 2,-0.0 -5,-0.4 -0.979 67.1-166.1-125.5 123.3 -56.5 88.2 19.9 95 120 A V - 0 0 61 -2,-0.5 2,-0.9 -8,-0.2 -8,-0.2 -0.930 20.6-135.5-107.2 126.2 -54.0 88.2 22.7 96 121 A N >> - 0 0 25 -10,-3.0 4,-2.0 -2,-0.5 3,-0.8 -0.729 10.8-161.8 -84.6 104.5 -53.2 84.9 24.2 97 122 A Q H 3> S+ 0 0 109 -2,-0.9 4,-3.0 1,-0.3 5,-0.2 0.814 89.2 62.5 -58.8 -31.5 -53.2 85.3 28.0 98 123 A D H 3> S+ 0 0 41 -70,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.907 105.9 46.3 -59.8 -41.3 -51.3 82.1 28.4 99 124 A G H <> S+ 0 0 0 -3,-0.8 4,-2.3 -14,-0.5 5,-0.3 0.912 111.7 50.3 -65.1 -43.4 -48.4 83.7 26.4 100 125 A I H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.951 112.4 48.1 -56.6 -48.4 -48.6 86.9 28.4 101 126 A D H X S+ 0 0 71 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.883 109.2 53.8 -59.4 -44.3 -48.5 84.9 31.6 102 127 A Y H X S+ 0 0 10 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.952 112.1 41.7 -59.5 -52.0 -45.5 82.8 30.5 103 128 A Y H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.885 114.3 52.5 -69.1 -34.4 -43.3 85.7 29.6 104 129 A N H X S+ 0 0 30 -4,-2.5 4,-3.0 -5,-0.3 5,-0.3 0.921 109.0 51.1 -60.9 -42.6 -44.3 87.5 32.8 105 130 A N H X S+ 0 0 73 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.927 112.6 45.1 -60.7 -43.5 -43.4 84.4 34.8 106 131 A L H X S+ 0 0 5 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.946 114.7 47.9 -64.5 -49.0 -40.0 84.2 33.2 107 132 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.932 113.7 46.9 -58.2 -47.5 -39.4 88.0 33.6 108 133 A N H X S+ 0 0 72 -4,-3.0 4,-2.3 -5,-0.2 -1,-0.2 0.881 111.4 51.2 -64.0 -39.9 -40.5 87.9 37.2 109 134 A E H X S+ 0 0 53 -4,-2.2 4,-0.9 -5,-0.3 -2,-0.2 0.926 110.8 49.3 -62.6 -44.2 -38.3 84.9 37.9 110 135 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 3,-1.1 0.962 113.0 45.8 -57.1 -53.5 -35.3 86.5 36.4 111 136 A L H ><5S+ 0 0 73 -4,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.872 107.7 56.8 -62.7 -38.0 -35.7 89.7 38.4 112 137 A A H 3<5S+ 0 0 83 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.722 110.8 46.7 -62.6 -22.4 -36.4 87.8 41.6 113 138 A N T <<5S- 0 0 40 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.176 122.5-105.6-106.2 13.5 -33.0 86.2 41.0 114 139 A G T < 5S+ 0 0 66 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.706 77.2 131.5 72.5 25.2 -31.2 89.5 40.2 115 140 A I < - 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