==== 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 4IIE . 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) . 52845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1063 63.8 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 . 157 9.4 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 . 7 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 . 144 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 191 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 . 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 4 4 6 2 7 3 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 . 11 6 4 7 3 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 1 1 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 0 155 0, 0.0 601,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.4 28.9 -44.0 33.5 2 23 A A - 0 0 34 194,-0.1 2,-0.4 1,-0.1 228,-0.0 -0.138 360.0-154.9 -42.7 139.8 28.8 -40.9 35.8 3 24 A F - 0 0 150 230,-0.0 229,-0.2 229,-0.0 228,-0.1 -0.967 11.0-141.6-127.0 142.6 25.6 -40.8 37.9 4 25 A S - 0 0 20 227,-0.5 235,-0.1 -2,-0.4 236,-0.1 -0.866 22.9-135.5-109.7 108.0 23.9 -37.8 39.4 5 26 A P - 0 0 56 0, 0.0 235,-0.2 0, 0.0 2,-0.0 -0.191 26.3-107.6 -62.1 148.8 22.4 -38.6 42.9 6 27 A P - 0 0 86 0, 0.0 2,-0.3 0, 0.0 232,-0.0 -0.333 29.2-172.1 -75.1 152.0 18.8 -37.3 43.7 7 28 A F - 0 0 55 -2,-0.0 236,-0.2 705,-0.0 237,-0.1 -0.815 22.7-155.0-145.6 116.0 18.1 -34.4 46.0 8 29 A Y + 0 0 42 -2,-0.3 704,-0.2 702,-0.1 2,-0.2 -0.953 53.0 44.4-144.8 153.3 14.4 -33.8 46.8 9 30 A P S S- 0 0 4 0, 0.0 703,-0.1 0, 0.0 704,-0.1 0.564 78.0-117.8 -80.6 168.4 12.2 -32.0 47.7 10 31 A S - 0 0 0 702,-0.4 263,-0.1 261,-0.2 -2,-0.1 -0.635 41.0-112.7 -68.8 110.1 12.8 -28.8 45.6 11 32 A P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.171 29.7-133.7 -53.1 140.4 13.4 -26.1 48.3 12 33 A W - 0 0 22 643,-0.2 643,-0.1 1,-0.1 296,-0.1 -0.666 25.1 -96.1 -95.9 152.5 10.7 -23.5 48.5 13 34 A A - 0 0 4 -2,-0.3 -1,-0.1 1,-0.1 240,-0.1 -0.163 35.9-179.8 -57.4 153.7 11.3 -19.7 48.8 14 35 A N - 0 0 95 640,-0.0 -1,-0.1 2,-0.0 6,-0.0 0.237 51.8 -97.8-142.4 14.7 11.4 -18.2 52.2 15 36 A G - 0 0 13 1,-0.2 5,-0.3 4,-0.1 6,-0.1 0.824 55.2-167.8 69.6 26.3 12.0 -14.4 52.0 16 37 A Q > - 0 0 46 3,-0.2 3,-2.5 2,-0.1 -1,-0.2 -0.224 44.3 -50.6 -54.0 130.1 15.7 -14.9 52.7 17 38 A G G > S+ 0 0 54 1,-0.3 3,-1.5 2,-0.2 709,-0.0 -0.066 132.7 11.5 47.5-115.1 17.8 -11.6 53.5 18 39 A E G 3 S+ 0 0 110 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.494 121.2 70.6 -78.4 -2.8 17.2 -8.9 50.9 19 40 A W G <> + 0 0 5 -3,-2.5 4,-2.7 1,-0.1 -1,-0.3 0.442 66.9 101.2 -87.4 1.7 14.3 -10.8 49.4 20 41 A A H <> S+ 0 0 50 -3,-1.5 4,-2.0 -5,-0.3 5,-0.2 0.944 86.1 38.5 -54.4 -54.7 11.9 -10.3 52.4 21 42 A E H > S+ 0 0 139 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.935 116.7 49.1 -64.8 -46.4 9.8 -7.6 50.9 22 43 A A H > S+ 0 0 6 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.893 111.3 51.5 -61.5 -39.7 9.7 -9.0 47.3 23 44 A Y H X S+ 0 0 31 -4,-2.7 4,-3.2 2,-0.2 -1,-0.2 0.919 109.3 50.7 -64.3 -38.0 8.6 -12.5 48.7 24 45 A Q H X S+ 0 0 120 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.929 113.5 44.5 -68.2 -44.0 5.8 -10.9 50.7 25 46 A R H X S+ 0 0 74 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.915 113.1 50.4 -68.1 -38.3 4.5 -9.1 47.7 26 47 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.921 111.1 50.1 -59.9 -48.0 4.9 -12.1 45.5 27 48 A V H X S+ 0 0 19 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.921 108.0 53.3 -55.1 -45.2 2.9 -14.2 48.1 28 49 A A H < S+ 0 0 56 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.868 116.6 37.3 -65.4 -37.4 0.1 -11.6 48.2 29 50 A I H >< S+ 0 0 26 -4,-1.8 3,-1.0 2,-0.2 4,-0.2 0.875 113.7 52.5 -82.9 -39.4 -0.4 -11.7 44.4 30 51 A V H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.2 -2,-0.2 0.886 102.4 63.4 -65.3 -33.8 0.2 -15.4 43.7 31 52 A S T 3< S+ 0 0 47 -4,-2.4 -1,-0.2 1,-0.3 631,-0.2 0.753 101.7 52.1 -55.6 -30.1 -2.5 -16.0 46.5 32 53 A Q T < S+ 0 0 110 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.3 0.419 95.0 100.2 -83.7 0.7 -5.0 -14.2 44.2 33 54 A M < - 0 0 6 -3,-1.9 629,-0.2 -4,-0.2 2,-0.1 -0.656 65.9-130.3-102.3 150.1 -4.2 -16.4 41.1 34 55 A T > - 0 0 50 -2,-0.3 4,-2.3 627,-0.1 5,-0.2 -0.330 35.9-104.3 -81.0 163.3 -5.9 -19.3 39.5 35 56 A L H > S+ 0 0 0 627,-0.3 4,-2.2 1,-0.2 5,-0.1 0.895 122.5 49.5 -54.9 -45.8 -3.9 -22.5 38.6 36 57 A D H > S+ 0 0 19 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.818 108.6 53.6 -69.4 -31.6 -3.9 -21.6 34.9 37 58 A E H > S+ 0 0 20 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.952 109.7 47.5 -63.6 -46.6 -2.7 -18.0 35.7 38 59 A K H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 3,-0.2 0.874 110.9 52.9 -57.0 -42.6 0.3 -19.5 37.8 39 60 A V H >X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 3,-0.7 0.896 101.8 59.5 -62.4 -38.9 1.0 -21.8 34.9 40 61 A N H >< S+ 0 0 30 -4,-1.8 3,-0.8 1,-0.2 17,-0.7 0.876 101.7 54.0 -54.2 -41.1 1.1 -18.8 32.5 41 62 A L H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.785 110.1 48.5 -65.7 -32.3 4.0 -17.3 34.6 42 63 A T H << S+ 0 0 0 -4,-1.0 235,-3.0 -3,-0.7 2,-0.5 0.535 104.5 60.9 -84.7 -14.0 6.0 -20.5 34.2 43 64 A T B << S-a 277 0A 7 -4,-0.8 14,-0.6 -3,-0.8 235,-0.2 -0.961 72.1-130.6-129.2 128.0 5.8 -21.2 30.5 44 65 A G B -B 56 0B 1 233,-2.7 12,-0.3 -2,-0.5 3,-0.1 -0.207 25.8-120.9 -64.8 166.1 6.8 -19.3 27.4 45 66 A T - 0 0 3 10,-2.5 637,-2.0 1,-0.3 235,-0.2 0.430 64.4 -72.2 -92.2 -0.6 4.3 -18.8 24.6 46 67 A G > - 0 0 7 233,-2.3 3,-2.1 9,-0.3 4,-0.4 -0.170 64.9 -54.1 122.7 143.8 6.2 -20.5 21.8 47 68 A W T 3 S- 0 0 42 1,-0.3 7,-0.1 236,-0.2 6,-0.1 -0.293 121.7 -12.2 -56.3 115.9 9.2 -19.8 19.5 48 69 A E T 3 S+ 0 0 40 4,-0.3 300,-2.4 5,-0.3 -1,-0.3 0.721 94.9 127.8 62.8 31.7 8.6 -16.3 17.9 49 70 A L S < S+ 0 0 0 -3,-2.1 298,-0.2 298,-0.2 -2,-0.1 0.798 77.8 11.3 -81.7 -30.6 5.0 -16.1 18.9 50 71 A E S S- 0 0 31 -4,-0.4 297,-0.3 2,-0.3 287,-0.2 -0.063 102.0 -72.0-126.0-136.8 5.4 -12.7 20.5 51 72 A K S S+ 0 0 25 284,-0.1 285,-2.3 285,-0.1 286,-0.2 0.854 98.2 63.9 -95.8 -37.5 8.2 -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 -0.450 86.6-111.2 -95.7 158.5 11.1 -11.2 22.7 53 74 A V S S+ 0 0 4 16,-0.2 2,-0.3 1,-0.2 -5,-0.3 0.841 115.2 18.8 -57.8 -31.7 13.4 -14.2 22.3 54 75 A G E S+C 69 0C 0 15,-2.2 15,-2.8 -7,-0.1 2,-0.3 -0.988 79.8 170.3-128.1 143.7 11.5 -15.6 25.3 55 76 A Q E -C 68 0C 17 224,-0.4 -10,-2.5 -2,-0.3 -9,-0.3 -0.940 18.1-155.5-153.4 128.5 8.1 -14.3 26.4 56 77 A T B -B 44 0B 0 11,-1.9 -12,-0.2 -2,-0.3 -15,-0.1 -0.626 27.9-120.6 -93.0 168.4 5.4 -15.5 28.9 57 78 A G - 0 0 23 -17,-0.7 9,-0.4 -14,-0.6 -16,-0.1 0.631 44.3-152.2 -85.3 -10.5 1.7 -14.7 28.6 58 79 A G - 0 0 0 -18,-0.4 7,-0.2 7,-0.2 -1,-0.2 -0.210 29.1 -73.1 70.7-165.3 1.5 -13.0 32.0 59 80 A V B > > -F 64 0D 0 5,-1.9 5,-2.5 1,-0.1 3,-0.6 -0.832 46.0-179.7-133.0 83.4 -1.7 -12.7 34.2 60 81 A P G > 5S+ 0 0 101 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.900 78.2 60.9 -67.4 -30.9 -4.0 -10.2 32.5 61 82 A R G 3 5S+ 0 0 145 1,-0.3 -2,-0.0 2,-0.1 -28,-0.0 0.896 112.5 40.7 -58.4 -34.0 -6.8 -10.4 35.1 62 83 A L G < 5S- 0 0 30 -3,-0.6 -1,-0.3 2,-0.1 3,-0.1 0.208 118.0-111.9-100.7 15.4 -4.2 -9.2 37.6 63 84 A N T < 5 + 0 0 154 -3,-2.0 2,-0.6 1,-0.2 -2,-0.1 0.866 67.0 147.3 62.7 36.4 -2.6 -6.6 35.3 64 85 A I B < -F 59 0D 10 -5,-2.5 -5,-1.9 -7,-0.1 -1,-0.2 -0.945 42.1-139.8-102.4 110.8 0.7 -8.6 35.1 65 86 A G - 0 0 15 -2,-0.6 -7,-0.2 -7,-0.2 -9,-0.1 -0.343 33.1 -88.1 -63.8 147.1 2.1 -8.0 31.5 66 87 A G - 0 0 13 -9,-0.4 2,-0.5 -8,-0.2 -9,-0.2 -0.227 50.6-106.3 -47.7 141.4 3.7 -11.0 29.8 67 88 A M - 0 0 2 -3,-0.1 -11,-1.9 -26,-0.1 2,-0.6 -0.714 28.6-152.2 -82.8 123.1 7.5 -11.3 30.8 68 89 A a E -C 55 0C 0 -2,-0.5 50,-2.3 -13,-0.2 49,-2.0 -0.894 12.4-172.8-100.9 118.8 9.8 -10.3 28.0 69 90 A L E +Cd 54 118C 0 -15,-2.8 -15,-2.2 -2,-0.6 2,-0.4 -0.951 10.8 179.9-111.5 129.4 13.2 -12.1 28.2 70 91 A Q E - d 0 119C 0 48,-2.2 50,-2.6 -2,-0.5 -18,-0.1 -0.990 17.5-102.3-139.5 134.0 15.9 -10.8 25.7 71 92 A D + 0 0 15 -2,-0.4 6,-2.4 48,-0.2 50,-0.1 -0.281 57.7 69.0 -63.1 165.6 19.5 -11.7 24.8 72 93 A S > - 0 0 0 4,-0.4 3,-1.3 48,-0.3 49,-0.2 0.714 39.1-152.1-127.7-178.7 22.4 -10.7 25.1 73 94 A P T 3 S+ 0 0 2 0, 0.0 48,-0.1 0, 0.0 3,-0.1 0.603 107.6 39.7 -67.3 -10.8 25.1 -10.3 27.9 74 95 A L T 3 S- 0 0 4 1,-0.4 11,-2.2 358,-0.1 2,-0.2 0.165 129.2 -32.2-123.0 17.2 26.6 -7.4 26.0 75 96 A G S < S- 0 0 0 -3,-1.3 -1,-0.4 9,-0.2 2,-0.3 -0.625 84.9 -51.5 145.3 159.2 23.6 -5.4 24.6 76 97 A I - 0 0 0 7,-0.3 358,-0.8 -2,-0.2 3,-0.5 -0.392 57.0-142.4 -65.6 126.0 20.0 -5.9 23.3 77 98 A R S S+ 0 0 25 -6,-2.4 356,-0.2 -2,-0.3 -24,-0.1 -0.544 71.3 8.5 -84.2 148.7 19.9 -8.6 20.6 78 99 A D S S+ 0 0 32 -2,-0.2 -1,-0.2 1,-0.2 260,-0.2 0.818 106.8 98.8 62.7 37.8 17.7 -8.5 17.5 79 100 A S - 0 0 2 -3,-0.5 2,-0.3 255,-0.1 -1,-0.2 -0.470 64.9-108.4-137.0-159.4 16.5 -4.9 18.0 80 101 A D S S+ 0 0 8 -2,-0.2 283,-0.2 281,-0.1 3,-0.1 -0.993 80.5 17.6-147.0 159.8 17.3 -1.4 16.9 81 102 A Y S S+ 0 0 14 -2,-0.3 282,-2.0 1,-0.2 283,-0.6 0.811 90.2 125.1 49.9 43.6 18.8 1.9 18.1 82 103 A N - 0 0 1 352,-0.3 -1,-0.2 281,-0.1 2,-0.2 -0.709 60.4-108.3-117.6 165.5 20.6 0.0 20.9 83 104 A S - 0 0 0 -2,-0.2 2,-0.5 352,-0.1 -7,-0.3 -0.572 13.8-136.5 -90.1 164.4 24.3 -0.0 21.8 84 105 A A - 0 0 0 -2,-0.2 471,-2.4 353,-0.1 472,-0.3 -0.949 26.5-162.6-122.1 102.7 26.8 -2.8 21.4 85 106 A F - 0 0 1 -11,-2.2 469,-0.2 -2,-0.5 348,-0.1 -0.339 30.6 -86.0 -80.5 169.3 29.0 -3.0 24.5 86 107 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 340,-0.1 -0.387 57.6 -93.9 -71.9 159.6 32.4 -4.8 24.8 87 108 A A >> - 0 0 0 465,-1.9 4,-1.5 338,-0.2 3,-0.7 -0.138 34.1-102.2 -69.6 165.7 32.1 -8.6 25.6 88 109 A G H 3> S+ 0 0 2 50,-0.3 4,-2.3 1,-0.2 50,-0.2 0.853 120.6 63.5 -57.6 -34.9 32.3 -10.0 29.1 89 110 A V H 3> S+ 0 0 3 48,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.900 101.1 51.3 -61.3 -37.6 35.9 -11.0 28.5 90 111 A N H <> S+ 0 0 0 -3,-0.7 4,-1.3 47,-0.2 -1,-0.2 0.899 105.2 56.5 -58.8 -45.4 36.9 -7.3 28.1 91 112 A V H >X>S+ 0 0 0 -4,-1.5 4,-0.8 1,-0.2 3,-0.7 0.944 107.6 48.6 -50.0 -49.5 35.1 -6.6 31.4 92 113 A A H ><5S+ 0 0 0 -4,-2.3 3,-1.3 47,-0.3 -2,-0.2 0.922 106.6 55.5 -51.1 -49.1 37.5 -9.2 33.0 93 114 A A H 3<5S+ 0 0 0 -4,-2.0 481,-2.5 1,-0.3 -1,-0.2 0.763 101.1 59.8 -60.8 -23.7 40.6 -7.6 31.4 94 115 A T H <<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.764 85.2-157.1 -77.3 -22.4 39.6 -4.3 33.0 95 116 A W T <<5 + 0 0 0 -3,-1.3 2,-0.6 -4,-0.8 -3,-0.1 0.810 49.0 136.4 51.2 31.0 39.8 -5.9 36.5 96 117 A D >< - 0 0 21 -5,-0.7 4,-2.5 1,-0.2 -1,-0.2 -0.883 42.8-173.1-124.6 99.9 37.5 -2.9 37.4 97 118 A K H > S+ 0 0 57 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.849 90.7 54.2 -57.1 -41.1 34.5 -3.6 39.6 98 119 A N H > S+ 0 0 92 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.953 109.5 45.1 -64.5 -47.5 33.3 -0.0 39.0 99 120 A L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.891 110.7 55.5 -62.2 -37.7 33.3 -0.4 35.1 100 121 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.942 111.2 44.2 -58.2 -47.6 31.6 -3.8 35.5 101 122 A Y H X S+ 0 0 55 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.934 113.5 50.0 -58.0 -48.7 28.8 -2.1 37.4 102 123 A L H X S+ 0 0 55 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.891 109.6 51.1 -66.5 -35.3 28.5 0.9 35.0 103 124 A R H X S+ 0 0 2 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.914 111.5 47.9 -61.6 -42.6 28.4 -1.5 32.0 104 125 A G H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.2 -2,-0.2 0.905 112.5 49.8 -69.1 -42.3 25.5 -3.4 33.7 105 126 A Q H X S+ 0 0 65 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.940 111.0 46.8 -59.9 -46.8 23.7 -0.1 34.5 106 127 A A H X S+ 0 0 4 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.926 114.7 48.5 -64.6 -43.3 23.9 1.3 31.0 107 128 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.945 111.1 50.5 -57.3 -49.7 22.7 -2.1 29.6 108 129 A G H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.904 107.7 52.6 -58.3 -43.1 19.8 -2.3 32.1 109 130 A Q H X S+ 0 0 42 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.945 112.7 46.1 -54.7 -48.8 18.7 1.3 31.2 110 131 A E H X S+ 0 0 1 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.937 114.1 46.0 -58.8 -52.5 18.6 0.2 27.4 111 132 A F H ><>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 3,-1.2 0.935 113.4 50.6 -56.0 -45.0 16.8 -3.1 28.0 112 133 A S H ><5S+ 0 0 8 -4,-2.8 3,-2.1 1,-0.3 -1,-0.2 0.938 107.3 53.7 -61.0 -43.8 14.2 -1.3 30.4 113 134 A D H 3<5S+ 0 0 49 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.662 103.9 55.1 -67.6 -16.7 13.6 1.4 27.8 114 135 A K T <<5S- 0 0 0 -3,-1.2 219,-2.0 -4,-0.9 220,-0.3 0.388 122.1-106.2 -91.8 2.2 12.7 -1.2 25.1 115 136 A G T < 5S+ 0 0 0 -3,-2.1 2,-0.4 -4,-0.3 -3,-0.2 0.822 71.7 147.0 75.0 32.3 10.1 -2.7 27.5 116 137 A I < - 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0 0 0 -5,-1.4 2,-0.4 -45,-0.0 -1,-0.3 -0.979 68.3-115.5-127.6 139.9 15.7 -5.2 34.8 164 185 A V E -e 118 0C 1 -47,-3.0 -45,-2.9 -2,-0.4 2,-0.3 -0.625 31.3-144.6 -69.4 125.8 15.9 -8.8 36.1 165 186 A A E -e 119 0C 0 -2,-0.4 57,-1.9 -47,-0.2 2,-0.6 -0.639 3.2-145.3 -86.6 151.2 19.4 -10.2 35.4 166 187 A T E -h 222 0F 0 -45,-2.5 2,-0.5 -47,-0.9 57,-0.3 -0.934 4.8-149.4-119.3 108.6 19.8 -13.9 34.4 167 188 A A E -h 223 0F 0 55,-2.8 57,-2.2 -2,-0.6 2,-0.3 -0.684 40.3-133.4 -77.6 117.4 23.0 -15.6 35.7 168 189 A K E +g 123 0E 2 -46,-1.6 -44,-2.5 -2,-0.5 -43,-1.2 -0.882 53.0 12.2-134.4 168.0 23.8 -18.2 32.9 169 190 A H E - 0 0 2 55,-0.5 2,-0.8 -2,-0.3 4,-0.5 0.638 67.1-145.6 -98.5 126.6 24.5 -21.0 31.9 170 191 A Y E +h 225 0F 0 54,-3.3 56,-1.9 -3,-0.2 -45,-0.0 -0.833 61.9 5.7 -97.9 103.5 24.1 -23.1 35.0 171 192 A I S S- 0 0 2 -2,-0.8 -1,-0.2 54,-0.3 55,-0.1 0.744 106.1 -31.9-165.5 156.5 26.3 -25.2 34.9 172 193 A L + 0 0 0 -3,-0.2 2,-1.9 1,-0.2 3,-0.2 0.693 60.3 146.4 73.7 23.5 29.4 -26.9 33.2 173 194 A N + 0 0 2 -4,-0.5 -1,-0.2 1,-0.2 57,-0.0 -0.547 18.0 151.5 -82.3 65.2 28.4 -25.9 29.7 174 195 A E + 0 0 5 -2,-1.9 -44,-0.5 -48,-0.1 2,-0.3 0.506 54.6 29.9 -88.3 -5.5 32.2 -25.7 29.0 175 196 A Q - 0 0 3 -3,-0.2 -42,-0.1 -42,-0.1 -1,-0.1 -0.993 61.6-139.8-145.5 158.7 32.2 -26.5 25.3 176 197 A E S > S+ 0 0 3 -2,-0.3 3,-2.1 311,-0.1 4,-0.2 0.840 71.5 100.9 -87.3 -34.1 29.9 -26.1 22.3 177 198 A H T 3 S+ 0 0 16 1,-0.3 414,-0.2 2,-0.1 -2,-0.1 -0.366 100.0 0.6 -56.2 122.5 30.5 -29.6 20.6 178 199 A F T 3 S+ 0 0 8 2,-0.2 17,-2.6 1,-0.1 -1,-0.3 0.570 88.9 132.6 79.3 17.7 27.6 -32.0 21.3 179 200 A R S < S+ 0 0 4 -3,-2.1 2,-0.3 15,-0.2 15,-0.1 0.744 73.7 24.6 -71.5 -25.6 25.8 -29.5 23.4 180 201 A Q S > S- 0 0 37 -4,-0.2 4,-2.4 1,-0.1 -2,-0.2 -0.993 73.0-135.8-140.9 142.1 22.4 -30.2 21.6 181 202 A V H > S+ 0 0 51 -2,-0.3 4,-2.1 2,-0.2 10,-0.2 0.937 104.2 43.1 -66.0 -50.5 21.3 -33.4 19.8 182 203 A A H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 114.6 53.1 -70.7 -33.1 19.7 -31.9 16.6 183 204 A E H > S+ 0 0 38 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.959 108.9 47.8 -62.6 -46.7 22.6 -29.4 16.4 184 205 A A H <>S+ 0 0 4 -4,-2.4 5,-2.8 2,-0.2 3,-0.3 0.855 108.5 55.8 -60.2 -33.9 25.2 -32.3 16.5 185 206 A A H ><5S+ 0 0 59 -4,-2.1 3,-2.6 1,-0.2 -2,-0.2 0.947 102.0 56.8 -66.7 -43.6 23.1 -34.2 13.9 186 207 A G H 3<5S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.763 107.8 48.8 -56.6 -23.1 23.4 -31.1 11.5 187 208 A Y T 3<5S- 0 0 61 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.339 128.8 -98.7 -98.0 11.1 27.2 -31.5 11.9 188 209 A G T < 5S+ 0 0 69 -3,-2.6 2,-0.5 1,-0.2 -3,-0.2 0.633 83.4 125.2 88.8 13.7 27.0 -35.3 11.1 189 210 A F < - 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