==== 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 4IIF . 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) . 53204.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1065 64.0 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 . 154 9.2 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 . 2 0.1 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 . 146 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 192 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 292 17.5 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 3 6 3 7 5 2 4 0 0 0 0 0 5 1 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 . 10 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 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 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 0 153 0, 0.0 601,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.7 29.0 -43.9 33.5 2 23 A A - 0 0 35 194,-0.1 2,-0.4 1,-0.1 228,-0.0 -0.167 360.0-149.7 -50.7 140.7 29.1 -40.9 35.9 3 24 A F - 0 0 156 230,-0.0 229,-0.2 229,-0.0 230,-0.1 -0.914 9.1-143.0-121.9 140.9 25.9 -40.8 38.0 4 25 A S - 0 0 21 227,-0.5 235,-0.1 -2,-0.4 236,-0.1 -0.903 23.8-137.3-109.1 108.2 24.0 -37.7 39.4 5 26 A P - 0 0 56 0, 0.0 235,-0.2 0, 0.0 0, 0.0 -0.324 24.0-109.0 -67.6 142.5 22.6 -38.5 42.9 6 27 A P - 0 0 84 0, 0.0 2,-0.3 0, 0.0 232,-0.0 -0.245 28.8-171.5 -68.8 155.7 19.0 -37.3 43.7 7 28 A F - 0 0 54 237,-0.0 236,-0.2 705,-0.0 237,-0.1 -0.844 23.4-152.2-148.5 111.7 18.3 -34.4 46.1 8 29 A Y + 0 0 45 -2,-0.3 704,-0.2 702,-0.1 2,-0.2 -0.975 54.9 43.7-144.4 154.8 14.6 -33.8 47.0 9 30 A P S S- 0 0 3 0, 0.0 703,-0.1 0, 0.0 704,-0.1 0.501 77.4-120.8 -73.3 164.1 12.4 -31.9 47.8 10 31 A S - 0 0 1 702,-0.4 263,-0.1 261,-0.2 -2,-0.1 -0.680 40.5-112.6 -70.7 109.6 13.0 -28.9 45.6 11 32 A P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.060 28.2-135.3 -55.2 142.2 13.5 -26.1 48.3 12 33 A W - 0 0 24 1,-0.1 296,-0.1 -3,-0.0 300,-0.0 -0.722 26.1 -95.2 -98.6 150.1 10.8 -23.4 48.5 13 34 A A - 0 0 5 -2,-0.3 -1,-0.1 298,-0.1 240,-0.1 -0.096 34.5-179.4 -55.6 156.5 11.5 -19.7 48.8 14 35 A N - 0 0 94 2,-0.0 -1,-0.1 640,-0.0 6,-0.1 0.214 52.4 -97.8-147.0 19.1 11.5 -18.0 52.3 15 36 A G - 0 0 15 1,-0.2 5,-0.3 4,-0.1 2,-0.1 0.895 55.7-167.8 58.2 39.8 12.1 -14.2 52.0 16 37 A Q > - 0 0 44 3,-0.2 3,-2.6 235,-0.1 -1,-0.2 -0.391 44.5 -50.7 -61.1 131.6 15.8 -14.8 52.8 17 38 A G G > S+ 0 0 54 1,-0.3 3,-1.2 2,-0.2 709,-0.0 -0.055 133.3 13.2 52.2-113.8 17.8 -11.7 53.6 18 39 A E G 3 S+ 0 0 119 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.537 121.3 68.8 -77.9 -5.1 17.4 -8.9 51.0 19 40 A W G <> + 0 0 6 -3,-2.6 4,-2.9 1,-0.2 5,-0.2 0.443 66.7 105.3 -87.5 -2.0 14.4 -10.8 49.5 20 41 A A H <> S+ 0 0 50 -3,-1.2 4,-2.2 -5,-0.3 -1,-0.2 0.911 85.8 36.1 -43.8 -56.6 12.1 -10.2 52.5 21 42 A E H > S+ 0 0 133 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.900 116.2 50.3 -73.4 -44.9 9.9 -7.6 50.8 22 43 A A H > S+ 0 0 7 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.885 111.5 52.3 -58.1 -38.5 9.8 -9.0 47.3 23 44 A Y H X S+ 0 0 34 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.969 107.6 49.9 -65.7 -50.4 8.8 -12.3 48.8 24 45 A Q H X S+ 0 0 119 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.906 115.2 44.5 -47.4 -49.9 5.9 -10.8 50.8 25 46 A R H X S+ 0 0 78 -4,-2.4 4,-1.8 2,-0.2 5,-0.2 0.911 112.0 51.7 -69.0 -39.1 4.7 -9.0 47.7 26 47 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.927 111.8 48.0 -58.8 -47.5 5.1 -12.2 45.5 27 48 A V H X S+ 0 0 24 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.905 109.4 52.6 -58.7 -49.1 3.1 -14.2 48.1 28 49 A A H < S+ 0 0 58 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.821 115.2 40.7 -63.0 -31.2 0.3 -11.6 48.3 29 50 A I H >< S+ 0 0 25 -4,-1.8 3,-1.0 2,-0.2 -1,-0.2 0.869 113.6 50.2 -84.7 -38.6 -0.1 -11.6 44.5 30 51 A V H >< S+ 0 0 0 -4,-2.5 3,-2.4 1,-0.3 -2,-0.2 0.883 98.8 68.7 -71.0 -33.1 0.2 -15.3 43.8 31 52 A S T 3< S+ 0 0 49 -4,-2.3 -1,-0.3 1,-0.3 631,-0.2 0.762 101.5 49.1 -51.2 -30.1 -2.4 -16.0 46.6 32 53 A Q T < S+ 0 0 113 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.3 0.378 93.6 104.2 -85.2 -3.2 -5.0 -14.4 44.2 33 54 A M < - 0 0 4 -3,-2.4 629,-0.2 -4,-0.1 2,-0.1 -0.632 65.8-131.3 -99.0 145.6 -4.0 -16.4 41.2 34 55 A T > - 0 0 50 -2,-0.3 4,-2.2 627,-0.1 5,-0.2 -0.359 35.4-106.1 -77.5 162.6 -5.8 -19.3 39.6 35 56 A L H > S+ 0 0 0 627,-0.3 4,-2.1 1,-0.2 5,-0.1 0.893 121.4 51.0 -60.1 -41.1 -3.7 -22.4 38.8 36 57 A D H > S+ 0 0 20 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.828 108.2 52.6 -66.0 -35.6 -3.7 -21.6 35.0 37 58 A E H > S+ 0 0 23 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.947 110.0 48.9 -59.8 -47.5 -2.6 -18.0 35.7 38 59 A K H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 3,-0.4 0.880 109.2 52.2 -58.5 -44.5 0.3 -19.5 37.8 39 60 A V H >X S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.2 4,-0.7 0.873 101.7 60.8 -62.2 -39.4 1.2 -21.9 34.9 40 61 A N H >< S+ 0 0 29 -4,-1.9 3,-0.7 1,-0.3 17,-0.6 0.848 100.0 55.6 -54.4 -40.5 1.3 -18.9 32.5 41 62 A L H 3< S+ 0 0 0 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.836 110.2 46.9 -63.2 -30.1 4.1 -17.3 34.7 42 63 A T H << S+ 0 0 0 -4,-0.9 235,-2.9 -3,-0.8 2,-0.4 0.539 104.8 59.7 -90.3 -11.9 6.2 -20.5 34.2 43 64 A T B << S-a 277 0A 7 -4,-0.7 14,-0.6 -3,-0.7 235,-0.2 -0.977 72.3-129.3-133.5 126.3 6.0 -21.3 30.5 44 65 A G B -B 56 0B 1 233,-2.5 12,-0.2 -2,-0.4 3,-0.1 -0.135 27.4-120.3 -66.0 169.2 7.0 -19.3 27.4 45 66 A T - 0 0 4 10,-2.1 637,-2.1 1,-0.3 235,-0.2 0.446 65.0 -71.2-100.4 6.4 4.4 -18.9 24.7 46 67 A G > - 0 0 6 233,-2.1 3,-2.1 9,-0.2 4,-0.4 -0.025 64.8 -57.3 116.5 143.4 6.3 -20.6 21.8 47 68 A W T 3 S- 0 0 44 1,-0.3 6,-0.1 236,-0.1 7,-0.1 -0.256 120.2 -6.3 -56.2 115.6 9.3 -19.8 19.6 48 69 A E T 3 S+ 0 0 42 4,-0.3 300,-1.9 5,-0.2 -1,-0.3 0.617 93.3 124.1 75.2 19.2 8.6 -16.4 17.8 49 70 A L S < S+ 0 0 0 -3,-2.1 298,-0.3 298,-0.2 -2,-0.1 0.832 78.1 8.6 -77.1 -34.7 5.1 -16.0 18.9 50 71 A E S S- 0 0 33 -4,-0.4 297,-0.4 2,-0.3 287,-0.2 0.038 100.8 -67.3-121.8-130.3 5.5 -12.6 20.5 51 72 A K S S+ 0 0 27 284,-0.1 285,-2.5 285,-0.1 2,-0.2 0.844 97.7 57.6 -98.8 -36.5 8.3 -9.9 20.6 52 73 A a S S- 0 0 5 283,-0.1 -4,-0.3 2,-0.1 -2,-0.3 -0.536 86.5-107.9-102.3 160.8 11.3 -11.2 22.6 53 74 A V S S+ 0 0 5 -2,-0.2 2,-0.3 16,-0.2 -5,-0.2 0.845 116.2 21.4 -57.6 -31.3 13.6 -14.2 22.3 54 75 A G E S+C 69 0C 2 15,-2.4 15,-2.9 224,-0.1 2,-0.3 -0.992 77.4 166.3-129.2 146.0 11.6 -15.4 25.3 55 76 A Q E -C 68 0C 18 -2,-0.3 -10,-2.1 224,-0.3 -9,-0.2 -0.923 19.1-154.9-157.0 129.2 8.2 -14.3 26.4 56 77 A T B -B 44 0B 0 11,-2.3 -12,-0.2 -2,-0.3 -15,-0.1 -0.628 29.0-118.3 -94.6 166.5 5.6 -15.5 28.9 57 78 A G - 0 0 23 -17,-0.6 9,-0.4 -14,-0.6 -16,-0.1 0.606 44.0-153.1 -77.9 -13.9 1.8 -14.7 28.7 58 79 A G - 0 0 0 -18,-0.4 7,-0.2 7,-0.2 -1,-0.2 -0.292 29.0 -77.3 70.2-164.4 1.6 -12.9 32.0 59 80 A V B > > -F 64 0D 0 5,-2.5 5,-2.1 1,-0.1 3,-0.8 -0.817 42.8-177.4-137.3 90.5 -1.6 -12.7 34.0 60 81 A P G > 5S+ 0 0 107 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.914 78.7 62.8 -69.5 -32.1 -3.9 -10.1 32.5 61 82 A R G 3 5S+ 0 0 144 1,-0.3 -2,-0.0 2,-0.1 -28,-0.0 0.845 112.8 38.9 -57.2 -30.2 -6.6 -10.4 35.1 62 83 A L G < 5S- 0 0 30 -3,-0.8 -1,-0.3 2,-0.2 3,-0.1 0.321 117.3-111.6-105.4 13.6 -4.1 -9.1 37.6 63 84 A N T < 5 + 0 0 154 -3,-2.1 2,-0.6 -4,-0.3 -2,-0.1 0.916 69.5 140.5 64.2 42.7 -2.4 -6.6 35.3 64 85 A I B < -F 59 0D 10 -5,-2.1 -5,-2.5 3,-0.0 -1,-0.2 -0.983 43.7-144.2-116.7 113.3 0.9 -8.5 35.1 65 86 A G - 0 0 16 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.385 34.3 -77.6 -78.4 159.7 2.1 -8.2 31.5 66 87 A G - 0 0 14 -9,-0.4 2,-0.4 -8,-0.1 -9,-0.2 -0.205 51.7-113.3 -49.8 138.6 3.9 -11.0 29.8 67 88 A M - 0 0 1 -3,-0.1 -11,-2.3 -26,-0.1 2,-0.5 -0.740 27.9-149.9 -78.6 129.6 7.5 -11.2 30.9 68 89 A a E -C 55 0C 0 -2,-0.4 50,-2.1 -13,-0.2 49,-1.7 -0.925 10.5-168.4-104.6 119.2 9.9 -10.4 28.0 69 90 A L E +Cd 54 118C 0 -15,-2.9 -15,-2.4 -2,-0.5 2,-0.4 -0.938 12.5 177.3-109.8 121.6 13.4 -12.1 28.1 70 91 A Q E - d 0 119C 0 48,-2.5 50,-2.5 -2,-0.5 8,-0.1 -0.977 19.2 -99.2-129.4 139.3 16.0 -10.7 25.6 71 92 A D + 0 0 11 -2,-0.4 6,-2.1 48,-0.2 50,-0.1 -0.262 55.2 61.0 -67.5 168.0 19.6 -11.5 24.9 72 93 A S > - 0 0 0 48,-0.4 3,-1.3 4,-0.3 49,-0.2 0.729 40.0-145.0-134.9-177.2 22.5 -10.7 25.3 73 94 A P T 3 S+ 0 0 3 0, 0.0 50,-0.1 0, 0.0 48,-0.1 0.500 107.9 40.5 -67.6 -4.3 25.2 -10.2 27.9 74 95 A L T 3 S- 0 0 3 1,-0.5 11,-2.7 358,-0.1 2,-0.2 0.179 127.7 -39.4-128.9 17.2 26.7 -7.3 26.0 75 96 A G S < S- 0 0 0 -3,-1.3 -1,-0.5 9,-0.2 9,-0.1 -0.591 85.0 -42.7 141.2 162.4 23.7 -5.3 24.7 76 97 A I - 0 0 0 7,-0.2 358,-0.9 -2,-0.2 3,-0.4 -0.309 56.4-143.2 -63.3 127.3 20.2 -5.8 23.3 77 98 A R S S+ 0 0 24 -6,-2.1 356,-0.2 356,-0.2 -24,-0.1 -0.653 71.0 4.9 -85.1 139.6 20.0 -8.5 20.7 78 99 A D S S+ 0 0 32 -2,-0.3 -1,-0.2 1,-0.2 2,-0.2 0.796 105.8 96.8 68.5 35.1 17.9 -8.4 17.6 79 100 A S - 0 0 1 -3,-0.4 2,-0.3 258,-0.1 -1,-0.2 -0.508 66.3-108.5-133.9-161.4 16.6 -4.8 18.1 80 101 A D S S+ 0 0 7 -2,-0.2 283,-0.3 1,-0.1 3,-0.1 -0.953 82.4 23.6-138.3 164.1 17.4 -1.3 16.8 81 102 A Y S S+ 0 0 15 -2,-0.3 282,-2.3 1,-0.2 283,-0.5 0.880 89.2 127.5 47.8 46.6 19.0 2.0 18.2 82 103 A N - 0 0 2 352,-0.3 -1,-0.2 281,-0.2 2,-0.2 -0.782 58.7-109.7-118.6 168.0 20.8 0.1 20.9 83 104 A S - 0 0 0 -2,-0.3 2,-0.5 352,-0.1 -7,-0.2 -0.543 14.1-138.6 -94.7 160.5 24.5 0.1 21.9 84 105 A A - 0 0 0 -2,-0.2 471,-2.4 -9,-0.1 472,-0.3 -0.945 25.2-161.8-121.3 110.4 27.0 -2.7 21.5 85 106 A F - 0 0 2 -11,-2.7 469,-0.2 -2,-0.5 3,-0.1 -0.382 29.8 -87.1 -88.5 164.4 29.2 -3.0 24.6 86 107 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.327 58.1 -91.1 -65.3 158.3 32.6 -4.7 24.9 87 108 A A >> - 0 0 0 465,-1.9 4,-1.4 338,-0.2 3,-0.9 -0.188 34.3-103.8 -66.9 160.1 32.4 -8.5 25.7 88 109 A G H 3> S+ 0 0 3 1,-0.3 4,-2.3 2,-0.2 3,-0.4 0.891 122.2 60.2 -49.9 -43.3 32.4 -9.9 29.2 89 110 A V H 3> S+ 0 0 3 48,-2.2 4,-1.9 1,-0.3 -1,-0.3 0.878 100.3 55.0 -54.6 -38.3 36.1 -10.9 28.7 90 111 A N H <> S+ 0 0 0 -3,-0.9 4,-1.5 47,-0.3 -1,-0.3 0.934 105.4 52.6 -59.7 -40.7 36.9 -7.2 28.2 91 112 A V H >X>S+ 0 0 0 -4,-1.4 4,-0.9 -3,-0.4 3,-0.7 0.952 108.5 51.4 -60.5 -45.9 35.3 -6.5 31.6 92 113 A A H ><5S+ 0 0 0 -4,-2.3 3,-0.9 47,-0.3 -1,-0.3 0.865 105.5 55.1 -52.7 -42.4 37.5 -9.2 33.1 93 114 A A H 3<5S+ 0 0 0 -4,-1.9 481,-2.5 1,-0.3 -1,-0.2 0.789 100.3 59.5 -73.1 -25.1 40.6 -7.5 31.5 94 115 A T H <<5S- 0 0 0 -4,-1.5 -1,-0.3 -3,-0.7 -2,-0.2 0.789 86.3-154.5 -69.2 -25.8 39.8 -4.2 33.1 95 116 A W T <<5 + 0 0 0 -3,-0.9 2,-0.6 -4,-0.9 -3,-0.1 0.825 49.9 138.5 51.4 31.8 40.0 -5.8 36.6 96 117 A D >< - 0 0 24 -5,-0.7 4,-2.3 1,-0.2 -1,-0.2 -0.881 44.2-171.0-122.1 105.5 37.7 -2.9 37.5 97 118 A K H > S+ 0 0 56 -2,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.845 91.3 53.2 -53.2 -42.7 34.7 -3.5 39.8 98 119 A N H > S+ 0 0 108 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.909 106.4 47.4 -63.8 -51.4 33.5 -0.1 39.0 99 120 A L H > S+ 0 0 3 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.889 109.6 57.2 -57.6 -39.1 33.5 -0.4 35.2 100 121 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.917 110.7 42.5 -60.0 -43.4 31.7 -3.7 35.6 101 122 A Y H X S+ 0 0 56 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.926 113.7 51.6 -66.4 -47.6 28.9 -2.0 37.5 102 123 A L H X S+ 0 0 61 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.888 110.1 48.7 -60.4 -42.0 28.8 1.0 35.1 103 124 A R H X S+ 0 0 3 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.889 110.7 52.2 -62.4 -38.8 28.5 -1.3 32.1 104 125 A G H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.911 111.8 45.8 -62.2 -41.3 25.7 -3.3 33.8 105 126 A Q H X S+ 0 0 63 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.947 110.5 51.9 -68.2 -46.5 23.7 -0.1 34.6 106 127 A A H X S+ 0 0 5 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.920 113.9 45.1 -56.9 -46.5 24.2 1.3 31.1 107 128 A M H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.911 110.8 52.7 -62.2 -45.9 22.8 -2.1 29.7 108 129 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.901 107.8 52.6 -60.3 -38.9 19.9 -2.2 32.2 109 130 A Q H X S+ 0 0 43 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.952 112.1 45.0 -59.3 -47.5 18.9 1.3 31.2 110 131 A E H X S+ 0 0 1 -4,-1.8 4,-0.8 -5,-0.2 -2,-0.2 0.968 115.5 46.4 -64.0 -50.9 18.8 0.3 27.5 111 132 A F H ><>S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.2 5,-1.7 0.943 112.7 50.9 -49.8 -53.5 16.9 -3.0 28.2 112 133 A S H ><5S+ 0 0 8 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.859 106.0 54.0 -56.1 -41.6 14.4 -1.3 30.4 113 134 A D H 3<5S+ 0 0 50 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.575 104.3 56.3 -74.6 -12.4 13.7 1.5 27.8 114 135 A K T <<5S- 0 0 0 -3,-1.8 219,-1.9 -4,-0.8 220,-0.4 0.337 119.8-109.4 -91.9 2.4 12.8 -1.2 25.2 115 136 A G T < 5S+ 0 0 0 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.799 70.1 146.4 70.6 28.5 10.2 -2.7 27.6 116 137 A I < - 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