==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-MAY-04 1T5B . COMPND 2 MOLECULE: ACYL CARRIER PROTEIN PHOSPHODIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR R.ZHANG,R.WU,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER FOR . 397 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17904.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 . 44 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0 0 2 0 0 0 2 2 0 0 0 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 2 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 M 0 0 140 0, 0.0 2,-0.3 0, 0.0 35,-0.1 0.000 360.0 360.0 360.0 136.2 -2.1 80.5 14.7 2 2 A S - 0 0 41 31,-0.1 35,-1.2 85,-0.0 2,-0.5 -0.859 360.0-138.1-116.7 151.8 -1.7 76.7 14.5 3 3 A K E -a 37 0A 54 -2,-0.3 84,-2.4 33,-0.2 85,-2.1 -0.939 19.4-154.8-108.9 127.9 -4.1 74.0 13.5 4 4 A V E -ab 38 88A 1 33,-2.9 35,-3.1 -2,-0.5 2,-0.5 -0.910 5.0-162.0-108.9 129.1 -4.1 70.9 15.7 5 5 A L E -ab 39 89A 0 83,-3.1 85,-3.3 -2,-0.5 2,-0.5 -0.947 7.5-163.6-109.1 123.4 -5.3 67.5 14.4 6 6 A V E -ab 40 90A 0 33,-3.2 35,-2.9 -2,-0.5 2,-0.7 -0.945 1.7-163.1-112.6 121.1 -6.1 65.0 17.0 7 7 A L E -ab 41 91A 0 83,-3.4 85,-2.7 -2,-0.5 2,-0.3 -0.904 6.3-167.5-106.7 108.9 -6.3 61.3 16.0 8 8 A K E +a 42 0A 41 33,-2.1 35,-2.8 -2,-0.7 36,-0.2 -0.764 16.1 164.5 -94.2 141.6 -8.2 59.1 18.6 9 9 A S + 0 0 0 -2,-0.3 94,-0.3 33,-0.2 95,-0.2 0.473 27.7 121.7-136.7 -5.6 -7.9 55.3 18.2 10 10 A S - 0 0 11 1,-0.1 3,-0.3 93,-0.1 34,-0.1 -0.278 48.0-152.3 -62.3 147.9 -9.0 53.6 21.4 11 11 A I S S+ 0 0 15 1,-0.2 -1,-0.1 242,-0.1 246,-0.1 0.269 82.3 82.3-101.9 10.5 -11.9 51.1 21.2 12 12 A L S > S- 0 0 66 1,-0.3 3,-2.4 2,-0.0 4,-0.2 0.309 73.7-162.5 -98.9 9.3 -12.9 51.8 24.8 13 13 A A G > S+ 0 0 85 -3,-0.3 3,-2.1 1,-0.3 -1,-0.3 -0.170 74.3 4.7 49.4-128.2 -15.0 55.0 24.2 14 14 A G G 3 S+ 0 0 69 1,-0.3 -1,-0.3 5,-0.1 -2,-0.0 0.646 131.8 58.6 -61.2 -16.9 -15.5 56.9 27.4 15 15 A Y G < S+ 0 0 197 -3,-2.4 -1,-0.3 4,-0.0 -2,-0.2 0.392 77.6 130.8 -93.0 1.8 -13.3 54.5 29.3 16 16 A S <> - 0 0 4 -3,-2.1 4,-1.5 -4,-0.2 5,-0.1 -0.357 43.6-163.6 -62.3 126.5 -10.3 55.2 27.1 17 17 A Q H > S+ 0 0 50 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.936 95.9 42.9 -73.7 -48.0 -7.0 55.9 28.9 18 18 A S H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.847 112.2 56.4 -66.4 -31.1 -5.4 57.4 25.8 19 19 A G H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.886 105.3 50.2 -66.4 -38.9 -8.7 59.2 25.1 20 20 A Q H X S+ 0 0 80 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.851 110.6 50.9 -67.7 -33.2 -8.6 60.8 28.5 21 21 A L H X S+ 0 0 5 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.878 109.0 49.7 -71.4 -38.5 -5.0 61.9 27.8 22 22 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.868 108.1 54.5 -68.9 -33.1 -5.9 63.4 24.4 23 23 A D H X S+ 0 0 81 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.916 109.6 47.0 -64.5 -41.0 -8.8 65.3 26.1 24 24 A Y H X S+ 0 0 39 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.915 110.4 52.4 -65.2 -43.2 -6.3 66.8 28.6 25 25 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.945 112.5 45.4 -56.5 -48.9 -3.9 67.7 25.8 26 26 A I H X S+ 0 0 22 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.922 112.0 51.8 -60.0 -47.0 -6.8 69.5 24.0 27 27 A E H X S+ 0 0 103 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.928 114.7 42.5 -56.1 -47.7 -7.9 71.2 27.2 28 28 A Q H X S+ 0 0 21 -4,-3.0 4,-2.1 2,-0.2 5,-0.2 0.868 111.9 52.3 -70.0 -38.3 -4.3 72.4 27.8 29 29 A W H X S+ 0 0 4 -4,-2.8 4,-2.7 -5,-0.2 7,-0.2 0.916 108.0 52.7 -64.8 -40.4 -3.7 73.5 24.2 30 30 A R H < S+ 0 0 135 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.814 110.0 50.5 -62.3 -31.3 -6.9 75.5 24.2 31 31 A E H < S+ 0 0 105 -4,-1.1 3,-0.4 -5,-0.2 -2,-0.2 0.905 117.7 35.8 -71.9 -46.1 -5.7 77.2 27.4 32 32 A K H < S+ 0 0 114 -4,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.749 128.2 34.0 -81.3 -28.5 -2.2 78.2 26.1 33 33 A H >< + 0 0 56 -4,-2.7 3,-1.5 -5,-0.2 -1,-0.2 -0.671 67.8 175.6-130.8 77.2 -3.2 78.9 22.5 34 34 A V T 3 S+ 0 0 130 -3,-0.4 -1,-0.1 -2,-0.3 -4,-0.1 0.581 78.3 49.5 -59.5 -14.5 -6.7 80.4 22.7 35 35 A A T 3 S+ 0 0 72 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.536 84.3 110.0-103.5 -8.9 -6.9 81.2 19.0 36 36 A D < - 0 0 19 -3,-1.5 2,-0.4 -7,-0.2 -33,-0.2 -0.376 64.2-130.6 -70.5 145.3 -5.8 77.8 17.7 37 37 A E E -a 3 0A 104 -35,-1.2 -33,-2.9 -2,-0.1 2,-0.4 -0.792 16.1-151.3 -98.7 137.5 -8.3 75.5 15.9 38 38 A I E -a 4 0A 28 -2,-0.4 2,-0.4 -35,-0.2 -33,-0.2 -0.934 9.2-170.8-112.9 131.0 -8.7 71.9 16.9 39 39 A T E -a 5 0A 41 -35,-3.1 -33,-3.2 -2,-0.4 2,-0.5 -0.980 8.0-164.2-119.0 129.0 -9.8 69.1 14.6 40 40 A V E -a 6 0A 69 -2,-0.4 2,-0.6 -35,-0.2 -33,-0.2 -0.962 10.1-174.5-120.6 127.0 -10.6 65.7 16.0 41 41 A R E -a 7 0A 20 -35,-2.9 -33,-2.1 -2,-0.5 2,-0.9 -0.965 12.5-156.2-118.9 113.3 -10.9 62.5 14.0 42 42 A D E > -a 8 0A 59 -2,-0.6 4,-2.8 -35,-0.2 -33,-0.2 -0.803 3.3-166.1 -90.7 105.7 -12.1 59.5 16.1 43 43 A L T 4 S+ 0 0 0 -35,-2.8 5,-0.4 -2,-0.9 -34,-0.2 0.499 87.7 48.9 -72.2 -4.7 -10.8 56.5 14.2 44 44 A A T 4 S+ 0 0 35 -36,-0.2 -1,-0.2 3,-0.1 -35,-0.1 0.805 115.8 41.0 -97.3 -44.5 -13.0 54.1 16.3 45 45 A A T 4 S+ 0 0 80 1,-0.3 -2,-0.2 -37,-0.1 -36,-0.0 0.857 130.4 30.1 -69.8 -36.5 -16.2 56.2 15.9 46 46 A N S < S- 0 0 88 -4,-2.8 -1,-0.3 2,-0.0 -2,-0.1 -0.716 95.1-158.2-124.1 75.7 -15.4 56.9 12.2 47 47 A P - 0 0 84 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.223 10.3-140.0 -62.8 143.4 -13.5 53.7 11.2 48 48 A V - 0 0 7 -5,-0.4 58,-0.1 55,-0.3 59,-0.1 -0.809 34.6-105.4 -97.2 139.7 -11.1 53.6 8.2 49 49 A P - 0 0 42 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.192 34.7 -95.4 -68.2 160.4 -11.3 50.3 6.2 50 50 A V - 0 0 34 1,-0.1 2,-1.0 252,-0.0 5,-0.2 -0.488 39.2-112.9 -72.3 140.8 -8.8 47.5 6.3 51 51 A L + 0 0 12 -2,-0.2 251,-0.2 4,-0.1 252,-0.2 -0.666 53.2 163.0 -78.3 106.4 -6.2 47.6 3.5 52 52 A D > - 0 0 45 -2,-1.0 4,-2.6 250,-0.1 5,-0.3 -0.517 55.1 -81.6-113.7-174.5 -7.0 44.5 1.4 53 53 A G H > S+ 0 0 35 1,-0.2 4,-1.0 2,-0.2 159,-0.1 0.889 127.6 46.3 -55.8 -43.1 -6.1 43.4 -2.1 54 54 A E H > S+ 0 0 71 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.933 113.9 46.8 -67.4 -46.3 -8.8 45.5 -3.7 55 55 A L H >> S+ 0 0 1 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.893 106.3 56.2 -65.9 -40.3 -8.1 48.7 -1.8 56 56 A V H >< S+ 0 0 48 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.838 103.6 57.9 -61.6 -28.3 -4.3 48.6 -2.3 57 57 A G H >< S+ 0 0 26 -4,-1.0 3,-0.6 -5,-0.3 -1,-0.3 0.870 93.9 66.1 -66.8 -35.1 -5.1 48.5 -6.0 58 58 A A H << S+ 0 0 2 -4,-1.1 2,-0.6 -3,-0.6 -1,-0.2 0.761 96.1 57.7 -56.7 -27.8 -7.0 51.7 -5.6 59 59 A M T << 0 0 31 -3,-0.8 -1,-0.3 -4,-0.7 55,-0.2 -0.470 360.0 360.0-104.4 59.7 -3.7 53.4 -4.8 60 60 A R < 0 0 179 -2,-0.6 -3,-0.1 -3,-0.6 -1,-0.1 -0.538 360.0 360.0 76.7 360.0 -2.0 52.5 -8.0 61 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 62 63 A D 0 0 201 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.2 -5.3 53.7 -16.2 63 64 A A - 0 0 75 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.339 360.0-106.0 -58.9 136.8 -7.3 50.6 -15.1 64 65 A P - 0 0 123 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.356 33.8-123.1 -66.8 146.0 -10.8 51.6 -14.1 65 66 A L - 0 0 58 -3,-0.1 -7,-0.0 1,-0.1 0, 0.0 -0.664 16.5-122.6 -93.0 146.4 -11.5 51.5 -10.3 66 67 A T > - 0 0 50 -2,-0.3 4,-2.4 -12,-0.1 5,-0.2 -0.332 36.3-101.1 -75.3 165.5 -14.3 49.5 -8.7 67 68 A P H > S+ 0 0 89 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.899 125.6 50.9 -56.9 -38.5 -16.9 51.4 -6.6 68 69 A R H > S+ 0 0 96 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.906 109.9 48.7 -65.9 -41.1 -15.1 50.3 -3.5 69 70 A Q H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.876 108.7 54.8 -66.7 -36.3 -11.7 51.5 -4.8 70 71 A Q H X S+ 0 0 99 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.938 111.4 43.8 -60.9 -48.2 -13.2 54.8 -5.8 71 72 A D H X S+ 0 0 116 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.901 113.8 50.7 -64.3 -41.3 -14.5 55.4 -2.2 72 73 A A H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.885 110.7 49.0 -64.2 -39.9 -11.2 54.2 -0.7 73 74 A L H X S+ 0 0 34 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.924 110.7 50.3 -67.0 -42.7 -9.3 56.6 -2.9 74 75 A A H X S+ 0 0 58 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.905 112.0 48.4 -61.7 -39.9 -11.6 59.5 -2.0 75 76 A L H X S+ 0 0 39 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.929 109.3 52.0 -66.2 -44.3 -11.1 58.6 1.7 76 77 A S H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.922 110.0 49.6 -56.9 -45.8 -7.3 58.4 1.3 77 78 A D H X S+ 0 0 78 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.913 111.4 49.8 -59.6 -43.3 -7.3 61.8 -0.3 78 79 A E H X S+ 0 0 99 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.925 112.4 45.8 -61.9 -48.2 -9.4 63.2 2.5 79 80 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.928 116.2 45.8 -62.4 -45.7 -7.2 61.8 5.2 80 81 A I H X S+ 0 0 7 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.919 112.1 49.9 -64.9 -44.4 -4.0 63.0 3.5 81 82 A A H X S+ 0 0 60 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.2 0.912 112.8 49.2 -60.3 -41.3 -5.4 66.5 2.8 82 83 A E H X S+ 0 0 31 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.927 111.0 48.5 -63.2 -47.1 -6.4 66.7 6.4 83 84 A L H >< S+ 0 0 2 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.923 113.8 46.3 -60.2 -46.5 -3.0 65.6 7.7 84 85 A K H 3< S+ 0 0 83 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.787 106.1 61.3 -68.2 -26.3 -1.2 68.1 5.5 85 86 A A H 3< S+ 0 0 54 -4,-1.6 2,-0.3 -5,-0.2 -1,-0.2 0.576 96.3 72.2 -77.7 -11.4 -3.6 70.9 6.4 86 87 A H << - 0 0 7 -3,-1.0 -82,-0.2 -4,-0.6 3,-0.1 -0.734 60.5-157.1-108.0 158.4 -2.7 70.8 10.1 87 88 A D S S+ 0 0 62 -84,-2.4 46,-2.1 -2,-0.3 2,-0.5 0.793 81.3 42.8 -98.6 -38.1 0.5 71.9 12.0 88 89 A V E -bc 4 133A 3 -85,-2.1 -83,-3.1 44,-0.2 2,-0.6 -0.971 69.6-160.9-117.2 123.5 0.4 69.9 15.2 89 90 A I E -bc 5 134A 1 44,-3.1 46,-2.8 -2,-0.5 2,-0.6 -0.921 3.4-167.8-112.1 111.7 -0.5 66.2 14.9 90 91 A V E -bc 6 135A 0 -85,-3.3 -83,-3.4 -2,-0.6 2,-0.5 -0.875 8.1-170.1-100.8 123.5 -1.7 64.5 18.2 91 92 A I E -bc 7 136A 3 44,-3.0 46,-2.7 -2,-0.6 2,-0.6 -0.955 16.5-148.8-122.7 119.0 -1.9 60.7 17.9 92 93 A A E + c 0 137A 0 -85,-2.7 46,-0.2 -2,-0.5 44,-0.1 -0.736 25.5 169.9 -81.8 120.5 -3.4 58.4 20.5 93 94 A A + 0 0 0 44,-2.9 -1,-0.1 -2,-0.6 63,-0.1 -0.520 3.9 175.7-135.0 69.7 -1.4 55.2 20.3 94 95 A P - 0 0 6 0, 0.0 2,-0.6 0, 0.0 46,-0.2 -0.261 39.2-102.0 -68.7 163.1 -2.3 52.8 23.2 95 96 A M + 0 0 27 44,-2.1 2,-0.5 5,-0.1 46,-0.3 -0.798 38.6 178.7 -93.2 118.5 -0.7 49.3 23.3 96 97 A Y B > S-E 99 0B 39 3,-2.9 3,-1.7 -2,-0.6 213,-0.0 -0.960 77.4 -24.9-119.1 108.9 -3.1 46.5 22.1 97 98 A N T 3 S- 0 0 50 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.897 123.9 -54.4 53.3 45.5 -1.4 43.1 22.1 98 99 A F T 3 S+ 0 0 23 1,-0.3 53,-0.4 260,-0.1 -1,-0.3 0.488 128.0 79.9 69.1 7.2 2.1 44.7 21.7 99 100 A N B < S-E 96 0B 6 -3,-1.7 -3,-2.9 1,-0.1 -1,-0.3 -0.641 88.3 -90.8-127.8-176.9 1.0 46.6 18.6 100 101 A I - 0 0 0 -5,-0.2 -5,-0.1 -2,-0.2 -7,-0.1 -0.496 60.4 -75.2 -90.6 168.7 -1.0 49.8 18.0 101 102 A P >> - 0 0 0 0, 0.0 4,-2.1 0, 0.0 3,-0.9 -0.373 35.0-128.5 -64.5 144.8 -4.8 49.7 17.6 102 103 A T H 3> S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.841 108.8 67.5 -60.9 -29.7 -6.0 48.4 14.2 103 104 A Q H 3> S+ 0 0 11 -94,-0.3 4,-0.8 149,-0.2 -55,-0.3 0.881 107.0 38.0 -56.4 -40.6 -8.1 51.6 14.0 104 105 A L H <> S+ 0 0 0 -3,-0.9 4,-2.3 -95,-0.2 -1,-0.2 0.860 112.1 57.8 -78.8 -38.1 -4.9 53.6 13.8 105 106 A K H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.902 103.4 53.2 -59.3 -42.0 -3.1 51.1 11.6 106 107 A N H X S+ 0 0 6 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.886 107.5 52.3 -61.1 -38.2 -5.8 51.3 8.9 107 108 A Y H >X S+ 0 0 2 -4,-0.8 4,-1.2 -5,-0.2 3,-1.0 0.943 109.4 48.9 -61.9 -48.7 -5.4 55.1 8.9 108 109 A F H >X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.3 3,-0.5 0.904 106.3 56.9 -58.0 -43.3 -1.6 54.7 8.3 109 110 A D H 3< S+ 0 0 4 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.710 110.6 44.5 -64.1 -19.7 -2.2 52.2 5.5 110 111 A L H << S+ 0 0 2 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.615 113.6 48.2 -98.3 -15.5 -4.4 54.9 3.7 111 112 A I H << S+ 0 0 2 -4,-1.2 2,-1.1 -3,-0.5 -2,-0.2 0.684 88.2 87.3 -97.2 -17.1 -2.1 57.8 4.2 112 113 A A < + 0 0 13 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.1 -0.712 59.5 154.9 -83.6 100.5 1.2 56.1 3.1 113 114 A R >>> - 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