==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(CARBOXYLIC ESTERASE) 29-JUL-91 4TGL . COMPND 2 MOLECULE: TRIACYL-GLYCEROL ACYLHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOMUCOR MIEHEI; . AUTHOR U.DEREWENDA,A.M.BRZOZOWSKI,D.LAWSON,Z.S.DEREWENDA . 265 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 1 0.4 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 . 1 0.4 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 . 19 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 2 0 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 . 3 1 2 0 0 3 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 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 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 5 A G 0 0 73 0, 0.0 231,-1.3 0, 0.0 232,-0.4 0.000 360.0 360.0 360.0-156.0 -37.3 33.2 74.5 2 6 A I E +A 231 0A 78 229,-0.2 2,-0.3 230,-0.1 229,-0.3 -0.990 360.0 156.3-133.6 138.0 -38.0 30.0 76.2 3 7 A R E -A 230 0A 97 227,-3.3 227,-4.0 -2,-0.4 2,-0.4 -0.818 38.5 -95.0-148.8-179.3 -39.6 27.2 74.3 4 8 A A E -A 229 0A 67 -2,-0.3 225,-0.2 225,-0.3 2,-0.1 -0.838 34.6-104.0-111.6 147.4 -39.8 23.5 74.6 5 9 A A - 0 0 15 223,-1.7 223,-0.3 -2,-0.4 2,-0.2 -0.412 34.7-129.6 -60.8 128.6 -37.7 20.7 73.0 6 10 A T >> - 0 0 64 1,-0.1 4,-2.1 -2,-0.1 3,-1.6 -0.544 31.0-105.0 -79.6 143.8 -39.6 18.9 70.1 7 11 A S H 3> S+ 0 0 85 1,-0.3 4,-1.6 -2,-0.2 5,-0.2 0.752 121.7 61.9 -45.3 -27.9 -39.5 15.1 70.5 8 12 A Q H 3> S+ 0 0 148 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.927 104.4 42.0 -69.4 -43.6 -36.9 15.2 67.8 9 13 A E H X> S+ 0 0 32 -3,-1.6 4,-4.0 1,-0.2 3,-0.6 0.956 111.8 56.6 -65.0 -48.3 -34.3 17.2 69.6 10 14 A I H 3X S+ 0 0 24 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.794 110.0 45.8 -47.6 -40.1 -35.0 15.3 72.6 11 15 A N H 3< S+ 0 0 98 -4,-1.6 4,-0.5 -5,-0.3 -1,-0.2 0.793 115.3 44.8 -76.0 -28.9 -34.1 12.1 70.6 12 16 A E H XX S+ 0 0 89 -4,-1.7 4,-1.4 -3,-0.6 3,-0.8 0.914 107.4 58.7 -82.0 -45.3 -31.1 13.5 69.1 13 17 A L H 3X S+ 0 0 2 -4,-4.0 4,-1.2 1,-0.2 -2,-0.2 0.722 105.8 52.0 -58.7 -21.8 -29.9 15.0 72.5 14 18 A T H 3X S+ 0 0 31 -4,-0.9 4,-2.6 -5,-0.2 -1,-0.2 0.621 102.6 56.0 -84.6 -23.7 -30.0 11.3 74.0 15 19 A Y H <> S+ 0 0 58 -3,-0.8 4,-2.1 -4,-0.5 -2,-0.2 0.892 109.4 46.2 -72.4 -42.9 -27.9 9.8 71.3 16 20 A Y H X S+ 0 0 18 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.924 112.6 53.2 -69.4 -43.3 -25.1 12.4 71.9 17 21 A T H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 -2,-0.3 0.860 108.6 48.6 -57.3 -48.3 -25.6 11.6 75.6 18 22 A T H X S+ 0 0 12 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.851 110.2 49.8 -63.5 -41.3 -25.2 7.8 75.0 19 23 A L H X S+ 0 0 2 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.960 112.8 49.8 -59.7 -46.4 -22.0 8.4 73.0 20 24 A S H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.2 3,-0.3 0.870 114.5 43.1 -58.3 -44.4 -20.8 10.6 76.0 21 25 A A H >< S+ 0 0 2 -4,-2.5 3,-1.5 1,-0.2 241,-0.2 0.873 108.4 56.5 -77.6 -29.1 -21.6 7.9 78.6 22 26 A N H >< S+ 0 0 2 -4,-2.6 3,-1.6 1,-0.3 7,-0.3 0.809 94.6 69.9 -71.9 -23.4 -20.3 5.0 76.7 23 27 A S T 3< S+ 0 0 0 -4,-1.0 6,-0.3 -3,-0.3 -1,-0.3 0.653 85.8 65.9 -64.4 -25.2 -17.0 6.8 76.6 24 28 A Y T < S+ 0 0 13 -3,-1.5 2,-0.5 -4,-0.4 -1,-0.3 0.484 82.3 104.8 -73.3 0.9 -16.6 6.2 80.4 25 29 A a X> - 0 0 2 -3,-1.6 3,-2.0 -4,-0.2 4,-2.0 -0.666 68.9-147.6 -86.6 124.5 -16.3 2.5 79.4 26 30 A R T 34>S+ 0 0 144 -2,-0.5 5,-3.1 1,-0.3 6,-0.2 0.818 100.6 59.4 -58.3 -27.8 -12.7 1.0 79.6 27 31 A T T 345S+ 0 0 50 8,-0.3 6,-2.6 3,-0.2 -1,-0.3 0.558 111.7 37.7 -80.2 -12.6 -13.8 -1.3 76.6 28 32 A V T <>5S+ 0 0 0 -3,-2.0 4,-2.5 1,-0.3 -2,-0.2 0.774 117.5 54.0 -97.3 -72.1 -14.6 1.8 74.3 29 33 A I T <5S- 0 0 0 -4,-2.0 -1,-0.3 -6,-0.3 -2,-0.1 -0.872 139.1 -11.9-109.3 119.4 -11.8 3.9 75.5 30 34 A P T 45S+ 0 0 66 0, 0.0 -1,-0.2 0, 0.0 -3,-0.2 -0.972 133.5 63.0-105.3 6.1 -9.4 2.3 75.2 31 35 A G T 4> S- 0 0 26 -2,-0.5 3,-2.4 -9,-0.1 4,-0.7 -0.998 85.1 -87.1-167.5 161.7 -20.8 -1.9 77.0 37 41 A I T 34 S+ 0 0 106 -2,-0.3 -15,-0.0 1,-0.3 228,-0.0 0.782 127.5 23.9 -49.6 -27.1 -24.3 -1.5 78.4 38 42 A H T 34 S+ 0 0 60 -20,-0.1 -1,-0.3 1,-0.1 -16,-0.1 0.025 94.9 105.4-133.9 30.2 -25.5 1.0 76.0 39 43 A b T X> + 0 0 0 -3,-2.4 3,-1.9 1,-0.2 4,-1.1 0.812 65.3 68.0 -82.4 -34.3 -23.0 0.1 73.3 40 44 A D T 3< S+ 0 0 101 -4,-0.7 -1,-0.2 1,-0.3 4,-0.1 0.774 95.0 61.5 -57.8 -23.7 -25.5 -1.7 71.0 41 45 A A T 34 S+ 0 0 52 1,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.687 117.5 26.5 -72.9 -28.3 -27.0 1.7 70.4 42 46 A T T X4 S+ 0 0 0 -3,-1.9 3,-1.3 -4,-0.1 -2,-0.2 0.285 87.8 112.5-116.8 6.1 -23.8 3.1 68.9 43 47 A E T 3< + 0 0 121 -4,-1.1 -9,-0.1 1,-0.2 -2,-0.1 0.454 65.4 67.9 -61.0 -11.8 -22.3 -0.2 67.5 44 48 A D T 3 S+ 0 0 66 -4,-0.1 22,-0.4 2,-0.1 -1,-0.2 0.559 81.3 93.6 -83.6 -15.8 -22.7 0.6 63.7 45 49 A L S < S- 0 0 6 -3,-1.3 2,-0.5 20,-0.2 20,-0.2 -0.504 78.5-128.1 -75.2 147.0 -20.0 3.4 64.0 46 50 A K E -B 64 0A 91 18,-2.8 18,-2.5 -2,-0.1 2,-0.4 -0.913 18.8-135.3-105.1 126.2 -16.4 2.5 63.2 47 51 A I E -B 63 0A 36 -2,-0.5 16,-0.3 16,-0.3 3,-0.1 -0.783 23.8-175.0 -77.7 131.6 -14.1 3.5 66.0 48 52 A I E - 0 0 60 14,-4.3 2,-0.3 1,-0.5 15,-0.2 0.769 57.9 -15.2-101.9 -40.1 -11.2 5.1 64.3 49 53 A K E -B 62 0A 87 13,-1.7 13,-2.2 2,-0.0 -1,-0.5 -0.925 53.7-156.7-154.2 154.9 -8.6 5.9 67.0 50 54 A T E -B 61 0A 32 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.858 12.3-165.0-130.6 151.7 -8.8 6.1 70.8 51 55 A W E -B 60 0A 18 9,-1.6 9,-1.5 -2,-0.3 2,-0.3 -0.971 18.7-176.7-139.2 143.8 -6.3 8.3 73.0 52 56 A S E -B 59 0A 53 -2,-0.3 7,-0.2 7,-0.2 5,-0.1 -0.815 28.4-151.4-137.0 76.5 -5.5 8.3 76.8 53 57 A T > - 0 0 17 5,-1.8 4,-0.8 -2,-0.3 5,-0.2 -0.427 8.7-132.5 -65.0 140.0 -2.9 11.1 77.1 54 58 A L T 4 S+ 0 0 141 2,-0.2 -1,-0.1 3,-0.2 59,-0.0 0.791 90.3 39.7 -63.7 -50.9 -0.5 10.7 79.9 55 59 A I T 4 S+ 0 0 100 1,-0.2 -1,-0.1 58,-0.1 55,-0.1 0.994 131.4 22.5 -70.1 -63.8 -0.2 13.9 81.8 56 60 A Y T 4 S- 0 0 60 53,-0.2 -2,-0.2 54,-0.1 -1,-0.2 0.432 94.1-129.7 -77.7 -4.8 -3.8 15.0 81.9 57 61 A D < + 0 0 29 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.862 39.0 179.3 63.7 24.2 -5.4 11.6 81.3 58 62 A T - 0 0 6 -5,-0.2 -5,-1.8 52,-0.1 2,-0.5 -0.474 9.7-162.2 -63.8 125.2 -7.5 13.2 78.4 59 63 A N E +B 52 0A 8 17,-0.4 17,-2.9 -2,-0.3 2,-0.3 -0.961 24.2 146.4-113.8 119.0 -9.7 10.3 76.9 60 64 A A E -BC 51 75A 0 -9,-1.5 -9,-1.6 -2,-0.5 2,-0.3 -0.872 23.3-162.2-143.4 173.7 -11.2 10.9 73.4 61 65 A M E -BC 50 74A 1 13,-1.7 13,-2.7 -2,-0.3 2,-0.4 -0.992 13.7-143.4-157.9 155.5 -12.1 9.0 70.2 62 66 A V E +BC 49 73A 0 -13,-2.2 -14,-4.3 -2,-0.3 -13,-1.7 -0.994 28.8 167.7-121.3 130.0 -12.8 9.5 66.6 63 67 A A E -BC 47 72A 2 9,-2.2 9,-2.6 -2,-0.4 2,-0.4 -0.913 24.0-138.1-137.3 161.3 -15.4 7.3 65.0 64 68 A R E -BC 46 71A 21 -18,-2.5 -18,-2.8 -2,-0.3 2,-0.7 -0.997 4.7-163.5-124.4 129.5 -17.4 7.3 61.7 65 69 A G E >> + C 0 70A 0 5,-4.0 5,-2.3 -2,-0.4 4,-0.7 -0.952 10.5 178.7-103.5 107.1 -21.0 6.5 61.1 66 70 A D T 45S+ 0 0 28 -2,-0.7 3,-0.3 -22,-0.4 -1,-0.1 0.870 84.6 54.0 -79.3 -32.8 -21.3 5.8 57.3 67 71 A S T 45S+ 0 0 97 1,-0.2 -1,-0.2 -23,-0.2 -22,-0.1 0.883 118.3 39.0 -59.0 -35.9 -25.1 5.1 57.6 68 72 A E T 45S- 0 0 59 2,-0.2 -2,-0.2 1,-0.0 -1,-0.2 0.580 103.1-130.3 -94.1 -5.1 -25.3 8.5 59.3 69 73 A K T <5 + 0 0 110 -4,-0.7 64,-2.1 -3,-0.3 2,-0.4 0.913 65.2 133.2 58.9 43.4 -22.8 10.4 57.1 70 74 A T E < -Cd 65 133A 4 -5,-2.3 -5,-4.0 62,-0.2 2,-0.4 -0.966 53.7-154.6-137.4 149.8 -21.1 11.5 60.4 71 75 A I E -Cd 64 134A 0 62,-2.1 64,-1.7 -2,-0.4 2,-0.4 -0.986 27.1-156.9-114.3 101.0 -17.7 11.8 61.8 72 76 A Y E -Cd 63 135A 7 -9,-2.6 -9,-2.2 -2,-0.4 2,-0.5 -0.723 13.0-171.3 -93.3 135.5 -17.9 11.7 65.7 73 77 A I E -Cd 62 136A 0 62,-2.4 64,-2.2 -2,-0.4 2,-0.4 -0.992 14.4-175.9-124.3 126.4 -15.4 13.0 68.1 74 78 A V E -Cd 61 137A 1 -13,-2.7 -13,-1.7 -2,-0.5 2,-0.4 -0.992 13.8-168.1-137.8 130.8 -15.9 12.1 71.7 75 79 A F E -Cd 60 138A 0 62,-1.8 64,-0.8 -2,-0.4 -15,-0.3 -0.902 19.3-132.0-110.5 138.2 -14.2 13.0 74.9 76 80 A R - 0 0 7 -17,-2.9 -17,-0.4 -2,-0.4 3,-0.1 -0.475 19.9-128.8 -83.2 152.2 -14.7 11.4 78.4 77 81 A G - 0 0 0 -57,-0.3 63,-0.1 1,-0.2 -1,-0.1 -0.120 57.1 -38.0 -84.3-166.3 -15.3 13.4 81.7 78 82 A S + 0 0 13 1,-0.1 -1,-0.2 5,-0.1 3,-0.1 -0.051 65.5 143.0 -57.3 126.9 -13.4 13.0 85.0 79 83 A S + 0 0 51 1,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.622 63.0 44.3-143.6 -11.7 -12.5 9.4 85.8 80 84 A S S >> S- 0 0 28 -23,-0.1 3,-3.0 0, 0.0 4,-1.9 -0.973 83.9-107.3-144.1 155.1 -9.1 9.9 87.4 81 85 A I H 3> S+ 0 0 127 1,-0.3 4,-2.8 -2,-0.3 5,-0.1 0.660 118.3 59.8 -41.2 -38.1 -7.2 12.1 89.8 82 86 A R H 3> S+ 0 0 141 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.761 108.0 46.2 -69.2 -27.1 -5.3 13.7 86.9 83 87 A N H <> S+ 0 0 2 -3,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.722 111.6 51.6 -80.9 -33.2 -8.8 14.8 85.6 84 88 A W H X S+ 0 0 136 -4,-1.9 4,-1.5 1,-0.2 5,-0.2 0.980 109.6 46.7 -73.1 -48.1 -9.8 16.1 89.0 85 89 A I H X S+ 0 0 96 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.805 114.5 48.7 -63.7 -26.8 -6.8 18.2 89.6 86 90 A A H >< S+ 0 0 6 -4,-1.0 3,-0.9 1,-0.2 -1,-0.2 0.921 107.1 56.5 -70.8 -44.8 -7.1 19.6 86.0 87 91 A D H 3< S+ 0 0 34 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.728 111.7 43.5 -45.3 -38.4 -10.7 20.2 86.8 88 92 A L H 3< S+ 0 0 113 -4,-1.5 2,-2.0 -3,-0.1 -1,-0.3 0.544 88.5 87.2 -86.7 -27.6 -9.5 22.3 89.8 89 93 A T << + 0 0 53 -4,-1.1 17,-2.8 -3,-0.9 18,-0.2 -0.576 51.6 149.9 -77.7 78.7 -6.8 24.2 88.1 90 94 A F + 0 0 83 -2,-2.0 -1,-0.2 15,-0.2 -3,-0.1 0.141 7.1 141.1 -92.8 12.7 -9.1 27.0 86.9 91 95 A V - 0 0 72 13,-0.2 14,-2.5 -3,-0.1 2,-0.2 -0.403 62.0-116.4 -54.5 131.6 -6.9 30.0 86.9 92 96 A P E -I 104 0B 62 0, 0.0 12,-0.2 0, 0.0 2,-0.2 -0.567 41.4-177.6 -67.4 138.9 -8.1 31.7 83.8 93 97 A V E -I 103 0B 39 10,-2.4 10,-1.7 -2,-0.2 2,-0.2 -0.617 35.2 -71.0-124.7-176.3 -5.2 31.8 81.3 94 98 A S E -I 102 0B 68 -2,-0.2 8,-0.3 8,-0.2 5,-0.1 -0.477 34.7-127.3 -88.8 156.3 -5.1 33.4 77.9 95 99 A Y > - 0 0 12 6,-3.2 3,-1.3 3,-0.4 6,-0.5 -0.875 23.5-158.0 -94.5 101.6 -7.0 32.0 75.0 96 100 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.934 84.5 46.4 -47.2 -64.9 -4.2 31.7 72.3 97 101 A P T 3 S+ 0 0 64 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.647 116.9 47.9 -60.2 -8.1 -6.2 31.8 69.0 98 102 A V S X S- 0 0 28 -3,-1.3 3,-2.2 3,-0.1 -3,-0.4 -0.829 81.1-137.1-142.3 103.5 -8.4 34.8 70.2 99 103 A S T 3 S+ 0 0 125 -2,-0.4 3,-0.1 1,-0.3 -5,-0.0 -0.114 90.0 25.8 -57.6 143.6 -6.8 38.0 71.8 100 104 A G T 3 S+ 0 0 57 1,-0.3 2,-0.3 -5,-0.1 -1,-0.3 0.584 98.5 119.1 80.8 7.7 -8.6 39.3 74.7 101 105 A T < - 0 0 3 -3,-2.2 -6,-3.2 -6,-0.5 2,-0.4 -0.781 43.7-163.4-112.5 151.7 -10.0 35.9 75.6 102 106 A K E +I 94 0B 100 -2,-0.3 75,-2.0 -8,-0.3 2,-0.3 -0.980 7.4 179.4-128.3 141.6 -9.6 33.9 78.7 103 107 A V E -IJ 93 176B 0 -10,-1.7 -10,-2.4 -2,-0.4 73,-0.3 -0.995 43.3 -86.9-140.3 143.1 -10.2 30.2 79.4 104 108 A H E >> -I 92 0B 0 71,-2.9 4,-1.4 -2,-0.3 3,-0.7 -0.270 39.2-140.5 -45.8 111.0 -9.8 27.9 82.4 105 109 A K H >> S+ 0 0 71 -14,-2.5 4,-2.7 1,-0.2 3,-0.7 0.897 94.9 56.8 -49.0 -59.5 -6.2 26.6 82.3 106 110 A G H 3> S+ 0 0 2 -17,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.897 108.7 48.1 -40.6 -47.5 -6.8 23.0 83.4 107 111 A F H <> S+ 0 0 6 -3,-0.7 4,-1.6 -21,-0.2 -1,-0.2 0.887 113.1 49.2 -60.5 -39.3 -9.3 22.5 80.5 108 112 A L H X S+ 0 0 11 -4,-1.6 4,-2.5 1,-0.2 3,-1.9 0.885 108.5 64.6 -81.3 -44.7 -7.1 19.6 75.2 112 116 A G H 3< S+ 0 0 39 -4,-3.9 4,-0.4 1,-0.3 -2,-0.2 0.794 98.8 54.7 -49.0 -32.5 -3.6 20.8 74.4 113 117 A E T 3< S+ 0 0 66 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.721 121.5 25.2 -77.9 -20.8 -2.2 17.2 75.1 114 118 A V T X> S+ 0 0 1 -3,-1.9 4,-1.7 -4,-0.2 3,-0.5 0.651 98.7 98.0-108.9 -22.0 -4.5 15.2 72.7 115 119 A Q H 3X S+ 0 0 55 -4,-2.5 4,-3.8 1,-0.3 5,-0.2 0.744 82.1 42.4 -26.1 -67.1 -5.2 18.1 70.3 116 120 A N H 3> S+ 0 0 102 -4,-0.4 4,-1.7 1,-0.2 -1,-0.3 0.866 116.0 42.3 -65.3 -47.2 -2.7 17.5 67.6 117 121 A E H <4 S+ 0 0 109 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.590 120.0 49.1 -73.3 -20.4 -2.9 13.8 67.1 118 122 A L H >X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.1 3,-1.5 0.869 108.3 49.6 -83.8 -49.6 -6.7 14.2 67.4 119 123 A V H 3X S+ 0 0 0 -4,-3.8 4,-2.4 1,-0.3 -2,-0.2 0.903 107.9 57.1 -58.1 -37.5 -7.1 17.1 64.9 120 124 A A H 3X S+ 0 0 57 -4,-1.7 4,-0.9 1,-0.2 -1,-0.3 0.602 105.5 48.5 -67.3 -12.4 -5.0 15.2 62.3 121 125 A T H <> S+ 0 0 16 -3,-1.5 4,-3.7 2,-0.2 -1,-0.2 0.942 110.7 50.6 -90.9 -41.6 -7.4 12.1 62.3 122 126 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.3 5,-0.2 0.957 114.4 43.3 -56.8 -59.1 -10.5 14.1 61.9 123 127 A L H X S+ 0 0 18 -4,-2.4 4,-1.4 2,-0.2 -1,-0.3 0.769 114.3 49.9 -52.5 -39.7 -9.1 15.9 59.1 124 128 A D H >X S+ 0 0 69 -4,-0.9 4,-1.8 1,-0.2 3,-0.9 0.979 114.2 47.4 -60.7 -51.7 -7.6 12.7 57.6 125 129 A Q H 3< S+ 0 0 11 -4,-3.7 -2,-0.2 1,-0.3 -1,-0.2 0.753 116.6 42.4 -52.4 -41.7 -11.1 11.2 58.0 126 130 A F H 3< S+ 0 0 14 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.551 100.8 66.4 -83.7 -23.6 -12.8 14.2 56.5 127 131 A K H << S+ 0 0 136 -4,-1.4 -2,-0.2 -3,-0.9 -1,-0.2 0.914 110.0 42.7 -69.4 -37.0 -10.4 14.7 53.6 128 132 A Q S < S+ 0 0 110 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.533 125.2 32.6 -82.1 -12.0 -11.8 11.3 52.6 129 133 A Y > + 0 0 61 -4,-0.2 3,-1.4 3,-0.1 -1,-0.2 -0.547 66.8 164.3-137.7 57.2 -15.5 12.1 53.3 130 134 A P T 3 S+ 0 0 88 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 0.671 74.6 57.2 -55.5 -22.6 -15.8 15.9 52.6 131 135 A S T 3 S+ 0 0 105 -3,-0.1 -5,-0.1 2,-0.1 -3,-0.0 0.691 87.9 89.0 -87.7 -16.1 -19.6 15.6 52.6 132 136 A Y S < S- 0 0 15 -3,-1.4 -62,-0.2 -6,-0.1 2,-0.2 -0.153 73.2-123.9 -68.0 167.8 -20.1 14.1 56.1 133 137 A K E -d 70 0A 86 -64,-2.1 -62,-2.1 27,-0.0 2,-0.5 -0.608 12.3-123.0-112.1 171.0 -20.5 16.3 59.0 134 138 A V E -de 71 165A 0 30,-2.3 32,-2.9 -2,-0.2 2,-0.5 -0.982 21.5-173.8-118.9 114.0 -18.6 16.5 62.3 135 139 A A E -de 72 166A 1 -64,-1.7 -62,-2.4 -2,-0.5 2,-0.5 -0.946 7.1-165.7-105.4 122.8 -20.5 16.0 65.6 136 140 A V E +de 73 167A 0 30,-2.8 32,-2.4 -2,-0.5 2,-0.3 -0.980 13.0 178.5-115.1 123.4 -18.4 16.6 68.8 137 141 A T E +de 74 168A 1 -64,-2.2 -62,-1.8 -2,-0.5 2,-0.3 -0.908 7.4 158.3-132.7 152.7 -19.8 15.4 72.1 138 142 A G E -de 75 169A 0 30,-1.4 32,-1.7 -2,-0.3 2,-0.5 -0.944 27.9-131.2-175.8 145.9 -18.8 15.3 75.8 139 143 A H E > S- e 0 170A 1 -64,-0.8 3,-2.1 -2,-0.3 2,-0.3 -0.936 70.4 -41.4-103.1 124.5 -19.8 15.1 79.4 140 144 A S T >> S+ 0 0 9 30,-2.8 4,-1.3 -2,-0.5 3,-0.7 -0.369 142.4 8.1 51.8-110.9 -18.7 17.3 82.3 141 145 A L H >> S+ 0 0 4 -2,-0.3 4,-2.3 1,-0.2 3,-1.0 0.962 132.8 58.8 -60.8 -38.3 -14.9 17.8 81.6 142 146 A G H <> S+ 0 0 0 -3,-2.1 4,-2.7 1,-0.3 -67,-0.3 0.821 103.1 52.3 -54.7 -31.3 -15.5 16.0 78.3 143 147 A G H <> S+ 0 0 0 -3,-0.7 4,-2.4 27,-0.3 -1,-0.3 0.800 108.1 51.2 -73.3 -33.3 -18.0 18.7 77.4 144 148 A A H X S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.4 3,-0.9 0.979 106.4 51.2 -54.0 -52.9 -15.5 18.9 73.4 147 151 A L H 3X S+ 0 0 4 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.911 107.5 49.0 -48.2 -62.0 -16.0 22.7 73.3 148 152 A L H 3X S+ 0 0 4 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.802 111.3 53.1 -49.8 -31.4 -12.3 23.6 72.7 149 153 A C H XX S+ 0 0 0 -4,-1.8 4,-3.1 -3,-0.9 3,-0.8 0.999 103.1 51.5 -69.5 -68.5 -12.1 21.0 69.9 150 154 A A H 3X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.3 -1,-0.2 0.737 116.1 47.6 -37.2 -35.8 -15.0 22.2 67.8 151 155 A L H 3X S+ 0 0 1 -4,-1.5 4,-0.9 -5,-0.3 -1,-0.3 0.899 109.2 49.0 -77.6 -45.5 -13.2 25.6 68.2 152 156 A D H > S- 0 0 40 -2,-0.5 3,-1.2 -3,-0.1 4,-0.5 -0.690 75.1 -51.0-151.6-161.2 -17.6 26.0 59.6 162 166 A S T 34 S+ 0 0 51 25,-0.4 -2,-0.1 -2,-0.3 26,-0.0 0.299 125.7 58.8 -56.4 -18.4 -21.0 26.4 60.9 163 167 A S T 34 S+ 0 0 100 1,-0.1 -1,-0.2 26,-0.1 -3,-0.1 0.520 118.9 26.4 -99.2 -4.2 -22.9 24.2 58.4 164 168 A N T <4 S+ 0 0 25 -3,-1.2 -30,-2.3 -31,-0.1 2,-0.4 0.402 103.1 81.8-141.8 15.3 -21.0 21.1 59.1 165 169 A L E < -e 134 0A 0 -4,-0.5 2,-0.4 -32,-0.2 -30,-0.2 -0.976 53.4-177.0-121.8 124.3 -19.7 21.3 62.7 166 170 A F E -e 135 0A 37 -32,-2.9 -30,-2.8 -2,-0.4 2,-0.4 -0.983 8.7-160.2-122.3 141.5 -22.1 20.4 65.6 167 171 A L E +ef 136 191A 3 23,-2.9 25,-2.3 -2,-0.4 2,-0.4 -0.966 10.5 175.8-121.8 124.0 -21.4 20.6 69.4 168 172 A Y E +ef 137 192A 7 -32,-2.4 -30,-1.4 -2,-0.4 2,-0.3 -0.984 7.2 174.7-123.1 124.2 -23.4 18.7 72.1 169 173 A T E -ef 138 193A 0 23,-2.1 25,-2.2 -2,-0.4 2,-0.4 -0.919 14.4-154.9-127.6 164.1 -22.3 18.9 75.8 170 174 A Q E S-ef 139 194A 0 -32,-1.7 -30,-2.8 -2,-0.3 -27,-0.3 -0.999 76.1 -11.9-138.0 137.1 -24.0 17.5 78.9 171 175 A G S S- 0 0 0 23,-1.2 24,-0.1 -2,-0.4 -28,-0.1 0.885 90.5-178.2 37.4 55.4 -23.6 18.8 82.5 172 176 A Q - 0 0 1 22,-0.5 -1,-0.2 -33,-0.1 -31,-0.1 -0.701 24.4-130.5 -91.2 133.6 -20.8 20.9 81.1 173 177 A P - 0 0 8 0, 0.0 2,-0.1 0, 0.0 28,-0.1 -0.166 39.7 -89.6 -59.9 172.9 -18.7 23.2 83.5 174 178 A R - 0 0 9 30,-1.6 39,-0.1 27,-0.3 3,-0.1 -0.529 39.6-163.6 -80.6 151.1 -18.2 26.9 82.3 175 179 A V - 0 0 3 37,-0.4 -71,-2.9 1,-0.3 2,-0.3 0.799 51.9 -13.3-110.6 -33.5 -14.9 27.2 80.1 176 180 A G B S-JK 103 212B 1 36,-0.6 36,-2.0 -73,-0.3 -73,-0.3 -0.907 75.8 -60.1-157.8-178.6 -13.9 30.9 79.9 177 181 A N >> - 0 0 28 -75,-2.0 4,-3.7 -2,-0.3 3,-1.1 0.053 58.7 -86.3 -70.5 179.5 -14.8 34.5 80.4 178 182 A P H 3> S+ 0 0 65 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.767 128.3 52.4 -48.4 -32.6 -17.4 36.7 78.9 179 183 A A H 3> S+ 0 0 37 2,-0.2 4,-1.9 3,-0.2 -78,-0.1 0.785 111.9 45.9 -74.6 -35.4 -15.2 37.5 75.9 180 184 A F H <> S+ 0 0 4 -3,-1.1 4,-2.6 -78,-0.3 3,-0.4 0.959 110.0 52.4 -75.1 -58.8 -14.7 33.8 75.2 181 185 A A H X S+ 0 0 0 -4,-3.7 4,-1.5 31,-0.3 -2,-0.2 0.905 114.5 47.6 -41.3 -48.4 -18.4 33.1 75.7 182 186 A N H X S+ 0 0 87 -4,-1.8 4,-1.5 1,-0.3 -1,-0.2 0.840 107.5 50.3 -60.5 -45.9 -18.8 35.9 73.1 183 187 A Y H X S+ 0 0 36 -4,-1.9 4,-1.3 -3,-0.4 -1,-0.3 0.801 107.2 57.9 -63.6 -31.6 -16.3 34.7 70.6 184 188 A V H X S+ 0 0 8 -4,-2.6 4,-0.6 1,-0.2 5,-0.3 0.909 102.1 53.8 -66.4 -39.2 -18.0 31.3 70.7 185 189 A V H >< S+ 0 0 47 -4,-1.5 3,-1.7 -5,-0.3 -2,-0.2 0.915 102.9 59.8 -59.1 -46.8 -21.2 32.8 69.7 186 190 A S H 3< S+ 0 0 80 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.743 91.3 64.3 -44.9 -46.2 -19.5 34.4 66.7 187 191 A T H 3< S- 0 0 4 -4,-1.3 -25,-0.4 -3,-0.3 -1,-0.3 0.771 93.1-145.6 -53.1 -27.3 -18.4 31.1 65.0 188 192 A G << + 0 0 42 -3,-1.7 -1,-0.2 -4,-0.6 -2,-0.1 0.447 38.1 163.1 70.1 1.0 -22.0 30.4 64.7 189 193 A I - 0 0 18 -5,-0.3 2,-0.4 1,-0.1 -1,-0.2 -0.227 49.8-104.7 -48.8 138.7 -21.1 26.7 65.3 190 194 A P - 0 0 30 0, 0.0 -23,-2.9 0, 0.0 2,-0.4 -0.539 46.6-175.9 -71.6 122.2 -24.4 24.8 66.3 191 195 A Y E -f 167 0A 19 -2,-0.4 25,-1.5 -25,-0.2 2,-0.7 -0.910 20.4-173.6-138.0 107.5 -24.3 24.2 70.1 192 196 A R E -fg 168 216A 54 -25,-2.3 -23,-2.1 -2,-0.4 2,-0.7 -0.920 12.1-168.5 -94.8 100.0 -26.9 22.2 72.1 193 197 A R E -fg 169 217A 3 23,-3.0 25,-2.4 -2,-0.7 2,-0.3 -0.945 11.0-163.9 -99.7 96.1 -25.8 22.7 75.9 194 198 A T E -fg 170 218A 0 -25,-2.2 -23,-1.2 -2,-0.7 -22,-0.5 -0.671 9.9-175.0 -90.0 140.4 -27.9 20.1 77.9 195 199 A V E - g 0 219A 0 23,-2.1 25,-2.9 -2,-0.3 2,-0.6 -0.994 19.9-133.6-137.0 127.8 -28.3 20.3 81.6 196 200 A N E > - g 0 220A 1 -2,-0.4 3,-2.8 23,-0.2 25,-0.1 -0.708 46.2 -79.4 -95.7 124.9 -30.1 17.8 83.8 197 201 A E T 3 S- 0 0 54 23,-1.5 47,-0.1 -2,-0.6 25,-0.0 0.018 111.9 -5.3 28.9-112.6 -32.5 19.1 86.4 198 202 A R T 3 S+ 0 0 117 50,-0.1 51,-1.3 23,-0.0 -1,-0.3 0.361 88.8 152.7 -83.4 -3.8 -30.7 20.3 89.5 199 203 A D B < -l 249 0C 0 -3,-2.8 51,-0.2 49,-0.2 -28,-0.0 0.130 34.6-151.2 -28.0 132.3 -27.2 19.2 88.3 200 204 A I S > S+ 0 0 50 49,-2.6 3,-3.5 1,-0.2 50,-0.1 0.898 75.3 74.7 -79.0 -45.2 -24.5 21.3 89.9 201 205 A V G > S+ 0 0 25 1,-0.3 3,-2.3 48,-0.3 -27,-0.3 0.715 86.2 62.8 -39.7 -47.1 -21.5 21.3 87.4 202 206 A P G 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.412 102.4 57.8 -60.0 -9.3 -23.1 23.6 84.8 203 207 A H G < S+ 0 0 21 -3,-3.5 4,-0.3 -32,-0.1 -2,-0.2 0.346 92.1 113.2-104.7 -2.1 -22.9 26.1 87.8 204 208 A L < + 0 0 86 -3,-2.3 -30,-1.6 2,-0.1 3,-0.0 -0.862 53.5 42.1-120.8 145.7 -19.1 25.9 88.4 205 209 A P S S- 0 0 13 0, 0.0 -31,-0.2 0, 0.0 2,-0.1 0.682 105.7-107.7 -65.9 162.6 -16.6 27.6 88.3 206 210 A P > - 0 0 52 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 -0.432 15.8-126.4 -64.7 136.5 -18.8 30.4 89.7 207 211 A A G >> S+ 0 0 50 -4,-0.3 3,-1.9 1,-0.3 4,-1.3 0.810 106.3 65.7 -49.8 -40.3 -19.8 33.3 87.4 208 212 A A G 34 S+ 0 0 99 1,-0.3 -1,-0.3 2,-0.2 0, 0.0 0.819 91.2 63.4 -52.6 -36.1 -18.4 36.0 89.8 209 213 A F G <4 S- 0 0 139 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.358 133.8 -88.6 -70.7 2.1 -14.8 34.6 89.2 210 214 A G T <4 S+ 0 0 27 -3,-1.9 2,-0.4 1,-0.3 -2,-0.2 0.960 83.2 139.0 84.2 64.0 -15.3 35.7 85.5 211 215 A F < + 0 0 4 -4,-1.3 2,-0.3 -34,-0.1 -1,-0.3 -0.991 19.7 169.2-134.3 132.2 -16.9 32.6 83.9 212 216 A L B -K 176 0B 39 -36,-2.0 -36,-0.6 -2,-0.4 -37,-0.4 -0.974 24.2-133.5-143.1 137.4 -19.8 32.8 81.5 213 217 A H - 0 0 2 -2,-0.3 23,-2.3 -39,-0.1 2,-0.3 -0.605 9.5-160.8 -90.0 157.0 -21.3 30.1 79.3 214 218 A A B +M 235 0D 5 21,-0.2 21,-0.3 -2,-0.2 -32,-0.1 -0.757 46.7 87.9-120.7 163.6 -22.1 30.2 75.6 215 219 A G S S- 0 0 3 19,-2.5 2,-0.3 -2,-0.3 -23,-0.2 0.342 81.3 -87.6 110.0 129.4 -24.6 27.6 74.1 216 220 A S E -g 192 0A 20 -25,-1.5 -23,-3.0 16,-0.1 2,-0.6 -0.444 53.0-131.9 -59.6 118.4 -28.4 27.2 73.7 217 221 A E E -gH 193 231A 4 14,-1.0 14,-1.7 16,-0.4 2,-0.7 -0.748 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