==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-OCT-00 1G42 . COMPND 2 MOLECULE: 1,3,4,6-TETRACHLORO-1,4-CYCLOHEXADIENE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS PAUCIMOBILIS; . AUTHOR A.J.OAKLEY,Z.PROKOP,M.BOHAC,J.KMUNICEK,T.JEDLICKA, . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.7 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 . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 2 1 0 0 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 1 0 1 1 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 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 3 A L 0 0 120 0, 0.0 2,-0.2 0, 0.0 274,-0.0 0.000 360.0 360.0 360.0-133.6 19.8 32.7 8.1 2 4 A G - 0 0 31 1,-0.1 43,-0.1 0, 0.0 42,-0.0 -0.451 360.0-142.3 145.6 140.6 17.2 32.2 5.4 3 5 A A S S+ 0 0 29 -2,-0.2 -1,-0.1 2,-0.1 184,-0.1 0.530 70.8 104.5-100.8 -10.6 13.5 31.8 4.9 4 6 A K S S- 0 0 167 1,-0.1 180,-0.0 40,-0.0 179,-0.0 -0.515 76.2-113.9 -75.2 137.3 13.7 29.4 2.0 5 7 A P - 0 0 70 0, 0.0 -1,-0.1 0, 0.0 36,-0.1 -0.187 24.5-116.7 -66.1 161.4 12.9 25.7 2.8 6 8 A F S S- 0 0 59 34,-0.1 2,-0.1 2,-0.0 35,-0.0 0.998 78.7 -12.6 -63.5 -79.6 15.7 23.1 2.6 7 9 A G S S- 0 0 17 1,-0.1 2,-0.3 17,-0.0 17,-0.1 -0.357 87.8 -71.1-112.1-165.3 14.7 20.7 -0.1 8 10 A E - 0 0 114 -2,-0.1 15,-0.5 15,-0.1 2,-0.2 -0.708 52.5-107.7 -92.5 144.7 11.5 19.9 -2.0 9 11 A K - 0 0 56 -2,-0.3 2,-0.3 13,-0.1 13,-0.2 -0.487 33.1-163.5 -73.8 135.7 8.7 18.2 -0.1 10 12 A K E -A 21 0A 75 11,-3.1 11,-2.2 -2,-0.2 2,-0.4 -0.854 6.3-145.8-115.6 153.1 8.0 14.6 -1.0 11 13 A F E +A 20 0A 99 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.936 16.4 176.3-126.4 148.0 4.8 12.7 -0.2 12 14 A I E -A 19 0A 45 7,-2.0 7,-2.7 -2,-0.4 2,-0.5 -0.996 32.8-112.9-147.8 142.7 4.0 9.2 0.8 13 15 A E E +A 18 0A 134 -2,-0.3 2,-0.4 5,-0.2 5,-0.3 -0.662 35.5 178.3 -81.8 123.0 0.7 7.4 1.8 14 16 A I E > -A 17 0A 9 3,-3.7 3,-2.3 -2,-0.5 76,-0.1 -0.988 67.2 -21.3-129.2 123.3 0.7 6.2 5.4 15 17 A K T 3 S- 0 0 123 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.863 128.6 -49.6 47.8 42.6 -2.3 4.4 7.0 16 18 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.3 -3,-0.0 2,-0.3 0.577 124.8 97.7 76.6 8.5 -4.6 5.9 4.4 17 19 A R E < S-A 14 0A 63 -3,-2.3 -3,-3.7 51,-0.0 2,-0.5 -0.804 73.8-117.9-123.2 166.0 -3.2 9.4 4.9 18 20 A R E -A 13 0A 111 -2,-0.3 50,-3.2 -5,-0.3 2,-0.4 -0.928 27.6-169.7-110.4 123.0 -0.6 11.4 3.1 19 21 A M E -A 12 0A 0 -7,-2.7 -7,-2.0 -2,-0.5 2,-0.3 -0.899 10.4-143.0-112.7 142.4 2.5 12.5 5.0 20 22 A A E +A 11 0A 0 -2,-0.4 40,-2.8 40,-0.3 2,-0.3 -0.760 27.1 154.4-105.2 149.9 5.1 15.0 3.8 21 23 A Y E -AB 10 59A 25 -11,-2.2 -11,-3.1 -2,-0.3 2,-0.4 -0.985 39.0-115.0-164.2 165.4 8.9 15.0 4.3 22 24 A I E + B 0 58A 2 36,-2.2 36,-1.8 -2,-0.3 2,-0.3 -0.915 28.8 175.5-109.5 136.4 12.2 16.0 3.0 23 25 A D E + B 0 57A 20 -15,-0.5 2,-0.4 -2,-0.4 34,-0.2 -0.815 10.4 162.9-146.0 98.5 14.6 13.3 1.8 24 26 A E E + B 0 56A 49 32,-2.5 32,-3.0 -2,-0.3 2,-0.1 -0.967 41.5 4.5-125.1 135.2 17.9 14.6 0.2 25 27 A G S S- 0 0 52 -2,-0.4 2,-0.3 30,-0.2 30,-0.2 -0.313 73.3 -86.5 94.0-178.6 21.2 12.7 -0.5 26 28 A T S S+ 0 0 125 28,-0.2 2,-0.2 -2,-0.1 26,-0.0 -0.852 71.1 47.1-130.4 165.4 22.4 9.2 -0.0 27 29 A G S S- 0 0 54 -2,-0.3 27,-0.1 27,-0.2 26,-0.1 -0.645 96.5 -5.6 105.7-163.9 23.9 7.0 2.7 28 30 A D S S- 0 0 65 -2,-0.2 27,-1.5 25,-0.2 72,-0.1 -0.460 84.3-102.1 -69.5 138.5 22.9 6.4 6.3 29 31 A P E -c 55 0A 2 0, 0.0 72,-2.1 0, 0.0 2,-0.5 -0.229 21.7-162.5 -65.1 147.3 20.1 8.8 7.5 30 32 A I E -cd 56 101A 0 25,-2.4 27,-2.3 70,-0.2 2,-0.6 -0.966 26.8-158.9-126.3 101.3 20.5 11.9 9.6 31 33 A L E -cd 57 102A 0 70,-3.1 72,-2.9 -2,-0.5 2,-0.6 -0.825 9.8-165.0 -97.4 112.9 16.9 12.2 10.7 32 34 A F E -cd 58 103A 0 25,-3.4 27,-0.7 -2,-0.6 2,-0.5 -0.841 6.3-169.8 -99.2 121.3 15.7 15.6 11.9 33 35 A Q E -cd 59 104A 1 70,-2.6 72,-1.2 -2,-0.6 75,-0.2 -0.925 4.6-157.0-120.6 117.2 12.4 15.6 13.9 34 36 A H - 0 0 0 -2,-0.5 2,-0.1 25,-0.5 6,-0.1 -0.215 6.6-157.4 -77.8 171.4 10.5 18.8 14.8 35 37 A G > + 0 0 0 72,-0.2 3,-1.1 4,-0.2 71,-0.1 -0.193 43.1 6.4-125.2-144.1 8.0 19.3 17.6 36 38 A N T 3 S- 0 0 3 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.765 121.9 -9.7 -98.6 134.2 5.1 21.7 18.4 37 39 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 165,-0.1 -0.571 116.8 79.8-109.9 50.2 4.0 23.8 16.6 38 40 A T < - 0 0 3 -3,-1.1 27,-0.3 26,-0.1 2,-0.3 0.029 53.0-154.8 -98.0-155.9 6.7 23.6 13.9 39 41 A S > - 0 0 8 25,-0.1 3,-2.2 21,-0.1 4,-0.3 -0.875 53.7 -58.9-162.5-169.7 7.5 21.3 10.9 40 42 A S G > S+ 0 0 2 1,-0.3 3,-1.9 -2,-0.3 4,-0.2 0.793 122.2 77.5 -55.7 -26.8 10.4 20.2 8.8 41 43 A Y G > S+ 0 0 18 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.781 77.0 73.9 -53.7 -29.7 10.8 23.9 8.0 42 44 A L G < S+ 0 0 2 -3,-2.2 3,-0.3 1,-0.3 -1,-0.3 0.807 98.2 45.4 -55.4 -32.2 12.4 24.3 11.5 43 45 A W G X> S+ 0 0 0 -3,-1.9 4,-2.7 -4,-0.3 3,-1.7 0.334 76.5 113.4 -96.9 7.4 15.6 22.6 10.3 44 46 A R T <4 S+ 0 0 5 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.780 84.8 37.1 -50.4 -37.5 16.0 24.5 6.9 45 47 A N T 34 S+ 0 0 25 -3,-0.3 -1,-0.3 -4,-0.2 236,-0.1 0.426 118.7 50.2 -97.1 0.3 19.2 26.3 7.9 46 48 A I T X4 S+ 0 0 1 -3,-1.7 3,-1.5 2,-0.1 4,-0.4 0.812 97.8 62.1-102.1 -44.1 20.7 23.4 9.9 47 49 A M G >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 -3,-0.1 0.820 91.7 67.9 -53.8 -35.7 20.4 20.5 7.5 48 50 A P G > S+ 0 0 56 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.828 89.3 65.0 -56.0 -32.5 22.7 22.2 4.9 49 51 A H G < S+ 0 0 59 -3,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.706 98.7 54.4 -63.8 -19.4 25.6 21.8 7.3 50 52 A C G X S+ 0 0 0 -3,-1.9 3,-2.4 -4,-0.4 4,-0.4 0.226 76.4 145.6 -99.0 13.8 25.3 18.0 6.9 51 53 A A T < S+ 0 0 63 -3,-1.8 4,-0.1 1,-0.3 -26,-0.1 -0.269 74.9 6.9 -53.9 129.8 25.5 18.1 3.1 52 54 A G T 3 S+ 0 0 82 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.414 105.0 97.2 77.9 -2.8 27.3 15.0 1.9 53 55 A L S < S- 0 0 36 -3,-2.4 2,-0.3 1,-0.3 -25,-0.2 0.507 98.0 -52.5 -94.3 -6.3 27.5 13.4 5.3 54 56 A G S S- 0 0 6 -4,-0.4 2,-0.8 -27,-0.1 -2,-0.4 -0.979 80.7 -37.7 162.2-171.9 24.4 11.2 4.7 55 57 A R E - c 0 29A 40 -27,-1.5 -25,-2.4 -2,-0.3 2,-0.7 -0.747 57.3-145.8 -84.4 109.9 20.8 11.0 3.7 56 58 A L E +Bc 24 30A 7 -32,-3.0 -32,-2.5 -2,-0.8 2,-0.4 -0.708 24.7 176.0 -86.3 112.4 19.1 14.2 5.1 57 59 A I E +Bc 23 31A 0 -27,-2.3 -25,-3.4 -2,-0.7 2,-0.3 -0.936 16.3 171.8-122.8 139.3 15.6 13.5 6.2 58 60 A A E -Bc 22 32A 0 -36,-1.8 -36,-2.2 -2,-0.4 2,-0.3 -0.898 17.0-159.2-146.0 110.7 13.0 15.7 8.0 59 61 A C E -Bc 21 33A 0 -27,-0.7 2,-0.6 -2,-0.3 -25,-0.5 -0.670 15.8-131.3 -95.9 147.6 9.4 14.5 8.4 60 62 A D - 0 0 0 -40,-2.8 -40,-0.3 -2,-0.3 3,-0.1 -0.854 33.1-121.4 -94.0 120.2 6.3 16.6 9.0 61 63 A L > - 0 0 1 -2,-0.6 3,-2.3 1,-0.1 6,-0.3 -0.206 43.7 -78.8 -58.0 153.2 4.3 15.1 11.8 62 64 A I T 3 S+ 0 0 1 1,-0.3 7,-0.1 21,-0.2 -1,-0.1 -0.232 121.2 17.3 -54.5 139.4 0.7 14.0 11.0 63 65 A G T 3 S+ 0 0 0 5,-2.1 2,-0.3 1,-0.2 -1,-0.3 0.488 116.4 88.5 75.4 2.1 -1.6 17.1 11.0 64 66 A M S X S- 0 0 0 -3,-2.3 3,-2.5 4,-0.2 -1,-0.2 -0.846 85.0 -4.6-129.2 165.1 1.4 19.4 10.7 65 67 A G T 3 S- 0 0 10 -27,-0.3 -26,-0.1 -2,-0.3 -44,-0.0 -0.286 129.5 -27.3 54.0-132.7 3.5 21.0 8.0 66 68 A D T 3 S+ 0 0 67 -46,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.293 109.8 115.0 -96.1 9.5 2.3 19.5 4.7 67 69 A S S < S- 0 0 6 -3,-2.5 -48,-0.2 -6,-0.3 -6,-0.1 -0.487 75.6 -91.4 -78.9 151.5 1.1 16.3 6.2 68 70 A D - 0 0 56 -50,-3.2 -5,-2.1 -2,-0.1 -4,-0.2 -0.170 35.5-117.8 -60.7 152.1 -2.7 15.5 6.1 69 71 A K - 0 0 48 -7,-0.1 2,-0.9 -6,-0.1 -51,-0.1 -0.538 26.2-118.4 -85.3 157.0 -5.0 16.4 8.9 70 72 A L - 0 0 0 -2,-0.2 -1,-0.0 -8,-0.1 -53,-0.0 -0.786 40.1-136.4-102.4 92.6 -6.8 13.6 10.7 71 73 A D S S+ 0 0 100 -2,-0.9 2,-0.1 1,-0.2 3,-0.0 -0.756 86.3 43.7 -97.9 142.1 -10.5 14.0 10.1 72 74 A P S S- 0 0 111 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.389 89.2-173.9 -75.4 132.3 -12.8 13.8 12.0 73 75 A S + 0 0 22 -2,-0.1 124,-0.1 4,-0.1 -2,-0.1 -0.613 16.7 131.7 -94.6 155.9 -10.6 15.7 14.4 74 76 A G > - 0 0 15 -2,-0.2 3,-1.9 123,-0.1 0, 0.0 -0.958 68.8 -52.6-176.3-171.5 -11.4 16.5 18.1 75 77 A P T 3 S+ 0 0 94 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.744 130.0 50.8 -54.5 -28.3 -10.2 16.4 21.7 76 78 A E T 3 S+ 0 0 189 3,-0.0 3,-0.5 2,-0.0 2,-0.2 0.503 94.1 94.0 -90.7 -5.3 -9.2 12.8 21.4 77 79 A R S < S+ 0 0 52 -3,-1.9 -4,-0.1 1,-0.2 127,-0.0 -0.553 77.6 24.2 -91.0 153.8 -7.2 13.2 18.2 78 80 A Y S S+ 0 0 0 -2,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.766 76.0 155.6 69.0 29.4 -3.4 13.8 17.9 79 81 A A > - 0 0 28 -3,-0.5 4,-2.2 1,-0.1 3,-0.4 -0.379 61.0 -97.2 -77.2 166.0 -2.4 12.3 21.2 80 82 A Y H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.900 123.2 55.0 -51.1 -48.0 1.2 11.0 21.5 81 83 A A H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.878 108.8 47.5 -55.8 -41.8 0.2 7.4 20.7 82 84 A E H > S+ 0 0 38 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.928 111.8 49.5 -67.7 -44.5 -1.5 8.4 17.5 83 85 A H H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.905 110.3 52.7 -59.6 -40.9 1.5 10.5 16.3 84 86 A R H X S+ 0 0 52 -4,-2.8 4,-2.9 -5,-0.2 5,-0.3 0.898 104.6 54.4 -62.9 -41.4 3.7 7.6 17.2 85 87 A D H X S+ 0 0 86 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.914 113.9 41.5 -60.5 -41.7 1.7 5.2 15.1 86 88 A Y H X S+ 0 0 17 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.908 116.6 46.8 -72.9 -41.9 2.0 7.4 12.0 87 89 A L H X S+ 0 0 3 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.896 110.4 53.2 -67.5 -39.1 5.7 8.3 12.5 88 90 A D H X S+ 0 0 39 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.933 111.9 46.2 -59.1 -46.0 6.7 4.7 13.1 89 91 A A H X S+ 0 0 32 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.859 112.9 49.1 -66.1 -37.0 5.0 3.7 9.9 90 92 A L H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.943 111.5 48.5 -68.2 -47.1 6.6 6.6 7.9 91 93 A W H <>S+ 0 0 1 -4,-2.9 5,-0.7 1,-0.2 4,-0.2 0.836 112.2 49.9 -62.2 -32.4 10.1 5.8 9.2 92 94 A E H ><5S+ 0 0 126 -4,-1.8 3,-1.5 -5,-0.2 -1,-0.2 0.928 109.3 51.6 -70.1 -45.1 9.5 2.2 8.3 93 95 A A H 3<5S+ 0 0 50 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.738 101.2 62.4 -63.9 -25.0 8.4 3.1 4.8 94 96 A L T 3<5S- 0 0 7 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.541 100.8-133.0 -80.6 -6.0 11.5 5.3 4.3 95 97 A D T < 5 + 0 0 130 -3,-1.5 -3,-0.1 -4,-0.2 -2,-0.1 0.969 32.5 179.1 51.7 66.0 13.8 2.3 4.6 96 98 A L < - 0 0 4 -5,-0.7 3,-0.4 1,-0.2 -1,-0.1 0.657 22.6-145.0 -72.9 -21.0 16.3 4.0 7.0 97 99 A G - 0 0 34 1,-0.2 -1,-0.2 -69,-0.1 3,-0.2 -0.391 34.8 -66.3 84.4-166.9 18.7 1.1 7.5 98 100 A D S S+ 0 0 103 1,-0.2 -1,-0.2 -2,-0.1 -70,-0.0 0.130 115.1 66.7-115.1 21.8 20.5 0.3 10.8 99 101 A R + 0 0 88 -3,-0.4 2,-0.3 24,-0.1 24,-0.2 -0.466 66.8 162.4-136.1 62.2 22.9 3.2 11.3 100 102 A V E - e 0 123A 0 22,-3.2 24,-2.2 -3,-0.2 25,-1.3 -0.651 27.9-154.9 -88.9 136.4 20.5 6.2 11.9 101 103 A V E -de 30 125A 0 -72,-2.1 -70,-3.1 -2,-0.3 2,-0.4 -0.953 15.7-153.9-109.5 122.1 21.5 9.5 13.5 102 104 A L E -de 31 126A 1 23,-2.5 25,-3.5 -2,-0.6 2,-0.5 -0.787 12.7-170.8 -98.6 139.6 18.6 11.3 15.1 103 105 A V E +de 32 127A 0 -72,-2.9 -70,-2.6 -2,-0.4 2,-0.3 -0.966 25.3 179.3-127.9 108.3 18.5 15.0 15.6 104 106 A V E +de 33 128A 0 23,-2.7 25,-1.2 -2,-0.5 2,-0.3 -0.795 20.5 179.7-122.6 160.6 15.5 15.9 17.8 105 107 A H E > - e 0 129A 0 -72,-1.2 3,-2.3 -2,-0.3 4,-0.5 -0.988 57.3 -33.0-154.0 141.1 13.6 18.8 19.5 106 108 A D E >> S- e 0 131A 16 24,-2.0 3,-1.4 23,-0.7 4,-1.2 -0.154 132.1 -1.8 49.2-127.2 10.6 19.2 21.7 107 109 A W H 3> S+ 0 0 3 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.749 130.3 66.3 -66.5 -20.9 8.0 16.5 20.8 108 110 A G H <> S+ 0 0 0 -3,-2.3 4,-2.5 1,-0.2 -1,-0.3 0.794 101.1 50.9 -68.0 -25.6 10.3 15.2 18.1 109 111 A S H <> S+ 0 0 0 -3,-1.4 4,-3.4 -4,-0.5 5,-0.3 0.860 107.4 50.1 -78.9 -37.4 12.6 14.2 20.9 110 112 A A H X S+ 0 0 1 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.947 118.5 40.6 -63.5 -46.1 9.9 12.4 22.9 111 113 A L H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.928 119.3 45.8 -65.5 -47.0 9.0 10.5 19.7 112 114 A G H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.876 112.3 49.2 -66.0 -40.7 12.6 10.1 18.7 113 115 A F H X S+ 0 0 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