==== 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 4IIH . 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) . 52559.0 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 . 1 0.1 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 . 140 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 189 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 17.7 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 2 8 2 6 4 2 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 0 159 0, 0.0 601,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.0 29.1 -44.0 33.7 2 23 A A - 0 0 36 194,-0.1 2,-0.4 1,-0.1 228,-0.0 -0.105 360.0-152.0 -43.4 142.4 29.1 -40.8 36.0 3 24 A F - 0 0 149 230,-0.0 229,-0.2 229,-0.0 230,-0.1 -0.950 11.2-143.6-129.2 141.4 25.8 -40.7 38.0 4 25 A S - 0 0 21 227,-0.4 235,-0.2 -2,-0.4 236,-0.1 -0.909 24.8-138.4-109.7 105.6 24.0 -37.7 39.4 5 26 A P - 0 0 53 0, 0.0 235,-0.2 0, 0.0 2,-0.1 -0.262 24.1-105.3 -68.2 156.4 22.4 -38.6 42.8 6 27 A P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 232,-0.0 -0.366 30.1-173.0 -80.3 149.9 18.9 -37.3 43.6 7 28 A F - 0 0 52 -2,-0.1 236,-0.1 704,-0.0 237,-0.1 -0.831 24.8-154.9-141.0 115.2 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 -0.963 54.3 46.0-142.7 155.0 14.5 -33.8 46.7 9 30 A P S S- 0 0 3 0, 0.0 702,-0.1 0, 0.0 703,-0.1 0.517 78.1-119.2 -81.6 170.2 12.3 -32.0 47.5 10 31 A S - 0 0 0 701,-0.4 263,-0.1 261,-0.2 -2,-0.1 -0.578 42.2-110.7 -70.5 113.7 12.9 -28.9 45.4 11 32 A P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.198 29.6-132.7 -57.6 140.4 13.4 -26.2 48.1 12 33 A W - 0 0 24 642,-0.2 642,-0.1 1,-0.1 296,-0.1 -0.691 26.2 -98.9 -90.9 150.3 10.6 -23.6 48.3 13 34 A A - 0 0 4 -2,-0.3 -1,-0.1 240,-0.1 240,-0.1 -0.150 35.5-178.8 -55.6 151.3 11.3 -19.8 48.5 14 35 A N - 0 0 94 639,-0.0 -1,-0.1 2,-0.0 6,-0.1 0.173 52.1 -96.6-139.8 22.3 11.2 -18.2 52.0 15 36 A G - 0 0 12 1,-0.1 5,-0.3 238,-0.1 4,-0.1 0.780 54.7-165.7 65.3 26.6 11.8 -14.5 51.7 16 37 A Q > - 0 0 45 3,-0.2 3,-2.7 2,-0.1 4,-0.2 -0.086 44.1 -51.2 -46.1 133.8 15.5 -14.9 52.5 17 38 A G G > S+ 0 0 54 1,-0.3 3,-1.3 2,-0.2 708,-0.0 -0.045 133.5 12.0 40.3-107.0 17.5 -11.6 53.4 18 39 A E G 3 S+ 0 0 103 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.471 120.7 70.7 -86.2 -1.8 16.9 -8.9 50.8 19 40 A W G <> + 0 0 5 -3,-2.7 4,-2.8 1,-0.1 5,-0.3 0.474 67.5 102.4 -86.4 0.1 14.0 -11.0 49.2 20 41 A A H <> S+ 0 0 52 -3,-1.3 4,-1.9 -5,-0.3 5,-0.1 0.915 86.2 36.1 -51.9 -56.2 11.7 -10.4 52.2 21 42 A E H > S+ 0 0 134 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 117.1 49.4 -68.7 -44.7 9.6 -7.7 50.6 22 43 A A H > S+ 0 0 5 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.881 111.3 53.2 -59.2 -38.6 9.5 -9.0 47.0 23 44 A Y H X S+ 0 0 32 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.934 107.4 50.2 -65.6 -41.6 8.5 -12.5 48.5 24 45 A Q H X S+ 0 0 124 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.945 113.3 46.2 -64.7 -41.6 5.5 -11.0 50.5 25 46 A R H X S+ 0 0 75 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.909 111.7 51.3 -65.5 -37.5 4.3 -9.2 47.3 26 47 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.931 111.1 47.2 -64.3 -44.6 4.7 -12.3 45.2 27 48 A V H X S+ 0 0 21 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.950 110.7 53.9 -63.6 -42.8 2.7 -14.5 47.7 28 49 A A H < S+ 0 0 55 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.903 116.3 36.2 -59.3 -42.0 -0.0 -11.9 47.9 29 50 A I H >< S+ 0 0 24 -4,-2.0 3,-1.3 2,-0.2 4,-0.3 0.899 116.4 51.4 -84.0 -36.3 -0.5 -11.8 44.1 30 51 A V H >< S+ 0 0 0 -4,-3.1 3,-1.7 1,-0.3 -2,-0.2 0.863 100.4 65.2 -67.9 -33.4 0.1 -15.5 43.5 31 52 A S T 3< S+ 0 0 47 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.701 101.8 52.2 -55.7 -21.3 -2.6 -16.3 46.2 32 53 A Q T < S+ 0 0 110 -3,-1.3 -1,-0.3 -4,-0.3 2,-0.2 0.459 92.9 99.9 -90.8 -5.5 -5.1 -14.6 43.8 33 54 A M < - 0 0 5 -3,-1.7 628,-0.3 -4,-0.3 2,-0.1 -0.531 65.8-132.1 -88.6 152.0 -4.2 -16.7 40.8 34 55 A T > - 0 0 49 -2,-0.2 4,-2.2 626,-0.1 5,-0.2 -0.434 36.5-102.7 -85.0 172.3 -5.9 -19.7 39.3 35 56 A L H > S+ 0 0 0 626,-0.3 4,-2.4 1,-0.2 5,-0.1 0.893 123.0 52.0 -68.3 -41.5 -3.8 -22.8 38.3 36 57 A D H > S+ 0 0 21 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.829 108.8 51.4 -64.3 -36.3 -3.9 -21.8 34.6 37 58 A E H > S+ 0 0 21 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.919 110.2 47.9 -61.4 -47.3 -2.6 -18.3 35.4 38 59 A K H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 3,-0.3 0.911 110.4 53.3 -59.0 -44.7 0.3 -19.7 37.5 39 60 A V H >X S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 4,-1.0 0.899 101.8 58.9 -57.1 -42.7 1.1 -22.0 34.6 40 61 A N H 3< S+ 0 0 31 -4,-1.7 17,-0.7 1,-0.3 3,-0.5 0.848 101.6 55.0 -54.7 -40.9 1.2 -19.1 32.2 41 62 A L H 3< S+ 0 0 0 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.785 109.8 47.0 -62.4 -26.7 4.0 -17.5 34.3 42 63 A T H << S+ 0 0 0 -3,-1.2 235,-3.2 -4,-0.8 2,-0.4 0.575 106.3 62.7 -95.4 -13.1 6.2 -20.7 34.0 43 64 A T B < S-a 277 0A 7 -4,-1.0 14,-0.6 -3,-0.5 235,-0.1 -0.941 72.4-133.2-123.2 126.9 5.8 -21.4 30.2 44 65 A G B -B 56 0B 1 233,-2.6 12,-0.3 -2,-0.4 3,-0.1 -0.215 26.6-118.8 -68.7 166.6 6.9 -19.4 27.2 45 66 A T - 0 0 3 10,-2.7 636,-1.9 1,-0.3 235,-0.2 0.420 63.9 -77.9 -92.9 4.6 4.4 -19.0 24.4 46 67 A G > - 0 0 7 233,-2.3 3,-1.8 9,-0.2 4,-0.4 -0.175 64.0 -51.0 116.6 153.0 6.4 -20.7 21.6 47 68 A W T 3 S- 0 0 40 1,-0.3 6,-0.1 236,-0.2 7,-0.1 -0.362 119.9 -11.3 -64.4 119.7 9.3 -19.9 19.4 48 69 A E T 3 S+ 0 0 41 4,-0.3 300,-2.2 5,-0.2 -1,-0.3 0.699 95.4 125.1 65.5 29.2 8.8 -16.5 17.5 49 70 A L S < S+ 0 0 0 -3,-1.8 298,-0.3 298,-0.2 -2,-0.1 0.771 77.8 8.9 -88.6 -26.8 5.2 -16.2 18.5 50 71 A E S S- 0 0 29 -4,-0.4 297,-0.3 2,-0.3 286,-0.1 -0.131 101.1 -70.8-126.4-132.2 5.4 -12.8 20.2 51 72 A K S S+ 0 0 26 284,-0.1 285,-2.2 -2,-0.1 286,-0.1 0.860 98.3 61.7 -97.1 -44.4 8.2 -10.1 20.3 52 73 A a S S- 0 0 4 283,-0.1 -2,-0.3 1,-0.1 -4,-0.3 -0.441 87.3-110.3 -93.7 157.7 11.1 -11.2 22.6 53 74 A V S S+ 0 0 4 16,-0.2 2,-0.3 1,-0.2 -5,-0.2 0.777 114.2 18.9 -58.5 -29.3 13.3 -14.2 22.1 54 75 A G E S+C 69 0C 2 15,-1.8 15,-3.2 224,-0.1 2,-0.3 -0.976 80.7 166.6-128.3 146.9 11.5 -15.7 25.1 55 76 A Q E -C 68 0C 15 224,-0.3 -10,-2.7 -2,-0.3 -9,-0.2 -0.944 21.0-150.8-157.1 132.8 8.1 -14.4 26.2 56 77 A T B -B 44 0B 0 11,-1.9 -12,-0.2 -2,-0.3 -15,-0.1 -0.610 26.3-118.6 -96.6 171.9 5.5 -15.6 28.6 57 78 A G - 0 0 23 -17,-0.7 9,-0.4 -14,-0.6 -16,-0.1 0.652 44.2-152.3 -86.7 -13.0 1.7 -14.9 28.3 58 79 A G - 0 0 0 -18,-0.5 7,-0.2 7,-0.2 -1,-0.2 -0.261 29.2 -77.1 73.4-167.3 1.4 -13.2 31.7 59 80 A V B > > -F 64 0D 0 5,-2.3 5,-2.0 1,-0.1 3,-1.1 -0.795 44.4-177.6-135.7 84.1 -1.7 -13.0 33.8 60 81 A P G > 5S+ 0 0 102 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.869 76.8 63.8 -63.2 -34.1 -4.0 -10.5 32.1 61 82 A R G 3 5S+ 0 0 142 1,-0.3 -2,-0.0 2,-0.1 -28,-0.0 0.823 111.5 39.0 -56.9 -34.6 -6.8 -10.7 34.7 62 83 A L G < 5S- 0 0 29 -3,-1.1 -1,-0.3 2,-0.1 3,-0.1 0.175 119.2-109.2-104.5 17.2 -4.4 -9.4 37.3 63 84 A N T < 5 + 0 0 155 -3,-2.1 2,-0.7 1,-0.2 -2,-0.1 0.862 68.9 144.3 65.8 37.2 -2.7 -6.8 35.0 64 85 A I B < -F 59 0D 10 -5,-2.0 -5,-2.3 -7,-0.1 -1,-0.2 -0.949 42.4-143.0-109.0 110.5 0.6 -8.7 34.7 65 86 A G - 0 0 16 -2,-0.7 -7,-0.2 -7,-0.2 -9,-0.1 -0.357 34.1 -84.4 -69.2 153.1 1.9 -8.3 31.2 66 87 A G - 0 0 12 -9,-0.4 2,-0.4 -8,-0.1 -9,-0.2 -0.243 50.7-109.9 -52.1 139.7 3.7 -11.2 29.6 67 88 A M - 0 0 1 -3,-0.1 -11,-1.9 49,-0.1 2,-0.5 -0.646 27.4-150.5 -82.4 126.8 7.4 -11.4 30.6 68 89 A a E -C 55 0C 0 -2,-0.4 50,-1.9 -13,-0.2 49,-1.5 -0.888 11.3-169.3-102.0 124.7 9.7 -10.5 27.8 69 90 A L E +Cd 54 118C 0 -15,-3.2 -15,-1.8 -2,-0.5 2,-0.4 -0.964 12.2 179.0-115.2 128.4 13.2 -12.2 28.0 70 91 A Q E - d 0 119C 0 48,-2.5 50,-2.9 -2,-0.4 -18,-0.0 -0.996 16.3-104.0-138.9 133.0 15.9 -10.9 25.6 71 92 A D + 0 0 12 -2,-0.4 6,-2.5 48,-0.2 50,-0.1 -0.306 55.6 66.9 -57.5 162.4 19.6 -11.6 24.9 72 93 A S > - 0 0 0 4,-0.4 3,-1.3 48,-0.3 49,-0.1 0.678 39.1-149.3-132.7 174.4 22.4 -10.7 25.2 73 94 A P T 3 S+ 0 0 2 0, 0.0 50,-0.1 0, 0.0 3,-0.1 0.536 108.6 40.8 -59.1 -8.6 25.1 -10.2 28.0 74 95 A L T 3 S- 0 0 5 1,-0.5 11,-2.6 48,-0.1 2,-0.2 0.133 129.1 -36.3-125.7 14.5 26.6 -7.3 25.9 75 96 A G S < S- 0 0 0 -3,-1.3 -1,-0.5 9,-0.2 9,-0.1 -0.614 84.3 -47.5 142.8 159.6 23.5 -5.5 24.6 76 97 A I - 0 0 0 7,-0.3 358,-0.8 -2,-0.2 3,-0.5 -0.348 57.2-140.8 -62.2 127.2 20.0 -5.9 23.3 77 98 A R S S+ 0 0 26 -6,-2.5 356,-0.2 356,-0.2 -24,-0.1 -0.593 72.9 6.2 -85.5 145.7 19.8 -8.7 20.6 78 99 A D S S+ 0 0 31 -2,-0.2 -1,-0.2 1,-0.2 260,-0.2 0.797 106.1 102.6 64.9 34.9 17.7 -8.6 17.4 79 100 A S - 0 0 2 -3,-0.5 2,-0.3 258,-0.1 -1,-0.2 -0.527 63.5-109.5-134.8-161.4 16.6 -5.0 17.9 80 101 A D S S+ 0 0 8 -2,-0.2 283,-0.3 281,-0.1 3,-0.1 -0.953 81.6 16.6-139.9 155.9 17.2 -1.4 16.7 81 102 A Y S S+ 0 0 15 -2,-0.3 282,-2.0 1,-0.2 283,-0.5 0.806 90.2 125.9 51.1 45.6 18.8 1.8 18.0 82 103 A N - 0 0 2 352,-0.3 2,-0.2 280,-0.2 -1,-0.2 -0.683 60.1-106.0-121.6 169.2 20.5 0.0 20.8 83 104 A S - 0 0 0 -2,-0.2 2,-0.5 280,-0.1 -7,-0.3 -0.607 14.7-138.0 -95.4 159.7 24.2 -0.0 21.8 84 105 A A - 0 0 0 -2,-0.2 471,-2.1 353,-0.1 472,-0.3 -0.956 26.9-160.3-117.1 107.4 26.8 -2.8 21.4 85 106 A F - 0 0 1 -11,-2.6 469,-0.2 -2,-0.5 3,-0.1 -0.364 29.1 -87.0 -87.6 165.0 28.9 -3.0 24.5 86 107 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 340,-0.1 -0.328 59.0 -93.6 -62.3 152.6 32.4 -4.6 24.9 87 108 A A >> - 0 0 0 465,-2.1 4,-1.5 338,-0.2 3,-1.0 -0.188 33.6-104.2 -63.8 161.9 32.2 -8.4 25.7 88 109 A G H 3> S+ 0 0 2 1,-0.3 4,-2.4 50,-0.2 50,-0.2 0.875 121.3 63.1 -57.7 -31.3 32.2 -9.8 29.2 89 110 A V H 3> S+ 0 0 4 48,-2.2 4,-2.2 1,-0.3 -1,-0.3 0.861 100.5 52.6 -61.9 -35.9 35.9 -10.8 28.7 90 111 A N H <> S+ 0 0 0 -3,-1.0 4,-1.1 47,-0.3 -1,-0.3 0.888 105.5 53.8 -62.4 -42.1 36.8 -7.1 28.2 91 112 A V H >X>S+ 0 0 0 -4,-1.5 3,-0.9 1,-0.2 4,-0.8 0.945 107.8 51.4 -59.1 -45.0 35.1 -6.4 31.5 92 113 A A H ><5S+ 0 0 0 -4,-2.4 3,-1.3 47,-0.3 -2,-0.2 0.931 106.0 54.2 -52.0 -49.1 37.3 -9.0 33.1 93 114 A A H 3<5S+ 0 0 0 -4,-2.2 481,-2.2 1,-0.3 -1,-0.3 0.708 99.8 61.9 -63.7 -23.5 40.4 -7.4 31.6 94 115 A T H <<5S- 0 0 0 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.783 84.7-156.1 -70.1 -23.5 39.5 -4.1 33.2 95 116 A W T <<5 + 0 0 0 -3,-1.3 2,-0.6 -4,-0.8 -3,-0.1 0.810 50.6 135.9 53.9 27.9 39.7 -5.6 36.7 96 117 A D >< - 0 0 22 -5,-0.7 4,-2.3 1,-0.1 -1,-0.2 -0.882 43.7-173.3-122.1 105.4 37.4 -2.8 37.5 97 118 A K H > S+ 0 0 56 -2,-0.6 4,-2.2 1,-0.2 -1,-0.1 0.843 90.4 53.7 -59.6 -39.6 34.2 -3.3 39.7 98 119 A N H > S+ 0 0 97 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.951 109.3 45.6 -67.7 -46.8 33.0 0.1 39.0 99 120 A L H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.877 111.1 53.8 -62.4 -40.9 33.1 -0.2 35.2 100 121 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.936 111.7 46.0 -57.8 -48.5 31.5 -3.6 35.4 101 122 A Y H X S+ 0 0 53 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.959 113.0 48.7 -55.7 -47.6 28.7 -2.0 37.5 102 123 A L H X S+ 0 0 56 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.885 110.2 50.6 -69.0 -36.6 28.3 1.0 35.0 103 124 A R H X S+ 0 0 3 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.934 110.7 50.1 -61.5 -43.2 28.2 -1.3 32.0 104 125 A G H X S+ 0 0 0 -4,-2.3 4,-3.4 -5,-0.2 -2,-0.2 0.932 112.8 47.8 -62.1 -40.1 25.4 -3.4 33.7 105 126 A Q H X S+ 0 0 65 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.945 110.7 49.3 -66.7 -44.3 23.5 -0.1 34.5 106 127 A A H X S+ 0 0 4 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.936 115.2 46.1 -61.6 -40.8 23.8 1.2 30.9 107 128 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.954 110.2 51.5 -66.1 -52.1 22.6 -2.1 29.6 108 129 A G H X S+ 0 0 0 -4,-3.4 4,-3.3 1,-0.2 5,-0.2 0.911 109.1 52.6 -51.2 -42.1 19.6 -2.4 32.1 109 130 A Q H X S+ 0 0 42 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.922 111.1 45.7 -57.0 -46.8 18.5 1.1 31.0 110 131 A E H X S+ 0 0 1 -4,-1.8 4,-0.9 2,-0.2 -2,-0.2 0.915 115.2 46.4 -64.7 -48.1 18.5 0.2 27.3 111 132 A F H ><>S+ 0 0 0 -4,-2.8 5,-2.0 1,-0.2 3,-1.2 0.960 113.2 50.1 -60.6 -44.2 16.6 -3.2 28.0 112 133 A S H ><5S+ 0 0 7 -4,-3.3 3,-1.8 -5,-0.3 -1,-0.2 0.904 106.9 54.2 -60.9 -43.0 14.1 -1.4 30.2 113 134 A D H 3<5S+ 0 0 50 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.667 105.0 55.3 -69.5 -11.9 13.4 1.4 27.6 114 135 A K T <<5S- 0 0 0 -3,-1.2 219,-2.1 -4,-0.9 220,-0.3 0.382 122.3-104.3 -97.4 3.6 12.6 -1.3 25.0 115 136 A G T < 5S+ 0 0 0 -3,-1.8 2,-0.4 -4,-0.3 -3,-0.2 0.776 72.1 146.5 80.9 25.0 9.9 -2.9 27.2 116 137 A I < - 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0 0 18 -2,-0.6 407,-0.1 405,-0.2 2,-0.1 -0.973 34.7-118.3-139.9 135.9 42.6 15.8 -39.4 1035 221 B D > - 0 0 77 -2,-0.4 4,-2.1 405,-0.3 5,-0.2 -0.349 32.6-111.9 -73.0 164.9 41.6 18.7 -41.8 1036 222 B D H > S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.857 113.2 51.5 -71.3 -34.5 43.2 22.2 -41.3 1037 223 B K H > S+ 0 0 49 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.943 110.9 46.4 -68.2 -49.9 40.0 23.9 -40.1 1038 224 B T H >>S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.7 0.928 110.6 52.9 -58.4 -44.3 39.1 21.4 -37.4 1039 225 B I H <>S+ 0 0 10 -4,-2.1 5,-3.4 1,-0.2 6,-0.5 0.938 114.3 43.2 -61.5 -41.0 42.6 21.3 -36.0 1040 226 B H H <5S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.902 118.9 41.4 -69.9 -41.1 42.6 25.2 -35.8 1041 227 B E H <5S+ 0 0 19 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.683 132.6 11.5 -82.1 -19.5 39.1 25.5 -34.3 1042 228 B M T <5S+ 0 0 2 -4,-2.3 3,-0.5 -5,-0.2 -3,-0.2 0.636 127.2 29.2-122.2 -80.9 39.2 22.6 -31.8 1043 229 B Y T S+ 0 0 7 -6,-0.5 4,-2.0 -3,-0.5 -1,-0.2 0.896 90.5 48.2 -55.5 -43.5 43.0 26.3 -29.8 1046 232 B P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.873 110.1 54.0 -67.5 -28.3 43.9 25.4 -26.1 1047 233 B F H > S+ 0 0 1 -4,-0.5 4,-2.7 -3,-0.4 5,-0.2 0.896 104.2 54.6 -70.1 -30.4 47.6 25.3 -27.2 1048 234 B A H X S+ 0 0 6 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.947 110.1 47.3 -62.2 -49.2 47.3 28.8 -28.6 1049 235 B D H X S+ 0 0 18 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.879 111.6 50.3 -52.3 -44.5 46.0 29.9 -25.1 1050 236 B A H <>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-0.3 0.905 111.9 47.4 -63.6 -43.7 48.9 28.0 -23.4 1051 237 B V H ><5S+ 0 0 2 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.949 113.7 48.1 -58.4 -52.5 51.5 29.7 -25.7 1052 238 B R H 3<5S+ 0 0 103 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.836 105.6 57.8 -60.6 -30.2 49.9 33.1 -25.1 1053 239 B A T 3<5S- 0 0 16 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.503 124.0-103.8 -82.2 -7.4 49.8 32.5 -21.3 1054 240 B G T < 5 - 0 0 0 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.663 50.9-179.0 102.6 17.5 53.7 32.1 -21.5 1055 241 B V < - 0 0 1 -5,-2.4 34,-0.3 1,-0.1 33,-0.2 -0.203 17.1-152.3 -56.7 139.4 54.0 28.2 -21.2 1056 242 B G + 0 0 0 -56,-0.5 34,-1.8 1,-0.1 2,-0.3 0.804 67.5 25.5 -90.2 -25.3 57.7 27.3 -21.3 1057 243 B A E -op10011090Y 0 -57,-1.8 -55,-2.5 32,-0.2 2,-0.4 -0.928 55.2-159.2-137.3 156.9 57.6 23.8 -22.8 1058 244 B I E -op10021091Y 0 32,-2.0 34,-2.8 -2,-0.3 2,-0.6 -0.972 14.4-145.5-129.3 138.3 55.4 21.6 -25.1 1059 245 B M E - p 01092Y 2 -57,-2.3 -54,-3.2 -2,-0.4 -55,-0.5 -0.960 17.2-141.0-105.5 122.8 55.5 17.8 -25.1 1060 246 B e E -op10051093Y 0 32,-2.6 34,-1.0 -2,-0.6 -54,-0.2 -0.490 25.9-106.3 -80.2 160.7 54.9 16.3 -28.5 1061 247 B S - 0 0 1 -56,-1.8 10,-0.5 -2,-0.2 9,-0.2 -0.262 3.8-127.2-100.7 165.8 52.9 13.1 -28.9 1062 248 B Y S S+ 0 0 17 8,-0.1 -33,-0.2 7,-0.1 -1,-0.1 0.766 86.5 79.0 -73.9 -30.6 53.3 9.3 -29.6 1063 249 B N S S- 0 0 0 6,-0.1 7,-2.6 1,-0.1 2,-0.3 -0.298 81.7-116.0 -79.1 162.8 50.7 9.2 -32.4 1064 250 B Q E -rT10311069Z 11 -34,-3.0 -32,-3.0 5,-0.3 2,-0.5 -0.661 13.6-142.0 -85.6 162.6 51.3 10.3 -36.0 1065 251 B I E > S-rT10321068Z 8 3,-2.6 3,-0.9 -2,-0.3 -32,-0.2 -0.998 87.8 -18.6-122.5 121.0 49.4 13.2 -37.6 1066 252 B N T 3 S- 0 0 31 -34,-2.3 -227,-0.5 -2,-0.5 -1,-0.1 0.898 130.7 -53.0 43.7 48.3 48.7 12.4 -41.3 1067 253 B N T 3 S+ 0 0 43 -229,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.792 117.0 107.8 61.8 34.3 51.4 9.7 -41.1 1068 254 B S E < S-T 1065 0Z 30 -3,-0.9 -3,-2.6 -230,-0.1 -1,-0.1 -0.969 77.3-109.3-134.8 123.1 54.2 11.9 -39.7 1069 255 B Y E > -T 1064 0Z 19 -2,-0.4 3,-2.4 -5,-0.3 -5,-0.3 -0.222 23.1-118.6 -54.5 142.7 55.1 11.2 -36.0 1070 256 B G G > S+ 0 0 0 -7,-2.6 3,-0.8 1,-0.3 -9,-0.1 0.738 111.0 53.7 -47.5 -41.6 54.2 13.9 -33.5 1071 257 B e G 3 S+ 0 0 0 -10,-0.5 -1,-0.3 26,-0.5 38,-0.2 0.200 120.4 30.2 -92.9 19.7 57.8 14.5 -32.5 1072 258 B Q G < S+ 0 0 46 -3,-2.4 2,-0.9 36,-0.1 -1,-0.2 0.053 80.8 129.9-154.7 41.5 59.0 15.2 -36.0 1073 259 B N <>> - 0 0 0 -3,-0.8 4,-2.7 1,-0.2 5,-0.5 -0.814 36.9-169.1 -98.3 100.7 55.9 16.6 -37.6 1074 260 B S H >>S+ 0 0 7 -2,-0.9 5,-1.8 1,-0.2 4,-1.2 0.858 83.6 54.8 -64.7 -32.1 57.3 19.7 -39.3 1075 261 B Y H 4>S+ 0 0 41 -235,-0.2 5,-2.6 3,-0.2 4,-0.3 0.974 115.6 35.3 -66.1 -51.5 53.7 21.0 -40.0 1076 262 B T H 4>S+ 0 0 3 3,-0.2 5,-2.2 4,-0.2 6,-0.2 0.924 130.7 33.1 -69.9 -38.7 52.4 20.8 -36.4 1077 263 B L H <>S+ 0 0 0 -4,-2.7 5,-1.8 30,-0.2 -3,-0.2 0.929 129.9 27.7 -85.8 -54.0 55.7 21.8 -34.8 1078 264 B N I - 0 0 11 -34,-1.0 3,-2.2 -2,-0.2 2,-0.9 -0.328 60.7 -73.3 -61.9 166.5 57.0 12.0 -25.0 1095 281 B W T 3 S+ 0 0 20 1,-0.3 -1,-0.1 2,-0.2 24,-0.1 -0.576 124.3 1.9 -84.4 100.6 59.0 9.0 -23.6 1096 282 B G T 3 S+ 0 0 19 17,-1.1 -1,-0.3 -2,-0.9 21,-0.0 0.499 103.5 109.2 96.4 3.6 59.8 6.8 -26.6 1097 283 B A < + 0 0 1 -3,-2.2 2,-0.5 16,-0.5 -26,-0.5 0.553 49.5 99.7 -87.6 -8.7 58.1 9.4 -29.0 1098 284 B H + 0 0 6 -4,-0.5 3,-0.1 15,-0.4 -26,-0.1 -0.672 43.9 166.7 -78.4 124.4 61.6 10.3 -30.4 1099 285 B H + 0 0 56 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.327 55.2 15.2-125.4 3.6 62.0 8.5 -33.8 1100 286 B S - 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