==== 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 27-APR-05 1ZI8 . COMPND 2 MOLECULE: CARBOXYMETHYLENEBUTENOLIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR H.-K.KIM,J.-W.LIU,P.D.CARR,D.L.OLLIS . 233 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10349.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.3 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 18 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0 0 0 0 0 1 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 1 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 64 0, 0.0 2,-0.3 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 140.1 20.3 32.8 7.9 2 2 A L - 0 0 59 17,-0.1 2,-0.6 16,-0.1 17,-0.3 -0.834 360.0 -98.6-124.4 165.8 21.1 32.7 11.6 3 3 A T > - 0 0 48 15,-2.7 3,-1.7 -2,-0.3 15,-0.4 -0.791 47.3-115.2 -87.4 122.6 24.1 31.7 13.7 4 4 A E T 3 S+ 0 0 188 -2,-0.6 3,-0.1 1,-0.2 -1,-0.1 -0.241 94.2 18.6 -59.7 137.5 23.5 28.2 15.1 5 5 A G T 3 S+ 0 0 83 1,-0.3 2,-0.5 -3,-0.0 -1,-0.2 0.305 86.9 127.3 91.6 -14.4 23.2 28.0 18.8 6 6 A I < + 0 0 39 -3,-1.7 2,-0.4 12,-0.2 12,-0.3 -0.731 31.2 170.0 -83.0 124.9 22.4 31.6 19.5 7 7 A S - 0 0 73 -2,-0.5 2,-0.4 10,-0.2 10,-0.2 -1.000 12.9-173.5-137.5 135.2 19.2 32.1 21.6 8 8 A I E -A 16 0A 6 8,-2.4 8,-2.3 -2,-0.4 2,-0.5 -0.978 14.6-142.5-127.1 142.5 17.9 35.2 23.2 9 9 A Q E -A 15 0A 128 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.928 8.1-145.0-115.9 133.3 14.8 35.4 25.6 10 10 A S > - 0 0 10 4,-3.1 3,-2.1 -2,-0.5 89,-0.1 -0.345 34.4-100.2 -83.7 163.6 12.3 38.1 25.7 11 11 A Y T 3 S+ 0 0 210 1,-0.3 -1,-0.1 87,-0.2 88,-0.0 0.864 122.5 54.8 -53.2 -37.0 10.6 39.3 28.8 12 12 A D T 3 S- 0 0 97 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.439 122.9-102.9 -81.4 4.0 7.5 37.3 28.1 13 13 A G S < S+ 0 0 34 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.181 75.8 137.0 101.0 -21.5 9.5 34.1 27.8 14 14 A H - 0 0 42 -5,-0.1 -4,-3.1 1,-0.0 2,-0.3 -0.396 39.3-152.4 -61.1 137.0 9.6 33.8 24.0 15 15 A T E +A 9 0A 72 -6,-0.2 2,-0.3 50,-0.1 -6,-0.2 -0.830 16.6 175.1-112.9 154.2 13.1 32.8 22.6 16 16 A F E -A 8 0A 7 -8,-2.3 -8,-2.4 -2,-0.3 47,-0.1 -0.992 23.1-118.9-153.5 158.4 14.5 33.6 19.2 17 17 A G - 0 0 15 -2,-0.3 45,-2.9 -10,-0.2 2,-0.3 -0.111 23.7-163.0 -90.8-177.1 17.7 33.2 17.2 18 18 A A E -B 61 0B 0 -15,-0.4 -15,-2.7 -12,-0.3 2,-0.5 -0.976 26.1-115.7-162.5 156.4 20.0 35.8 15.6 19 19 A L E -B 60 0B 19 41,-2.3 41,-3.0 -17,-0.3 2,-0.4 -0.876 42.5-169.4 -96.0 125.6 22.8 36.2 13.1 20 20 A V E -B 59 0B 28 -2,-0.5 2,-0.4 39,-0.2 39,-0.2 -0.946 16.4-179.4-122.0 141.7 25.9 37.3 15.0 21 21 A G E -B 58 0B 13 37,-2.5 37,-2.7 -2,-0.4 -2,-0.0 -1.000 7.0-166.5-133.5 137.1 29.3 38.6 13.9 22 22 A S - 0 0 68 -2,-0.4 35,-0.2 35,-0.2 4,-0.1 -0.965 19.7-122.8-122.0 147.3 32.2 39.6 16.2 23 23 A P - 0 0 13 0, 0.0 30,-0.1 0, 0.0 34,-0.1 -0.361 22.0-117.4 -80.2 163.7 35.3 41.6 15.2 24 24 A A S S+ 0 0 117 28,-0.2 2,-0.8 1,-0.2 28,-0.0 0.834 105.8 64.7 -71.5 -24.3 38.9 40.3 15.6 25 25 A K S S- 0 0 174 31,-0.1 -1,-0.2 87,-0.0 87,-0.0 -0.820 88.2-152.9-101.5 110.4 39.5 43.1 18.0 26 26 A A + 0 0 50 -2,-0.8 2,-0.2 -4,-0.1 87,-0.1 -0.885 62.7 55.1-138.4 163.5 37.4 42.7 21.1 27 27 A P S S+ 0 0 78 0, 0.0 86,-0.2 0, 0.0 206,-0.2 0.567 78.2 159.0 -60.8 154.4 35.9 43.8 23.4 28 28 A A E -c 113 0B 4 84,-2.6 86,-2.0 -2,-0.2 87,-0.4 -0.953 47.4 -90.8-146.9 157.6 34.0 46.0 21.1 29 29 A P E - 0 0 3 0, 0.0 28,-2.6 0, 0.0 2,-0.5 -0.440 45.5-132.7 -68.6 155.0 30.6 47.8 21.2 30 30 A V E -cd 117 57B 0 86,-2.1 88,-2.3 26,-0.2 2,-0.6 -0.937 10.3-151.6-117.7 133.4 27.8 45.7 19.8 31 31 A I E -cd 118 58B 0 26,-2.9 28,-2.4 -2,-0.5 2,-0.5 -0.923 6.3-150.5-106.6 119.2 25.2 46.9 17.3 32 32 A V E -cd 119 59B 0 86,-3.1 88,-2.4 -2,-0.6 2,-0.5 -0.757 17.2-148.7 -81.6 128.3 21.8 45.2 17.3 33 33 A I E -c 120 0B 0 26,-2.7 2,-0.7 -2,-0.5 88,-0.2 -0.918 0.4-147.7-105.4 121.8 20.4 45.3 13.7 34 34 A A E -c 121 0B 0 86,-2.3 88,-2.0 -2,-0.5 91,-0.2 -0.841 24.0-133.5 -90.0 116.9 16.6 45.6 13.3 35 35 A Q - 0 0 0 -2,-0.7 90,-0.4 26,-0.4 5,-0.1 0.005 6.7-124.6 -60.8 166.8 15.6 43.8 10.2 36 36 A D > - 0 0 19 3,-0.4 3,-1.2 88,-0.2 -1,-0.1 -0.170 52.6 -72.9 -92.0-165.9 13.3 44.9 7.4 37 37 A I T 3 S+ 0 0 5 1,-0.3 51,-0.1 -2,-0.1 50,-0.1 0.473 123.3 71.1 -74.9 1.1 10.2 42.9 6.4 38 38 A F T 3 S- 0 0 18 1,-0.3 35,-3.0 35,-0.1 -1,-0.3 0.377 97.2-131.2-100.4 8.2 12.4 40.2 4.6 39 39 A G B < -H 72 0C 1 -3,-1.2 2,-1.5 33,-0.2 -3,-0.4 -0.353 59.8 -23.1 75.5-161.3 13.8 38.7 7.8 40 40 A V S S+ 0 0 1 31,-1.2 -1,-0.1 -5,-0.1 2,-0.1 -0.660 95.2 144.3 -92.3 90.1 17.4 37.9 8.5 41 41 A N > - 0 0 12 -2,-1.5 4,-2.5 32,-0.1 3,-0.2 -0.214 64.1 -61.3-117.8-163.0 18.5 37.7 4.9 42 42 A A H > S+ 0 0 72 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.881 130.4 49.8 -58.2 -38.0 21.3 38.5 2.5 43 43 A F H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.857 109.4 52.5 -72.6 -30.4 21.2 42.3 3.2 44 44 A M H > S+ 0 0 1 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.928 108.9 50.5 -66.8 -36.6 21.2 41.6 7.0 45 45 A R H X S+ 0 0 150 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.915 110.5 49.5 -63.4 -40.0 24.3 39.4 6.4 46 46 A E H X S+ 0 0 94 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.870 109.4 51.8 -63.5 -40.0 25.9 42.3 4.5 47 47 A T H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.887 109.4 49.5 -64.0 -43.5 25.0 44.7 7.3 48 48 A V H X S+ 0 0 12 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.938 113.1 47.3 -59.5 -45.6 26.7 42.4 9.8 49 49 A S H X S+ 0 0 48 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.921 110.2 52.2 -62.6 -43.5 29.8 42.2 7.6 50 50 A W H X S+ 0 0 42 -4,-2.9 4,-0.8 2,-0.2 -1,-0.2 0.946 114.0 42.8 -58.0 -46.9 29.9 46.0 7.1 51 51 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 3,-0.7 0.907 113.1 51.2 -71.5 -39.5 29.7 46.7 10.9 52 52 A V H ><5S+ 0 0 34 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.899 106.6 54.6 -61.6 -41.8 32.2 43.9 11.8 53 53 A D H 3<5S+ 0 0 126 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.723 106.8 53.5 -63.4 -22.0 34.7 45.3 9.2 54 54 A Q T <<5S- 0 0 94 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.367 129.2 -95.3 -92.6 3.5 34.3 48.7 11.0 55 55 A G T < 5S+ 0 0 26 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.534 85.6 117.5 98.2 7.1 35.2 47.2 14.4 56 56 A Y < - 0 0 3 -5,-2.5 -1,-0.3 -6,-0.1 2,-0.3 -0.669 59.5-130.6 -99.4 158.8 31.8 46.5 15.9 57 57 A A E - d 0 30B 0 -28,-2.6 -26,-2.9 -2,-0.3 2,-0.3 -0.752 30.7-155.9 -92.1 161.5 30.2 43.3 16.9 58 58 A A E -Bd 21 31B 0 -37,-2.7 -37,-2.5 -2,-0.3 2,-0.4 -0.998 17.8-170.3-142.6 145.1 26.7 42.9 15.5 59 59 A V E -Bd 20 32B 0 -28,-2.4 -26,-2.7 -2,-0.3 -39,-0.2 -0.983 2.0-172.5-135.3 116.2 23.6 40.9 16.4 60 60 A C E -B 19 0B 0 -41,-3.0 -41,-2.3 -2,-0.4 -26,-0.1 -0.900 20.6-151.0-111.8 100.5 20.6 40.7 14.0 61 61 A P E -B 18 0B 0 0, 0.0 2,-1.7 0, 0.0 -26,-0.4 -0.323 21.4-110.9 -74.8 150.2 17.7 39.0 15.9 62 62 A D > + 0 0 2 -45,-2.9 3,-1.9 1,-0.2 -45,-0.1 -0.591 38.7 175.9 -77.3 86.1 15.0 36.9 14.2 63 63 A L G > S+ 0 0 1 -2,-1.7 3,-0.6 1,-0.3 -1,-0.2 0.707 74.9 61.8 -70.3 -17.5 12.1 39.2 14.8 64 64 A Y G >> S+ 0 0 0 1,-0.2 4,-3.4 7,-0.2 3,-1.9 0.398 71.4 102.1 -85.6 9.4 9.8 36.9 12.8 65 65 A A G <4 S+ 0 0 12 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.676 74.5 59.7 -66.8 -20.5 10.3 34.1 15.2 66 66 A R G <4 S+ 0 0 83 -3,-0.6 -1,-0.3 2,-0.2 -2,-0.1 0.638 122.9 22.3 -74.7 -16.0 6.9 34.7 16.8 67 67 A Q T <4 S- 0 0 68 -3,-1.9 -2,-0.2 -4,-0.1 -1,-0.1 0.723 144.6 -7.6-111.6 -45.4 5.3 34.1 13.3 68 68 A A S >< S- 0 0 33 -4,-3.4 3,-1.5 3,-0.1 -2,-0.2 -0.549 74.5-137.9-161.6 85.7 7.7 32.0 11.2 69 69 A P T 3 S+ 0 0 102 0, 0.0 -4,-0.1 0, 0.0 -6,-0.0 -0.103 84.2 16.3 -54.5 140.9 11.1 31.4 12.7 70 70 A G T 3 S+ 0 0 39 1,-0.2 2,-0.1 -69,-0.1 -5,-0.0 0.547 78.7 165.7 77.7 9.7 14.1 31.7 10.3 71 71 A T < + 0 0 22 -3,-1.5 -31,-1.2 1,-0.0 2,-0.3 -0.320 4.3 169.6 -61.3 129.5 12.2 33.5 7.5 72 72 A A B -H 39 0C 43 -33,-0.2 2,-0.3 -2,-0.1 -33,-0.2 -0.842 12.7-169.3-148.3 100.1 14.7 34.9 5.1 73 73 A L - 0 0 20 -35,-3.0 -31,-0.2 -2,-0.3 -35,-0.1 -0.748 22.5-125.5-105.9 147.1 13.2 36.3 1.9 74 74 A D > - 0 0 70 -2,-0.3 3,-1.6 1,-0.1 6,-0.2 -0.738 12.7-153.0 -90.2 113.1 14.7 37.5 -1.4 75 75 A P T 3 S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.620 93.1 59.6 -63.7 -12.1 13.6 41.0 -2.3 76 76 A Q T 3 S+ 0 0 170 133,-0.0 2,-0.6 4,-0.0 -2,-0.0 0.682 88.0 86.2 -85.6 -14.8 14.0 40.3 -6.0 77 77 A D <> - 0 0 42 -3,-1.6 4,-2.4 1,-0.2 5,-0.2 -0.732 68.6-152.0 -94.3 119.9 11.5 37.5 -6.0 78 78 A E H > S+ 0 0 152 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.905 94.8 49.0 -57.1 -44.5 7.9 38.6 -6.4 79 79 A R H > S+ 0 0 200 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 111.7 49.5 -64.6 -36.7 6.3 35.8 -4.5 80 80 A Q H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.825 107.8 54.6 -73.7 -30.7 8.7 36.3 -1.6 81 81 A R H X S+ 0 0 77 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.912 107.3 51.1 -62.3 -43.7 8.0 40.0 -1.6 82 82 A E H X S+ 0 0 125 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.934 109.9 49.2 -57.8 -43.4 4.3 39.1 -1.3 83 83 A Q H X S+ 0 0 78 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.916 109.5 52.7 -61.3 -39.8 5.1 36.8 1.6 84 84 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.906 108.9 49.1 -61.8 -45.3 7.1 39.7 3.3 85 85 A Y H X S+ 0 0 99 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.875 110.0 51.1 -64.6 -36.1 4.2 42.1 3.0 86 86 A K H X S+ 0 0 148 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.925 111.7 47.0 -66.3 -42.4 1.9 39.6 4.5 87 87 A L H X S+ 0 0 17 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.903 111.2 52.9 -64.9 -37.0 4.2 39.0 7.5 88 88 A W H >< S+ 0 0 61 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.929 105.6 52.5 -64.8 -42.0 4.7 42.7 7.9 89 89 A Q H 3< S+ 0 0 168 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.817 114.0 43.5 -62.6 -32.0 0.9 43.3 8.1 90 90 A A H 3< S+ 0 0 71 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.432 88.5 124.7 -89.3 0.3 0.6 40.6 10.8 91 91 A F << - 0 0 21 -3,-1.3 2,-1.0 -4,-0.6 3,-0.1 -0.375 58.9-137.6 -72.9 132.0 3.7 41.9 12.7 92 92 A D > - 0 0 88 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 -0.723 15.9-168.3 -88.0 102.9 3.3 42.8 16.4 93 93 A M H > S+ 0 0 57 -2,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.894 84.0 52.3 -59.6 -43.2 5.3 46.0 16.7 94 94 A E H > S+ 0 0 169 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.929 111.4 46.8 -63.1 -41.1 5.2 46.0 20.5 95 95 A A H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.859 110.1 54.7 -68.8 -32.8 6.5 42.5 20.7 96 96 A G H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.901 107.2 49.8 -63.2 -43.6 9.2 43.4 18.1 97 97 A V H X S+ 0 0 9 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.936 111.8 48.7 -60.4 -44.4 10.3 46.3 20.4 98 98 A G H X S+ 0 0 18 -4,-2.3 4,-2.2 1,-0.2 -87,-0.2 0.881 109.9 50.9 -65.1 -36.2 10.5 43.9 23.3 99 99 A D H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.916 111.2 48.4 -67.5 -41.1 12.5 41.4 21.4 100 100 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.919 109.2 53.3 -63.2 -38.7 14.9 44.1 20.3 101 101 A E H X S+ 0 0 40 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.916 109.6 49.1 -63.2 -36.7 15.2 45.3 24.0 102 102 A A H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.881 110.5 49.9 -68.5 -38.6 16.0 41.6 24.9 103 103 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.880 109.0 52.8 -68.8 -33.1 18.7 41.5 22.2 104 104 A I H X S+ 0 0 3 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.926 109.4 48.1 -65.5 -41.2 20.1 44.8 23.4 105 105 A R H >< S+ 0 0 92 -4,-2.3 3,-1.3 1,-0.2 4,-0.5 0.924 112.0 50.4 -63.9 -44.5 20.4 43.3 27.0 106 106 A Y H >< S+ 0 0 34 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.908 104.9 57.9 -56.0 -44.0 22.0 40.2 25.5 107 107 A A H 3< S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.3 8,-0.4 0.632 93.8 68.7 -65.0 -14.3 24.5 42.4 23.6 108 108 A R T << S+ 0 0 74 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.727 109.1 29.7 -76.8 -19.1 25.7 44.0 26.8 109 109 A H S < S+ 0 0 132 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.1 -0.155 78.6 122.5-141.9 40.5 27.4 40.9 28.1 110 110 A Q S > S- 0 0 40 -3,-0.4 3,-1.9 1,-0.1 5,-0.1 -0.540 76.6 -97.5 -88.1 169.6 28.7 38.6 25.5 111 111 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -85,-0.0 0.841 126.2 44.1 -57.2 -34.6 32.4 37.6 25.4 112 112 A Y T 3 S+ 0 0 25 -85,-0.1 -84,-2.6 -86,-0.1 2,-0.3 0.408 91.5 114.8 -88.6 0.1 33.1 40.2 22.8 113 113 A S E < -c 28 0B 18 -3,-1.9 -5,-0.1 -86,-0.2 4,-0.1 -0.553 45.7-169.0 -81.9 137.7 31.0 43.0 24.4 114 114 A N E - 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