==== 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 30-NOV-05 2D81 . COMPND 2 MOLECULE: PHB DEPOLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PENICILLIUM FUNICULOSUM; . AUTHOR T.HISANO,K.KASUYA,T.SAITO,T.IWATA,K.MIKI . 318 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 25 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 18.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 2 0 0 0 0 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 2 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 PARALLEL BRIDGES PER LADDER . 1 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 21 A T 0 0 130 0, 0.0 191,-2.8 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 137.4 42.1 10.3 26.1 2 22 A A - 0 0 80 189,-0.2 191,-0.1 1,-0.1 188,-0.1 -0.542 360.0-104.7 -81.7 150.5 39.8 12.9 24.7 3 23 A L - 0 0 4 189,-0.3 -1,-0.1 -2,-0.2 188,-0.1 -0.655 43.4-131.7 -74.2 120.9 37.5 12.2 21.8 4 24 A P - 0 0 47 0, 0.0 2,-0.4 0, 0.0 312,-0.1 -0.285 5.6-122.5 -71.5 155.5 38.9 13.9 18.7 5 25 A A - 0 0 47 310,-0.1 2,-0.3 309,-0.1 308,-0.2 -0.843 35.6-169.9 -89.8 135.9 37.1 16.1 16.1 6 26 A F - 0 0 23 307,-2.6 2,-2.0 -2,-0.4 310,-0.9 -0.792 37.3 -96.1-122.8 167.4 37.5 14.7 12.6 7 27 A N + 0 0 11 207,-0.4 214,-3.0 -2,-0.3 2,-0.5 -0.575 68.6 147.1 -83.0 77.9 36.7 15.9 9.1 8 28 A V E -a 221 0A 0 -2,-2.0 309,-0.3 305,-0.4 214,-0.2 -0.964 51.2-123.1-118.5 129.2 33.4 14.2 8.9 9 29 A N E > - 0 0 36 212,-1.6 3,-1.9 -2,-0.5 214,-0.2 -0.557 14.5-141.9 -70.4 125.4 30.4 15.6 7.0 10 30 A P E > S+ 0 0 53 0, 0.0 3,-0.6 0, 0.0 27,-0.4 0.703 100.3 62.8 -60.3 -18.1 27.4 15.9 9.5 11 31 A N E 3 S+ 0 0 95 1,-0.2 -2,-0.1 25,-0.1 211,-0.1 0.253 93.5 63.8 -90.9 13.3 25.1 14.8 6.7 12 32 A S E < S+ 0 0 14 -3,-1.9 211,-1.3 209,-0.1 2,-0.3 0.082 73.7 124.4-122.9 21.7 26.8 11.4 6.5 13 33 A V E < +a 223 0A 2 -3,-0.6 25,-2.1 22,-0.3 26,-0.7 -0.659 25.8 154.0 -94.8 139.3 26.0 10.0 9.9 14 34 A S E -ab 224 39A 0 209,-1.9 211,-2.3 -2,-0.3 2,-0.3 -0.911 21.4-149.3-149.8 175.4 24.2 6.7 10.6 15 35 A V E +ab 225 40A 0 24,-1.0 26,-2.4 -2,-0.3 2,-0.3 -0.996 13.0 171.2-151.8 148.3 23.9 4.0 13.2 16 36 A S E +ab 226 41A 0 209,-2.8 211,-2.6 -2,-0.3 2,-0.3 -0.953 7.5 167.5-148.0 170.0 23.2 0.3 13.7 17 37 A G E -ab 227 42A 0 24,-0.8 26,-2.7 -2,-0.3 2,-0.4 -0.984 31.0-102.0-174.5 168.5 23.3 -2.3 16.4 18 38 A L E > S- b 0 43A 2 209,-2.0 3,-2.8 -2,-0.3 2,-0.2 -0.888 73.5 -43.7-107.8 132.0 22.4 -5.8 17.6 19 39 A A T 3> S+ 0 0 9 24,-3.0 4,-3.1 -2,-0.4 27,-0.3 -0.308 140.0 12.2 61.2-115.4 19.6 -6.8 19.9 20 40 A S H 3> S+ 0 0 5 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.865 136.3 51.6 -61.3 -31.3 19.4 -4.2 22.7 21 41 A G H <> S+ 0 0 0 -3,-2.8 4,-2.0 2,-0.2 -2,-0.3 0.776 108.0 51.0 -72.3 -27.4 21.9 -2.3 20.5 22 42 A G H > S+ 0 0 0 21,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.899 109.2 49.5 -73.7 -43.5 19.4 -2.7 17.7 23 43 A Y H X S+ 0 0 5 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.951 114.0 46.9 -54.5 -49.8 16.6 -1.4 19.8 24 44 A M H X S+ 0 0 1 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.882 107.1 56.6 -62.3 -39.9 18.9 1.5 20.7 25 45 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.928 110.1 45.2 -57.9 -44.7 19.9 2.1 17.1 26 46 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 5,-0.3 0.872 110.1 54.9 -66.3 -36.7 16.2 2.5 16.2 27 47 A Q H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.4 0.932 113.8 41.1 -61.5 -44.5 15.7 4.7 19.2 28 48 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 8,-0.3 0.905 112.0 55.5 -65.9 -43.3 18.5 7.0 17.9 29 49 A G H < S+ 0 0 0 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.779 120.0 32.2 -62.8 -27.1 17.3 6.7 14.3 30 50 A V H >< S+ 0 0 2 -4,-1.8 3,-1.4 -5,-0.2 53,-0.4 0.904 122.9 40.8 -92.1 -58.6 13.9 8.0 15.4 31 51 A A H 3< S+ 0 0 0 -4,-2.7 52,-1.7 1,-0.3 -3,-0.2 0.859 132.2 28.0 -64.6 -36.0 14.4 10.4 18.3 32 52 A Y T >X S+ 0 0 25 -4,-1.9 4,-2.5 -5,-0.4 3,-1.3 -0.264 73.9 141.1-117.2 45.1 17.5 11.9 16.6 33 53 A S T <4 S+ 0 0 0 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.758 72.8 60.5 -58.3 -22.6 16.6 11.3 13.0 34 54 A D T 34 S+ 0 0 80 -3,-0.2 3,-0.3 -4,-0.2 -1,-0.3 0.814 108.8 41.1 -73.1 -31.3 18.1 14.7 12.3 35 55 A V T <4 S+ 0 0 12 -3,-1.3 2,-1.4 1,-0.2 -22,-0.3 0.900 115.9 48.5 -81.7 -46.0 21.5 13.6 13.6 36 56 A F S < S+ 0 0 0 -4,-2.5 -1,-0.2 -8,-0.3 -21,-0.1 -0.558 76.7 157.8 -92.6 71.5 21.4 10.2 11.9 37 57 A N + 0 0 40 -2,-1.4 -1,-0.2 -27,-0.4 -23,-0.2 0.557 60.7 53.5 -86.7 -10.9 20.4 11.7 8.6 38 58 A V S S- 0 0 31 -25,-2.1 54,-2.7 1,-0.3 2,-0.3 0.870 114.1-101.8 -84.4 -42.5 21.5 9.0 6.2 39 59 A G E -bc 14 92A 0 -26,-0.7 -24,-1.0 52,-0.3 -1,-0.3 -0.974 31.3-103.0 153.3-165.0 19.6 6.2 8.0 40 60 A F E -bc 15 93A 0 52,-1.6 54,-2.4 -2,-0.3 2,-0.4 -0.974 11.8-137.6-153.7 165.9 20.0 3.3 10.4 41 61 A G E -bc 16 94A 0 -26,-2.4 -24,-0.8 -2,-0.3 2,-0.5 -0.977 9.1-161.7-131.1 144.0 20.2 -0.5 10.7 42 62 A V E -bc 17 95A 0 52,-2.4 54,-2.4 -2,-0.4 2,-0.7 -0.975 1.0-166.1-129.9 119.0 18.7 -2.9 13.2 43 63 A F E S-bc 18 96A 0 -26,-2.7 -24,-3.0 -2,-0.5 -21,-0.3 -0.915 77.9 -27.4-102.5 111.0 19.9 -6.5 13.7 44 64 A A S S+ 0 0 0 52,-2.8 -22,-0.2 -2,-0.7 -1,-0.2 0.897 105.5 121.3 54.5 47.8 17.5 -8.6 15.8 45 65 A G - 0 0 0 51,-0.3 67,-0.2 -23,-0.2 -1,-0.1 -0.177 47.3-133.8-112.1-146.8 15.9 -5.6 17.6 46 66 A G - 0 0 0 -27,-0.3 63,-0.1 -2,-0.1 -20,-0.1 -0.914 35.4 -29.3-160.2-175.6 12.4 -4.4 17.8 47 67 A P > - 0 0 1 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.044 62.5-102.5 -47.9 137.6 9.8 -1.5 17.7 48 68 A Y T 3 S+ 0 0 0 1,-0.3 26,-0.1 64,-0.1 -24,-0.1 -0.486 110.6 6.7 -55.5 125.2 10.6 2.0 18.8 49 69 A D T > S+ 0 0 0 -2,-0.2 3,-1.5 -26,-0.1 4,-0.5 0.672 87.9 147.8 72.1 20.0 9.1 2.5 22.3 50 70 A a T < + 0 0 3 -3,-1.9 3,-0.4 1,-0.3 4,-0.3 0.876 67.4 42.6 -53.1 -44.1 8.2 -1.2 22.4 51 71 A A T 3 S+ 0 0 2 236,-0.5 -1,-0.3 -4,-0.2 223,-0.3 0.278 88.5 89.2 -95.7 11.4 8.6 -1.7 26.1 52 72 A R S < S+ 0 0 38 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.911 105.2 15.5 -76.0 -40.8 7.0 1.5 27.4 53 73 A N S S+ 0 0 104 -4,-0.5 2,-0.3 -3,-0.4 -1,-0.2 0.266 126.2 48.5-123.5 10.1 3.4 0.3 27.7 54 74 A Q S S- 0 0 39 -4,-0.3 220,-0.1 220,-0.1 5,-0.1 -0.976 99.7 -85.9-141.8 153.7 3.8 -3.5 27.6 55 75 A Y > - 0 0 77 -2,-0.3 3,-2.0 1,-0.1 4,-0.4 -0.260 38.2-121.0 -65.0 145.3 6.2 -5.7 29.5 56 76 A Y G > S+ 0 0 47 218,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.778 109.3 63.6 -63.0 -28.0 9.6 -5.9 27.8 57 77 A T G > S+ 0 0 47 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.743 93.2 64.0 -68.3 -20.5 9.4 -9.8 27.5 58 78 A S G < S+ 0 0 56 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.637 98.3 56.1 -72.2 -14.6 6.4 -9.2 25.2 59 79 A a G < S+ 0 0 0 -3,-1.7 -1,-0.3 -4,-0.4 2,-0.2 0.036 113.5 49.2 -99.7 22.8 9.0 -7.5 23.0 60 80 A M S X S+ 0 0 30 -3,-1.4 3,-1.6 1,-0.1 44,-0.3 -0.798 77.5 55.7-142.9-177.8 11.1 -10.7 23.0 61 81 A Y T 3 S- 0 0 134 42,-3.0 43,-0.2 1,-0.3 44,-0.2 0.790 119.5 -68.6 56.5 33.3 11.0 -14.5 22.6 62 82 A N T 3 S+ 0 0 49 42,-2.8 -1,-0.3 1,-0.1 43,-0.1 0.781 94.7 143.4 58.1 33.4 9.5 -14.2 19.1 63 83 A G < - 0 0 24 -3,-1.6 -1,-0.1 41,-0.3 -5,-0.1 -0.168 59.6-103.4 -83.6-173.1 6.2 -12.9 20.3 64 84 A Y - 0 0 168 -2,-0.1 44,-0.1 46,-0.1 -5,-0.1 -0.729 37.5-162.8-114.9 80.3 3.9 -10.3 18.7 65 85 A P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 -6,-0.1 -0.295 25.2-110.2 -61.9 147.4 4.4 -7.0 20.6 66 86 A S - 0 0 55 -16,-0.1 -12,-0.0 1,-0.1 45,-0.0 -0.539 29.9-177.4 -74.1 143.2 1.7 -4.4 20.1 67 87 A I > + 0 0 23 -2,-0.2 4,-2.3 2,-0.1 5,-0.3 0.200 56.3 101.4-122.3 13.6 2.8 -1.3 18.2 68 88 A T H > S+ 0 0 109 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.979 93.4 31.0 -60.4 -56.8 -0.5 0.6 18.4 69 89 A T H > S+ 0 0 62 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.887 118.0 55.7 -71.5 -39.5 0.6 2.9 21.2 70 90 A P H > S+ 0 0 5 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.931 112.1 43.8 -59.2 -42.3 4.3 3.0 20.1 71 91 A T H X S+ 0 0 13 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.900 112.4 52.3 -68.5 -40.9 3.3 4.2 16.7 72 92 A A H X S+ 0 0 43 -4,-2.0 4,-2.6 -5,-0.3 -1,-0.2 0.885 107.6 53.1 -59.8 -39.9 0.8 6.7 18.1 73 93 A N H X S+ 0 0 26 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.901 104.3 55.0 -64.0 -40.7 3.6 8.0 20.4 74 94 A M H X S+ 0 0 0 -4,-1.8 4,-0.8 1,-0.2 11,-0.2 0.928 112.4 43.6 -57.0 -44.8 5.8 8.6 17.3 75 95 A K H < S+ 0 0 126 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.922 116.7 46.5 -64.7 -44.2 3.1 10.7 15.7 76 96 A S H < S+ 0 0 84 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.870 115.6 43.5 -69.4 -38.3 2.3 12.5 19.0 77 97 A W H ><>S+ 0 0 27 -4,-3.1 3,-2.7 -5,-0.2 5,-1.7 0.559 80.9 130.4 -85.5 -8.9 5.9 13.3 19.9 78 98 A S B 3<5S+h 82 0B 34 -4,-0.8 6,-0.2 -3,-0.4 5,-0.2 -0.216 80.1 8.6 -54.4 121.6 7.0 14.3 16.4 79 99 A G T 3 5S+ 0 0 52 3,-1.8 -1,-0.3 1,-0.2 4,-0.2 0.353 133.8 47.9 91.6 -6.8 8.8 17.7 16.5 80 100 A N T < 5S+ 0 0 126 -3,-2.7 -2,-0.2 2,-0.4 -1,-0.2 0.512 120.7 16.3-124.0 -83.8 9.0 17.8 20.3 81 101 A Q T 5S+ 0 0 79 -4,-0.5 217,-3.0 -5,-0.1 2,-0.3 0.691 137.9 22.6 -72.7 -18.3 10.2 14.7 22.2 82 102 A I B - 0 0 48 -6,-0.2 3,-1.8 1,-0.2 4,-0.3 -0.195 37.5-139.7 -50.4 128.5 10.0 15.2 13.1 85 105 A V G > S+ 0 0 21 1,-0.3 3,-1.0 -11,-0.2 4,-0.4 0.640 95.9 81.8 -68.4 -12.3 9.0 11.8 11.8 86 106 A A G > S+ 0 0 70 1,-0.2 3,-1.5 2,-0.2 -1,-0.3 0.830 81.4 65.8 -56.7 -31.8 8.8 13.4 8.3 87 107 A N G X S+ 0 0 45 -3,-1.8 3,-2.4 1,-0.3 -1,-0.2 0.862 87.4 66.8 -57.9 -35.9 12.6 12.8 8.3 88 108 A L G X S+ 0 0 1 -3,-1.0 3,-0.9 -4,-0.3 33,-0.5 0.694 86.5 70.2 -63.8 -16.2 12.0 9.0 8.3 89 109 A G G < S+ 0 0 30 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.600 103.6 42.4 -75.5 -10.5 10.5 9.4 4.9 90 110 A Q G < S+ 0 0 158 -3,-2.4 2,-0.4 -4,-0.2 -1,-0.3 -0.301 94.0 104.0-129.4 47.8 14.0 10.1 3.5 91 111 A R < - 0 0 23 -3,-0.9 2,-0.6 30,-0.0 30,-0.4 -0.976 67.1-126.6-128.9 143.3 16.2 7.6 5.4 92 112 A K E -c 39 0A 44 -54,-2.7 -52,-1.6 -2,-0.4 2,-0.5 -0.799 32.5-167.9 -83.7 124.4 17.8 4.4 4.3 93 113 A I E -cd 40 125A 0 31,-2.3 33,-2.5 -2,-0.6 2,-0.4 -0.969 8.3-169.8-124.1 121.9 16.6 1.7 6.8 94 114 A Y E -cd 41 126A 1 -54,-2.4 -52,-2.4 -2,-0.5 2,-0.4 -0.916 6.7-178.0-110.1 133.9 18.2 -1.8 7.0 95 115 A M E -cd 42 127A 0 31,-2.9 33,-3.0 -2,-0.4 2,-0.3 -0.995 0.9-179.6-135.0 139.6 16.7 -4.6 9.1 96 116 A W E +cd 43 128A 0 -54,-2.4 -52,-2.8 -2,-0.4 2,-0.3 -0.996 5.8 170.6-139.4 141.8 17.9 -8.1 9.7 97 117 A T E - d 0 129A 0 31,-2.0 33,-2.1 -2,-0.3 2,-0.3 -0.992 31.0-125.5-142.7 149.4 16.7 -11.2 11.6 98 118 A G E > - d 0 130A 0 -2,-0.3 3,-1.1 31,-0.2 33,-0.2 -0.744 22.5-135.0 -83.1 144.0 17.7 -14.8 11.8 99 119 A S T 3 S+ 0 0 51 31,-2.4 32,-0.1 -2,-0.3 35,-0.1 0.741 104.8 49.5 -72.5 -20.6 14.8 -17.1 11.1 100 120 A S T 3 S+ 0 0 53 33,-2.0 2,-0.6 30,-0.4 35,-0.3 0.229 78.8 124.6-103.8 11.2 15.7 -19.3 14.1 101 121 A D < + 0 0 1 -3,-1.1 33,-0.1 32,-0.4 32,-0.1 -0.631 23.8 165.2 -75.3 116.5 16.1 -16.4 16.6 102 122 A T + 0 0 98 -2,-0.6 -1,-0.1 3,-0.1 32,-0.1 0.142 66.4 71.4-116.8 16.6 13.8 -17.1 19.5 103 123 A T S S- 0 0 44 -42,-0.1 -42,-3.0 -43,-0.1 -2,-0.1 0.833 131.9 -15.0 -95.8 -48.4 15.4 -14.5 21.8 104 124 A V S S+ 0 0 6 -44,-0.3 -42,-2.8 -43,-0.2 -41,-0.3 0.544 103.0 178.5-110.6 -79.7 14.0 -11.5 20.0 105 125 A G >> - 0 0 0 -44,-0.2 4,-2.7 1,-0.1 3,-0.7 -0.007 41.7 -66.4 111.4 161.1 12.8 -13.0 16.7 106 126 A P H 3> S+ 0 0 30 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.843 124.3 55.6 -52.6 -39.6 11.2 -12.6 13.2 107 127 A N H 3> S+ 0 0 39 2,-0.2 4,-0.8 1,-0.2 -2,-0.1 0.846 112.1 42.5 -68.6 -32.6 7.8 -11.8 14.8 108 128 A V H <> S+ 0 0 0 -3,-0.7 4,-1.4 -4,-0.2 3,-0.5 0.926 115.2 48.0 -77.5 -47.7 9.3 -8.9 16.8 109 129 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.862 106.8 58.7 -60.9 -33.9 11.5 -7.6 14.0 110 130 A N H X S+ 0 0 72 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.849 101.6 54.5 -64.5 -33.5 8.5 -7.7 11.7 111 131 A Q H X S+ 0 0 37 -4,-0.8 4,-2.6 -3,-0.5 -1,-0.2 0.849 105.4 52.7 -68.9 -34.6 6.6 -5.4 14.0 112 132 A L H X S+ 0 0 0 -4,-1.4 4,-2.7 2,-0.2 5,-0.3 0.918 109.5 49.8 -61.5 -43.4 9.4 -2.9 13.8 113 133 A K H X S+ 0 0 91 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.938 112.7 46.3 -59.0 -47.1 9.1 -3.1 10.0 114 134 A A H < S+ 0 0 45 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.901 112.8 50.5 -63.5 -42.0 5.4 -2.5 10.2 115 135 A Q H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.947 113.1 43.3 -62.2 -51.4 5.8 0.4 12.6 116 136 A L H >X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.3 3,-2.2 0.769 99.2 75.0 -67.3 -24.7 8.4 2.2 10.5 117 137 A G T 3< S+ 0 0 45 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.727 85.2 65.4 -60.2 -21.0 6.3 1.5 7.4 118 138 A N T <4 S+ 0 0 93 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.702 119.4 20.1 -69.2 -19.8 4.0 4.2 8.6 119 139 A F T <4 S+ 0 0 29 -3,-2.2 -2,-0.2 -4,-0.2 -1,-0.1 0.590 110.0 76.8-127.0 -20.7 6.7 6.7 8.1 120 140 A D S < S- 0 0 29 -4,-2.4 2,-0.5 -31,-0.1 -31,-0.2 -0.295 74.9-106.9 -99.6 179.4 9.3 5.4 5.7 121 141 A N > - 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