==== 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 4IIB . 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) . 52695.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1058 63.5 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 . 1 0.1 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 . 135 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 193 11.6 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 . 46 2.8 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 3 3 7 2 6 2 4 6 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 0 151 0, 0.0 601,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.2 29.5 -43.9 33.6 2 23 A A - 0 0 34 194,-0.1 2,-0.4 1,-0.1 228,-0.0 -0.095 360.0-152.6 -54.1 151.1 29.4 -40.9 36.0 3 24 A F - 0 0 149 230,-0.0 229,-0.2 229,-0.0 228,-0.1 -0.974 11.3-141.4-135.8 146.9 26.3 -40.7 37.9 4 25 A S - 0 0 21 227,-0.5 235,-0.1 -2,-0.4 236,-0.1 -0.878 25.5-137.2-113.0 106.1 24.4 -37.7 39.4 5 26 A P - 0 0 55 0, 0.0 235,-0.2 0, 0.0 2,-0.1 -0.206 24.7-104.3 -67.8 150.7 22.9 -38.5 42.9 6 27 A P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 232,-0.0 -0.363 30.2-173.5 -72.2 148.4 19.4 -37.4 43.7 7 28 A F - 0 0 52 -2,-0.1 236,-0.2 265,-0.0 237,-0.1 -0.858 25.1-156.4-141.6 110.9 18.6 -34.4 46.0 8 29 A Y + 0 0 43 -2,-0.3 704,-0.2 702,-0.2 2,-0.2 -0.970 53.2 44.5-143.2 151.2 15.0 -33.9 46.8 9 30 A P S S- 0 0 3 0, 0.0 703,-0.1 0, 0.0 704,-0.1 0.497 78.0-119.7 -82.3 170.2 12.7 -32.2 47.6 10 31 A S - 0 0 0 702,-0.4 263,-0.1 261,-0.2 -2,-0.1 -0.643 40.6-110.6 -72.8 113.5 13.3 -29.0 45.6 11 32 A P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.170 28.3-133.7 -52.6 137.5 13.8 -26.2 48.2 12 33 A W - 0 0 22 643,-0.2 643,-0.1 1,-0.1 296,-0.1 -0.668 26.7 -98.6 -89.6 148.9 11.0 -23.7 48.5 13 34 A A - 0 0 4 -2,-0.3 -1,-0.1 1,-0.1 240,-0.1 -0.205 34.8-177.2 -60.0 154.9 11.7 -20.0 48.7 14 35 A N - 0 0 92 640,-0.0 -1,-0.1 2,-0.0 6,-0.1 0.231 50.3 -99.2-141.4 20.5 11.6 -18.4 52.2 15 36 A G - 0 0 11 1,-0.2 5,-0.3 238,-0.1 4,-0.1 0.780 56.6-170.8 62.7 35.2 12.1 -14.7 51.9 16 37 A Q > - 0 0 44 3,-0.2 3,-2.4 2,-0.1 -1,-0.2 -0.213 44.7 -43.1 -62.4 141.9 15.9 -15.0 52.8 17 38 A G G > S+ 0 0 52 1,-0.3 3,-1.5 2,-0.2 709,-0.0 -0.147 133.3 7.9 52.0-122.0 17.9 -11.9 53.4 18 39 A E G 3 S+ 0 0 103 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.391 121.6 72.7 -80.1 4.5 17.3 -9.0 51.0 19 40 A W G <> + 0 0 6 -3,-2.4 4,-2.6 -4,-0.1 5,-0.3 0.481 65.0 101.0 -94.2 2.0 14.4 -11.0 49.5 20 41 A A H <> S+ 0 0 51 -3,-1.5 4,-2.0 -5,-0.3 5,-0.2 0.908 87.3 37.2 -54.3 -53.1 12.0 -10.6 52.5 21 42 A E H > S+ 0 0 148 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.919 116.7 49.4 -69.4 -44.4 9.9 -7.8 50.9 22 43 A A H > S+ 0 0 4 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.897 111.8 52.1 -63.4 -37.8 9.8 -9.1 47.3 23 44 A Y H X S+ 0 0 32 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.933 107.3 50.9 -65.1 -40.6 8.8 -12.6 48.7 24 45 A Q H X S+ 0 0 118 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.927 112.8 46.8 -65.9 -40.3 5.9 -11.2 50.7 25 46 A R H X S+ 0 0 78 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.895 112.5 49.8 -66.0 -38.9 4.6 -9.3 47.6 26 47 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.2 5,-0.3 0.924 110.7 48.7 -65.0 -42.6 5.0 -12.4 45.5 27 48 A V H X S+ 0 0 19 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.954 109.9 53.3 -64.6 -42.7 3.2 -14.6 48.0 28 49 A A H < S+ 0 0 57 -4,-2.3 4,-0.4 -5,-0.3 -1,-0.2 0.904 116.0 37.6 -59.4 -40.7 0.3 -12.1 48.2 29 50 A I H >< S+ 0 0 23 -4,-2.0 3,-1.1 2,-0.2 4,-0.3 0.895 115.3 51.7 -80.9 -37.4 -0.2 -12.0 44.4 30 51 A V H >< S+ 0 0 0 -4,-3.1 3,-2.0 1,-0.3 -2,-0.2 0.874 101.2 64.4 -65.1 -28.7 0.4 -15.8 43.7 31 52 A S T 3< S+ 0 0 47 -4,-2.4 -1,-0.3 -5,-0.3 631,-0.2 0.744 101.6 52.1 -69.0 -17.6 -2.2 -16.5 46.4 32 53 A Q T < S+ 0 0 109 -3,-1.1 -1,-0.3 -4,-0.4 2,-0.2 0.506 93.1 100.6 -89.1 -7.4 -4.7 -14.8 44.1 33 54 A M < - 0 0 5 -3,-2.0 629,-0.3 -4,-0.3 2,-0.1 -0.539 65.9-131.8 -91.4 148.8 -3.9 -16.9 41.0 34 55 A T > - 0 0 49 -2,-0.2 4,-2.2 627,-0.1 3,-0.3 -0.411 37.0-102.6 -78.6 171.7 -5.6 -19.8 39.5 35 56 A L H > S+ 0 0 0 627,-0.3 4,-2.4 1,-0.3 5,-0.1 0.899 123.0 52.1 -68.2 -39.4 -3.5 -22.9 38.5 36 57 A D H > S+ 0 0 22 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.809 107.9 50.9 -64.2 -35.7 -3.6 -21.9 34.8 37 58 A E H > S+ 0 0 22 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.885 110.1 49.8 -66.7 -46.5 -2.3 -18.4 35.6 38 59 A K H X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.2 3,-0.5 0.927 109.1 52.2 -54.5 -45.8 0.6 -19.9 37.7 39 60 A V H >X S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 4,-0.9 0.901 103.0 59.6 -59.7 -40.4 1.4 -22.2 34.8 40 61 A N H >< S+ 0 0 29 -4,-1.8 17,-0.7 1,-0.3 3,-0.5 0.837 101.7 54.0 -57.6 -37.2 1.5 -19.2 32.4 41 62 A L H 3< S+ 0 0 0 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.773 110.3 46.5 -64.6 -29.4 4.3 -17.6 34.5 42 63 A T H << S+ 0 0 0 -3,-1.4 235,-2.7 -4,-0.7 2,-0.5 0.536 106.4 62.2 -93.0 -13.8 6.5 -20.7 34.2 43 64 A T B << S-a 277 0A 6 -4,-0.9 14,-0.6 -3,-0.5 235,-0.1 -0.942 73.2-131.7-126.3 129.8 6.2 -21.5 30.4 44 65 A G B -B 56 0B 0 233,-2.6 12,-0.3 -2,-0.5 3,-0.1 -0.226 26.6-119.5 -69.4 164.5 7.3 -19.4 27.4 45 66 A T - 0 0 2 10,-2.8 637,-2.1 1,-0.3 235,-0.2 0.414 64.5 -76.2 -94.7 7.2 4.7 -19.0 24.6 46 67 A G > - 0 0 7 233,-2.2 3,-1.8 9,-0.3 4,-0.4 -0.173 63.7 -53.0 117.5 156.1 6.7 -20.7 21.8 47 68 A W T 3 S- 0 0 37 1,-0.3 6,-0.1 236,-0.2 7,-0.1 -0.378 120.3 -9.6 -67.0 123.2 9.7 -19.8 19.6 48 69 A E T 3 S+ 0 0 41 4,-0.3 300,-2.4 5,-0.2 -1,-0.3 0.734 96.9 122.8 66.8 26.7 9.1 -16.4 17.7 49 70 A L S < S+ 0 0 0 -3,-1.8 298,-0.3 298,-0.2 -2,-0.1 0.827 78.9 12.0 -87.5 -28.5 5.4 -16.3 18.8 50 71 A E S S- 0 0 28 -4,-0.4 297,-0.4 2,-0.3 286,-0.1 0.003 101.2 -75.4-122.8-134.7 5.7 -12.9 20.5 51 72 A K S S+ 0 0 26 284,-0.1 285,-2.4 285,-0.1 2,-0.2 0.790 98.0 64.6-100.4 -39.5 8.4 -10.1 20.5 52 73 A a S S- 0 0 4 283,-0.1 -2,-0.3 284,-0.1 -4,-0.3 -0.527 86.7-112.0 -92.3 160.5 11.3 -11.3 22.8 53 74 A V S S+ 0 0 4 16,-0.2 2,-0.3 1,-0.2 -5,-0.2 0.812 114.3 19.5 -61.3 -27.8 13.6 -14.2 22.3 54 75 A G E S+C 69 0C 1 15,-2.0 15,-2.8 224,-0.1 2,-0.3 -0.993 80.0 166.5-129.7 144.2 11.8 -15.7 25.4 55 76 A Q E -C 68 0C 18 -2,-0.3 -10,-2.8 224,-0.3 -9,-0.3 -0.932 20.5-153.1-156.4 134.4 8.4 -14.5 26.4 56 77 A T B -B 44 0B 0 11,-2.0 -12,-0.2 -2,-0.3 -15,-0.1 -0.585 28.5-118.5 -99.0 167.0 5.8 -15.8 28.9 57 78 A G - 0 0 23 -17,-0.7 9,-0.4 -14,-0.6 -16,-0.1 0.627 44.9-153.8 -78.6 -14.9 1.9 -15.0 28.6 58 79 A G - 0 0 0 -18,-0.5 7,-0.2 7,-0.2 -1,-0.2 -0.258 30.5 -74.7 70.3-162.9 1.8 -13.3 31.9 59 80 A V B > > -F 64 0D 0 5,-2.2 5,-2.0 1,-0.1 3,-1.4 -0.767 45.0-176.4-135.6 85.9 -1.4 -13.1 34.0 60 81 A P G > 5S+ 0 0 107 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.857 77.9 62.3 -63.5 -31.5 -3.7 -10.6 32.4 61 82 A R G 3 5S+ 0 0 144 1,-0.3 -2,-0.0 2,-0.1 -24,-0.0 0.798 111.3 39.3 -62.9 -31.5 -6.5 -10.8 35.0 62 83 A L G < 5S- 0 0 28 -3,-1.4 -1,-0.3 2,-0.1 3,-0.1 0.113 118.3-112.0-103.5 19.8 -4.1 -9.5 37.6 63 84 A N T < 5 + 0 0 153 -3,-2.4 2,-0.7 1,-0.2 -2,-0.1 0.828 68.0 144.8 56.0 39.0 -2.4 -7.0 35.2 64 85 A I B < -F 59 0D 11 -5,-2.0 -5,-2.2 3,-0.0 -1,-0.2 -0.936 43.4-140.4-103.7 113.3 0.9 -8.9 35.1 65 86 A G - 0 0 17 -2,-0.7 -7,-0.2 -7,-0.2 -9,-0.1 -0.368 31.1 -85.6 -71.2 159.2 2.3 -8.4 31.6 66 87 A G - 0 0 13 -9,-0.4 2,-0.5 -8,-0.1 -9,-0.2 -0.255 51.3-111.5 -57.5 140.7 4.0 -11.4 29.8 67 88 A M - 0 0 1 -3,-0.1 -11,-2.0 50,-0.1 2,-0.5 -0.723 26.9-151.1 -82.8 134.0 7.7 -11.4 30.9 68 89 A a E -C 55 0C 0 -2,-0.5 50,-2.2 -13,-0.2 49,-1.6 -0.866 12.2-169.9-107.9 120.9 10.0 -10.5 28.0 69 90 A L E -Cd 54 118C 0 -15,-2.8 -15,-2.0 -2,-0.5 2,-0.4 -0.976 10.5-179.6-114.8 127.9 13.4 -12.1 28.3 70 91 A Q E - d 0 119C 0 48,-2.5 50,-2.9 -2,-0.4 2,-0.1 -0.983 15.8-104.7-139.8 133.9 16.1 -10.9 25.8 71 92 A D + 0 0 11 -2,-0.4 6,-2.8 48,-0.2 360,-0.1 -0.311 56.3 72.2 -63.5 160.1 19.8 -11.6 25.1 72 93 A S > - 0 0 0 4,-0.4 3,-1.2 48,-0.3 49,-0.1 0.651 38.0-153.6-133.1 178.8 22.6 -10.6 25.3 73 94 A P T 3 S+ 0 0 3 0, 0.0 50,-0.1 0, 0.0 3,-0.1 0.542 107.6 40.2 -68.4 -7.9 25.2 -10.3 28.1 74 95 A L T 3 S- 0 0 5 1,-0.5 11,-2.5 358,-0.1 2,-0.2 0.241 129.6 -32.7-124.9 15.8 26.7 -7.3 26.1 75 96 A G S < S- 0 0 0 -3,-1.2 -1,-0.5 9,-0.2 2,-0.3 -0.757 85.1 -52.3 143.6 158.5 23.7 -5.4 24.7 76 97 A I > - 0 0 0 7,-0.4 358,-0.8 -2,-0.2 3,-0.5 -0.412 57.3-138.9 -64.3 131.5 20.2 -6.0 23.5 77 98 A R T 3 S+ 0 0 24 -6,-2.8 356,-0.2 -2,-0.3 -24,-0.1 -0.515 72.5 6.0 -87.6 147.6 20.0 -8.7 20.8 78 99 A D T 3 S+ 0 0 27 1,-0.2 -1,-0.2 -2,-0.2 260,-0.2 0.749 106.1 100.7 60.6 40.2 17.9 -8.6 17.6 79 100 A S < - 0 0 2 -3,-0.5 2,-0.3 255,-0.1 -1,-0.2 -0.489 63.9-107.5-136.7-162.4 16.7 -5.0 18.1 80 101 A D S S+ 0 0 7 -2,-0.2 283,-0.3 281,-0.2 3,-0.1 -0.950 81.7 17.9-136.7 158.0 17.4 -1.3 16.9 81 102 A Y S S+ 0 0 14 -2,-0.3 282,-1.9 1,-0.2 283,-0.6 0.847 90.1 127.7 52.9 42.4 19.0 1.9 18.1 82 103 A N - 0 0 2 352,-0.3 2,-0.2 280,-0.2 -1,-0.2 -0.696 59.0-106.9-115.9 170.2 20.7 0.0 21.0 83 104 A S - 0 0 0 -2,-0.2 2,-0.6 352,-0.1 -7,-0.4 -0.641 14.4-138.8 -97.1 163.0 24.4 0.0 22.0 84 105 A A - 0 0 0 -2,-0.2 471,-2.3 353,-0.1 472,-0.3 -0.955 26.7-161.9-122.5 103.7 27.0 -2.7 21.5 85 106 A F - 0 0 1 -11,-2.5 469,-0.2 -2,-0.6 3,-0.1 -0.333 29.4 -87.8 -83.6 166.4 29.1 -3.0 24.7 86 107 A P - 0 0 0 0, 0.0 -1,-0.2 0, 0.0 340,-0.1 -0.360 57.1 -94.4 -67.3 155.9 32.5 -4.6 25.0 87 108 A A >> - 0 0 0 465,-2.2 4,-1.6 338,-0.2 3,-1.1 -0.162 32.9-102.6 -67.5 163.6 32.3 -8.3 25.8 88 109 A G H 3> S+ 0 0 3 1,-0.3 4,-2.6 50,-0.2 50,-0.2 0.877 120.6 62.1 -51.2 -39.7 32.5 -9.8 29.4 89 110 A V H 3> S+ 0 0 4 48,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.842 101.7 51.0 -61.6 -33.2 36.1 -10.8 28.8 90 111 A N H <> S+ 0 0 0 -3,-1.1 4,-1.4 47,-0.3 -1,-0.2 0.880 106.5 54.5 -69.0 -36.5 37.1 -7.1 28.4 91 112 A V H >X>S+ 0 0 0 -4,-1.6 3,-0.8 1,-0.2 4,-0.8 0.963 107.6 50.6 -61.0 -42.1 35.3 -6.4 31.6 92 113 A A H ><5S+ 0 0 0 -4,-2.6 3,-1.3 47,-0.3 -2,-0.2 0.923 106.8 55.0 -55.9 -49.2 37.5 -9.0 33.2 93 114 A A H 3<5S+ 0 0 0 -4,-2.1 481,-2.1 1,-0.3 -1,-0.3 0.735 99.6 60.4 -59.7 -26.1 40.6 -7.3 31.7 94 115 A T H <<5S- 0 0 0 -4,-1.4 -1,-0.3 -3,-0.8 -2,-0.2 0.751 85.0-155.8 -69.3 -25.8 39.7 -4.0 33.3 95 116 A W T <<5 + 0 0 0 -3,-1.3 2,-0.6 -4,-0.8 -3,-0.1 0.823 50.6 134.7 54.1 31.0 40.0 -5.6 36.8 96 117 A D >< - 0 0 21 -5,-0.7 4,-2.1 1,-0.2 -1,-0.2 -0.901 44.0-171.8-124.7 101.8 37.6 -2.7 37.6 97 118 A K H > S+ 0 0 56 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.844 89.9 54.9 -60.4 -35.8 34.5 -3.4 39.8 98 119 A N H > S+ 0 0 99 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.931 108.4 46.1 -66.1 -47.3 33.2 0.1 39.2 99 120 A L H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.871 110.1 55.5 -62.7 -37.9 33.3 -0.2 35.4 100 121 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.959 111.6 43.7 -56.8 -45.6 31.7 -3.6 35.6 101 122 A Y H X S+ 0 0 53 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.931 113.6 50.5 -66.6 -43.8 28.8 -2.0 37.6 102 123 A L H X S+ 0 0 53 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.872 110.3 49.0 -66.8 -38.8 28.5 1.0 35.2 103 124 A R H X S+ 0 0 3 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.911 111.8 50.1 -63.8 -38.0 28.4 -1.3 32.1 104 125 A G H X S+ 0 0 0 -4,-2.2 4,-3.3 -5,-0.3 -2,-0.2 0.946 112.4 47.6 -60.8 -45.5 25.6 -3.4 33.9 105 126 A Q H X S+ 0 0 67 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.937 112.0 49.1 -62.2 -44.9 23.7 -0.1 34.7 106 127 A A H X S+ 0 0 4 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.925 114.8 44.7 -64.2 -43.3 24.0 1.2 31.1 107 128 A M H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.950 111.7 52.4 -61.3 -50.1 22.8 -2.2 29.7 108 129 A G H X S+ 0 0 0 -4,-3.3 4,-3.0 1,-0.2 5,-0.2 0.923 108.3 52.2 -55.3 -41.7 19.9 -2.4 32.3 109 130 A Q H X S+ 0 0 42 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.929 112.4 44.9 -59.4 -46.9 18.8 1.1 31.2 110 131 A E H X S+ 0 0 1 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.933 114.5 46.9 -61.0 -50.7 18.7 0.2 27.6 111 132 A F H ><>S+ 0 0 0 -4,-2.9 5,-2.1 1,-0.2 3,-1.2 0.961 113.4 51.2 -58.0 -41.1 16.9 -3.2 28.2 112 133 A S H ><5S+ 0 0 7 -4,-3.0 3,-2.0 -5,-0.3 -1,-0.2 0.913 106.4 53.3 -60.1 -46.6 14.4 -1.4 30.4 113 134 A D H 3<5S+ 0 0 49 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.617 103.4 56.8 -68.1 -15.6 13.7 1.3 27.9 114 135 A K T <<5S- 0 0 0 -3,-1.2 219,-2.3 -4,-0.9 220,-0.4 0.353 121.8-104.7 -88.5 1.9 12.8 -1.4 25.2 115 136 A G T < 5S+ 0 0 0 -3,-2.0 2,-0.5 -4,-0.3 -47,-0.2 0.776 72.4 148.5 79.3 28.1 10.2 -2.9 27.5 116 137 A I < - 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