==== 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 4IIC . COMPND 2 MOLECULE: BETA-GLUCOSIDASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ACULEATUS; . AUTHOR K.SUZUKI,J.SUMITANI,T.KAWAGUCHI,S.FUSHINOBU . 1665 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1064 63.9 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 . 4 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 . 139 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 190 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 296 17.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 45 2.7 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 5 4 6 2 6 3 1 8 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 0 152 0, 0.0 601,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.8 29.1 -43.9 33.6 2 23 A A - 0 0 33 194,-0.1 2,-0.3 1,-0.0 228,-0.0 -0.217 360.0-151.6 -45.7 146.0 29.1 -40.8 35.9 3 24 A F - 0 0 149 230,-0.0 229,-0.2 229,-0.0 230,-0.1 -0.966 10.7-141.8-132.0 145.4 25.9 -40.7 38.0 4 25 A S - 0 0 20 227,-0.4 235,-0.1 -2,-0.3 236,-0.1 -0.898 24.0-137.6-114.6 106.9 24.1 -37.7 39.4 5 26 A P - 0 0 55 0, 0.0 235,-0.2 0, 0.0 2,-0.1 -0.211 25.8-104.8 -69.6 153.8 22.6 -38.6 42.9 6 27 A P - 0 0 85 0, 0.0 2,-0.3 0, 0.0 232,-0.0 -0.370 29.4-171.8 -79.8 152.1 19.0 -37.3 43.7 7 28 A F - 0 0 51 -2,-0.1 236,-0.2 265,-0.0 237,-0.1 -0.814 23.4-153.7-144.4 110.5 18.2 -34.4 45.9 8 29 A Y + 0 0 43 -2,-0.3 703,-0.2 701,-0.2 2,-0.2 -0.948 53.5 42.2-138.2 151.9 14.6 -33.9 46.8 9 30 A P S S- 0 0 3 0, 0.0 702,-0.1 0, 0.0 703,-0.1 0.543 77.7-118.3 -85.0 170.8 12.4 -32.0 47.6 10 31 A S - 0 0 0 701,-0.4 263,-0.1 261,-0.2 -2,-0.1 -0.642 40.6-111.9 -68.5 114.2 12.9 -28.9 45.6 11 32 A P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.127 29.3-134.3 -57.8 139.7 13.5 -26.2 48.2 12 33 A W - 0 0 23 642,-0.2 642,-0.1 1,-0.1 296,-0.1 -0.678 25.3 -98.2 -91.6 148.7 10.8 -23.5 48.5 13 34 A A - 0 0 4 -2,-0.3 -1,-0.1 1,-0.1 240,-0.1 -0.151 35.5-179.8 -54.3 154.5 11.4 -19.8 48.7 14 35 A N - 0 0 91 639,-0.0 -1,-0.1 2,-0.0 6,-0.1 0.290 51.3 -97.9-145.0 17.8 11.3 -18.2 52.1 15 36 A G - 0 0 11 1,-0.2 5,-0.3 4,-0.1 4,-0.1 0.770 54.8-169.1 67.1 28.6 12.0 -14.5 51.9 16 37 A Q > - 0 0 48 3,-0.2 3,-2.5 2,-0.1 -1,-0.2 -0.205 45.6 -49.0 -53.3 130.5 15.7 -14.9 52.8 17 38 A G G > S+ 0 0 54 1,-0.3 3,-1.5 2,-0.2 708,-0.0 -0.119 133.2 12.5 54.7-117.3 17.7 -11.7 53.5 18 39 A E G 3 S+ 0 0 107 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.496 121.0 69.4 -76.7 -2.4 17.2 -8.9 50.9 19 40 A W G <> + 0 0 6 -3,-2.5 4,-2.9 1,-0.2 5,-0.3 0.438 66.8 102.6 -91.8 1.0 14.2 -10.9 49.4 20 41 A A H <> S+ 0 0 50 -3,-1.5 4,-2.0 -5,-0.3 5,-0.2 0.925 86.8 36.5 -54.1 -49.9 11.9 -10.4 52.4 21 42 A E H > S+ 0 0 139 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.930 117.3 49.4 -73.7 -44.5 9.8 -7.6 50.8 22 43 A A H > S+ 0 0 6 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.889 111.8 52.1 -58.5 -39.5 9.7 -9.0 47.2 23 44 A Y H X S+ 0 0 31 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.937 108.4 49.3 -66.8 -42.5 8.7 -12.4 48.6 24 45 A Q H X S+ 0 0 119 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.920 113.3 47.2 -62.4 -41.1 5.8 -11.0 50.6 25 46 A R H X S+ 0 0 77 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.914 111.7 49.5 -70.6 -36.5 4.5 -9.1 47.6 26 47 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.892 111.8 49.3 -63.2 -44.4 4.9 -12.2 45.3 27 48 A V H X S+ 0 0 20 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.939 108.6 53.8 -59.4 -42.7 3.0 -14.4 47.9 28 49 A A H < S+ 0 0 56 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.867 116.6 36.9 -63.3 -38.6 0.2 -11.8 48.2 29 50 A I H >< S+ 0 0 24 -4,-1.6 3,-1.0 2,-0.2 -1,-0.2 0.882 114.4 51.6 -86.1 -34.9 -0.4 -11.8 44.4 30 51 A V H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.841 101.7 65.4 -70.2 -28.9 0.2 -15.5 43.6 31 52 A S T 3< S+ 0 0 47 -4,-2.3 -1,-0.3 -5,-0.3 630,-0.2 0.766 101.7 51.1 -60.0 -25.9 -2.4 -16.2 46.4 32 53 A Q T < S+ 0 0 109 -3,-1.0 -1,-0.3 -4,-0.4 2,-0.3 0.408 94.5 98.4 -88.1 -4.5 -4.9 -14.5 44.2 33 54 A M < - 0 0 6 -3,-1.7 628,-0.3 -4,-0.2 2,-0.1 -0.647 67.0-128.2 -93.9 151.7 -4.2 -16.5 41.0 34 55 A T > - 0 0 51 -2,-0.3 4,-2.2 626,-0.1 5,-0.2 -0.324 36.4-103.2 -81.0 167.4 -5.9 -19.5 39.4 35 56 A L H > S+ 0 0 0 626,-0.3 4,-2.5 1,-0.2 5,-0.2 0.911 123.0 51.0 -63.3 -41.7 -3.8 -22.6 38.5 36 57 A D H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.817 108.9 52.3 -64.5 -34.1 -3.8 -21.7 34.8 37 58 A E H > S+ 0 0 23 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.946 109.8 47.9 -61.9 -51.7 -2.5 -18.2 35.7 38 59 A K H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 3,-0.4 0.919 111.6 50.9 -50.5 -46.6 0.3 -19.6 37.7 39 60 A V H >X S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 4,-0.9 0.916 102.4 60.9 -64.1 -37.2 1.2 -22.0 34.8 40 61 A N H >< S+ 0 0 30 -4,-2.0 17,-0.7 1,-0.3 3,-0.7 0.871 101.4 53.8 -55.9 -37.5 1.2 -19.0 32.4 41 62 A L H 3< S+ 0 0 0 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.761 109.5 48.4 -66.9 -31.5 4.0 -17.4 34.4 42 63 A T H << S+ 0 0 0 -3,-1.1 235,-3.2 -4,-0.9 2,-0.4 0.523 104.9 60.9 -87.0 -14.3 6.2 -20.6 34.1 43 64 A T B << S-a 277 0A 7 -4,-0.9 14,-0.6 -3,-0.7 235,-0.2 -0.965 73.1-131.5-127.6 128.8 5.9 -21.3 30.4 44 65 A G B -B 56 0B 0 233,-2.5 12,-0.3 -2,-0.4 3,-0.1 -0.329 26.7-118.6 -70.4 166.4 7.0 -19.3 27.3 45 66 A T - 0 0 3 10,-2.6 636,-2.3 1,-0.3 235,-0.2 0.418 64.9 -70.8 -90.5 1.3 4.4 -18.9 24.5 46 67 A G > - 0 0 7 233,-2.1 3,-1.9 9,-0.2 4,-0.5 -0.215 65.0 -57.3 119.7 147.6 6.4 -20.5 21.7 47 68 A W T 3 S- 0 0 42 1,-0.3 7,-0.1 236,-0.2 6,-0.1 -0.377 121.1 -10.2 -62.1 121.7 9.4 -19.8 19.5 48 69 A E T 3 S+ 0 0 41 4,-0.3 300,-2.4 5,-0.3 -1,-0.3 0.692 96.1 125.3 62.3 28.0 8.8 -16.3 17.7 49 70 A L S < S+ 0 0 0 -3,-1.9 298,-0.3 298,-0.2 -2,-0.1 0.804 78.5 11.3 -85.9 -29.2 5.2 -16.2 18.8 50 71 A E S S- 0 0 31 -4,-0.5 297,-0.3 2,-0.3 287,-0.2 -0.051 102.0 -72.6-124.5-136.9 5.5 -12.8 20.4 51 72 A K S S+ 0 0 27 284,-0.1 285,-2.3 285,-0.1 286,-0.2 0.833 96.3 65.6 -95.5 -34.6 8.3 -9.9 20.5 52 73 A a S S- 0 0 4 283,-0.1 -2,-0.3 284,-0.1 -4,-0.3 -0.433 86.5-109.8-102.0 158.1 11.1 -11.2 22.7 53 74 A V S S+ 0 0 5 1,-0.2 2,-0.3 16,-0.2 -5,-0.3 0.862 115.1 12.4 -48.5 -44.2 13.6 -14.0 22.4 54 75 A G E S+C 69 0C 0 15,-2.3 15,-3.1 224,-0.1 2,-0.3 -0.989 80.1 172.2-123.9 150.7 11.6 -15.6 25.3 55 76 A Q E -C 68 0C 17 -2,-0.3 -10,-2.6 224,-0.3 -9,-0.2 -0.956 17.2-153.8-157.0 132.1 8.2 -14.3 26.3 56 77 A T B -B 44 0B 0 11,-1.9 -12,-0.2 -2,-0.3 -15,-0.1 -0.629 27.3-119.6 -97.3 168.8 5.6 -15.6 28.8 57 78 A G - 0 0 24 -17,-0.7 9,-0.4 -14,-0.6 -16,-0.1 0.581 43.6-155.2 -80.0 -15.0 1.8 -14.8 28.6 58 79 A G - 0 0 0 -18,-0.4 7,-0.2 7,-0.2 -1,-0.2 -0.117 31.1 -73.8 64.8-161.1 1.6 -13.1 32.0 59 80 A V B > > -F 64 0D 0 5,-1.8 5,-2.2 1,-0.1 3,-1.0 -0.825 44.5-177.5-131.0 88.1 -1.6 -12.9 34.0 60 81 A P G > 5S+ 0 0 107 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.832 78.4 63.6 -68.0 -24.1 -3.9 -10.3 32.4 61 82 A R G 3 5S+ 0 0 146 1,-0.3 -2,-0.0 2,-0.1 -28,-0.0 0.841 111.7 38.3 -65.8 -32.6 -6.7 -10.6 35.0 62 83 A L G < 5S- 0 0 30 -3,-1.0 -1,-0.3 2,-0.1 3,-0.1 0.154 118.3-110.5-103.9 16.7 -4.2 -9.2 37.6 63 84 A N T < 5 + 0 0 154 -3,-1.7 2,-0.7 1,-0.2 -2,-0.1 0.866 68.0 146.1 64.4 37.4 -2.6 -6.7 35.1 64 85 A I B < -F 59 0D 11 -5,-2.2 -5,-1.8 -7,-0.1 -1,-0.2 -0.948 42.0-141.8-103.8 116.2 0.7 -8.7 35.0 65 86 A G - 0 0 16 -2,-0.7 -7,-0.2 -7,-0.2 -8,-0.1 -0.386 32.2 -87.0 -74.1 153.3 2.1 -8.2 31.5 66 87 A G - 0 0 12 -9,-0.4 2,-0.4 -8,-0.2 -9,-0.2 -0.244 51.0-106.7 -56.0 144.3 3.9 -11.2 29.8 67 88 A M - 0 0 1 -3,-0.1 -11,-1.9 -26,-0.1 2,-0.5 -0.676 28.1-149.1 -83.4 129.8 7.6 -11.3 30.8 68 89 A a E -C 55 0C 0 -2,-0.4 50,-2.0 -13,-0.2 49,-1.3 -0.860 13.7-170.8-101.5 119.2 9.9 -10.2 27.9 69 90 A L E +Cd 54 118C 0 -15,-3.1 -15,-2.3 -2,-0.5 2,-0.4 -0.973 10.5 178.1-111.6 126.5 13.3 -12.0 28.1 70 91 A Q E - d 0 119C 0 48,-2.4 50,-2.9 -2,-0.5 -18,-0.0 -0.977 18.1-103.1-133.2 137.5 16.0 -10.8 25.7 71 92 A D + 0 0 9 -2,-0.4 6,-2.4 48,-0.2 50,-0.1 -0.305 56.4 73.3 -60.1 161.1 19.7 -11.6 24.9 72 93 A S > - 0 0 0 4,-0.4 3,-1.2 48,-0.3 49,-0.2 0.675 37.4-155.6-134.1 175.6 22.5 -10.6 25.3 73 94 A P T 3 S+ 0 0 2 0, 0.0 48,-0.1 0, 0.0 3,-0.1 0.592 107.9 38.8 -59.7 -14.2 25.2 -10.3 28.0 74 95 A L T 3 S- 0 0 4 1,-0.5 11,-2.6 358,-0.1 2,-0.2 0.184 130.1 -34.6-123.7 15.8 26.7 -7.3 26.0 75 96 A G S < S- 0 0 0 -3,-1.2 -1,-0.5 9,-0.2 2,-0.2 -0.677 84.6 -49.9 147.1 161.8 23.7 -5.4 24.7 76 97 A I - 0 0 0 7,-0.3 358,-0.8 -2,-0.2 3,-0.5 -0.376 57.2-142.4 -65.3 128.7 20.1 -5.8 23.4 77 98 A R S S+ 0 0 23 -6,-2.4 356,-0.2 356,-0.2 -24,-0.1 -0.569 70.9 9.3 -88.0 152.0 20.0 -8.5 20.7 78 99 A D S S+ 0 0 30 -2,-0.2 -1,-0.2 1,-0.2 260,-0.2 0.826 106.2 99.3 59.7 36.2 17.8 -8.5 17.5 79 100 A S - 0 0 2 -3,-0.5 2,-0.3 255,-0.1 -1,-0.2 -0.549 64.8-108.3-135.9-161.2 16.6 -4.8 18.0 80 101 A D S S+ 0 0 8 -2,-0.2 283,-0.2 281,-0.2 3,-0.1 -0.968 80.9 18.2-141.1 157.3 17.3 -1.3 16.9 81 102 A Y S S+ 0 0 14 -2,-0.3 282,-2.0 1,-0.2 283,-0.6 0.818 90.3 126.1 52.9 49.3 18.9 2.0 18.1 82 103 A N - 0 0 2 352,-0.3 2,-0.2 280,-0.2 -1,-0.2 -0.692 59.9-106.5-123.3 169.0 20.7 0.1 20.9 83 104 A S - 0 0 0 -2,-0.2 2,-0.6 352,-0.1 -7,-0.3 -0.637 13.7-139.3 -94.5 164.6 24.3 0.1 21.9 84 105 A A - 0 0 0 -2,-0.2 471,-2.2 353,-0.1 472,-0.3 -0.942 26.2-162.7-124.0 104.3 26.9 -2.7 21.4 85 106 A F - 0 0 2 -11,-2.6 469,-0.2 -2,-0.6 348,-0.1 -0.373 30.1 -86.7 -88.3 168.3 29.0 -2.9 24.6 86 107 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 340,-0.1 -0.380 57.8 -92.4 -67.0 160.0 32.4 -4.7 24.9 87 108 A A >> - 0 0 0 465,-2.0 4,-1.5 338,-0.2 3,-0.9 -0.122 33.6-103.9 -69.2 162.3 32.2 -8.5 25.7 88 109 A G H 3> S+ 0 0 2 50,-0.3 4,-2.4 1,-0.2 50,-0.2 0.858 120.6 63.1 -57.2 -33.2 32.3 -9.8 29.3 89 110 A V H 3> S+ 0 0 4 48,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.879 101.3 50.4 -61.1 -37.1 36.0 -10.9 28.7 90 111 A N H <> S+ 0 0 0 -3,-0.9 4,-1.3 47,-0.3 -1,-0.2 0.877 106.6 54.1 -65.3 -41.5 36.9 -7.2 28.2 91 112 A V H >X>S+ 0 0 0 -4,-1.5 4,-0.8 48,-0.2 3,-0.7 0.949 108.6 50.7 -55.4 -44.4 35.2 -6.4 31.6 92 113 A A H ><5S+ 0 0 0 -4,-2.4 3,-1.3 47,-0.3 -2,-0.2 0.934 106.4 54.8 -55.7 -46.1 37.4 -9.1 33.1 93 114 A A H 3<5S+ 0 0 0 -4,-2.1 481,-2.4 1,-0.3 -1,-0.2 0.740 100.2 60.6 -63.4 -24.2 40.5 -7.5 31.5 94 115 A T H <<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.775 85.2-155.8 -72.9 -24.4 39.6 -4.2 33.2 95 116 A W T <<5 + 0 0 0 -3,-1.3 2,-0.6 -4,-0.8 -3,-0.1 0.815 51.2 135.0 53.2 33.2 39.9 -5.7 36.7 96 117 A D >< - 0 0 22 -5,-0.7 4,-2.2 1,-0.2 -1,-0.2 -0.899 43.0-173.8-126.8 101.7 37.5 -2.8 37.5 97 118 A K H > S+ 0 0 52 -2,-0.6 4,-2.1 1,-0.2 5,-0.2 0.850 89.6 54.9 -62.5 -38.6 34.4 -3.5 39.7 98 119 A N H > S+ 0 0 94 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.955 108.9 44.6 -63.4 -49.1 33.2 0.1 39.1 99 120 A L H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.876 111.6 55.2 -62.4 -37.6 33.3 -0.2 35.2 100 121 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.929 111.5 43.6 -57.4 -48.1 31.6 -3.7 35.5 101 122 A Y H X S+ 0 0 53 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.933 113.8 51.2 -61.6 -45.6 28.7 -2.1 37.6 102 123 A L H X S+ 0 0 52 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.888 109.2 49.5 -65.2 -42.1 28.5 0.9 35.2 103 124 A R H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.905 111.4 49.4 -57.9 -44.2 28.3 -1.3 32.1 104 125 A G H X S+ 0 0 0 -4,-2.0 4,-3.6 -5,-0.2 -2,-0.2 0.919 113.1 48.4 -60.4 -45.0 25.5 -3.4 33.8 105 126 A Q H X S+ 0 0 66 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.924 111.6 47.2 -61.7 -45.5 23.6 -0.1 34.7 106 127 A A H X S+ 0 0 4 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.931 115.8 47.1 -66.7 -39.9 24.0 1.3 31.1 107 128 A M H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.967 110.6 50.9 -62.5 -50.6 22.7 -2.1 29.7 108 129 A G H X S+ 0 0 0 -4,-3.6 4,-2.8 1,-0.2 5,-0.2 0.889 108.4 53.4 -55.2 -40.5 19.8 -2.3 32.2 109 130 A Q H X S+ 0 0 40 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.940 111.4 45.0 -59.7 -47.8 18.7 1.2 31.2 110 131 A E H X S+ 0 0 1 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.940 114.6 47.0 -60.2 -51.1 18.6 0.3 27.5 111 132 A F H ><>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 3,-1.0 0.923 112.7 51.0 -56.4 -43.9 16.8 -3.1 28.1 112 133 A S H ><5S+ 0 0 8 -4,-2.8 3,-2.0 -5,-0.3 -1,-0.2 0.939 106.6 54.2 -64.1 -43.4 14.3 -1.3 30.4 113 134 A D H 3<5S+ 0 0 52 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.650 103.6 55.5 -66.0 -15.5 13.6 1.4 27.8 114 135 A K T <<5S- 0 0 0 -3,-1.0 219,-2.4 -4,-1.0 220,-0.3 0.335 122.7-103.8 -91.9 -1.2 12.7 -1.2 25.1 115 136 A G T < 5S+ 0 0 0 -3,-2.0 2,-0.5 1,-0.3 -3,-0.2 0.813 72.6 148.6 83.1 29.5 10.0 -2.8 27.4 116 137 A I < - 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