==== 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 LYASE 03-OCT-02 1MXS . COMPND 2 MOLECULE: KDPG ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR L.WATANABE,B.J.BELL,L.LEBIODA,J.L.RIOS-STEINER,A.TULINSKY,R. . 216 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9472.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 15 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 1 1 1 0 1 2 2 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 11 A L 0 0 157 0, 0.0 2,-0.2 0, 0.0 110,-0.0 0.000 360.0 360.0 360.0 -52.0 74.3 77.3 54.3 2 12 A S >> - 0 0 55 1,-0.1 4,-2.1 2,-0.0 3,-0.5 -0.534 360.0-127.6 -81.5 145.1 72.1 74.8 52.5 3 13 A M H 3> S+ 0 0 41 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.933 113.2 51.2 -57.0 -45.7 71.7 75.0 48.7 4 14 A A H 3> S+ 0 0 72 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.790 108.7 54.4 -61.9 -26.0 68.0 75.0 48.9 5 15 A D H <> S+ 0 0 96 -3,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.910 106.8 47.7 -74.4 -43.0 68.4 77.9 51.4 6 16 A K H X S+ 0 0 12 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.868 108.0 57.1 -64.8 -35.6 70.5 80.0 49.1 7 17 A A H X S+ 0 0 18 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.932 112.5 41.2 -59.7 -45.1 67.9 79.4 46.4 8 18 A A H X S+ 0 0 60 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.903 115.3 50.4 -68.6 -43.6 65.2 80.8 48.7 9 19 A R H X S+ 0 0 131 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.952 112.3 45.4 -60.3 -52.5 67.4 83.7 50.0 10 20 A I H X S+ 0 0 4 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.802 112.2 54.5 -62.9 -27.5 68.5 84.8 46.5 11 21 A D H X S+ 0 0 25 -4,-1.2 4,-2.0 -5,-0.3 -1,-0.2 0.896 107.5 48.7 -72.9 -39.5 64.8 84.5 45.5 12 22 A A H X S+ 0 0 39 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.904 111.1 50.8 -63.5 -44.1 63.8 86.8 48.4 13 23 A I H X S+ 0 0 23 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.857 112.2 46.3 -62.2 -41.4 66.4 89.4 47.4 14 24 A C H X S+ 0 0 3 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.849 111.2 50.1 -75.3 -33.9 65.3 89.5 43.8 15 25 A E H < S+ 0 0 104 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.899 112.5 46.3 -72.3 -38.3 61.6 89.7 44.4 16 26 A K H < S+ 0 0 173 -4,-2.0 -1,-0.2 -5,-0.2 28,-0.2 0.785 115.3 49.0 -72.6 -25.4 62.0 92.6 46.9 17 27 A A H < S+ 0 0 7 -4,-1.1 2,-2.2 -5,-0.2 -2,-0.2 0.932 71.9 178.6 -78.5 -48.6 64.3 94.3 44.5 18 28 A R S < S+ 0 0 98 -4,-2.3 165,-1.8 163,-0.2 2,-0.4 -0.186 73.1 44.3 73.8 -46.1 62.2 94.0 41.3 19 29 A I E S-a 183 0A 0 -2,-2.2 26,-0.3 163,-0.2 165,-0.2 -0.977 72.7-158.5-133.7 118.8 65.0 95.9 39.4 20 30 A L E -a 184 0A 3 163,-3.1 165,-1.7 -2,-0.4 2,-0.4 -0.854 13.0-149.2-100.7 106.2 68.6 95.2 39.9 21 31 A P E -a 185 0A 0 0, 0.0 26,-1.8 0, 0.0 2,-1.1 -0.627 7.3-141.5 -77.3 127.3 70.9 98.1 38.9 22 32 A V E -c 47 0B 7 163,-2.2 2,-0.3 -2,-0.4 26,-0.2 -0.749 28.0-165.7 -91.8 95.8 74.3 97.1 37.5 23 33 A I E -c 48 0B 6 24,-2.7 26,-3.2 -2,-1.1 2,-0.4 -0.613 19.8-173.5 -91.1 141.5 76.6 99.7 38.9 24 34 A T - 0 0 61 -2,-0.3 2,-0.6 24,-0.2 26,-0.1 -0.956 18.7-146.6-131.5 107.7 80.1 100.6 37.9 25 35 A I + 0 0 6 -2,-0.4 29,-0.5 24,-0.4 3,-0.1 -0.677 24.4 170.1 -81.5 116.4 81.8 103.1 40.2 26 36 A A S S+ 0 0 62 -2,-0.6 2,-0.4 1,-0.2 -1,-0.2 0.727 70.4 35.8 -94.9 -25.5 84.2 105.3 38.3 27 37 A R > - 0 0 86 1,-0.1 3,-1.4 27,-0.1 4,-0.3 -0.991 69.0-138.7-133.1 139.7 84.8 107.8 41.2 28 38 A E G > S+ 0 0 87 -2,-0.4 3,-2.3 1,-0.3 4,-0.3 0.940 103.0 60.2 -56.0 -53.8 84.9 107.3 44.9 29 39 A E G 3 S+ 0 0 138 1,-0.3 -1,-0.3 2,-0.1 0, 0.0 0.426 96.3 66.2 -58.3 1.3 82.9 110.5 45.7 30 40 A D G <> S+ 0 0 6 -3,-1.4 4,-1.9 2,-0.1 5,-0.4 0.561 75.7 87.0 -99.5 -13.9 80.0 108.9 43.7 31 41 A I H <> S+ 0 0 7 -3,-2.3 4,-2.4 -4,-0.3 5,-0.1 0.965 96.6 30.1 -51.0 -71.2 79.2 106.0 46.0 32 42 A L H > S+ 0 0 44 -4,-0.3 4,-3.2 2,-0.2 5,-0.3 0.925 119.9 49.8 -59.0 -53.6 76.8 107.6 48.5 33 43 A P H > S+ 0 0 35 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.913 114.5 46.8 -54.6 -42.3 75.1 110.2 46.2 34 44 A L H X S+ 0 0 3 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.940 113.8 48.9 -63.2 -46.7 74.5 107.5 43.6 35 45 A A H X S+ 0 0 1 -4,-2.4 4,-2.6 -5,-0.4 -1,-0.2 0.876 111.2 48.6 -61.5 -40.1 73.2 105.2 46.3 36 46 A D H X S+ 0 0 73 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.869 109.3 53.3 -70.3 -35.7 70.9 107.8 47.8 37 47 A A H X S+ 0 0 8 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.959 113.8 41.5 -62.4 -52.9 69.4 108.8 44.4 38 48 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 3,-0.7 0.969 114.0 52.7 -59.3 -53.3 68.6 105.2 43.5 39 49 A A H ><5S+ 0 0 14 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.868 107.9 50.7 -50.6 -43.7 67.3 104.5 47.1 40 50 A A H 3<5S+ 0 0 64 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.828 105.8 56.5 -65.2 -32.9 64.9 107.5 47.0 41 51 A G T <<5S- 0 0 9 -4,-1.5 169,-0.3 -3,-0.7 -1,-0.3 0.516 129.9 -96.3 -76.4 -5.2 63.6 106.4 43.6 42 52 A G T < 5S+ 0 0 22 -3,-1.3 2,-0.9 -4,-0.5 -3,-0.2 0.437 87.3 125.0 105.8 0.8 62.6 103.1 45.3 43 53 A I < + 0 0 1 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.2 -0.815 19.6 158.2 -98.3 100.1 65.7 101.0 44.3 44 54 A R + 0 0 139 -2,-0.9 26,-2.4 -28,-0.2 2,-0.5 0.441 53.6 74.6-100.5 -3.5 67.1 99.5 47.5 45 55 A T E - d 0 70B 10 -26,-0.3 2,-0.3 24,-0.2 26,-0.2 -0.962 64.2-173.3-114.7 121.7 69.1 96.5 46.1 46 56 A L E - d 0 71B 1 24,-2.2 26,-2.7 -2,-0.5 2,-0.6 -0.846 20.7-152.0-117.5 151.0 72.3 97.3 44.3 47 57 A E E -cd 22 72B 3 -26,-1.8 -24,-2.7 -2,-0.3 2,-0.6 -0.935 14.1-163.7-121.0 104.1 74.8 95.3 42.3 48 58 A V E -cd 23 73B 1 24,-2.7 26,-2.5 -2,-0.6 -24,-0.2 -0.799 14.3-145.3 -90.4 120.9 78.3 96.8 42.4 49 59 A T E - d 0 74B 0 -26,-3.2 3,-0.5 -2,-0.6 -24,-0.4 -0.525 15.5-135.7 -86.2 153.5 80.4 95.4 39.6 50 60 A L S S+ 0 0 38 24,-2.0 25,-0.1 1,-0.2 -1,-0.1 0.078 74.8 115.4 -90.7 23.2 84.1 94.7 40.0 51 61 A R S S+ 0 0 140 4,-0.1 2,-0.3 3,-0.1 -1,-0.2 0.550 77.8 36.6 -70.6 -7.0 84.5 96.3 36.5 52 62 A S S > S- 0 0 31 -3,-0.5 3,-1.6 1,-0.1 4,-0.3 -0.932 89.8-108.3-140.9 163.8 86.5 99.0 38.1 53 63 A Q T >> S+ 0 0 177 -2,-0.3 3,-0.6 1,-0.3 4,-0.5 0.862 114.8 63.3 -58.7 -39.4 89.1 99.4 41.0 54 64 A H H 3> S+ 0 0 38 -29,-0.5 4,-2.1 1,-0.2 -1,-0.3 0.407 76.5 98.9 -70.0 4.2 86.5 101.1 43.1 55 65 A G H <> S+ 0 0 0 -3,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.967 85.6 36.1 -56.0 -62.5 84.4 98.0 43.2 56 66 A L H <> S+ 0 0 58 -3,-0.6 4,-2.0 -4,-0.3 5,-0.2 0.916 115.5 53.4 -60.4 -47.8 85.4 96.6 46.5 57 67 A K H X S+ 0 0 93 -4,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.907 107.8 54.0 -55.5 -40.5 85.8 99.9 48.3 58 68 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.920 106.1 50.3 -59.5 -47.6 82.2 100.7 47.2 59 69 A I H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.880 113.4 47.7 -58.7 -39.0 80.8 97.5 48.7 60 70 A Q H X S+ 0 0 99 -4,-2.0 4,-1.5 2,-0.2 5,-0.2 0.954 111.9 46.7 -68.1 -52.9 82.5 98.3 52.0 61 71 A V H >X S+ 0 0 22 -4,-2.8 4,-2.7 1,-0.2 3,-0.6 0.940 115.1 47.8 -55.8 -48.2 81.5 101.9 52.2 62 72 A L H 3X S+ 0 0 5 -4,-2.8 4,-1.4 1,-0.2 7,-0.3 0.820 110.3 52.2 -63.6 -31.8 77.9 101.0 51.3 63 73 A R H 3< S+ 0 0 81 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.731 117.6 37.0 -78.3 -20.3 77.8 98.1 53.9 64 74 A E H << S+ 0 0 131 -4,-1.5 -2,-0.2 -3,-0.6 -3,-0.2 0.782 129.4 28.7 -99.4 -32.4 79.0 100.4 56.7 65 75 A Q H < S+ 0 0 88 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.657 127.6 37.3-104.1 -19.8 77.2 103.6 55.9 66 76 A R >< + 0 0 47 -4,-1.4 3,-2.3 -5,-0.4 -1,-0.2 -0.351 64.1 153.4-127.1 53.2 74.1 102.4 54.1 67 77 A P T 3 + 0 0 84 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.679 67.8 68.5 -56.0 -18.0 73.3 99.2 56.1 68 78 A E T 3 S+ 0 0 127 -3,-0.1 2,-0.2 2,-0.1 -5,-0.1 0.718 88.9 77.9 -75.1 -21.1 69.6 99.6 55.1 69 79 A L S < S- 0 0 4 -3,-2.3 2,-0.8 -7,-0.3 -24,-0.2 -0.616 82.7-127.5 -89.6 148.1 70.4 98.9 51.4 70 80 A C E -d 45 0B 28 -26,-2.4 -24,-2.2 -2,-0.2 2,-0.5 -0.861 32.5-170.7 -97.4 109.4 71.0 95.3 50.2 71 81 A V E +d 46 0B 0 -2,-0.8 20,-3.1 -26,-0.2 21,-0.3 -0.882 9.0 175.2-109.8 125.4 74.3 95.4 48.3 72 82 A G E -d 47 0B 0 -26,-2.7 -24,-2.7 -2,-0.5 2,-0.3 -0.745 25.1-119.5-119.0 167.9 75.7 92.5 46.2 73 83 A A E -de 48 93B 0 19,-2.5 21,-2.2 -2,-0.2 2,-0.3 -0.820 26.5-170.3-110.5 150.4 78.8 92.2 44.0 74 84 A G E +d 49 0B 0 -26,-2.5 -24,-2.0 -2,-0.3 21,-0.2 -0.855 56.2 43.9-134.4 170.5 79.0 91.5 40.3 75 85 A T + 0 0 26 19,-0.3 2,-0.9 -2,-0.3 20,-0.2 0.879 63.5 165.6 62.5 40.2 81.5 90.6 37.5 76 86 A V + 0 0 0 18,-1.2 -1,-0.2 -3,-0.2 3,-0.0 -0.809 9.9 177.2 -87.7 107.9 83.2 88.1 39.8 77 87 A L + 0 0 98 -2,-0.9 2,-0.3 -3,-0.1 25,-0.2 0.589 55.5 18.9 -92.8 -12.4 85.3 86.1 37.3 78 88 A D S > S- 0 0 42 23,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.954 79.5 -98.9-151.6 171.3 87.1 83.7 39.6 79 89 A R H > S+ 0 0 145 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.816 120.0 58.0 -60.7 -30.5 87.3 82.0 43.0 80 90 A S H > S+ 0 0 74 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.948 109.9 41.0 -65.2 -50.2 89.8 84.6 44.1 81 91 A M H > S+ 0 0 60 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.839 111.8 58.0 -65.5 -34.8 87.5 87.6 43.3 82 92 A F H X S+ 0 0 4 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.919 107.2 47.0 -61.8 -44.0 84.6 85.6 44.8 83 93 A A H X S+ 0 0 57 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.887 110.8 53.8 -65.2 -39.7 86.5 85.3 48.1 84 94 A A H >X S+ 0 0 39 -4,-1.8 4,-2.1 1,-0.2 3,-0.9 0.973 108.9 45.0 -59.3 -60.7 87.4 89.0 48.0 85 95 A V H 3X>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.3 4,-1.1 0.861 108.7 59.2 -53.5 -38.1 83.9 90.4 47.6 86 96 A E H 3<5S+ 0 0 59 -4,-1.6 -1,-0.3 -5,-0.3 3,-0.3 0.877 109.6 42.5 -60.6 -36.9 82.7 88.0 50.3 87 97 A A H <<5S+ 0 0 91 -4,-1.4 -1,-0.2 -3,-0.9 -2,-0.2 0.815 105.5 63.7 -77.0 -33.0 85.1 89.6 52.8 88 98 A A H <5S- 0 0 14 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.736 123.6-102.5 -63.4 -22.6 84.3 93.1 51.6 89 99 A G T <5 + 0 0 25 -4,-1.1 -3,-0.2 -3,-0.3 -18,-0.2 0.546 59.1 166.0 112.7 9.3 80.7 92.4 52.9 90 100 A A < - 0 0 4 -5,-2.0 -18,-0.2 1,-0.1 -1,-0.2 -0.275 29.5-149.8 -57.3 140.4 78.7 91.7 49.7 91 101 A Q S S+ 0 0 55 -20,-3.1 2,-0.3 1,-0.3 -19,-0.2 0.578 76.8 0.1 -90.0 -11.8 75.3 90.1 50.5 92 102 A F S S- 0 0 2 -21,-0.3 -19,-2.5 19,-0.2 2,-0.4 -0.957 70.6-126.5-167.6 159.2 75.2 88.1 47.3 93 103 A V E -ef 73 113B 0 19,-2.3 21,-3.5 -2,-0.3 2,-0.3 -0.932 16.2-169.6-122.2 144.1 77.3 87.5 44.2 94 104 A V E - f 0 114B 1 -21,-2.2 -18,-1.2 -2,-0.4 -19,-0.3 -0.963 3.8-169.7-129.4 143.9 76.4 87.8 40.5 95 105 A T - 0 0 1 19,-1.3 40,-0.1 -2,-0.3 -18,-0.1 -0.937 28.8-132.8-133.3 155.0 78.4 86.6 37.5 96 106 A P S S- 0 0 46 0, 0.0 2,-0.3 0, 0.0 41,-0.1 0.732 90.6 -10.5 -76.1 -24.7 78.1 87.2 33.7 97 107 A G S S- 0 0 28 39,-0.1 19,-0.6 21,-0.0 2,-0.3 -0.870 77.6 -99.1-156.6-173.7 78.6 83.4 33.0 98 108 A I + 0 0 27 -2,-0.3 2,-0.3 17,-0.1 3,-0.1 -0.856 23.1 177.7-125.6 158.1 79.6 80.2 34.7 99 109 A T > - 0 0 70 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.927 45.4-105.2-144.2 164.3 82.6 77.9 35.2 100 110 A E H > S+ 0 0 94 -2,-0.3 4,-1.7 2,-0.2 5,-0.2 0.936 119.1 49.6 -59.1 -46.7 83.1 74.7 37.2 101 111 A D H >> S+ 0 0 92 1,-0.2 4,-2.8 2,-0.2 3,-1.0 0.981 109.8 47.4 -55.7 -66.7 85.1 76.6 39.8 102 112 A I H 3> S+ 0 0 6 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.862 110.3 54.0 -43.5 -45.8 82.8 79.5 40.4 103 113 A L H 3< S+ 0 0 0 -4,-2.1 4,-0.5 1,-0.2 -1,-0.3 0.861 112.0 43.4 -61.2 -37.3 79.8 77.1 40.7 104 114 A E H XX S+ 0 0 90 -4,-1.7 4,-1.6 -3,-1.0 3,-0.9 0.858 108.2 60.2 -75.7 -33.1 81.6 75.1 43.4 105 115 A A H 3X S+ 0 0 20 -4,-2.8 4,-1.4 1,-0.3 -2,-0.2 0.866 103.8 51.0 -60.7 -35.1 82.7 78.4 45.0 106 116 A G H 3< S+ 0 0 1 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.683 104.9 57.0 -76.2 -18.0 79.1 79.3 45.5 107 117 A V H <4 S+ 0 0 48 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.819 113.7 38.5 -80.0 -32.3 78.4 76.0 47.1 108 118 A D H < S+ 0 0 132 -4,-1.6 -2,-0.2 -3,-0.0 -1,-0.2 0.672 99.5 97.0 -89.9 -21.3 81.0 76.6 49.8 109 119 A S < - 0 0 7 -4,-1.4 4,-0.1 -5,-0.2 -26,-0.0 -0.181 68.9-139.3 -67.7 163.7 80.2 80.3 50.2 110 120 A E S S+ 0 0 110 2,-0.1 -1,-0.1 -104,-0.0 -4,-0.0 0.795 86.6 64.6 -91.4 -35.1 78.0 81.7 53.0 111 121 A I S S- 0 0 18 1,-0.1 -19,-0.2 -21,-0.1 -2,-0.1 -0.683 94.9-103.3 -91.1 144.7 76.3 84.3 50.8 112 122 A P - 0 0 0 0, 0.0 -19,-2.3 0, 0.0 2,-0.4 -0.211 28.2-143.6 -66.2 153.7 74.1 83.2 47.8 113 123 A L E -f 93 0B 8 -21,-0.2 -19,-0.2 -7,-0.2 20,-0.2 -0.976 7.5-160.0-122.5 132.6 75.3 83.3 44.2 114 124 A L E -f 94 0B 1 -21,-3.5 -19,-1.3 -2,-0.4 2,-0.2 -0.902 24.0-155.5-109.1 98.2 73.2 84.2 41.2 115 125 A P - 0 0 0 0, 0.0 20,-2.7 0, 0.0 2,-0.5 -0.506 11.0-124.2 -78.7 144.9 75.1 82.7 38.2 116 126 A G E +g 135 0C 0 -19,-0.6 2,-0.3 18,-0.2 20,-0.2 -0.751 34.1 175.2 -91.7 128.5 74.7 84.1 34.7 117 127 A I E -g 136 0C 1 18,-3.7 20,-2.2 -2,-0.5 -20,-0.0 -0.872 26.2-179.0-129.5 166.2 73.7 81.7 31.9 118 128 A S + 0 0 39 -2,-0.3 -1,-0.1 1,-0.2 18,-0.1 0.590 67.9 39.8-131.8 -31.1 72.9 81.8 28.2 119 129 A T S > S- 0 0 51 1,-0.1 4,-2.0 32,-0.0 -1,-0.2 -0.830 78.3-109.7-128.0 163.8 72.1 78.2 27.1 120 130 A P H > S+ 0 0 58 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.862 117.0 54.9 -57.6 -39.5 70.3 75.0 28.3 121 131 A S H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.918 108.2 48.5 -62.0 -42.2 73.6 73.2 28.8 122 132 A E H > S+ 0 0 63 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.870 109.6 53.0 -65.8 -36.8 74.9 76.0 31.0 123 133 A I H >X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 3,-0.5 0.948 109.4 48.9 -63.2 -47.3 71.7 75.8 33.0 124 134 A M H 3X S+ 0 0 111 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.891 102.9 61.0 -60.1 -40.4 72.2 72.1 33.5 125 135 A M H 3< S+ 0 0 83 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.872 114.9 34.6 -56.2 -36.2 75.8 72.5 34.6 126 136 A G H <<>S+ 0 0 0 -4,-1.3 5,-2.6 -3,-0.5 -1,-0.2 0.729 110.6 63.6 -89.2 -24.5 74.5 74.6 37.5 127 137 A Y H ><5S+ 0 0 84 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.927 98.2 57.1 -62.9 -43.6 71.4 72.6 38.0 128 138 A A T 3<5S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.827 104.9 50.6 -57.1 -35.6 73.5 69.6 38.9 129 139 A L T 3 5S- 0 0 57 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.409 130.5 -92.5 -86.0 4.8 75.2 71.4 41.7 130 140 A G T < 5S+ 0 0 19 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.616 74.0 147.7 99.4 12.8 71.8 72.5 43.1 131 141 A Y < + 0 0 12 -5,-2.6 -1,-0.3 -8,-0.1 3,-0.1 -0.678 11.3 162.1 -84.7 135.5 71.2 75.9 41.5 132 142 A R + 0 0 69 -2,-0.4 27,-1.5 1,-0.2 2,-0.5 0.325 59.2 68.7-130.1 -0.2 67.6 76.8 40.8 133 143 A R E + h 0 159C 42 25,-0.2 2,-0.3 -20,-0.2 27,-0.2 -0.976 63.8 176.0-127.4 116.8 67.9 80.6 40.3 134 144 A F E - 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