==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-DEC-12 4IIG . COMPND 2 MOLECULE: BETA-GLUCOSIDASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ACULEATUS; . AUTHOR K.SUZUKI,J.SUMITANI,T.KAWAGUCHI,S.FUSHINOBU . 1666 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52993.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1061 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 118 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 3 0.2 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 . 140 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 195 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 44 2.6 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 4 6 2 7 5 2 4 0 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 6 4 4 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 PARALLEL BRIDGES PER LADDER . 12 6 4 8 2 0 0 2 2 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 . 8 2 8 0 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 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 22 A L 0 0 157 0, 0.0 601,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.0 29.0 -44.0 33.8 2 23 A A - 0 0 32 194,-0.1 2,-0.3 1,-0.1 228,-0.0 -0.149 360.0-155.6 -51.6 140.9 29.0 -40.8 35.9 3 24 A F - 0 0 149 230,-0.0 229,-0.2 229,-0.0 230,-0.1 -0.956 11.8-140.4-128.6 144.8 25.8 -40.7 38.0 4 25 A S - 0 0 21 227,-0.4 235,-0.2 -2,-0.3 236,-0.1 -0.892 22.5-137.0-114.3 106.3 23.9 -37.7 39.5 5 26 A P - 0 0 54 0, 0.0 235,-0.2 0, 0.0 2,-0.1 -0.175 26.5-105.9 -61.0 147.9 22.4 -38.5 43.0 6 27 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 232,-0.0 -0.384 29.7-170.8 -74.0 151.0 18.9 -37.2 43.7 7 28 A F - 0 0 53 -2,-0.1 236,-0.2 705,-0.0 237,-0.1 -0.838 23.4-150.1-144.5 109.3 18.2 -34.3 46.0 8 29 A Y + 0 0 44 -2,-0.3 704,-0.2 702,-0.2 2,-0.2 -0.959 53.0 37.3-139.6 155.3 14.6 -33.6 46.9 9 30 A P S S- 0 0 4 0, 0.0 703,-0.1 0, 0.0 704,-0.1 0.507 77.3-116.2 -84.3 174.8 12.4 -31.9 47.7 10 31 A S - 0 0 1 702,-0.4 263,-0.1 261,-0.2 -2,-0.1 -0.613 40.3-114.1 -72.5 108.6 12.9 -28.7 45.6 11 32 A P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.105 28.0-136.0 -49.9 136.1 13.5 -25.9 48.2 12 33 A W - 0 0 24 1,-0.1 296,-0.1 -3,-0.0 300,-0.0 -0.659 26.1 -95.1 -95.3 151.1 10.8 -23.2 48.4 13 34 A A - 0 0 3 -2,-0.3 -1,-0.1 298,-0.1 240,-0.1 -0.211 34.8-176.3 -57.3 150.3 11.5 -19.5 48.7 14 35 A N - 0 0 97 640,-0.0 3,-0.1 2,-0.0 -1,-0.1 0.228 50.7-100.0-134.9 16.4 11.6 -18.0 52.2 15 36 A G - 0 0 10 1,-0.2 5,-0.3 4,-0.1 6,-0.1 0.805 53.9-164.9 63.6 27.3 12.0 -14.3 51.9 16 37 A Q > - 0 0 44 3,-0.2 3,-2.4 2,-0.1 -1,-0.2 -0.207 43.5 -58.3 -46.8 123.0 15.8 -14.8 52.7 17 38 A G G > S+ 0 0 54 1,-0.3 3,-1.3 2,-0.2 709,-0.0 0.004 131.8 17.6 50.9-112.5 17.5 -11.5 53.7 18 39 A E G 3 S+ 0 0 117 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.555 120.9 67.3 -72.1 -7.3 17.3 -8.8 51.0 19 40 A W G <> S+ 0 0 7 -3,-2.4 4,-3.1 1,-0.1 5,-0.3 0.412 70.9 100.6 -84.3 -5.2 14.4 -10.8 49.4 20 41 A A H <> S+ 0 0 41 -3,-1.3 4,-2.3 -5,-0.3 5,-0.2 0.946 85.0 38.5 -54.6 -58.4 11.9 -10.2 52.3 21 42 A E H > S+ 0 0 137 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 117.6 49.3 -61.6 -45.3 9.9 -7.4 50.8 22 43 A A H > S+ 0 0 6 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.893 111.9 50.6 -61.3 -41.4 9.8 -8.9 47.2 23 44 A Y H X S+ 0 0 34 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.931 108.7 51.3 -59.6 -45.3 8.8 -12.3 48.6 24 45 A Q H X S+ 0 0 114 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.924 114.0 43.8 -62.6 -46.1 5.9 -10.7 50.6 25 46 A R H X S+ 0 0 76 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.882 111.9 52.3 -67.4 -37.9 4.6 -9.0 47.6 26 47 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.928 111.3 48.1 -62.7 -42.7 5.0 -12.0 45.4 27 48 A V H X S+ 0 0 23 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.928 109.7 52.0 -63.3 -47.0 3.0 -14.1 47.9 28 49 A A H < S+ 0 0 57 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.909 116.5 40.0 -59.8 -39.8 0.3 -11.5 48.1 29 50 A I H >< S+ 0 0 24 -4,-2.3 3,-0.9 2,-0.2 -2,-0.2 0.887 114.3 50.1 -78.2 -37.0 -0.1 -11.4 44.3 30 51 A V H >< S+ 0 0 0 -4,-3.2 3,-2.2 1,-0.3 -2,-0.2 0.899 102.0 65.1 -69.1 -31.8 0.3 -15.2 43.7 31 52 A S T 3< S+ 0 0 47 -4,-2.5 -1,-0.3 1,-0.3 631,-0.2 0.789 100.2 52.2 -56.2 -28.4 -2.4 -15.8 46.4 32 53 A Q T < S+ 0 0 114 -3,-0.9 -1,-0.3 -4,-0.5 2,-0.3 0.416 94.9 102.2 -85.2 1.3 -4.9 -14.1 44.1 33 54 A M < - 0 0 6 -3,-2.2 629,-0.2 -4,-0.1 2,-0.1 -0.629 65.1-131.5-103.9 147.4 -4.1 -16.3 41.1 34 55 A T > - 0 0 49 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.428 36.9-105.7 -80.4 160.4 -5.8 -19.2 39.4 35 56 A L H > S+ 0 0 0 627,-0.3 4,-2.5 1,-0.2 5,-0.2 0.891 121.9 51.4 -52.6 -45.3 -3.7 -22.3 38.6 36 57 A D H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.826 107.2 53.3 -70.1 -32.4 -3.7 -21.4 34.9 37 58 A E H > S+ 0 0 21 2,-0.2 4,-1.3 -3,-0.2 -1,-0.2 0.959 110.1 48.1 -56.1 -53.6 -2.5 -17.9 35.6 38 59 A K H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 3,-0.4 0.895 110.7 51.0 -52.9 -49.5 0.4 -19.4 37.7 39 60 A V H >X S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 4,-0.9 0.922 101.9 61.8 -56.1 -42.4 1.2 -21.8 34.8 40 61 A N H >< S+ 0 0 29 -4,-2.0 17,-0.8 1,-0.3 3,-0.7 0.851 101.4 52.9 -52.9 -41.4 1.2 -18.8 32.4 41 62 A L H 3< S+ 0 0 0 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.781 109.8 49.7 -62.5 -31.1 4.2 -17.3 34.5 42 63 A T H << S+ 0 0 0 -3,-1.2 235,-3.0 -4,-0.9 2,-0.4 0.574 104.4 60.3 -87.5 -12.4 6.2 -20.5 34.1 43 64 A T B << S-a 277 0A 7 -4,-0.9 14,-0.6 -3,-0.7 235,-0.2 -0.968 72.2-130.5-133.2 125.5 5.9 -21.2 30.4 44 65 A G B -B 56 0B 0 233,-2.6 12,-0.3 -2,-0.4 3,-0.1 -0.135 27.6-121.0 -58.7 162.2 7.1 -19.2 27.3 45 66 A T - 0 0 3 10,-2.6 637,-1.9 1,-0.3 235,-0.2 0.434 64.9 -72.5 -96.4 2.7 4.4 -18.8 24.6 46 67 A G > - 0 0 7 233,-2.2 3,-1.8 9,-0.3 4,-0.4 -0.161 65.7 -54.7 120.8 147.9 6.4 -20.5 21.7 47 68 A W T 3 S- 0 0 42 1,-0.3 6,-0.1 236,-0.2 7,-0.1 -0.313 120.1 -10.1 -57.4 120.4 9.4 -19.7 19.5 48 69 A E T 3 S+ 0 0 42 4,-0.3 300,-2.8 5,-0.2 -1,-0.3 0.736 94.7 124.7 64.5 26.4 8.8 -16.2 17.7 49 70 A L S < S+ 0 0 0 -3,-1.8 298,-0.2 298,-0.2 -2,-0.1 0.747 78.5 12.1 -82.4 -29.6 5.2 -16.0 18.8 50 71 A E S S- 0 0 31 -4,-0.4 297,-0.3 2,-0.3 287,-0.1 -0.201 101.5 -71.6-128.3-145.7 5.6 -12.6 20.4 51 72 A K S S+ 0 0 25 284,-0.1 285,-2.3 -2,-0.1 2,-0.1 0.856 97.0 61.8 -86.9 -39.3 8.3 -9.9 20.5 52 73 A a S S- 0 0 4 283,-0.1 -4,-0.3 15,-0.1 -2,-0.3 -0.468 86.4-110.0 -98.2 158.3 11.2 -11.2 22.6 53 74 A V S S+ 0 0 5 16,-0.2 2,-0.3 1,-0.2 -5,-0.2 0.825 115.7 20.4 -57.4 -29.6 13.6 -14.1 22.3 54 75 A G E S+C 69 0C 0 15,-2.4 15,-3.1 224,-0.1 2,-0.3 -0.991 79.3 171.4-131.2 145.8 11.7 -15.4 25.2 55 76 A Q E -C 68 0C 19 224,-0.4 -10,-2.6 -2,-0.3 -9,-0.3 -0.959 17.5-156.4-154.9 129.2 8.2 -14.3 26.3 56 77 A T B -B 44 0B 0 11,-2.1 -12,-0.2 -2,-0.3 -15,-0.1 -0.582 27.9-121.6 -95.7 169.8 5.5 -15.4 28.8 57 78 A G - 0 0 23 -17,-0.8 9,-0.4 -14,-0.6 -16,-0.1 0.598 44.0-155.0 -84.1 -13.7 1.8 -14.7 28.5 58 79 A G - 0 0 0 -18,-0.4 7,-0.2 7,-0.2 -1,-0.2 -0.169 30.2 -72.5 65.2-164.1 1.6 -12.9 31.9 59 80 A V B > -F 64 0D 0 5,-1.9 5,-2.7 1,-0.1 3,-0.2 -0.841 44.7-179.4-131.0 88.2 -1.6 -12.5 34.0 60 81 A P T > 5S+ 0 0 103 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.905 79.8 58.9 -62.0 -38.4 -3.9 -10.1 32.2 61 82 A R T 3 5S+ 0 0 145 1,-0.3 -2,-0.0 2,-0.1 -28,-0.0 0.905 112.1 41.0 -59.1 -36.8 -6.6 -10.3 34.9 62 83 A L T 3 5S- 0 0 28 -3,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.312 118.0-111.6 -95.7 16.4 -4.1 -9.2 37.5 63 84 A N T < 5 + 0 0 155 -3,-2.0 2,-0.6 1,-0.2 -2,-0.1 0.877 68.4 144.1 58.6 41.1 -2.5 -6.5 35.2 64 85 A I B < -F 59 0D 10 -5,-2.7 -5,-1.9 3,-0.0 -1,-0.2 -0.952 43.6-139.3-110.4 116.2 0.8 -8.4 34.9 65 86 A G - 0 0 15 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.355 33.4 -87.2 -72.0 150.7 2.3 -8.0 31.4 66 87 A G - 0 0 13 -9,-0.4 2,-0.4 -8,-0.2 -9,-0.2 -0.291 50.8-108.1 -52.0 140.4 3.9 -11.0 29.7 67 88 A M - 0 0 2 -3,-0.1 -11,-2.1 -26,-0.1 2,-0.5 -0.671 28.7-150.6 -78.2 126.6 7.6 -11.2 30.7 68 89 A a E -C 55 0C 0 -2,-0.4 49,-2.0 -13,-0.2 50,-1.8 -0.922 12.3-170.7-104.0 121.0 9.9 -10.2 27.9 69 90 A L E +Cd 54 118C 0 -15,-3.1 -15,-2.4 -2,-0.5 2,-0.4 -0.971 11.2 177.6-115.9 128.7 13.4 -12.0 28.0 70 91 A Q E - d 0 119C 0 48,-2.4 50,-2.6 -2,-0.4 -18,-0.0 -0.994 18.4 -96.2-140.8 136.5 16.0 -10.8 25.6 71 92 A D + 0 0 8 -2,-0.4 6,-2.5 48,-0.2 50,-0.1 -0.310 57.2 63.4 -66.9 166.2 19.7 -11.6 24.8 72 93 A S > - 0 0 0 4,-0.4 3,-1.2 48,-0.3 49,-0.2 0.676 39.2-149.3-135.3-179.1 22.5 -10.7 25.2 73 94 A P T 3 S+ 0 0 4 0, 0.0 48,-0.1 0, 0.0 50,-0.1 0.549 108.3 39.8 -64.6 -6.1 25.2 -10.3 28.0 74 95 A L T 3 S- 0 0 3 1,-0.4 11,-2.3 358,-0.1 2,-0.2 0.215 126.8 -32.9-129.8 11.9 26.7 -7.4 26.0 75 96 A G S < S- 0 0 0 -3,-1.2 -1,-0.4 9,-0.2 2,-0.2 -0.665 85.5 -49.6 149.4 162.3 23.7 -5.3 24.6 76 97 A I - 0 0 0 7,-0.3 358,-0.8 -2,-0.2 3,-0.5 -0.410 57.4-142.7 -64.6 126.6 20.2 -5.7 23.3 77 98 A R S S+ 0 0 25 -6,-2.5 356,-0.2 -2,-0.2 -24,-0.1 -0.525 70.9 7.4 -83.2 150.1 20.0 -8.4 20.7 78 99 A D S S+ 0 0 32 -2,-0.2 -1,-0.2 1,-0.2 260,-0.2 0.792 106.3 99.6 57.6 35.2 17.9 -8.3 17.5 79 100 A S - 0 0 3 -3,-0.5 2,-0.3 255,-0.1 -1,-0.2 -0.466 65.4-109.4-131.0-157.3 16.7 -4.7 18.0 80 101 A D S S+ 0 0 8 281,-0.2 283,-0.2 -2,-0.2 3,-0.1 -0.982 82.9 18.8-144.9 157.5 17.5 -1.2 16.7 81 102 A Y S S+ 0 0 15 -2,-0.3 282,-1.9 1,-0.2 283,-0.5 0.865 90.4 127.2 49.7 42.1 19.1 2.0 18.0 82 103 A N - 0 0 2 352,-0.3 2,-0.2 280,-0.1 -1,-0.2 -0.728 59.6-107.9-112.5 168.3 20.8 0.1 20.9 83 104 A S - 0 0 0 -2,-0.2 2,-0.5 352,-0.1 -7,-0.3 -0.622 14.3-139.6 -91.3 159.0 24.4 0.0 21.9 84 105 A A - 0 0 0 -2,-0.2 471,-2.1 -9,-0.1 472,-0.3 -0.932 25.9-162.6-116.7 109.9 27.0 -2.7 21.4 85 106 A F - 0 0 2 -11,-2.3 469,-0.2 -2,-0.5 348,-0.1 -0.337 30.0 -84.5 -88.0 165.6 29.2 -3.0 24.5 86 107 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 340,-0.1 -0.323 58.5 -93.8 -64.0 151.6 32.6 -4.8 24.8 87 108 A A >> - 0 0 0 465,-2.0 4,-1.3 338,-0.2 3,-0.9 -0.193 35.0-103.3 -60.7 160.9 32.4 -8.5 25.6 88 109 A G H 3> S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 50,-0.2 0.801 120.7 62.5 -59.7 -31.2 32.4 -9.9 29.1 89 110 A V H 3> S+ 0 0 4 48,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.868 100.1 54.3 -63.6 -33.3 36.1 -11.0 28.7 90 111 A N H <> S+ 0 0 0 -3,-0.9 4,-1.3 47,-0.3 -1,-0.2 0.909 104.7 53.2 -62.0 -42.1 37.0 -7.3 28.1 91 112 A V H >X>S+ 0 0 0 -4,-1.3 4,-0.9 1,-0.2 3,-0.8 0.948 108.5 51.6 -58.6 -41.3 35.3 -6.5 31.5 92 113 A A H ><5S+ 0 0 0 -4,-2.0 3,-1.3 47,-0.3 -1,-0.2 0.912 104.6 55.2 -60.3 -46.7 37.5 -9.2 33.0 93 114 A A H 3<5S+ 0 0 0 -4,-2.2 481,-2.3 1,-0.3 -1,-0.3 0.740 101.3 60.1 -58.1 -27.3 40.7 -7.5 31.4 94 115 A T H <<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.798 82.9-157.3 -71.4 -24.9 39.8 -4.2 33.2 95 116 A W T <<5 + 0 0 0 -3,-1.3 2,-0.6 -4,-0.9 -3,-0.1 0.853 50.0 136.3 44.9 34.6 40.0 -5.8 36.7 96 117 A D >< - 0 0 21 -5,-0.6 4,-2.1 1,-0.2 -1,-0.2 -0.912 42.8-171.7-121.1 102.2 37.7 -2.8 37.4 97 118 A K H > S+ 0 0 58 -2,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.864 90.5 53.7 -47.9 -47.7 34.6 -3.5 39.7 98 119 A N H > S+ 0 0 94 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.956 107.7 47.8 -65.3 -47.8 33.4 0.0 39.0 99 120 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.904 109.6 54.5 -60.7 -34.4 33.5 -0.4 35.2 100 121 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.925 112.5 43.5 -61.5 -45.9 31.7 -3.8 35.5 101 122 A Y H X S+ 0 0 52 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.950 113.3 50.9 -63.8 -51.0 28.9 -2.0 37.4 102 123 A L H X S+ 0 0 58 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.887 110.8 48.0 -58.4 -43.1 28.7 1.0 35.0 103 124 A R H X S+ 0 0 2 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.916 111.7 51.8 -60.8 -44.4 28.5 -1.3 32.0 104 125 A G H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.900 111.4 46.9 -54.1 -42.6 25.8 -3.2 33.8 105 126 A Q H X S+ 0 0 67 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.925 111.1 49.8 -71.0 -42.5 23.9 -0.0 34.5 106 127 A A H X S+ 0 0 4 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.928 113.8 47.2 -65.3 -40.8 24.2 1.3 30.9 107 128 A M H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.961 110.3 51.3 -62.7 -50.5 22.9 -2.1 29.6 108 129 A G H X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 5,-0.2 0.907 108.1 53.7 -55.8 -45.9 19.9 -2.3 32.1 109 130 A Q H X S+ 0 0 43 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.909 111.5 44.3 -47.7 -54.3 18.8 1.3 31.1 110 131 A E H X S+ 0 0 1 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.956 115.1 47.4 -61.9 -48.4 18.8 0.3 27.4 111 132 A F H ><>S+ 0 0 0 -4,-2.9 5,-1.8 1,-0.2 3,-1.7 0.967 113.5 50.2 -55.2 -50.3 16.9 -3.1 28.1 112 133 A S H ><5S+ 0 0 8 -4,-3.4 3,-1.8 1,-0.3 -1,-0.2 0.878 106.1 53.9 -53.1 -43.4 14.4 -1.3 30.3 113 134 A D H 3<5S+ 0 0 50 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.601 104.3 57.1 -76.0 -12.5 13.7 1.5 27.7 114 135 A K T <<5S- 0 0 0 -3,-1.7 219,-2.1 -4,-0.9 220,-0.3 0.458 120.2-106.5 -89.3 -0.9 12.9 -1.2 25.2 115 136 A G T < 5S+ 0 0 0 -3,-1.8 2,-0.4 -4,-0.4 -3,-0.2 0.758 72.7 145.8 76.0 25.1 10.2 -2.8 27.4 116 137 A I < - 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