==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-OCT-05 2BDZ . COMPND 2 MOLECULE: MEXICAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: JACARATIA MEXICANA; . AUTHOR J.A.GAVIRA,M.C.OLIVER-SALVADOR,L.A.GONZALEZ-RAMIREZ,M.SORIAN . 848 4 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 526 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 18.4 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 . 69 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 4 0 0 4 0 0 4 4 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 24 5 0 7 9 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 1 0 0 0 0 0 4 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 Y 0 0 140 0, 0.0 122,-0.1 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0 147.6 34.5 29.4 4.6 2 2 A P - 0 0 63 0, 0.0 3,-0.1 0, 0.0 124,-0.0 -0.347 360.0-112.5 -65.2 154.3 30.9 30.2 3.4 3 3 A E S S+ 0 0 149 1,-0.1 2,-0.3 -2,-0.0 0, 0.0 0.831 97.0 0.3 -56.2 -35.4 29.7 33.8 3.8 4 4 A S - 0 0 69 163,-0.1 2,-0.3 164,-0.1 163,-0.2 -0.979 63.1-170.2-148.9 160.5 27.2 32.5 6.3 5 5 A I E -A 166 0A 19 161,-1.9 161,-1.7 -2,-0.3 2,-0.4 -0.982 8.4-168.4-150.5 145.6 26.0 29.3 8.0 6 6 A D E > -A 165 0A 46 -2,-0.3 4,-1.8 159,-0.2 159,-0.2 -0.905 3.8-169.0-133.7 105.7 23.1 28.2 10.2 7 7 A W T 4>S+ 0 0 25 157,-2.5 5,-3.4 -2,-0.4 6,-0.4 0.689 88.9 63.7 -67.4 -19.8 23.5 24.8 11.7 8 8 A R T >45S+ 0 0 94 156,-0.3 3,-1.7 3,-0.2 5,-0.3 0.968 106.3 43.1 -61.6 -54.4 19.8 25.0 12.8 9 9 A E T 345S+ 0 0 111 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.826 110.5 55.9 -60.0 -35.8 18.9 25.1 9.1 10 10 A K T 3<5S- 0 0 126 -4,-1.8 -1,-0.3 1,-0.0 -2,-0.2 0.451 119.0-115.8 -76.5 -0.3 21.5 22.3 8.4 11 11 A G T < 5S+ 0 0 27 -3,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.719 83.7 117.3 77.5 24.2 19.6 20.3 11.1 12 12 A A < + 0 0 2 -5,-3.4 2,-0.4 152,-0.1 -4,-0.2 0.194 56.3 79.1-108.0 14.5 22.5 20.1 13.6 13 13 A V - 0 0 20 -6,-0.4 3,-0.1 -5,-0.3 34,-0.1 -0.989 64.3-148.1-131.9 128.6 20.8 22.0 16.4 14 14 A T - 0 0 5 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.382 44.6 -69.0 -85.1 166.2 18.2 20.7 19.0 15 15 A P - 0 0 101 0, 0.0 -1,-0.2 0, 0.0 170,-0.1 -0.162 65.2 -87.7 -49.9 150.3 15.4 22.8 20.5 16 16 A V - 0 0 27 168,-0.2 2,-0.2 -3,-0.1 160,-0.1 -0.346 47.5-152.1 -60.6 141.2 16.5 25.5 23.0 17 17 A K - 0 0 19 158,-0.4 161,-2.3 161,-0.2 2,-0.5 -0.624 9.2-129.5-111.9 171.2 16.9 24.3 26.6 18 18 A N B +I 177 0B 12 159,-0.2 159,-0.2 -2,-0.2 158,-0.1 -0.939 18.5 179.4-128.4 108.6 16.5 26.0 30.0 19 19 A Q > + 0 0 9 157,-2.7 3,-1.4 -2,-0.5 5,-0.2 0.704 36.3 164.0 -72.6 -22.8 19.3 25.5 32.5 20 20 A N T 3 + 0 0 28 156,-0.4 -2,-0.1 1,-0.3 309,-0.1 -0.097 55.2 7.4 -63.1 145.6 17.6 27.8 35.1 21 21 A P T 3 S+ 0 0 41 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 -0.968 112.7 82.4 -94.0 11.7 18.0 28.1 38.0 22 22 A a S < S- 0 0 0 -3,-1.4 2,-2.3 1,-0.1 42,-0.1 -0.602 74.2-134.6 -79.6 127.2 21.2 25.9 38.0 23 23 A G B +j 64 0C 28 40,-1.1 42,-0.5 -2,-0.4 3,-0.3 -0.344 63.4 127.1 -76.9 59.9 24.4 27.7 36.9 24 24 A S >> + 0 0 0 -2,-2.3 4,-1.5 1,-0.2 3,-1.3 -0.051 12.8 132.5-112.1 33.1 25.4 24.8 34.6 25 25 A C H 3> + 0 0 15 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.818 67.8 66.4 -51.1 -37.5 26.0 26.7 31.3 26 26 A W H 3> S+ 0 0 2 -3,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.891 104.6 44.4 -51.2 -42.6 29.4 24.8 31.0 27 27 A A H <> S+ 0 0 0 -3,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.886 113.6 48.9 -71.4 -42.9 27.4 21.5 30.5 28 28 A F H X S+ 0 0 10 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.926 111.2 50.5 -62.7 -45.8 24.8 23.1 28.1 29 29 A S H X S+ 0 0 1 -4,-3.1 4,-1.4 131,-0.3 -2,-0.2 0.941 114.7 43.0 -55.9 -52.2 27.5 24.6 26.0 30 30 A T H >X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 3,-0.5 0.948 112.7 51.4 -61.6 -50.3 29.4 21.3 25.7 31 31 A V H 3X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.3 5,-0.2 0.894 106.6 54.8 -57.8 -41.2 26.3 19.1 25.1 32 32 A A H 3X S+ 0 0 10 -4,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.859 107.9 49.5 -62.6 -34.4 25.1 21.4 22.3 33 33 A T H S+ 0 0 7 -4,-2.5 4,-3.4 -5,-0.2 6,-0.6 0.937 109.4 45.0 -56.2 -47.9 27.1 13.8 16.2 39 39 A K H X5S+ 0 0 55 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.920 111.3 52.5 -60.6 -47.3 24.6 15.0 13.5 40 40 A I H <5S+ 0 0 59 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.896 121.6 31.9 -56.5 -41.8 27.3 16.1 11.2 41 41 A I H <5S+ 0 0 94 -4,-2.5 -2,-0.2 3,-0.1 -1,-0.2 0.880 134.4 23.3 -85.7 -42.2 29.1 12.7 11.4 42 42 A T H <5S- 0 0 59 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.574 94.3-121.2-107.0 -12.9 26.2 10.2 11.9 43 43 A G S < + 0 0 0 32,-2.4 4,-1.1 1,-0.2 3,-0.2 -0.694 33.6 170.2 -97.7 101.8 22.2 14.8 28.7 50 50 A E H > S+ 0 0 4 -2,-0.9 4,-2.7 1,-0.2 -1,-0.2 0.870 86.4 64.3 -61.1 -36.8 23.4 18.0 30.5 51 51 A Q H > S+ 0 0 1 35,-0.5 4,-3.0 1,-0.2 5,-0.2 0.862 96.3 55.0 -57.7 -39.0 22.3 16.2 33.8 52 52 A E H > S+ 0 0 1 34,-0.4 4,-2.6 2,-0.2 5,-0.4 0.938 111.0 43.9 -58.8 -50.2 25.0 13.5 33.2 53 53 A L H X S+ 0 0 0 -4,-1.1 4,-2.7 3,-0.2 -2,-0.2 0.933 114.5 51.4 -56.9 -49.0 27.8 16.1 33.0 54 54 A L H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.926 120.1 33.5 -51.1 -52.3 26.3 17.9 36.0 55 55 A D H < S+ 0 0 0 -4,-3.0 40,-0.4 -5,-0.2 -1,-0.2 0.777 131.4 30.0 -76.8 -29.5 26.1 14.7 38.1 56 56 A b H < S+ 0 0 24 -4,-2.6 2,-1.1 -5,-0.2 -3,-0.2 0.645 99.9 74.3-113.7 -22.3 29.2 13.0 36.8 57 57 A E >< + 0 0 10 -4,-2.7 3,-0.5 -5,-0.4 5,-0.4 -0.725 54.3 165.0 -99.9 87.9 31.8 15.6 35.7 58 58 A R T 3 + 0 0 49 -2,-1.1 -1,-0.1 1,-0.2 -4,-0.1 -0.011 58.1 79.4-106.4 27.8 33.0 16.8 39.1 59 59 A R T 3 S+ 0 0 100 8,-0.1 -1,-0.2 674,-0.1 2,-0.1 0.722 94.1 65.1 -81.9 -37.0 36.1 18.6 38.2 60 60 A S S < S- 0 0 0 -3,-0.5 6,-0.3 -7,-0.1 3,-0.1 -0.393 100.9-117.1 -72.1 163.4 33.6 21.3 37.2 61 61 A H > - 0 0 14 4,-2.6 3,-2.2 1,-0.3 670,-0.3 -0.176 34.5-129.3-107.1 40.9 31.6 22.7 40.2 62 62 A G T > S- 0 0 0 -5,-0.4 3,-1.2 1,-0.3 -1,-0.3 -0.283 85.4 -2.4 58.6-127.2 28.0 21.6 39.3 63 63 A a T 3 S+ 0 0 17 1,-0.3 -40,-1.1 -3,-0.1 -1,-0.3 0.506 128.6 69.8 -75.8 -5.6 25.4 24.5 39.5 64 64 A D B < S-j 23 0C 46 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.286 116.2 -91.9 -92.1 7.6 28.3 26.8 40.7 65 65 A G < - 0 0 18 -3,-1.2 -4,-2.6 -42,-0.5 -1,-0.3 -0.227 45.3-158.7 108.1 166.5 29.9 26.7 37.2 66 66 A G - 0 0 30 -6,-0.3 2,-0.3 -5,-0.1 -6,-0.1 -0.832 19.4 -75.5-162.7-160.3 32.5 24.6 35.3 67 67 A Y > - 0 0 98 -2,-0.2 4,-1.4 1,-0.1 5,-0.2 -0.863 14.6-142.2-126.7 147.7 35.0 24.2 32.4 68 68 A Q H > S+ 0 0 20 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.899 103.2 49.6 -72.7 -42.8 34.9 23.6 28.7 69 69 A T H > S+ 0 0 50 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.928 112.4 44.4 -64.9 -49.5 38.0 21.3 28.7 70 70 A T H > S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 116.0 47.5 -64.3 -41.7 36.9 19.0 31.6 71 71 A S H X S+ 0 0 0 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.908 114.4 46.1 -67.8 -41.4 33.3 18.7 30.2 72 72 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.915 112.1 51.6 -64.1 -43.2 34.5 17.9 26.7 73 73 A Q H X S+ 0 0 73 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.844 102.3 61.8 -58.9 -36.6 37.1 15.4 28.0 74 74 A Y H X S+ 0 0 21 -4,-1.9 4,-2.5 1,-0.2 5,-0.4 0.933 104.6 46.5 -55.9 -46.4 34.3 13.8 30.0 75 75 A V H X S+ 0 0 0 -4,-1.3 4,-1.8 3,-0.2 32,-0.7 0.849 110.7 52.6 -69.4 -35.4 32.5 12.9 26.7 76 76 A V H < S+ 0 0 32 -4,-1.6 -1,-0.2 30,-0.2 -2,-0.2 0.937 118.3 37.3 -56.8 -49.5 35.7 11.6 25.2 77 77 A D H < S+ 0 0 101 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.812 139.3 9.5 -74.6 -32.2 36.3 9.3 28.2 78 78 A N H < S- 0 0 75 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.538 86.8-138.0-129.8 -16.7 32.7 8.3 28.9 79 79 A G < - 0 0 0 -4,-1.8 2,-0.3 -5,-0.4 27,-0.2 -0.129 29.2 -96.8 66.3-177.4 30.4 9.4 26.1 80 80 A V E -N 105 0F 0 25,-1.6 25,-2.0 -5,-0.1 -30,-0.1 -1.000 21.9-127.9-144.3 141.2 27.0 10.8 27.1 81 81 A H E -N 104 0F 2 -2,-0.3 -32,-2.4 23,-0.2 23,-0.2 -0.255 38.8 -89.8 -76.3 167.0 23.4 9.5 27.4 82 82 A T B > -M 48 0E 12 21,-0.8 4,-2.0 -34,-0.3 -34,-0.3 -0.439 29.3-120.8 -71.9 153.8 20.3 11.0 25.8 83 83 A E T 4 S+ 0 0 60 -36,-2.6 -35,-0.2 2,-0.2 -1,-0.1 0.859 114.2 61.5 -58.3 -38.3 18.3 13.7 27.7 84 84 A R T 4 S+ 0 0 92 -37,-0.6 -1,-0.2 1,-0.2 -36,-0.1 0.925 111.3 36.9 -57.1 -47.2 15.3 11.3 27.4 85 85 A E T 4 S+ 0 0 50 1,-0.2 -1,-0.2 18,-0.1 -2,-0.2 0.821 131.8 29.7 -74.1 -31.7 17.2 8.6 29.5 86 86 A Y S < S- 0 0 1 -4,-2.0 -35,-0.5 14,-0.0 -34,-0.4 -0.703 86.9-168.9-132.5 76.5 18.9 11.1 31.8 87 87 A P - 0 0 62 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.262 29.6 -90.8 -74.4 156.4 16.7 14.2 32.2 88 88 A Y - 0 0 35 1,-0.1 -39,-0.0 2,-0.1 -5,-0.0 -0.411 33.7-180.0 -68.5 133.6 17.5 17.6 33.7 89 89 A E - 0 0 63 2,-0.2 -1,-0.1 -2,-0.2 319,-0.1 0.294 41.5-122.7-117.7 4.4 16.8 17.9 37.4 90 90 A K S S+ 0 0 19 -68,-0.1 2,-0.3 1,-0.0 -67,-0.1 0.637 87.0 58.3 65.3 17.4 18.0 21.5 37.8 91 91 A K S S- 0 0 87 -69,-0.1 -2,-0.2 317,-0.0 2,-0.1 -0.946 94.2 -87.7-169.3 151.0 20.5 20.5 40.5 92 92 A Q + 0 0 4 -2,-0.3 2,-0.2 608,-0.2 608,-0.1 -0.425 51.9 163.7 -66.7 137.3 23.5 18.1 41.0 93 93 A G - 0 0 8 -42,-0.2 3,-0.0 -2,-0.1 611,-0.0 -0.751 46.0 -45.4-139.6-175.3 22.6 14.5 42.1 94 94 A R - 0 0 133 -2,-0.2 2,-0.7 1,-0.1 -39,-0.1 -0.324 63.6-107.1 -58.7 136.2 24.2 11.1 42.2 95 95 A b + 0 0 48 -40,-0.4 3,-0.2 1,-0.2 -1,-0.1 -0.587 43.6 173.7 -66.9 112.3 26.1 10.2 39.0 96 96 A R >> + 0 0 48 -2,-0.7 4,-1.1 1,-0.2 3,-0.6 0.149 40.4 114.7-109.4 14.3 23.7 7.6 37.5 97 97 A A T 34 S+ 0 0 16 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.865 77.7 49.3 -54.5 -43.3 25.6 7.1 34.2 98 98 A K T 34 S+ 0 0 123 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.776 106.7 56.5 -69.1 -28.6 26.5 3.5 35.0 99 99 A D T <4 S+ 0 0 98 -3,-0.6 2,-0.4 -4,-0.1 -1,-0.2 0.705 92.9 82.6 -74.9 -24.0 22.8 2.7 35.9 100 100 A K < + 0 0 50 -4,-1.1 -14,-0.0 -3,-0.4 -15,-0.0 -0.704 51.4 177.0 -86.2 133.3 21.6 3.9 32.5 101 101 A K + 0 0 99 -2,-0.4 -1,-0.1 -16,-0.0 3,-0.1 0.379 43.9 106.6-117.3 1.9 22.0 1.3 29.7 102 102 A G S S- 0 0 22 1,-0.2 2,-0.1 -20,-0.1 493,-0.1 0.231 80.6 -43.8 -69.6-164.5 20.4 3.2 26.7 103 103 A P - 0 0 61 0, 0.0 -21,-0.8 0, 0.0 2,-0.3 -0.388 58.0-165.9 -72.4 137.5 22.0 4.9 23.7 104 104 A K E -N 81 0F 66 -23,-0.2 2,-0.4 -3,-0.1 -23,-0.2 -0.813 13.4-142.6-120.4 162.0 25.2 6.9 24.2 105 105 A V E -N 80 0F 14 -25,-2.0 -25,-1.6 -2,-0.3 2,-0.3 -0.993 19.6-169.9-127.9 125.8 27.2 9.4 22.1 106 106 A Y - 0 0 114 -2,-0.4 2,-0.3 -27,-0.2 -30,-0.2 -0.745 9.3-161.3-110.6 156.4 31.0 9.5 22.1 107 107 A I - 0 0 5 -32,-0.7 104,-0.2 -2,-0.3 -28,-0.1 -0.867 16.2-142.7-125.3 166.2 33.6 11.9 20.8 108 108 A T - 0 0 83 102,-2.7 2,-0.3 -2,-0.3 103,-0.2 0.565 69.4 -42.1-107.3 -12.2 37.3 11.2 20.2 109 109 A G E -B 210 0A 16 101,-1.5 101,-3.2 -37,-0.1 2,-0.3 -0.978 52.8-114.3 175.5-167.5 38.8 14.5 21.2 110 110 A Y E -B 209 0A 73 99,-0.3 2,-0.4 -2,-0.3 -41,-0.0 -0.989 13.5-140.7-153.3 155.1 38.5 18.3 21.1 111 111 A K E -B 208 0A 48 97,-3.0 97,-2.3 -2,-0.3 2,-0.4 -0.954 13.6-133.5-122.4 143.0 40.3 21.3 19.7 112 112 A Y E -B 207 0A 122 -2,-0.4 95,-0.2 95,-0.2 93,-0.0 -0.738 19.8-133.8 -89.6 134.1 41.0 24.8 21.1 113 113 A V E -B 206 0A 6 93,-3.0 93,-0.5 -2,-0.4 8,-0.1 -0.773 33.3-103.4 -84.9 128.4 40.4 27.8 18.9 114 114 A P - 0 0 83 0, 0.0 3,-0.4 0, 0.0 6,-0.1 -0.328 51.7-115.0 -50.8 130.8 43.2 30.3 19.0 115 115 A A S S+ 0 0 40 1,-0.2 89,-0.2 89,-0.1 90,-0.1 -0.280 82.5 19.7 -80.5 155.8 41.8 33.1 21.2 116 116 A N S S+ 0 0 62 87,-2.6 80,-1.3 81,-0.2 2,-0.4 0.822 91.2 117.3 63.3 39.3 40.9 36.7 20.4 117 117 A D B > -O 195 0G 43 -3,-0.4 4,-1.7 86,-0.3 3,-0.2 -0.887 51.5-157.5-145.3 108.0 40.8 36.2 16.6 118 118 A E H >> S+ 0 0 21 76,-2.5 4,-2.6 -2,-0.4 3,-0.6 0.909 93.5 44.5 -43.2 -62.6 37.7 36.7 14.5 119 119 A I H 3> S+ 0 0 51 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.801 107.9 57.9 -66.6 -31.9 38.6 34.5 11.5 120 120 A S H 3> S+ 0 0 29 -3,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.895 113.1 41.5 -60.3 -40.2 39.9 31.6 13.7 121 121 A L H X S+ 0 0 8 -4,-1.2 4,-1.5 1,-0.2 3,-1.0 0.908 109.4 49.5 -67.8 -41.6 35.8 26.8 13.2 125 125 A I H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.800 98.9 67.1 -69.2 -32.1 32.0 27.4 13.1 126 126 A A H 3< S+ 0 0 14 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.805 110.4 37.5 -52.4 -31.5 32.0 26.8 9.3 127 127 A N H << S- 0 0 109 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.796 132.9 -22.6 -93.9 -33.4 32.8 23.2 10.2 128 128 A Q S < S- 0 0 18 -4,-1.5 -1,-0.3 35,-0.1 37,-0.1 -0.962 78.5 -72.1-170.2 155.8 30.7 22.6 13.4 129 129 A P - 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