==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-AUG-11 3ZZ1 . COMPND 2 MOLECULE: BETA-D-GLUCOSIDE GLUCOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA; . AUTHOR M.SANDGREN,T.KAPER,N.E.MIKKELSEN,H.HANSSON,K.PIENS,M.GUDMUND . 713 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22396.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 486 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 0.3 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 . 60 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 3.4 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 2 0 4 0 4 1 2 1 0 1 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 1 2 2 0 1 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 . 4 4 1 1 1 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 . 1 2 4 0 0 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 1 A V 0 0 121 0, 0.0 602,-0.1 0, 0.0 225,-0.0 0.000 360.0 360.0 360.0-103.1 -18.9 -4.7 32.3 2 2 A V - 0 0 110 600,-0.2 8,-0.1 223,-0.1 227,-0.0 -0.971 360.0-100.7-123.6 147.7 -19.0 -8.5 32.0 3 3 A P - 0 0 18 0, 0.0 600,-0.1 0, 0.0 4,-0.1 -0.357 43.2-104.4 -66.2 143.1 -20.4 -10.5 29.1 4 4 A P > - 0 0 52 0, 0.0 3,-0.8 0, 0.0 6,-0.5 -0.340 36.5-103.9 -67.7 146.9 -24.0 -11.9 29.4 5 5 A A T 3 S+ 0 0 89 1,-0.2 4,-0.1 5,-0.1 5,-0.0 -0.307 103.2 38.6 -64.8 151.5 -24.5 -15.6 30.0 6 6 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.2 2,-0.1 3,-0.0 0.591 96.5 103.4 80.3 11.5 -25.7 -17.8 27.1 7 7 A T S <> S- 0 0 49 -3,-0.8 4,-2.3 1,-0.1 -1,-0.3 -0.843 86.7-106.8-119.2 158.9 -23.4 -15.9 24.6 8 8 A P H > S+ 0 0 80 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.896 122.2 44.4 -51.8 -44.1 -20.1 -17.0 23.1 9 9 A W H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.830 110.7 55.7 -68.6 -34.2 -18.2 -14.5 25.3 10 10 A G H > S+ 0 0 3 -6,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.914 110.9 42.6 -63.7 -45.7 -20.2 -15.5 28.4 11 11 A T H X S+ 0 0 63 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.868 112.4 54.2 -69.0 -38.6 -19.3 -19.2 28.1 12 12 A A H X S+ 0 0 1 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.871 107.3 52.6 -61.3 -38.4 -15.7 -18.3 27.2 13 13 A Y H X S+ 0 0 21 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.886 105.7 52.2 -65.2 -41.9 -15.6 -16.3 30.5 14 14 A D H X S+ 0 0 110 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.933 113.5 45.0 -57.8 -48.5 -16.8 -19.2 32.6 15 15 A K H X S+ 0 0 90 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.893 112.1 52.2 -60.7 -43.6 -14.1 -21.4 31.1 16 16 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.862 107.5 51.8 -63.7 -38.2 -11.5 -18.6 31.6 17 17 A K H X S+ 0 0 99 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.892 108.3 50.5 -68.1 -41.5 -12.3 -18.2 35.3 18 18 A A H < S+ 0 0 63 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.884 112.3 47.9 -61.3 -40.4 -12.0 -21.9 36.0 19 19 A A H >< S+ 0 0 5 -4,-1.8 3,-1.4 1,-0.2 4,-0.2 0.897 106.6 57.0 -66.9 -42.2 -8.6 -21.9 34.3 20 20 A L H >< S+ 0 0 15 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.820 97.6 62.6 -56.1 -36.5 -7.4 -18.8 36.2 21 21 A A T 3< S+ 0 0 88 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.680 99.7 54.6 -66.7 -18.7 -8.1 -20.6 39.6 22 22 A K T < S+ 0 0 136 -3,-1.4 -1,-0.3 -4,-0.4 2,-0.3 0.439 97.1 88.8 -92.9 -1.7 -5.4 -23.2 38.8 23 23 A L < - 0 0 16 -3,-1.5 2,-0.2 -4,-0.2 26,-0.0 -0.670 58.5-152.5-104.9 151.4 -2.7 -20.6 38.1 24 24 A N > - 0 0 76 -2,-0.3 4,-2.0 1,-0.0 5,-0.1 -0.478 43.9 -87.3-103.3-176.2 -0.1 -18.8 40.3 25 25 A L H > S+ 0 0 46 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.886 125.6 51.1 -64.1 -41.4 1.5 -15.4 39.7 26 26 A Q H > S+ 0 0 118 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 109.0 52.4 -63.5 -42.6 4.3 -16.6 37.4 27 27 A D H > S+ 0 0 26 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.949 113.5 44.4 -49.4 -52.7 1.8 -18.5 35.3 28 28 A K H X S+ 0 0 30 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.858 111.7 50.9 -66.5 -41.2 -0.2 -15.3 34.9 29 29 A V H X S+ 0 0 1 -4,-2.8 4,-1.2 1,-0.2 239,-0.3 0.859 109.1 52.8 -65.8 -36.4 2.8 -13.0 34.3 30 30 A G H < S+ 0 0 7 -4,-2.4 17,-2.9 -5,-0.2 -1,-0.2 0.816 106.9 52.9 -67.3 -32.6 4.0 -15.4 31.6 31 31 A I H < S+ 0 0 0 -4,-1.4 -1,-0.2 15,-0.2 -2,-0.2 0.845 116.5 37.0 -70.8 -35.7 0.6 -15.3 29.9 32 32 A V H < S+ 0 0 0 -4,-1.4 222,-2.6 221,-0.1 2,-0.6 0.562 105.2 78.0 -95.6 -11.0 0.5 -11.4 29.7 33 33 A S B < S-a 254 0A 9 -4,-1.2 14,-0.5 220,-0.2 222,-0.1 -0.900 74.3-132.8-111.6 119.6 4.2 -10.8 28.9 34 34 A G - 0 0 2 220,-2.1 12,-0.2 -2,-0.6 3,-0.1 -0.364 20.8-125.3 -61.4 144.1 5.8 -11.3 25.5 35 35 A V - 0 0 46 10,-2.4 222,-0.2 1,-0.2 2,-0.2 0.676 66.0 -77.0 -70.1 -17.8 9.1 -13.3 25.6 36 36 A G > - 0 0 7 220,-2.2 3,-2.8 9,-0.3 4,-0.4 -0.509 62.5 -49.5 135.0 156.9 11.0 -10.5 23.8 37 37 A W T 3 S- 0 0 91 222,-0.4 7,-0.1 1,-0.3 222,-0.1 -0.415 132.2 -5.4 -57.6 121.1 11.5 -8.9 20.4 38 38 A N T 3 S+ 0 0 130 5,-0.4 -1,-0.3 -2,-0.2 6,-0.1 0.775 100.7 133.5 55.7 30.4 12.3 -11.9 18.1 39 39 A G < + 0 0 50 -3,-2.8 -2,-0.2 4,-0.2 4,-0.1 0.728 65.4 27.2 -82.5 -25.4 12.2 -14.0 21.3 40 40 A G S S- 0 0 27 2,-0.5 5,-0.1 -4,-0.4 18,-0.0 -0.600 96.3 -90.7-122.2-172.5 10.0 -16.8 19.9 41 41 A P S S+ 0 0 92 0, 0.0 2,-0.1 0, 0.0 4,-0.1 0.743 104.9 60.9 -73.4 -24.1 9.3 -18.3 16.5 42 42 A a S S- 0 0 7 15,-0.1 -2,-0.5 1,-0.1 18,-0.2 -0.390 99.8 -99.8 -97.5 174.9 6.4 -16.0 15.8 43 43 A V S S+ 0 0 15 16,-0.8 -5,-0.4 1,-0.2 2,-0.3 0.881 114.4 15.8 -60.0 -39.1 6.1 -12.1 15.5 44 44 A G E S+B 59 0B 3 15,-2.4 15,-3.0 -7,-0.1 2,-0.3 -0.992 73.6 177.0-134.7 145.1 4.9 -12.3 19.1 45 45 A N E -B 58 0B 6 -2,-0.3 -10,-2.4 211,-0.3 -9,-0.3 -0.996 10.2-162.5-145.2 141.9 5.0 -15.0 21.7 46 46 A T - 0 0 0 11,-1.1 -15,-0.2 -2,-0.3 -12,-0.2 -0.579 39.0 -86.0-108.9 179.4 3.9 -15.4 25.4 47 47 A S - 0 0 47 -17,-2.9 10,-0.1 -14,-0.5 -14,-0.1 -0.747 45.5-115.1 -90.9 133.1 5.0 -18.0 27.9 48 48 A P - 0 0 83 0, 0.0 2,-0.5 0, 0.0 8,-0.2 -0.245 14.8-152.0 -65.7 150.4 3.1 -21.4 28.0 49 49 A A B > > -E 54 0C 1 5,-2.0 5,-2.6 6,-0.2 3,-1.5 -0.854 12.4-178.0-123.1 93.8 1.0 -22.4 31.0 50 50 A S G > 5S+ 0 0 104 -2,-0.5 3,-1.4 1,-0.3 -1,-0.1 0.724 72.7 76.4 -65.1 -26.1 1.0 -26.2 31.0 51 51 A K G 3 5S+ 0 0 100 1,-0.3 -1,-0.3 2,-0.1 -28,-0.0 0.754 112.9 25.1 -57.7 -26.5 -1.3 -26.4 34.1 52 52 A I G < 5S- 0 0 15 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.111 115.3-108.6-123.3 17.7 -4.2 -25.5 31.8 53 53 A S T < 5 + 0 0 101 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.805 63.7 159.1 56.6 33.2 -2.6 -26.8 28.5 54 54 A Y B < -E 49 0C 3 -5,-2.6 -5,-2.0 1,-0.0 -1,-0.2 -0.782 29.0-146.7 -87.3 119.6 -2.2 -23.2 27.4 55 55 A P - 0 0 45 0, 0.0 2,-0.8 0, 0.0 -6,-0.2 -0.175 36.2 -78.1 -76.9 173.9 0.5 -23.1 24.6 56 56 A S - 0 0 42 -8,-0.2 -9,-0.1 -11,-0.1 2,-0.1 -0.709 61.8-119.6 -65.9 112.1 3.0 -20.3 24.0 57 57 A L - 0 0 0 -2,-0.8 -11,-1.1 -10,-0.1 2,-0.6 -0.403 25.5-145.2 -62.4 130.2 0.5 -18.0 22.2 58 58 A a E -B 45 0B 4 -13,-0.2 50,-2.5 -2,-0.1 49,-1.3 -0.898 16.3-172.7-108.7 115.8 1.7 -17.4 18.6 59 59 A L E +Bc 44 108B 0 -15,-3.0 -15,-2.4 -2,-0.6 -16,-0.8 -0.914 8.8 173.7-111.6 131.2 1.0 -14.0 17.2 60 60 A Q E - c 0 109B 2 48,-2.9 50,-2.5 -2,-0.4 2,-0.1 -0.990 25.4 -82.1-138.9 143.7 1.7 -13.1 13.5 61 61 A D + 0 0 11 -2,-0.3 6,-2.9 48,-0.2 50,-0.1 -0.413 54.2 71.9 -69.0 156.3 1.2 -10.3 11.1 62 62 A G > - 0 0 2 48,-0.4 3,-1.5 4,-0.3 49,-0.2 0.657 37.7-167.1-156.9-153.7 -1.0 -9.3 9.4 63 63 A P T 3 S+ 0 0 9 0, 0.0 48,-0.1 0, 0.0 3,-0.1 0.624 111.1 34.5 -62.9 -21.3 -4.2 -7.8 7.8 64 64 A L T 3 S- 0 0 3 1,-0.4 11,-2.2 321,-0.2 2,-0.3 0.180 126.6 -52.0-120.2 16.3 -3.7 -9.4 4.3 65 65 A G S < S- 0 0 1 -3,-1.5 2,-0.5 9,-0.2 -1,-0.4 -0.825 80.3 -31.3 141.5-178.0 -2.1 -12.7 5.2 66 66 A V > - 0 0 1 7,-0.4 3,-0.8 -2,-0.3 322,-0.3 -0.593 57.1-137.7 -79.3 118.3 0.6 -14.6 7.0 67 67 A R T 3 S+ 0 0 20 -6,-2.9 320,-0.1 -2,-0.5 3,-0.1 -0.501 81.4 12.4 -76.4 144.0 3.9 -12.6 7.3 68 68 A Y T 3 S+ 0 0 116 1,-0.3 -1,-0.2 -2,-0.2 2,-0.2 0.398 93.8 135.6 72.2 1.7 7.2 -14.4 6.7 69 69 A S < - 0 0 1 -3,-0.8 319,-0.3 1,-0.1 -1,-0.3 -0.514 43.4-165.0 -81.1 147.4 5.5 -17.4 5.2 70 70 A T S S+ 0 0 100 241,-2.2 242,-0.2 -2,-0.2 -1,-0.1 0.407 89.3 45.4-107.2 -3.5 6.8 -19.0 2.0 71 71 A G S S+ 0 0 4 240,-0.7 244,-2.7 242,-0.3 245,-0.6 0.017 92.4 101.9-128.0 29.7 3.6 -21.1 1.4 72 72 A S S S- 0 0 2 242,-0.2 2,-0.3 243,-0.1 244,-0.1 -0.733 70.1-105.8-115.6 160.9 0.8 -18.5 2.0 73 73 A T - 0 0 1 -2,-0.3 2,-0.9 242,-0.1 -7,-0.4 -0.616 21.0-137.5 -80.2 139.5 -1.5 -16.4 -0.1 74 74 A A - 0 0 0 -2,-0.3 434,-0.8 317,-0.1 -9,-0.2 -0.872 29.7-159.3 -92.9 98.1 -0.9 -12.7 -0.5 75 75 A F - 0 0 0 -11,-2.2 312,-0.1 -2,-0.9 432,-0.1 -0.315 26.9 -89.0 -74.1 161.3 -4.4 -11.4 -0.2 76 76 A T - 0 0 0 430,-0.1 -1,-0.1 1,-0.1 304,-0.1 -0.382 52.1 -95.3 -62.9 148.2 -5.4 -7.9 -1.4 77 77 A P >> - 0 0 0 0, 0.0 4,-1.4 0, 0.0 3,-0.9 -0.255 38.5-104.7 -54.1 154.9 -5.0 -5.0 1.0 78 78 A G H 3> S+ 0 0 1 50,-0.4 4,-2.5 1,-0.2 5,-0.2 0.807 118.9 63.9 -52.3 -34.9 -8.2 -4.1 3.0 79 79 A V H 3> S+ 0 0 5 48,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.881 102.4 48.6 -62.2 -37.5 -8.7 -1.0 0.8 80 80 A Q H <> S+ 0 0 1 -3,-0.9 4,-0.6 47,-0.3 -1,-0.2 0.896 109.9 52.1 -67.9 -41.1 -9.2 -3.2 -2.3 81 81 A A H ><>S+ 0 0 0 -4,-1.4 3,-0.8 1,-0.2 5,-0.7 0.907 111.4 46.2 -60.8 -44.2 -11.7 -5.4 -0.4 82 82 A A H ><5S+ 0 0 0 -4,-2.5 3,-1.1 47,-0.3 -1,-0.2 0.829 103.5 64.5 -66.5 -32.0 -13.7 -2.3 0.7 83 83 A S H 3<5S+ 0 0 6 -4,-1.7 444,-1.8 1,-0.3 -1,-0.2 0.670 95.7 58.8 -66.2 -17.8 -13.5 -1.0 -2.9 84 84 A T T <<5S- 0 0 0 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.752 91.0-151.2 -75.6 -26.5 -15.6 -4.0 -4.0 85 85 A W T < 5 + 0 0 2 -3,-1.1 2,-0.6 -4,-0.5 -3,-0.1 0.807 52.5 135.4 53.7 31.5 -18.4 -2.9 -1.6 86 86 A D >< - 0 0 29 -5,-0.7 4,-2.3 1,-0.1 -1,-0.2 -0.888 43.2-169.5-117.8 99.5 -19.1 -6.6 -1.5 87 87 A V H > S+ 0 0 43 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.816 89.3 56.2 -56.3 -32.8 -19.8 -7.9 2.1 88 88 A N H > S+ 0 0 126 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.933 109.3 43.0 -67.2 -47.5 -19.6 -11.5 0.7 89 89 A L H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.871 114.2 53.4 -64.2 -37.3 -16.1 -11.1 -0.8 90 90 A I H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.920 110.8 44.5 -65.1 -45.6 -15.0 -9.3 2.4 91 91 A R H X S+ 0 0 70 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.918 112.6 52.5 -63.7 -44.1 -16.2 -12.1 4.7 92 92 A E H X S+ 0 0 62 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.896 104.6 55.5 -59.1 -43.9 -14.6 -14.7 2.4 93 93 A R H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.914 109.7 47.5 -52.9 -46.2 -11.3 -12.9 2.5 94 94 A G H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.920 112.5 48.4 -61.1 -47.0 -11.4 -13.1 6.3 95 95 A Q H X S+ 0 0 57 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.910 113.0 47.3 -59.0 -45.8 -12.3 -16.8 6.2 96 96 A F H X S+ 0 0 24 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.902 112.8 48.4 -67.4 -42.5 -9.5 -17.6 3.8 97 97 A I H X S+ 0 0 3 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.928 111.7 51.6 -58.6 -47.0 -7.0 -15.6 5.8 98 98 A G H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.915 107.6 52.0 -54.6 -47.9 -8.3 -17.5 8.9 99 99 A E H X S+ 0 0 71 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.898 112.4 44.5 -56.9 -45.1 -7.8 -20.9 7.2 100 100 A E H X S+ 0 0 1 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.866 112.0 52.4 -70.1 -38.5 -4.2 -20.1 6.2 101 101 A V H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 3,-0.4 0.941 114.2 41.5 -62.7 -50.0 -3.3 -18.7 9.7 102 102 A K H ><5S+ 0 0 68 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.920 111.7 55.8 -63.1 -45.3 -4.6 -21.8 11.5 103 103 A A H 3<5S+ 0 0 35 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.754 107.3 50.8 -60.2 -24.5 -3.1 -24.1 8.9 104 104 A S T 3<5S- 0 0 0 -4,-1.1 206,-2.8 -3,-0.4 -1,-0.3 0.422 119.6-113.2 -91.9 -1.9 0.3 -22.4 9.7 105 105 A G T < 5 + 0 0 2 -3,-2.1 2,-0.4 1,-0.3 204,-0.2 0.786 68.1 142.0 76.2 29.4 -0.3 -23.0 13.5 106 106 A I < - 0 0 0 -5,-2.3 -1,-0.3 202,-0.1 -47,-0.1 -0.877 35.8-165.3-101.2 134.4 -0.7 -19.3 14.4 107 107 A H S S+ 0 0 18 -49,-1.3 47,-2.9 -2,-0.4 2,-0.5 0.834 73.2 39.4 -85.4 -37.6 -3.2 -18.4 17.1 108 108 A V E -cd 59 154B 0 -50,-2.5 -48,-2.9 45,-0.2 2,-0.5 -0.967 61.9-160.4-125.5 124.6 -3.5 -14.7 16.6 109 109 A I E -cd 60 155B 1 45,-2.8 2,-1.8 -2,-0.5 47,-0.8 -0.894 24.7-130.1-100.6 130.4 -3.5 -12.7 13.3 110 110 A L + 0 0 0 -50,-2.5 -48,-0.4 -2,-0.5 45,-0.1 -0.522 61.8 66.5 -86.8 76.1 -2.6 -9.0 13.7 111 111 A G + 0 0 0 -2,-1.8 45,-2.6 -49,-0.2 -2,-0.2 -0.907 1.4 116.5 170.6 172.4 -5.5 -7.4 11.8 112 112 A P - 0 0 2 0, 0.0 46,-1.8 0, 0.0 2,-0.6 0.473 58.8-130.1 -81.6 176.4 -7.9 -6.2 10.4 113 113 A V B +f 158 0D 1 15,-0.6 46,-0.2 44,-0.2 17,-0.2 -0.848 42.2 154.2-107.3 118.0 -7.3 -2.5 10.4 114 114 A A + 0 0 2 44,-2.7 45,-0.3 -2,-0.6 -1,-0.1 0.491 59.7 88.6-107.5 -13.4 -9.8 0.1 11.6 115 115 A G S S+ 0 0 2 43,-1.6 -1,-0.3 1,-0.2 2,-0.2 -0.977 75.4 40.5-140.9 124.1 -7.2 2.7 12.6 116 116 A P S S- 0 0 2 0, 0.0 -1,-0.2 0, 0.0 13,-0.1 0.354 70.9-172.4 -67.1 145.9 -6.0 4.7 10.8 117 117 A L - 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