==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-NOV-05 2F6D . COMPND 2 MOLECULE: GLUCOAMYLASE GLU1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCOPSIS FIBULIGERA; . AUTHOR J.SEVCIK,E.HOSTINOVA,A.SOLOVICOVA,J.GASPERIK,Z.DAUTER,K.S.WI . 492 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), 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 . 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 . 23 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 41.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 1 1 0 2 0 1 0 1 0 0 0 0 0 2 2 2 2 1 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 3 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 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 A 0 0 67 0, 0.0 57,-2.3 0, 0.0 58,-1.1 0.000 360.0 360.0 360.0 154.5 5.4 5.4 9.9 2 2 A Y > + 0 0 92 55,-0.3 3,-1.6 56,-0.2 55,-0.2 -0.565 360.0 173.2-147.0 68.0 2.6 3.5 8.1 3 3 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 54,-0.1 0.767 75.4 52.3 -59.8 -32.7 -0.6 3.9 10.0 4 4 A S T 3 S+ 0 0 61 52,-0.4 2,-0.1 2,-0.1 53,-0.1 0.598 82.5 114.3 -80.9 -9.8 -3.0 2.2 7.6 5 5 A F < - 0 0 28 -3,-1.6 2,-0.5 51,-0.2 -3,-0.1 -0.386 48.5-163.7 -63.9 133.7 -0.9 -1.0 7.3 6 6 A E - 0 0 98 -2,-0.1 29,-0.1 26,-0.1 -2,-0.1 -0.974 13.6-136.7-120.1 117.8 -2.5 -4.2 8.8 7 7 A A - 0 0 51 -2,-0.5 445,-0.1 1,-0.1 444,-0.0 -0.319 8.9-160.4 -67.5 148.9 -0.3 -7.2 9.5 8 8 A Y + 0 0 89 443,-0.5 -1,-0.1 3,-0.1 444,-0.1 0.877 19.8 170.2 -88.0 -56.9 -1.3 -10.7 8.5 9 9 A S + 0 0 76 442,-0.8 443,-0.1 1,-0.1 442,-0.1 0.858 16.5 148.1 42.5 49.0 1.0 -12.6 10.9 10 10 A N + 0 0 74 441,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.341 65.3 25.6 -91.0 6.6 -0.7 -16.0 10.2 11 11 A Y S S- 0 0 41 439,-0.2 2,-0.7 440,-0.0 -1,-0.1 -0.971 78.7-112.1-159.2 156.4 2.6 -17.8 10.7 12 12 A K - 0 0 192 -2,-0.3 2,-0.2 -3,-0.1 439,-0.1 -0.840 42.1-121.8 -87.8 116.4 6.0 -17.6 12.4 13 13 A V - 0 0 14 -2,-0.7 2,-0.7 437,-0.5 437,-0.0 -0.403 21.7-157.6 -59.7 124.3 8.7 -17.2 9.7 14 14 A D > - 0 0 71 3,-0.2 3,-1.7 -2,-0.2 7,-0.2 -0.928 3.8-164.6-106.8 109.4 11.2 -20.1 9.9 15 15 A R T 3 S+ 0 0 72 -2,-0.7 3,-0.1 1,-0.3 -1,-0.1 0.466 86.7 59.0 -77.9 0.4 14.4 -18.9 8.2 16 16 A T T 3 S+ 0 0 122 1,-0.2 2,-0.3 429,-0.1 -1,-0.3 0.206 96.8 67.2-104.0 4.7 15.7 -22.4 8.1 17 17 A D <> + 0 0 53 -3,-1.7 4,-2.2 1,-0.1 -3,-0.2 -0.654 51.0 167.9-135.8 81.1 12.8 -23.7 6.0 18 18 A L H > S+ 0 0 25 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.878 77.2 55.8 -62.2 -42.2 12.7 -22.2 2.5 19 19 A E H > S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.937 112.3 41.8 -60.3 -46.6 10.0 -24.6 1.1 20 20 A T H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 112.5 55.3 -66.0 -42.5 7.5 -23.8 3.9 21 21 A F H X S+ 0 0 3 -4,-2.2 4,-2.9 -7,-0.2 -2,-0.2 0.919 109.1 46.3 -54.0 -49.7 8.3 -20.1 3.6 22 22 A L H X S+ 0 0 2 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.841 110.0 54.4 -70.1 -32.9 7.6 -20.0 -0.1 23 23 A D H < S+ 0 0 78 -4,-1.8 4,-0.4 -5,-0.2 -1,-0.2 0.929 114.5 40.9 -56.3 -48.2 4.3 -21.9 0.4 24 24 A K H >X S+ 0 0 88 -4,-2.3 4,-2.3 1,-0.2 3,-1.3 0.895 110.7 54.9 -73.2 -41.3 3.2 -19.4 3.0 25 25 A Q H 3X>S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.3 5,-0.5 0.749 90.7 74.2 -68.4 -22.3 4.4 -16.2 1.2 26 26 A K H 3<5S+ 0 0 92 -4,-1.1 -1,-0.3 -5,-0.2 4,-0.2 0.851 114.2 26.7 -53.4 -33.5 2.4 -17.2 -2.0 27 27 A E H <>5S+ 0 0 110 -3,-1.3 4,-2.3 -4,-0.4 -2,-0.2 0.790 121.3 52.9 -96.9 -38.1 -0.6 -16.2 0.1 28 28 A V H X5S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -3,-0.2 0.939 110.2 46.4 -70.9 -44.3 0.9 -13.6 2.5 29 29 A S H X5S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.841 110.8 54.5 -66.5 -31.6 2.6 -11.5 -0.2 30 30 A L H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.955 112.6 45.5 -66.1 -51.8 -0.1 -6.6 -2.4 34 34 A L H >< S+ 0 0 27 -4,-2.9 3,-1.8 1,-0.3 10,-0.3 0.833 102.3 66.6 -64.5 -29.6 -3.9 -6.4 -2.5 35 35 A Q H 3< S+ 0 0 10 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.777 99.0 52.5 -60.4 -28.7 -3.9 -4.4 0.7 36 36 A N T << S+ 0 0 1 -3,-1.2 17,-2.5 -4,-0.6 2,-0.5 0.328 94.8 84.3 -91.6 4.4 -2.3 -1.5 -1.2 37 37 A I B < S-A 52 0A 0 -3,-1.8 2,-0.5 15,-0.2 7,-0.5 -0.950 78.5-132.9-108.4 123.1 -5.0 -1.5 -3.9 38 38 A A + 0 0 0 13,-3.0 12,-3.0 -2,-0.5 7,-0.2 -0.639 45.5 140.0 -76.0 120.0 -8.2 0.4 -3.3 39 39 A Y > - 0 0 21 5,-1.0 3,-1.8 -2,-0.5 8,-0.1 -0.959 58.3-116.9-153.8 147.4 -11.3 -1.6 -4.1 40 40 A P T 3 S+ 0 0 63 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.822 114.3 48.5 -55.6 -34.3 -14.6 -1.9 -2.3 41 41 A E T 3 S+ 0 0 110 49,-0.1 2,-0.1 3,-0.1 4,-0.1 0.376 104.3 79.9 -86.7 1.4 -14.3 -5.6 -1.5 42 42 A G S < S- 0 0 11 -3,-1.8 3,-0.3 2,-0.2 -7,-0.1 -0.376 95.1-101.7 -99.4-178.7 -10.7 -5.2 -0.2 43 43 A Q S S+ 0 0 64 1,-0.2 2,-1.8 -2,-0.1 3,-0.2 0.872 118.4 63.6 -66.5 -37.4 -9.1 -4.0 3.0 44 44 A F > + 0 0 14 -7,-0.5 -5,-1.0 -10,-0.3 3,-0.6 -0.475 63.9 138.4 -87.0 62.8 -8.4 -0.6 1.4 45 45 A N T 3 + 0 0 105 -2,-1.8 -1,-0.2 -3,-0.3 -2,-0.1 0.452 58.6 65.3 -91.8 0.5 -12.1 0.1 1.0 46 46 A N T 3 S+ 0 0 139 -3,-0.2 -1,-0.2 2,-0.1 2,-0.2 0.406 87.5 82.2-101.9 -0.3 -11.8 3.7 2.0 47 47 A G S < S- 0 0 21 -3,-0.6 84,-0.1 -8,-0.1 3,-0.0 -0.564 98.7 -81.0 -95.9 168.4 -9.7 4.9 -1.0 48 48 A V > - 0 0 70 82,-0.4 3,-1.9 -2,-0.2 -10,-0.3 -0.535 62.6-105.6 -64.1 117.0 -10.7 5.9 -4.5 49 49 A P T 3 S+ 0 0 44 0, 0.0 -10,-0.2 0, 0.0 3,-0.1 -0.246 105.6 30.2 -52.5 136.0 -11.2 2.4 -6.2 50 50 A G T 3 S+ 0 0 1 -12,-3.0 2,-0.5 1,-0.3 -11,-0.1 0.297 86.0 129.2 96.5 -7.2 -8.3 1.7 -8.6 51 51 A T < - 0 0 1 -3,-1.9 -13,-3.0 -13,-0.2 2,-0.5 -0.718 40.9-163.8 -80.3 126.8 -5.7 3.7 -6.6 52 52 A V B -A 37 0A 1 -2,-0.5 2,-0.3 -15,-0.2 15,-0.3 -0.959 6.7-151.0-111.5 120.2 -2.6 1.7 -5.9 53 53 A I - 0 0 2 -17,-2.5 419,-0.2 -2,-0.5 13,-0.2 -0.703 13.4-139.4 -84.7 143.6 -0.3 3.1 -3.2 54 54 A A S S- 0 0 0 11,-1.8 418,-2.5 9,-0.8 419,-0.4 0.853 83.7 -18.4 -68.1 -29.9 3.4 2.3 -3.6 55 55 A S - 0 0 0 8,-0.9 -1,-0.3 10,-0.3 10,-0.2 -0.953 58.2-116.9-169.6 149.1 3.5 1.8 0.2 56 56 A P S S+ 0 0 0 0, 0.0 -52,-0.4 0, 0.0 2,-0.3 0.546 77.7 119.0 -69.2 -5.8 1.5 2.6 3.3 57 57 A S + 0 0 2 412,-0.5 6,-2.2 -55,-0.2 7,-0.5 -0.463 34.7 173.9 -65.6 121.7 4.5 4.7 4.6 58 58 A T B +B 62 0B 57 -57,-2.3 2,-0.3 -2,-0.3 4,-0.3 0.394 68.4 27.4-105.3 -6.3 3.4 8.3 5.0 59 59 A S S S+ 0 0 42 -58,-1.1 -1,-0.3 2,-0.7 3,-0.1 -0.962 104.0 39.8-152.6 144.3 6.7 9.4 6.5 60 60 A N S S+ 0 0 115 -2,-0.3 407,-0.2 -3,-0.1 2,-0.1 0.913 144.7 9.6 53.9 58.8 10.3 8.4 6.4 61 61 A P S S- 0 0 8 0, 0.0 2,-0.9 0, 0.0 -2,-0.7 0.649 89.6-147.6 -94.3 174.3 9.7 8.0 3.6 62 62 A D B +B 58 0B 67 -4,-0.3 -4,-0.2 1,-0.1 -2,-0.1 -0.846 34.5 153.0 -94.4 99.9 6.4 9.3 2.4 63 63 A Y + 0 0 28 -6,-2.2 2,-2.2 -2,-0.9 -8,-0.9 0.078 25.3 126.1-109.4 19.9 5.4 6.9 -0.4 64 64 A Y + 0 0 55 -7,-0.5 66,-0.5 -10,-0.2 2,-0.3 -0.477 50.4 94.2 -85.5 73.0 1.6 7.3 -0.0 65 65 A Y S S- 0 0 30 -2,-2.2 -11,-1.8 -10,-0.2 2,-0.6 -0.921 77.7-108.5-149.0 165.9 1.0 8.2 -3.7 66 66 A Q E -C 128 0C 5 62,-2.4 62,-2.2 -2,-0.3 2,-0.4 -0.935 29.3-164.6-107.8 114.1 0.1 6.3 -6.9 67 67 A W E > -C 127 0C 7 -2,-0.6 4,-2.6 -15,-0.3 5,-0.3 -0.823 21.0-137.1 -93.9 136.1 2.9 5.9 -9.4 68 68 A T H > S+ 0 0 8 58,-2.1 4,-2.0 -2,-0.4 5,-0.2 0.912 104.7 48.7 -59.5 -42.5 1.9 4.9 -12.9 69 69 A R H > S+ 0 0 9 57,-0.4 4,-2.5 2,-0.2 5,-0.3 0.964 113.0 44.0 -60.0 -58.2 4.8 2.4 -13.0 70 70 A D H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.894 113.4 52.4 -59.2 -39.9 4.2 0.7 -9.7 71 71 A S H X S+ 0 0 8 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.927 111.6 45.4 -63.2 -43.9 0.4 0.5 -10.3 72 72 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.920 114.1 47.4 -64.6 -45.1 0.9 -1.2 -13.7 73 73 A I H X S+ 0 0 4 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.895 110.6 54.1 -64.4 -40.1 3.5 -3.7 -12.4 74 74 A T H X S+ 0 0 1 -4,-2.6 4,-2.0 -5,-0.3 3,-0.4 0.928 108.7 48.9 -55.3 -47.7 1.2 -4.4 -9.5 75 75 A F H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.776 100.1 63.6 -71.4 -21.6 -1.6 -5.2 -11.9 76 76 A L H X S+ 0 0 8 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.893 107.3 45.5 -63.4 -37.7 0.6 -7.5 -14.0 77 77 A T H X S+ 0 0 4 -4,-1.4 4,-2.3 -3,-0.4 -2,-0.2 0.919 111.2 51.5 -67.5 -45.0 0.8 -9.6 -10.8 78 78 A V H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.921 110.5 50.1 -57.0 -41.7 -3.0 -9.3 -10.3 79 79 A L H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.900 107.2 52.7 -65.8 -42.0 -3.4 -10.4 -13.9 80 80 A S H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.905 112.9 45.9 -58.6 -41.4 -1.2 -13.4 -13.4 81 81 A E H X S+ 0 0 22 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.923 111.9 50.9 -64.6 -46.8 -3.4 -14.3 -10.4 82 82 A L H <>S+ 0 0 0 -4,-2.9 5,-3.0 2,-0.2 6,-0.3 0.908 112.3 47.3 -56.2 -43.9 -6.5 -13.7 -12.4 83 83 A E H ><5S+ 0 0 49 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.922 110.4 50.6 -66.6 -46.6 -5.2 -16.0 -15.2 84 84 A D H 3<5S+ 0 0 77 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.789 111.1 51.4 -60.8 -29.3 -4.2 -18.7 -12.8 85 85 A N T 3<5S- 0 0 76 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.165 115.7-114.1 -90.3 13.2 -7.7 -18.6 -11.3 86 86 A N T < 5S- 0 0 118 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.901 83.1 -38.6 46.5 46.7 -9.4 -18.9 -14.6 87 87 A F < - 0 0 14 -5,-3.0 2,-0.3 -8,-0.1 -4,-0.1 0.998 69.9-153.1 69.1 75.5 -10.8 -15.3 -14.2 88 88 A N > - 0 0 55 -6,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.579 10.3-141.3 -67.5 123.9 -11.8 -14.6 -10.6 89 89 A T H > S+ 0 0 79 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.860 97.8 57.0 -60.1 -39.9 -14.6 -11.9 -10.5 90 90 A T H > S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.939 112.2 40.7 -58.4 -47.7 -13.1 -10.2 -7.4 91 91 A L H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 111.8 56.2 -69.0 -39.7 -9.8 -9.6 -9.0 92 92 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.903 105.3 52.5 -60.3 -39.5 -11.4 -8.6 -12.3 93 93 A K H X S+ 0 0 63 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.920 108.1 51.5 -62.0 -40.8 -13.4 -5.9 -10.5 94 94 A A H X S+ 0 0 1 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.911 109.2 50.1 -61.5 -41.2 -10.1 -4.5 -9.1 95 95 A V H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.935 110.8 49.3 -63.3 -43.3 -8.6 -4.4 -12.6 96 96 A E H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.879 108.2 52.2 -69.9 -33.4 -11.6 -2.5 -14.0 97 97 A Y H X S+ 0 0 30 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.891 110.9 49.5 -63.2 -38.7 -11.5 -0.0 -11.1 98 98 A Y H X S+ 0 0 6 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.892 109.3 51.1 -66.1 -39.1 -7.8 0.5 -12.0 99 99 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.936 112.5 47.5 -63.0 -44.0 -8.6 0.9 -15.6 100 100 A N H X S+ 0 0 9 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.926 112.1 47.3 -65.6 -44.5 -11.3 3.5 -14.7 101 101 A T H X S+ 0 0 8 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.904 109.4 55.3 -64.5 -35.6 -9.0 5.4 -12.4 102 102 A S H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.898 104.6 54.2 -60.5 -42.1 -6.3 5.3 -15.1 103 103 A Y H X S+ 0 0 52 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.945 111.0 45.8 -53.4 -48.5 -8.8 6.9 -17.5 104 104 A N H < S+ 0 0 70 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.893 112.3 49.4 -65.4 -40.9 -9.3 9.7 -14.9 105 105 A L H >< S+ 0 0 12 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.902 105.9 57.2 -65.8 -41.3 -5.5 10.2 -14.3 106 106 A Q H 3< S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.865 109.0 47.2 -55.1 -37.7 -4.9 10.4 -18.1 107 107 A R T 3< S+ 0 0 68 -4,-1.4 2,-0.6 -5,-0.2 -1,-0.3 0.323 90.1 102.2 -89.9 9.6 -7.3 13.3 -18.2 108 108 A T S < S- 0 0 39 -3,-1.8 2,-0.1 -5,-0.1 5,-0.1 -0.838 71.4-133.1 -99.7 117.8 -5.8 15.1 -15.2 109 109 A S + 0 0 80 -2,-0.6 25,-0.2 5,-0.1 5,-0.2 -0.411 38.1 161.7 -67.5 143.5 -3.6 18.0 -16.2 110 110 A N B > -E 113 0D 20 3,-2.5 3,-1.5 -2,-0.1 26,-0.1 -0.871 55.6 -73.9-154.3 176.2 -0.3 18.0 -14.3 111 111 A P T 3 S+ 0 0 64 0, 0.0 3,-0.1 0, 0.0 25,-0.1 0.746 127.5 55.5 -60.6 -20.8 3.2 19.5 -14.4 112 112 A S T 3 S- 0 0 14 1,-0.3 2,-0.3 10,-0.2 11,-0.1 0.697 121.7 -97.9 -78.6 -20.6 4.2 17.2 -17.3 113 113 A G B < -E 110 0D 14 -3,-1.5 -3,-2.5 9,-0.2 -1,-0.3 -0.955 41.1 -69.3 138.9-156.3 1.2 18.4 -19.4 114 114 A S > - 0 0 12 -2,-0.3 8,-1.9 -5,-0.2 3,-0.8 -0.800 36.3-104.1-136.1 171.4 -2.3 17.5 -20.3 115 115 A F T 3 S+ 0 0 52 -2,-0.3 5,-0.4 1,-0.2 6,-0.1 0.845 118.2 54.6 -66.8 -33.6 -4.3 15.1 -22.3 116 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