==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-NOV-10 3PN8 . COMPND 2 MOLECULE: PUTATIVE PHOSPHO-BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR K.TAN,H.LI,J.BEARDEN,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTU . 955 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 702 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 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 . 84 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.8 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 4 0 0 4 0 2 2 2 0 0 2 2 2 2 0 2 0 0 0 2 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 6 4 4 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 . 12 3 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 4 0 0 0 0 0 0 2 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 0 A A 0 0 154 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 75.4 -16.2 18.7 33.7 2 1 A X - 0 0 154 1,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.540 360.0-114.4 -91.5 159.8 -12.7 17.5 34.4 3 2 A S - 0 0 20 2,-0.3 4,-0.1 -2,-0.2 -1,-0.1 -0.375 29.5-107.1 -83.6 170.9 -11.3 14.0 33.8 4 3 A K S S+ 0 0 114 470,-0.1 -1,-0.1 -2,-0.1 471,-0.1 0.803 105.1 60.4 -71.4 -28.0 -10.2 11.7 36.5 5 4 A L S S- 0 0 4 469,-0.4 -2,-0.3 1,-0.1 471,-0.0 -0.681 101.3 -95.2 -94.1 156.1 -6.5 12.3 35.5 6 5 A P > - 0 0 56 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.363 31.9-118.5 -64.7 149.4 -4.8 15.7 35.6 7 6 A E T 3 S+ 0 0 127 1,-0.3 467,-0.0 -4,-0.1 -2,-0.0 0.817 114.4 52.4 -57.7 -35.0 -4.8 17.6 32.2 8 7 A N T 3 S+ 0 0 135 2,-0.1 -1,-0.3 412,-0.0 75,-0.0 0.188 77.4 147.8 -89.1 17.4 -1.0 17.6 32.1 9 8 A F < - 0 0 2 -3,-1.7 2,-1.6 1,-0.1 411,-0.2 -0.285 53.9-121.2 -55.7 133.7 -0.8 13.8 32.6 10 9 A L E +a 420 0A 18 409,-2.6 411,-1.9 73,-0.1 2,-0.3 -0.540 37.5 176.6 -88.5 79.7 2.2 12.4 30.8 11 10 A W E +a 421 0A 0 -2,-1.6 72,-2.8 409,-0.2 73,-1.3 -0.596 25.9 116.0 -72.7 138.2 0.9 9.9 28.3 12 11 A G E -b 84 0A 0 409,-2.1 2,-0.3 -2,-0.3 73,-0.2 -0.781 55.1 -93.3-166.3-145.6 3.6 8.5 26.1 13 12 A G E -b 85 0A 0 71,-0.6 73,-2.9 409,-0.3 2,-0.4 -0.971 27.5-139.6-153.3 155.5 5.5 5.5 25.0 14 13 A A E +bc 86 424A 0 409,-2.7 411,-2.2 -2,-0.3 412,-0.8 -0.953 25.1 151.6-129.8 142.4 8.8 3.9 26.2 15 14 A V - 0 0 0 71,-2.7 2,-0.3 -2,-0.4 3,-0.1 -0.826 32.6-124.0-143.4-177.6 11.8 2.2 24.5 16 15 A A >> - 0 0 0 -2,-0.2 3,-1.0 71,-0.2 4,-0.9 -0.995 23.2-121.1-135.8 142.8 15.5 1.7 25.2 17 16 A A H >> S+ 0 0 0 -2,-0.3 4,-2.9 1,-0.3 3,-1.3 0.879 109.3 48.0 -44.7 -57.6 18.4 2.7 22.8 18 17 A H H 34 S+ 0 0 18 113,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.774 108.8 56.7 -63.8 -24.9 20.0 -0.8 22.4 19 18 A Q H <4 S+ 0 0 3 -3,-1.0 411,-2.3 1,-0.1 -1,-0.3 0.720 127.6 8.1 -80.3 -18.9 16.6 -2.3 21.7 20 19 A L H << S+ 0 0 0 -3,-1.3 46,-2.2 -4,-0.9 44,-0.9 0.646 107.7 76.2-132.1 -27.3 15.6 -0.1 18.7 21 20 A E < + 0 0 2 -4,-2.9 46,-2.4 -5,-0.3 47,-0.4 0.888 57.2 179.2 -63.0 -44.9 18.5 2.2 17.5 22 21 A G + 0 0 4 -5,-0.4 40,-0.2 38,-0.4 -1,-0.1 -0.438 44.1 109.9 63.4-151.9 20.7 -0.1 15.6 23 22 A G > + 0 0 6 38,-0.2 3,-1.3 1,-0.1 6,-0.2 0.910 46.3 174.6 50.9 46.1 23.7 1.7 14.1 24 23 A W T 3 S+ 0 0 33 37,-1.4 -1,-0.1 1,-0.3 8,-0.1 0.578 75.1 27.7 -67.0 -13.5 25.7 -0.2 16.7 25 24 A Q T > S+ 0 0 126 36,-0.2 3,-1.0 6,-0.1 -1,-0.3 0.274 93.6 123.6-126.3 7.5 29.1 1.1 15.4 26 25 A E G X S+ 0 0 90 -3,-1.3 3,-1.5 1,-0.2 -4,-0.0 -0.416 76.5 11.2 -72.1 143.2 27.9 4.4 13.9 27 26 A G G 3 S- 0 0 33 1,-0.3 80,-0.3 -2,-0.1 -1,-0.2 0.723 132.7 -63.3 63.2 23.7 29.5 7.7 15.1 28 27 A G G < S+ 0 0 48 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.678 83.1 172.3 74.7 18.5 32.2 5.7 16.9 29 28 A K < - 0 0 23 -3,-1.5 64,-0.2 -6,-0.2 -1,-0.2 -0.342 26.4-128.3 -59.2 138.9 29.7 4.1 19.3 30 29 A G - 0 0 12 62,-2.1 2,-0.3 1,-0.1 62,-0.1 -0.390 28.0 -84.5 -88.3 166.9 31.4 1.4 21.4 31 30 A I - 0 0 69 -2,-0.1 105,-2.5 -6,-0.1 106,-0.6 -0.554 49.1-163.4 -71.8 128.8 30.4 -2.2 21.9 32 31 A S B > -J 135 0B 1 -2,-0.3 3,-1.1 103,-0.3 4,-0.3 -0.568 36.5-100.3-106.4 172.6 27.9 -2.5 24.7 33 32 A V G > S+ 0 0 0 101,-2.0 3,-1.1 1,-0.3 100,-0.1 0.836 124.6 58.1 -61.3 -29.8 26.7 -5.5 26.7 34 33 A A G > S+ 0 0 2 1,-0.2 3,-1.0 100,-0.2 26,-0.4 0.763 96.0 64.3 -70.0 -22.4 23.7 -5.7 24.4 35 34 A D G < S+ 0 0 3 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.535 102.1 48.2 -81.3 -6.5 26.0 -6.1 21.5 36 35 A V G < S+ 0 0 0 -3,-1.1 13,-2.3 -4,-0.3 2,-0.6 0.042 88.2 99.9-119.7 24.2 27.4 -9.4 22.7 37 36 A X B < -K 48 0C 6 -3,-1.0 23,-0.4 11,-0.2 11,-0.2 -0.946 62.3-146.9-114.8 116.5 24.0 -11.1 23.4 38 37 A T - 0 0 12 9,-2.6 20,-0.2 -2,-0.6 2,-0.1 -0.229 29.5 -87.4 -75.6 166.8 22.7 -13.5 20.8 39 38 A A + 0 0 30 18,-1.4 8,-0.3 7,-0.1 396,-0.2 -0.424 49.9 167.9 -73.8 148.4 19.0 -14.0 20.0 40 39 A G - 0 0 11 394,-3.1 2,-0.3 6,-0.1 5,-0.2 -0.464 18.6-142.0-131.5-154.2 17.0 -16.5 21.9 41 40 A R B > -L 44 0D 122 3,-1.6 3,-1.9 -2,-0.2 2,-0.3 -0.938 50.0 -47.0-163.7-178.9 13.3 -17.4 22.3 42 41 A H T 3 S+ 0 0 82 -2,-0.3 3,-0.1 1,-0.3 392,-0.0 -0.432 130.3 15.1 -63.0 116.8 10.9 -18.5 25.0 43 42 A G T 3 S+ 0 0 86 -2,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.068 112.1 83.2 107.8 -24.2 12.7 -21.3 26.8 44 43 A V B < S-L 41 0D 75 -3,-1.9 -3,-1.6 390,-0.0 -1,-0.1 -0.958 73.4-132.4-119.4 122.8 16.2 -20.7 25.5 45 44 A A - 0 0 83 -2,-0.5 2,-0.2 -5,-0.2 389,-0.1 -0.253 27.1-103.9 -65.4 150.5 18.5 -18.1 27.1 46 45 A R - 0 0 23 387,-0.5 2,-0.5 -6,-0.1 -7,-0.1 -0.510 38.9-117.2 -66.9 142.5 20.4 -15.6 25.0 47 46 A E - 0 0 84 -8,-0.3 -9,-2.6 -2,-0.2 2,-0.9 -0.751 17.5-149.0 -85.6 128.5 24.1 -16.5 24.7 48 47 A I B -K 37 0C 54 -2,-0.5 -11,-0.2 -11,-0.2 2,-0.1 -0.844 22.9-162.3 -97.0 101.2 26.4 -13.9 26.3 49 48 A T - 0 0 5 -13,-2.3 3,-0.1 -2,-0.9 -13,-0.0 -0.416 30.9-114.7 -86.9 159.9 29.5 -14.2 24.2 50 49 A A S S- 0 0 91 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.137 92.0 -34.2 -78.5 23.2 33.0 -13.0 25.1 51 50 A G S S- 0 0 14 -15,-0.2 2,-0.9 -18,-0.1 -2,-0.1 -0.898 98.3 -38.0 148.4-176.3 32.7 -10.5 22.2 52 51 A V - 0 0 56 -2,-0.3 2,-0.1 -3,-0.1 -16,-0.1 -0.695 65.6-162.4 -83.8 106.7 31.2 -10.1 18.8 53 52 A L - 0 0 79 -2,-0.9 3,-0.5 1,-0.1 -4,-0.0 -0.454 24.2-128.4 -93.5 162.5 31.6 -13.5 17.1 54 53 A E S S+ 0 0 113 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.822 105.3 43.8 -77.8 -33.9 31.5 -14.5 13.4 55 54 A G S S+ 0 0 80 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.280 99.2 90.3 -98.0 11.0 29.0 -17.4 13.7 56 55 A K - 0 0 84 -3,-0.5 2,-0.6 -18,-0.0 -4,-0.0 -0.762 68.5-130.7-112.7 152.3 26.6 -15.7 16.1 57 56 A Y - 0 0 89 -2,-0.3 -18,-1.4 -18,-0.1 -2,-0.1 -0.905 17.5-172.8-106.0 123.0 23.5 -13.6 15.5 58 57 A Y > - 0 0 12 -2,-0.6 3,-1.6 -20,-0.2 4,-0.5 -0.876 3.9-172.5-116.4 96.7 23.2 -10.3 17.4 59 58 A P T 3> S+ 0 0 4 0, 0.0 4,-2.2 0, 0.0 3,-0.4 0.717 80.4 63.4 -65.1 -23.4 19.8 -8.7 16.9 60 59 A N T 34 S+ 0 0 4 -23,-0.4 -38,-0.4 -26,-0.4 -25,-0.1 0.613 83.9 76.7 -77.7 -11.9 20.7 -5.5 18.6 61 60 A H T <4 S+ 0 0 24 -3,-1.6 -37,-1.4 1,-0.1 -38,-0.2 0.945 120.7 7.2 -62.1 -43.6 23.3 -4.6 16.1 62 61 A E T >4 S+ 0 0 101 -4,-0.5 3,-1.8 -3,-0.4 -2,-0.2 0.719 84.7 161.3-107.6 -31.5 20.7 -3.5 13.6 63 62 A A T 3< S- 0 0 0 -4,-2.2 -43,-0.2 1,-0.3 -42,-0.1 -0.138 78.9 -37.5 40.6-126.1 17.4 -3.7 15.6 64 63 A I T 3 S- 0 0 0 -44,-0.9 -1,-0.3 -4,-0.1 -43,-0.1 0.284 79.3-114.9-110.3 10.9 14.9 -1.6 13.7 65 64 A D X> + 0 0 25 -3,-1.8 4,-1.8 -45,-0.2 3,-1.5 0.808 58.3 154.9 63.1 35.2 17.3 1.1 12.6 66 65 A F H 3> + 0 0 0 -46,-2.2 4,-1.9 1,-0.3 -45,-0.2 0.789 64.9 73.9 -59.6 -29.1 15.7 3.9 14.6 67 66 A Y H 34 S+ 0 0 47 -46,-2.4 -1,-0.3 -47,-0.3 -45,-0.1 0.842 111.2 26.5 -53.2 -34.1 19.1 5.6 14.5 68 67 A H H <4 S+ 0 0 101 -3,-1.5 3,-0.2 -47,-0.4 -2,-0.2 0.701 128.5 42.2-101.7 -26.2 18.3 6.4 10.9 69 68 A H H >X S+ 0 0 72 -4,-1.8 4,-2.2 -48,-0.2 3,-1.2 0.387 75.4 112.9-103.3 3.3 14.5 6.5 10.9 70 69 A Y H 3X S+ 0 0 23 -4,-1.9 4,-3.0 1,-0.3 5,-0.3 0.773 73.1 58.4 -52.9 -32.6 13.9 8.4 14.1 71 70 A K H 3> S+ 0 0 112 -3,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.928 112.0 41.0 -64.0 -40.5 12.5 11.5 12.3 72 71 A E H <> S+ 0 0 125 -3,-1.2 4,-1.4 2,-0.2 -2,-0.2 0.882 116.1 49.8 -72.7 -39.4 9.8 9.3 10.7 73 72 A D H X S+ 0 0 2 -4,-2.2 4,-1.6 2,-0.2 3,-0.2 0.921 109.1 50.9 -65.4 -44.2 9.2 7.3 13.9 74 73 A V H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.876 103.9 59.5 -62.4 -34.6 8.8 10.4 16.1 75 74 A K H X S+ 0 0 112 -4,-1.3 4,-1.8 -5,-0.3 -1,-0.2 0.903 104.6 50.6 -59.4 -39.9 6.3 11.7 13.5 76 75 A L H X S+ 0 0 30 -4,-1.4 4,-1.6 -3,-0.2 -1,-0.2 0.846 106.2 53.8 -65.3 -36.5 4.2 8.6 14.3 77 76 A F H X>S+ 0 0 0 -4,-1.6 5,-2.5 1,-0.2 4,-0.6 0.882 109.7 49.5 -64.6 -34.7 4.5 9.3 18.1 78 77 A A H <5S+ 0 0 29 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.839 103.5 58.4 -73.0 -36.1 3.1 12.7 17.4 79 78 A E H <5S+ 0 0 100 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.887 109.2 45.0 -59.5 -40.5 0.3 11.4 15.3 80 79 A X H <5S- 0 0 3 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.672 119.5-120.2 -74.6 -17.9 -0.8 9.4 18.4 81 80 A G T <5 - 0 0 27 -4,-0.6 -3,-0.2 -5,-0.2 -70,-0.1 0.774 36.2-168.9 85.5 30.0 -0.2 12.6 20.3 82 81 A F < - 0 0 5 -5,-2.5 -70,-0.2 1,-0.2 -1,-0.1 -0.187 16.1-161.2 -46.7 137.8 2.4 11.5 22.8 83 82 A K S S+ 0 0 98 -72,-2.8 41,-2.4 1,-0.2 2,-0.3 0.618 78.9 8.8 -90.6 -21.6 3.0 14.0 25.6 84 83 A C E -bd 12 124A 0 -73,-1.3 -71,-0.6 39,-0.3 2,-0.4 -0.959 62.8-147.5-152.2 165.0 6.3 12.4 26.3 85 84 A F E -bd 13 125A 3 39,-2.1 41,-2.4 -2,-0.3 2,-0.6 -0.963 14.1-151.2-142.7 121.6 8.7 9.8 25.0 86 85 A R E +bd 14 126A 0 -73,-2.9 -71,-2.7 -2,-0.4 2,-0.3 -0.826 32.0 137.6 -99.9 125.3 10.9 7.6 27.1 87 86 A T E - d 0 127A 2 39,-2.4 41,-2.3 -2,-0.6 2,-0.3 -0.871 43.6-108.0-145.2-178.2 14.2 6.3 25.9 88 87 A S E - d 0 128A 0 -2,-0.3 2,-0.7 39,-0.2 41,-0.2 -0.827 22.3-122.1-111.1 155.0 17.7 5.8 27.1 89 88 A I - 0 0 0 39,-1.6 2,-0.6 -2,-0.3 42,-0.2 -0.889 38.0-118.9 -90.9 118.6 20.9 7.6 26.3 90 89 A A >> - 0 0 2 -2,-0.7 3,-2.0 1,-0.2 4,-1.1 -0.440 17.6-152.2 -63.4 109.7 23.2 4.9 25.0 91 90 A W H >> S+ 0 0 0 -2,-0.6 4,-3.3 1,-0.3 3,-1.0 0.903 94.3 57.0 -45.5 -44.9 26.1 5.0 27.4 92 91 A T H 34 S+ 0 0 1 41,-0.6 -62,-2.1 1,-0.3 -1,-0.3 0.607 99.1 58.5 -71.7 -12.4 28.4 3.7 24.6 93 92 A R H <4 S+ 0 0 6 -3,-2.0 14,-0.5 -64,-0.2 -1,-0.3 0.759 116.9 33.4 -82.2 -26.9 27.5 6.6 22.2 94 93 A I H << S+ 0 0 0 -4,-1.1 10,-1.9 -3,-1.0 -2,-0.2 0.827 139.7 17.1 -94.1 -40.8 28.8 9.1 24.8 95 94 A F < - 0 0 0 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 -0.735 67.4-173.6-134.4 85.7 31.6 6.9 26.2 96 95 A P S S+ 0 0 23 0, 0.0 41,-0.4 0, 0.0 40,-0.2 0.829 93.3 20.9 -46.3 -43.9 32.4 4.0 23.9 97 96 A K S S- 0 0 110 40,-0.1 41,-0.3 -67,-0.1 -5,-0.1 0.761 101.5-130.4 -96.3 -33.2 34.8 2.5 26.4 98 97 A G S S+ 0 0 1 -7,-0.1 59,-0.1 39,-0.1 -6,-0.0 0.028 92.2 72.4 106.8 -24.4 33.4 4.2 29.5 99 98 A D + 0 0 53 3,-0.0 2,-0.1 -4,-0.0 -4,-0.0 0.204 64.3 128.7-110.7 17.3 36.7 5.4 30.9 100 99 A E - 0 0 46 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.363 58.5-135.9 -71.2 151.5 37.5 8.3 28.4 101 100 A A S S+ 0 0 76 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 0.830 89.8 40.3 -74.1 -33.4 38.4 11.7 29.7 102 101 A E S S- 0 0 143 1,-0.0 -1,-0.1 -8,-0.0 -2,-0.1 -0.895 85.5-116.8-120.9 148.0 36.1 13.4 27.2 103 102 A P - 0 0 44 0, 0.0 2,-0.7 0, 0.0 -8,-0.2 -0.252 35.6 -98.9 -75.7 167.8 32.7 12.5 25.8 104 103 A N > - 0 0 40 -10,-1.9 4,-2.1 1,-0.2 3,-0.3 -0.803 25.7-158.3 -93.8 113.9 31.9 11.6 22.2 105 104 A E H > S+ 0 0 99 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.852 91.2 56.5 -63.8 -37.8 30.5 14.6 20.3 106 105 A A H > S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 110.0 47.6 -57.8 -42.0 28.8 12.5 17.6 107 106 A G H > S+ 0 0 3 -14,-0.5 4,-1.4 -3,-0.3 -2,-0.2 0.910 112.8 46.7 -65.3 -44.6 27.0 10.7 20.4 108 107 A L H X S+ 0 0 6 -4,-2.1 4,-1.8 -15,-0.2 -2,-0.2 0.861 111.1 53.2 -66.8 -34.2 25.9 13.9 22.1 109 108 A Q H X S+ 0 0 76 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.872 102.4 58.3 -69.2 -36.6 24.8 15.4 18.8 110 109 A F H X S+ 0 0 11 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.931 109.4 43.3 -59.2 -45.8 22.6 12.4 18.0 111 110 A Y H X S+ 0 0 0 -4,-1.4 4,-3.4 2,-0.2 5,-0.3 0.856 109.9 56.1 -72.5 -32.3 20.6 12.9 21.2 112 111 A D H X S+ 0 0 14 -4,-1.8 4,-2.4 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