==== 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 21-SEP-09 3JYF . COMPND 2 MOLECULE: 2',3'-CYCLIC NUCLEOTIDE 2'-PHOSPHODIESTERASE/3'- . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIA . AUTHOR Y.FAN,L.VOLKART,G.COBB,A.JOACHIMIAK,MIDWEST CENTER FOR STRUC . 671 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 466 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.2 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 64 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 6 0 2 0 0 3 1 0 0 2 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 6 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 11 2 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 4 0 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 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 4 A A 0 0 107 0, 0.0 2,-0.3 0, 0.0 286,-0.1 0.000 360.0 360.0 360.0 68.4 -4.0 31.9 41.9 2 5 A A - 0 0 1 144,-0.1 284,-1.6 145,-0.0 2,-0.5 -0.639 360.0-154.7 -88.9 142.8 -1.8 31.3 45.0 3 6 A T E -A 285 0A 46 -2,-0.3 144,-2.3 282,-0.2 2,-0.4 -0.980 15.4-171.1-115.4 120.1 2.0 30.9 45.1 4 7 A V E -A 284 0A 0 280,-3.0 280,-3.8 -2,-0.5 2,-0.5 -0.942 14.0-149.3-114.8 131.8 3.4 29.0 48.1 5 8 A D E -A 283 0A 92 140,-0.5 2,-0.4 -2,-0.4 45,-0.3 -0.849 17.6-170.1 -91.0 130.3 7.1 28.5 49.1 6 9 A L E -A 282 0A 2 276,-2.8 276,-3.3 -2,-0.5 2,-0.5 -0.983 8.1-165.3-127.3 124.9 7.9 25.2 50.8 7 10 A R E -Ab 281 51A 15 43,-1.8 45,-2.2 -2,-0.4 2,-0.5 -0.922 3.4-167.1-104.9 128.6 11.1 24.4 52.5 8 11 A I E -Ab 280 52A 0 272,-2.7 272,-2.8 -2,-0.5 2,-0.3 -0.978 7.7-166.7-117.0 120.5 11.9 20.8 53.3 9 12 A X E -Ab 279 53A 0 43,-3.3 45,-2.7 -2,-0.5 2,-0.4 -0.789 4.1-166.5-107.8 152.6 14.8 20.1 55.7 10 13 A E E -Ab 278 54A 0 268,-1.9 268,-2.8 -2,-0.3 2,-0.4 -0.989 17.3-165.7-146.0 130.7 16.5 16.8 56.4 11 14 A T E - b 0 55A 0 43,-2.1 45,-2.9 -2,-0.4 2,-0.3 -0.895 23.8-179.1-102.7 145.9 18.9 15.2 58.8 12 15 A T + 0 0 2 -2,-0.4 262,-0.7 258,-0.4 264,-0.2 -0.996 52.1 5.5-144.6 149.3 20.4 11.8 57.8 13 16 A D + 0 0 0 44,-1.8 260,-3.4 -2,-0.3 45,-0.2 0.851 62.0 159.8 51.3 43.1 22.8 9.2 59.2 14 17 A L > - 0 0 0 43,-0.4 3,-1.9 259,-0.2 45,-0.2 0.831 29.9-158.4 -62.4 -32.5 23.1 10.9 62.6 15 18 A H T 3 - 0 0 9 43,-2.8 51,-0.3 1,-0.3 44,-0.2 0.861 64.3 -63.5 53.6 44.8 24.2 7.5 63.9 16 19 A S T 3 S+ 0 0 0 43,-1.1 2,-1.8 1,-0.2 3,-0.3 0.598 93.9 144.6 47.0 24.9 23.2 8.5 67.5 17 20 A N < + 0 0 9 -3,-1.9 17,-2.1 1,-0.2 -1,-0.2 -0.577 9.3 148.3 -80.6 75.4 25.8 11.3 67.5 18 21 A X + 0 0 1 -2,-1.8 17,-2.4 15,-0.2 18,-0.2 0.939 56.9 58.8 -73.7 -47.6 23.6 13.7 69.5 19 22 A X S S- 0 0 14 -3,-0.3 2,-1.9 15,-0.2 15,-0.2 -0.528 85.2-125.5 -82.6 145.6 26.5 15.4 71.2 20 23 A D S S+ 0 0 1 -2,-0.2 9,-2.2 13,-0.2 2,-0.4 -0.494 77.6 117.7 -79.5 63.2 29.2 17.3 69.4 21 24 A F E -F 28 0B 24 -2,-1.9 2,-0.8 7,-0.3 7,-0.2 -0.995 61.9-146.9-142.5 131.3 31.6 15.0 71.3 22 25 A D E >> -F 27 0B 34 5,-2.8 5,-1.9 -2,-0.4 4,-1.0 -0.858 14.3-169.0 -95.3 104.7 34.1 12.4 70.4 23 26 A Y T 45S+ 0 0 13 -2,-0.8 -1,-0.1 3,-0.2 5,-0.1 0.695 83.2 54.6 -73.0 -18.4 34.0 9.8 73.2 24 27 A Y T 45S+ 0 0 50 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.905 117.9 34.2 -81.6 -45.1 37.1 8.0 72.1 25 28 A K T 45S- 0 0 146 2,-0.2 -2,-0.2 0, 0.0 -1,-0.2 0.633 106.1-139.5 -69.9 -15.3 39.2 11.1 72.1 26 29 A D T <5 + 0 0 61 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.903 64.6 109.0 47.4 49.3 37.0 12.1 75.1 27 30 A A E > - 0 0 0 240,-2.5 3,-1.9 -2,-0.3 4,-1.5 0.199 59.8-113.5 119.4 130.6 26.6 16.3 66.3 34 37 A L H 3> S+ 0 0 1 -17,-2.1 4,-3.0 1,-0.3 5,-0.2 0.846 111.1 70.0 -55.3 -38.1 22.9 17.0 66.2 35 38 A V H 34 S+ 0 0 0 -17,-2.4 281,-2.8 1,-0.2 -1,-0.3 0.747 108.2 37.7 -52.8 -24.4 23.3 19.7 68.9 36 39 A R H X> S+ 0 0 31 -3,-1.9 4,-0.9 279,-0.2 3,-0.8 0.770 111.4 55.7 -97.1 -31.2 25.1 21.8 66.2 37 40 A T H 3X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 3,-0.3 0.817 96.7 68.2 -73.8 -24.0 23.0 20.8 63.3 38 41 A A H 3X S+ 0 0 2 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.799 94.9 56.2 -58.4 -30.7 20.0 22.1 65.4 39 42 A S H <> S+ 0 0 19 -3,-0.8 4,-2.2 275,-0.4 -1,-0.2 0.863 106.0 49.6 -69.5 -35.8 21.5 25.6 64.9 40 43 A L H X S+ 0 0 4 -4,-0.9 4,-2.2 -3,-0.3 -2,-0.2 0.883 110.8 51.2 -68.6 -35.8 21.4 25.1 61.2 41 44 A I H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.958 110.3 47.3 -62.4 -51.8 17.7 24.0 61.6 42 45 A E H X S+ 0 0 126 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.905 113.5 49.1 -58.4 -43.3 16.8 27.1 63.6 43 46 A Q H X S+ 0 0 91 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.913 111.8 47.9 -60.9 -43.8 18.5 29.3 61.1 44 47 A A H < S+ 0 0 0 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.828 110.9 51.6 -70.7 -34.3 16.8 27.7 58.1 45 48 A R H >< S+ 0 0 64 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.850 107.3 53.3 -66.0 -38.6 13.4 27.9 59.7 46 49 A A H 3< S+ 0 0 85 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.756 99.3 63.5 -72.0 -24.3 13.8 31.6 60.4 47 50 A E T 3< S+ 0 0 104 -4,-1.1 2,-0.3 -5,-0.1 -1,-0.2 0.607 109.4 34.0 -75.1 -10.5 14.6 32.3 56.8 48 51 A V < - 0 0 39 -3,-1.0 3,-0.1 -4,-0.3 -42,-0.0 -0.882 66.1-132.5-141.3 167.9 11.2 31.3 55.5 49 52 A K S S+ 0 0 183 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.888 93.2 43.5 -88.2 -44.6 7.5 31.1 56.4 50 53 A N + 0 0 17 -45,-0.3 -43,-1.8 95,-0.1 2,-0.3 -0.907 69.8 147.2-112.6 121.3 6.7 27.5 55.5 51 54 A S E -b 7 0A 37 -2,-0.5 2,-0.3 -45,-0.2 -43,-0.2 -0.996 23.2-166.5-150.4 152.6 9.0 24.6 56.4 52 55 A V E -b 8 0A 12 -45,-2.2 -43,-3.3 -2,-0.3 2,-0.4 -0.980 13.3-144.7-137.2 153.0 9.0 20.9 57.4 53 56 A L E +b 9 0A 0 37,-0.4 39,-3.7 -2,-0.3 40,-1.0 -0.964 16.2 179.4-126.4 129.7 11.7 18.6 58.9 54 57 A V E -bc 10 93A 0 -45,-2.7 -43,-2.1 -2,-0.4 2,-0.5 -0.918 19.4-141.8-124.6 150.4 12.3 14.9 58.2 55 58 A D E -bc 11 94A 0 38,-2.0 40,-2.2 -2,-0.3 -43,-0.2 -0.953 4.7-155.7-109.9 136.7 14.9 12.4 59.4 56 59 A N - 0 0 0 -45,-2.9 -44,-0.1 -2,-0.5 38,-0.1 0.293 42.3-117.9 -93.1 6.7 16.2 9.8 57.0 57 60 A G S S+ 0 0 0 -46,-0.2 -44,-1.8 40,-0.1 -43,-0.4 -0.244 77.4 112.3 87.4-172.0 17.2 7.1 59.5 58 61 A D + 0 0 2 -45,-0.2 -43,-2.8 -46,-0.1 -42,-0.1 0.977 59.8 122.0 54.2 63.7 20.5 5.4 60.6 59 62 A V + 0 0 0 -45,-0.2 -43,-1.1 -44,-0.2 37,-0.0 0.651 52.4 54.7-127.5 -31.9 20.0 7.1 63.9 60 63 A I S S+ 0 0 0 -45,-0.1 2,-0.3 -44,-0.1 3,-0.1 0.295 108.8 47.2 -93.4 11.8 19.7 4.7 66.8 61 64 A Q S S+ 0 0 32 1,-0.1 -44,-0.2 8,-0.0 38,-0.1 -0.990 75.9 61.1-150.1 148.2 23.1 3.0 66.0 62 65 A G S S+ 0 0 26 1,-0.3 -46,-0.1 -2,-0.3 -1,-0.1 0.508 84.8 60.2 113.8 6.7 26.7 3.8 65.2 63 66 A S S >> S- 0 0 7 -3,-0.1 4,-2.3 -47,-0.1 3,-0.8 -0.951 93.0 -89.3-149.6 170.4 28.3 5.8 68.0 64 67 A P H 3> S+ 0 0 10 0, 0.0 4,-3.7 0, 0.0 5,-0.2 0.845 124.4 56.4 -53.4 -38.0 29.0 5.3 71.7 65 68 A L H 3> S+ 0 0 8 1,-0.2 4,-2.4 -49,-0.2 5,-0.1 0.919 111.5 45.0 -56.6 -41.9 25.6 6.7 72.8 66 69 A G H <> S+ 0 0 0 -3,-0.8 4,-1.8 -51,-0.3 -1,-0.2 0.899 113.6 48.7 -66.6 -42.6 24.1 4.1 70.6 67 70 A D H X S+ 0 0 42 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.929 112.1 49.8 -62.6 -47.7 26.4 1.4 71.9 68 71 A Y H X S+ 0 0 30 -4,-3.7 4,-2.5 1,-0.2 -2,-0.2 0.911 112.0 47.2 -53.6 -48.8 25.7 2.4 75.5 69 72 A X H X S+ 0 0 6 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.788 110.3 52.3 -70.9 -27.9 21.9 2.3 74.9 70 73 A A H < S+ 0 0 29 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.909 112.9 44.4 -72.2 -43.2 22.0 -1.1 73.2 71 74 A A H < S+ 0 0 73 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.886 116.8 46.7 -65.3 -40.0 23.9 -2.5 76.1 72 75 A K H < S- 0 0 122 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.894 102.0-155.5 -68.4 -40.4 21.6 -0.8 78.6 73 76 A G < - 0 0 22 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.1 -0.156 12.3 -93.5 86.8 172.6 18.5 -2.0 76.7 74 77 A L - 0 0 13 -4,-0.1 2,-0.2 4,-0.0 36,-0.1 -0.998 27.9-159.5-130.3 131.8 15.0 -0.4 76.6 75 78 A K > - 0 0 161 -2,-0.4 3,-2.3 1,-0.1 -2,-0.0 -0.662 48.7 -69.1 -98.7 163.5 12.1 -1.4 78.8 76 79 A E T 3 S+ 0 0 181 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.243 123.7 18.3 -52.3 131.0 8.5 -0.5 77.8 77 80 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 33,-0.1 2,-0.1 0.306 89.7 137.3 87.7 -11.1 7.9 3.2 78.0 78 81 A D < - 0 0 57 -3,-2.3 2,-0.6 1,-0.1 -1,-0.3 -0.409 48.2-139.2 -64.9 146.6 11.6 4.2 77.9 79 82 A V - 0 0 57 -3,-0.1 32,-0.1 -2,-0.1 5,-0.1 -0.946 16.8-131.4-111.4 111.8 12.6 7.1 75.7 80 83 A H >> - 0 0 0 -2,-0.6 4,-1.7 31,-0.3 3,-1.4 -0.346 22.7-118.2 -59.3 138.0 15.8 6.5 73.7 81 84 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.787 112.3 62.6 -53.0 -31.1 18.1 9.6 74.1 82 85 A V H 3> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.905 108.7 42.9 -63.6 -34.3 18.0 10.3 70.4 83 86 A Y H <> S+ 0 0 0 -3,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.799 104.3 63.3 -80.1 -28.1 14.3 10.9 70.7 84 87 A K H < S+ 0 0 81 -4,-1.7 4,-0.2 2,-0.2 -2,-0.2 0.936 115.3 35.5 -54.5 -44.1 14.8 12.9 73.9 85 88 A A H >< S+ 0 0 1 -4,-2.1 3,-1.6 -5,-0.2 -2,-0.2 0.963 120.6 45.2 -71.3 -53.5 16.7 15.2 71.6 86 89 A X H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.3 5,-0.5 0.761 99.1 69.3 -71.4 -27.9 14.6 14.9 68.4 87 90 A N T 3< S+ 0 0 33 -4,-2.8 3,-0.3 1,-0.3 -1,-0.3 0.671 97.6 55.1 -60.2 -18.6 11.2 15.2 70.1 88 91 A T T < S+ 0 0 81 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.445 97.3 64.9 -91.7 -1.7 12.1 18.8 70.8 89 92 A L S < S- 0 0 18 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.2 0.419 100.0-122.7-108.4 1.4 12.8 19.7 67.1 90 93 A N - 0 0 128 -3,-0.3 -37,-0.4 -4,-0.3 2,-0.3 0.959 35.2-170.5 52.6 59.4 9.3 19.2 65.6 91 94 A Y - 0 0 8 -5,-0.5 -37,-0.2 1,-0.1 -1,-0.2 -0.592 18.9-149.4 -69.1 138.1 10.1 16.6 63.0 92 95 A A S S- 0 0 21 -39,-3.7 2,-0.3 1,-0.3 -38,-0.2 0.900 73.5 -13.4 -73.3 -42.3 7.3 16.0 60.5 93 96 A V E -c 54 0A 0 -40,-1.0 -38,-2.0 24,-0.1 2,-0.4 -0.991 56.9-135.9-158.5 153.8 8.3 12.3 60.0 94 97 A G E -cd 55 119A 0 24,-2.4 26,-2.8 -2,-0.3 2,-0.3 -0.931 14.5-155.4-114.8 148.0 11.0 9.7 60.5 95 98 A N E - d 0 120A 0 -40,-2.2 2,-0.4 -2,-0.4 26,-0.2 -0.853 21.9-113.6-115.3 153.5 12.3 7.2 58.0 96 99 A L - 0 0 0 24,-0.9 111,-0.3 -2,-0.3 2,-0.2 -0.759 26.5-163.1 -91.6 131.1 14.0 3.8 58.8 97 100 A G > - 0 0 0 -2,-0.4 3,-1.1 65,-0.1 4,-0.2 -0.528 36.2-100.7 -99.5 171.3 17.7 3.2 57.8 98 101 A N G > S+ 0 0 10 1,-0.2 3,-1.6 -2,-0.2 4,-0.2 0.889 118.5 57.8 -61.5 -38.1 19.5 -0.2 57.6 99 102 A H G > S+ 0 0 55 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.633 83.7 81.5 -73.4 -11.8 21.2 0.2 61.0 100 103 A E G < S+ 0 0 1 -3,-1.1 -1,-0.3 1,-0.2 3,-0.2 0.653 93.1 52.4 -59.8 -14.3 17.8 0.5 62.8 101 104 A F G X S+ 0 0 0 -3,-1.6 3,-1.8 -4,-0.2 -1,-0.2 0.517 78.3 95.9-100.8 -5.6 17.6 -3.3 62.5 102 105 A N T < S+ 0 0 46 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.742 88.6 43.5 -60.9 -26.8 21.0 -4.1 64.1 103 106 A Y T 3 S- 0 0 75 1,-0.3 4,-0.4 -4,-0.3 -1,-0.3 0.313 120.9 -95.4-106.3 11.4 19.6 -4.7 67.6 104 107 A G <> - 0 0 11 -3,-1.8 4,-1.8 1,-0.1 -1,-0.3 -0.028 36.3 -80.6 96.3 162.3 16.5 -6.7 66.6 105 108 A L H > S+ 0 0 22 68,-0.3 4,-2.8 2,-0.2 5,-0.2 0.847 123.7 55.7 -72.4 -35.4 12.9 -5.8 65.9 106 109 A D H > S+ 0 0 104 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.950 109.5 47.1 -60.3 -49.9 11.8 -5.7 69.5 107 110 A F H > S+ 0 0 23 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.897 112.9 50.8 -57.9 -42.1 14.5 -3.1 70.4 108 111 A L H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.934 108.6 49.5 -63.0 -48.9 13.5 -1.1 67.3 109 112 A H H X S+ 0 0 84 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.907 112.4 48.3 -59.9 -40.9 9.7 -1.1 68.1 110 113 A K H X S+ 0 0 68 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.899 113.0 48.8 -64.9 -40.2 10.5 0.1 71.7 111 114 A A H >< S+ 0 0 0 -4,-2.2 3,-1.6 -5,-0.2 4,-0.4 0.965 111.6 47.4 -63.2 -53.5 12.8 2.8 70.4 112 115 A L H >< S+ 0 0 22 -4,-3.0 3,-1.8 1,-0.3 -1,-0.2 0.836 101.9 66.0 -57.2 -36.3 10.3 4.1 67.8 113 116 A A H 3< S+ 0 0 84 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.747 96.0 58.0 -61.1 -21.9 7.5 4.1 70.4 114 117 A G T << S+ 0 0 12 -3,-1.6 -1,-0.3 -4,-0.6 2,-0.2 0.636 84.2 99.6 -80.9 -14.9 9.4 6.9 72.2 115 118 A A < - 0 0 15 -3,-1.8 4,-0.1 -4,-0.4 -31,-0.1 -0.535 63.6-152.1 -75.5 137.4 9.4 9.2 69.2 116 119 A K S S+ 0 0 175 -2,-0.2 -1,-0.1 -33,-0.2 -3,-0.1 0.031 78.1 68.4 -97.0 24.6 6.8 11.9 69.3 117 120 A F S S- 0 0 17 -27,-0.0 -24,-0.1 0, 0.0 -25,-0.1 -0.971 92.2 -97.5-137.3 152.3 6.6 12.0 65.5 118 121 A P - 0 0 57 0, 0.0 -24,-2.4 0, 0.0 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