==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAY-09 3HEM . COMPND 2 MOLECULE: CYCLOPROPANE-FATTY-ACYL-PHOSPHOLIPID SYNTHASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR Z.LIU,J.C.SACCHETTINI . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.5 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 . 21 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 2 2 0 1 2 0 2 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 12 A Q 0 0 161 0, 0.0 2,-0.1 0, 0.0 120,-0.0 0.000 360.0 360.0 360.0-163.2 102.1 54.8 25.2 2 13 A L - 0 0 38 119,-0.2 140,-0.0 148,-0.1 143,-0.0 -0.347 360.0-145.4 -88.0 147.2 101.9 51.2 23.9 3 14 A K - 0 0 115 -2,-0.1 140,-2.3 140,-0.0 142,-0.2 -0.919 24.1-124.1-109.6 122.1 104.5 48.6 23.0 4 15 A P - 0 0 12 0, 0.0 2,-2.8 0, 0.0 3,-0.3 -0.385 24.2-114.5 -64.2 135.6 103.8 46.2 20.1 5 16 A P > + 0 0 10 0, 0.0 4,-2.0 0, 0.0 5,-0.2 -0.363 56.1 156.5 -64.5 61.6 103.9 42.4 20.8 6 17 A V H > + 0 0 36 -2,-2.8 4,-2.9 1,-0.2 5,-0.2 0.968 65.9 40.4 -61.6 -60.0 107.0 42.0 18.6 7 18 A E H > S+ 0 0 131 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.855 113.9 53.6 -63.0 -38.0 108.6 38.8 19.9 8 19 A A H > S+ 0 0 29 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.941 114.2 42.6 -58.4 -47.8 105.3 37.0 20.5 9 20 A V H >X S+ 0 0 14 -4,-2.0 4,-1.8 1,-0.2 3,-1.3 0.933 111.9 53.8 -65.6 -45.7 104.3 37.7 16.8 10 21 A R H 3X S+ 0 0 53 -4,-2.9 4,-1.4 1,-0.3 -1,-0.2 0.815 96.1 66.9 -60.6 -32.3 107.8 36.8 15.5 11 22 A S H 3< S+ 0 0 60 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.792 116.1 26.4 -62.1 -28.2 107.8 33.4 17.2 12 23 A H H X< S+ 0 0 3 -3,-1.3 3,-1.5 -4,-0.6 -2,-0.2 0.891 125.6 38.8 -94.7 -67.0 105.0 32.3 14.9 13 24 A Y H 3< S+ 0 0 27 -4,-1.8 3,-0.4 1,-0.3 -3,-0.2 0.667 112.0 58.6 -66.5 -18.8 105.0 34.2 11.6 14 25 A D T 3< S+ 0 0 34 -4,-1.4 -1,-0.3 -5,-0.4 3,-0.1 0.053 70.9 111.2 -95.5 24.5 108.8 34.2 11.3 15 26 A K S < S- 0 0 64 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.817 96.9 -57.1 -68.2 -30.5 108.9 30.4 11.4 16 27 A S > - 0 0 21 -3,-0.4 4,-2.4 -4,-0.1 5,-0.3 -0.190 32.4-137.6 147.5 118.7 110.0 30.3 7.7 17 28 A N H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.859 110.5 51.8 -58.3 -38.7 108.5 31.7 4.5 18 29 A E H > S+ 0 0 129 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.908 107.5 53.4 -65.6 -40.2 109.4 28.4 2.7 19 30 A F H > S+ 0 0 2 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.946 113.8 40.0 -57.7 -53.0 107.7 26.5 5.5 20 31 A F H >X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 3,-1.1 0.866 106.6 66.2 -63.5 -37.1 104.4 28.5 5.1 21 32 A K H 3< S+ 0 0 104 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.884 92.4 65.3 -50.5 -38.8 104.9 28.4 1.3 22 33 A L H 3< S+ 0 0 24 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.823 119.2 14.0 -55.2 -38.9 104.4 24.6 1.5 23 34 A W H << S+ 0 0 2 -3,-1.1 223,-0.2 -4,-0.5 224,-0.2 0.563 102.3 90.5-124.8 -12.6 100.8 24.7 2.7 24 35 A L S < S- 0 0 11 -4,-2.4 6,-0.1 1,-0.2 19,-0.1 -0.362 87.6 -94.3 -71.1 166.2 99.3 28.1 2.3 25 36 A D > - 0 0 13 4,-0.4 3,-0.7 1,-0.1 -1,-0.2 -0.012 47.3 -91.1 -66.5-175.1 97.6 28.9 -1.0 26 37 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.850 130.4 52.9 -72.6 -30.6 99.7 30.5 -3.8 27 38 A S T 3 S- 0 0 28 2,-0.1 47,-0.5 46,-0.0 3,-0.1 0.530 107.1-133.0 -75.1 -5.2 98.7 34.0 -2.7 28 39 A M < + 0 0 7 -3,-0.7 2,-0.6 1,-0.2 44,-0.4 0.877 38.8 175.0 51.9 42.6 99.9 32.9 0.8 29 40 A T - 0 0 2 42,-0.1 2,-0.7 1,-0.1 -4,-0.4 -0.711 16.6-163.9 -82.0 122.2 96.8 34.3 2.4 30 41 A Y + 0 0 29 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.1 -0.574 55.3 68.7-110.7 65.7 96.8 33.5 6.1 31 42 A S S S- 0 0 7 -2,-0.7 -2,-0.1 141,-0.0 141,-0.0 -0.962 95.1 -50.8-167.8 168.9 93.2 34.0 7.2 32 43 A C - 0 0 0 -2,-0.3 204,-0.1 1,-0.1 -2,-0.1 -0.227 56.3-140.9 -53.9 127.4 89.7 32.7 6.7 33 44 A A - 0 0 0 202,-0.4 2,-0.3 -4,-0.1 13,-0.2 -0.033 7.1-127.4 -76.9-173.8 88.8 32.2 3.1 34 45 A Y - 0 0 42 11,-0.6 2,-2.1 8,-0.2 3,-0.2 -0.838 9.8-162.3-142.9 99.5 85.4 32.9 1.5 35 46 A F + 0 0 48 -2,-0.3 10,-0.1 1,-0.2 11,-0.0 -0.460 22.4 165.5 -82.9 67.0 83.8 30.2 -0.5 36 47 A E S S+ 0 0 115 -2,-2.1 -1,-0.2 1,-0.2 9,-0.0 0.756 74.3 32.7 -54.3 -30.3 81.4 32.5 -2.2 37 48 A R S > S- 0 0 110 -3,-0.2 3,-2.3 1,-0.0 -1,-0.2 -0.999 88.3-125.4-132.1 136.1 80.7 29.7 -4.6 38 49 A P T 3 S+ 0 0 133 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.574 105.7 54.1 -53.1 -17.0 80.8 26.0 -3.6 39 50 A D T 3 S+ 0 0 111 2,-0.0 2,-0.1 -4,-0.0 -3,-0.0 0.370 75.1 121.5-107.5 5.1 83.4 25.2 -6.3 40 51 A M < - 0 0 17 -3,-2.3 2,-0.1 4,-0.1 -5,-0.0 -0.383 59.7-128.8 -66.2 142.8 86.2 27.7 -5.7 41 52 A T > - 0 0 75 1,-0.1 4,-1.3 -2,-0.1 5,-0.1 -0.281 37.2 -96.6 -71.0 177.3 89.6 26.3 -4.9 42 53 A L H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.950 126.0 52.5 -59.5 -47.1 91.2 27.7 -1.8 43 54 A E H > S+ 0 0 88 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.857 109.4 47.0 -62.0 -37.8 93.2 30.2 -3.9 44 55 A E H > S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.783 110.5 55.0 -71.6 -25.6 90.1 31.5 -5.6 45 56 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 -3,-0.4 -11,-0.6 0.847 104.3 52.7 -76.9 -34.6 88.4 31.7 -2.2 46 57 A Q H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.913 109.8 48.8 -64.0 -43.4 91.2 33.8 -0.8 47 58 A Y H X S+ 0 0 90 -4,-1.7 4,-3.3 1,-0.2 -2,-0.2 0.935 110.6 51.4 -58.9 -43.8 90.7 36.2 -3.8 48 59 A A H X S+ 0 0 12 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.850 111.2 48.1 -63.4 -36.2 86.9 36.1 -3.0 49 60 A K H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.940 112.6 46.6 -68.3 -49.4 87.7 37.0 0.6 50 61 A R H X S+ 0 0 15 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.953 116.3 46.2 -56.9 -50.6 90.0 39.8 -0.3 51 62 A K H X S+ 0 0 87 -4,-3.3 4,-3.0 1,-0.2 5,-0.3 0.972 108.4 55.1 -53.6 -61.1 87.6 41.1 -2.8 52 63 A L H X S+ 0 0 23 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.831 114.2 41.8 -40.4 -46.1 84.6 40.8 -0.4 53 64 A A H >< S+ 0 0 0 -4,-2.2 3,-1.5 2,-0.2 4,-0.4 0.958 113.7 48.9 -68.9 -54.4 86.5 43.0 2.1 54 65 A L H >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.3 5,-0.5 0.841 103.4 63.0 -58.8 -35.3 87.9 45.6 -0.2 55 66 A D H >< S+ 0 0 65 -4,-3.0 3,-0.9 1,-0.3 -1,-0.3 0.796 96.3 59.4 -58.2 -29.5 84.5 46.1 -1.8 56 67 A K T << S+ 0 0 25 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.660 92.8 67.9 -77.2 -13.1 83.2 47.3 1.5 57 68 A L T < S- 0 0 1 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.567 94.1-136.0 -84.9 -9.3 85.7 50.2 1.6 58 69 A N < - 0 0 82 -3,-0.9 2,-0.1 -4,-0.3 -3,-0.1 0.960 35.5-166.7 49.0 54.7 84.2 52.1 -1.3 59 70 A L - 0 0 25 -5,-0.5 -1,-0.1 4,-0.0 26,-0.0 -0.451 14.2-165.7 -73.9 143.4 87.7 52.7 -2.6 60 71 A E > - 0 0 111 -2,-0.1 3,-1.5 -3,-0.1 23,-0.1 -0.925 35.8 -90.0-122.5 154.6 88.4 55.2 -5.3 61 72 A P T 3 S+ 0 0 87 0, 0.0 24,-0.3 0, 0.0 23,-0.1 -0.296 111.9 29.6 -63.7 149.1 91.6 55.4 -7.3 62 73 A G T 3 S+ 0 0 30 22,-2.2 23,-0.1 1,-0.3 24,-0.1 0.020 91.5 125.2 90.7 -28.5 94.3 57.6 -5.8 63 74 A M < - 0 0 24 -3,-1.5 23,-2.4 21,-0.1 2,-0.6 -0.102 63.2-117.6 -56.3 159.9 93.0 56.9 -2.2 64 75 A T E -a 86 0A 25 21,-0.2 64,-1.9 -3,-0.1 65,-1.8 -0.928 25.3-163.6-109.0 124.3 95.4 55.6 0.4 65 76 A L E -ab 87 129A 1 21,-2.9 23,-2.8 -2,-0.6 2,-0.6 -0.895 4.5-156.1-106.0 128.0 94.7 52.2 2.0 66 77 A L E -ab 88 130A 0 63,-2.1 65,-2.7 -2,-0.5 2,-0.6 -0.921 5.1-162.9-103.0 124.2 96.3 51.1 5.2 67 78 A D E > -ab 89 131A 2 21,-3.2 23,-3.0 -2,-0.6 2,-0.6 -0.931 7.7-154.0-107.7 113.3 96.5 47.4 5.7 68 79 A I E 3 S+a 90 0A 4 63,-2.7 65,-0.3 -2,-0.6 23,-0.1 -0.759 81.7 6.4 -92.6 116.7 97.2 46.5 9.3 69 80 A G T 3 S- 0 0 24 21,-1.8 64,-0.3 -2,-0.6 -1,-0.3 0.955 79.6-171.7 73.1 59.4 98.9 43.1 9.7 70 81 A C X - 0 0 4 20,-2.2 3,-2.7 -3,-0.5 5,-0.3 0.320 9.6-165.2 -76.1 9.7 99.3 42.8 6.0 71 82 A G T 3 - 0 0 16 19,-0.3 -1,-0.2 1,-0.3 29,-0.2 -0.122 66.3 -14.2 49.3-126.5 100.6 39.3 6.2 72 83 A W T 3 S- 0 0 6 -44,-0.4 -1,-0.3 -3,-0.1 -43,-0.1 0.075 98.4-102.7-102.2 22.9 102.2 38.2 3.0 73 84 A G S X> S+ 0 0 6 -3,-2.7 4,-3.1 1,-0.1 3,-0.7 0.066 82.6 125.3 93.5 -24.8 100.9 41.1 0.9 74 85 A S H 3> S+ 0 0 15 -47,-0.5 4,-1.4 1,-0.3 5,-0.1 0.790 80.3 47.3 -37.7 -40.7 98.0 39.4 -1.0 75 86 A T H 3> S+ 0 0 9 -5,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.917 116.1 42.3 -73.9 -43.4 95.6 42.1 0.2 76 87 A M H <> S+ 0 0 1 -3,-0.7 4,-1.9 -6,-0.3 3,-0.3 0.972 115.4 49.0 -63.0 -54.0 97.8 45.0 -0.6 77 88 A R H X S+ 0 0 78 -4,-3.1 4,-1.5 1,-0.3 -1,-0.2 0.793 114.8 46.7 -60.4 -27.5 98.9 43.6 -3.9 78 89 A H H X S+ 0 0 13 -4,-1.4 4,-2.5 -5,-0.4 -1,-0.3 0.815 106.6 57.9 -82.4 -32.6 95.3 43.0 -4.8 79 90 A A H X S+ 0 0 0 -4,-1.8 4,-0.7 -3,-0.3 6,-0.7 0.841 110.5 42.7 -70.7 -34.1 94.1 46.4 -3.6 80 91 A V H X S+ 0 0 11 -4,-1.9 4,-2.0 4,-0.2 3,-0.4 0.951 116.0 48.0 -72.6 -52.1 96.5 48.2 -6.0 81 92 A A H < S+ 0 0 70 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.1 0.880 123.4 29.9 -57.0 -43.7 95.7 45.8 -9.0 82 93 A E H < S+ 0 0 105 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.495 135.5 22.8-101.3 -4.3 91.9 45.9 -8.7 83 94 A Y H < S- 0 0 44 -4,-0.7 -3,-0.2 -3,-0.4 -2,-0.2 0.521 88.8-130.1-136.9 -20.3 91.3 49.4 -7.2 84 95 A D < + 0 0 53 -4,-2.0 -22,-2.2 -5,-0.4 2,-0.3 0.949 55.0 143.5 63.8 50.8 94.3 51.5 -8.1 85 96 A V - 0 0 0 -6,-0.7 2,-0.3 -24,-0.3 -1,-0.2 -0.814 55.6-110.1-112.2 158.5 95.0 52.9 -4.6 86 97 A N E -a 64 0A 5 -23,-2.4 -21,-2.9 -2,-0.3 2,-0.4 -0.685 41.1-151.0 -79.5 143.3 98.2 53.6 -2.9 87 98 A V E -ac 65 113A 1 25,-2.8 27,-2.8 -2,-0.3 2,-0.4 -0.958 21.1-168.8-125.5 138.9 98.9 51.1 -0.1 88 99 A I E -ac 66 114A 10 -23,-2.8 -21,-3.2 -2,-0.4 2,-0.4 -0.993 16.0-161.6-116.8 126.0 100.7 51.1 3.3 89 100 A G E -ac 67 115A 0 25,-3.6 27,-2.8 -2,-0.4 2,-0.5 -0.896 3.0-156.8-110.3 132.7 101.1 47.7 5.0 90 101 A L E +ac 68 116A 3 -23,-3.0 -20,-2.2 -2,-0.4 -21,-1.8 -0.904 25.5 149.8-106.2 131.8 102.0 47.2 8.6 91 102 A T E - c 0 117A 8 25,-1.9 27,-0.6 -2,-0.5 -2,-0.0 -0.973 38.6-154.6-150.9 162.7 103.6 44.0 9.9 92 103 A L + 0 0 22 -2,-0.3 2,-0.4 25,-0.2 -82,-0.1 0.343 68.0 101.7-118.4 -0.3 106.0 42.9 12.7 93 104 A S > - 0 0 0 1,-0.2 4,-1.6 -22,-0.1 5,-0.1 -0.722 57.4-157.2 -88.5 134.2 107.3 39.9 10.9 94 105 A E H > S+ 0 0 101 -2,-0.4 4,-3.3 2,-0.2 5,-0.2 0.933 97.1 49.2 -71.0 -46.2 110.8 40.2 9.3 95 106 A N H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.911 111.8 46.9 -58.0 -48.1 109.9 37.3 6.9 96 107 A Q H > S+ 0 0 10 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.906 114.8 48.0 -61.6 -41.9 106.6 38.8 5.8 97 108 A Y H X S+ 0 0 78 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.953 110.7 50.4 -64.6 -51.0 108.2 42.2 5.3 98 109 A A H X S+ 0 0 55 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.899 115.9 43.4 -47.9 -47.7 111.1 40.7 3.3 99 110 A H H X S+ 0 0 23 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.898 112.2 48.7 -74.2 -44.0 108.7 38.9 1.1 100 111 A D H X S+ 0 0 1 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.851 109.7 56.2 -63.8 -33.8 106.1 41.6 0.6 101 112 A K H X S+ 0 0 118 -4,-2.2 4,-0.9 -5,-0.2 3,-0.3 0.939 113.1 38.6 -64.3 -49.3 109.0 44.0 -0.3 102 113 A A H >X S+ 0 0 50 -4,-1.7 4,-1.1 1,-0.2 3,-0.8 0.896 110.5 59.1 -67.0 -42.2 110.2 41.7 -3.0 103 114 A M H 3X S+ 0 0 59 -4,-3.0 4,-0.6 1,-0.3 -1,-0.2 0.744 103.3 56.3 -60.4 -21.2 106.7 40.8 -4.2 104 115 A F H 3< S+ 0 0 20 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.822 93.9 65.2 -79.7 -34.5 106.3 44.5 -4.8 105 116 A D H << S+ 0 0 120 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.923 97.6 60.6 -52.0 -49.7 109.3 44.8 -7.1 106 117 A E H < S+ 0 0 105 -4,-1.1 -2,-0.1 2,-0.0 -3,-0.1 0.915 99.9 41.3 -43.1 -99.2 107.5 42.5 -9.6 107 118 A V S < S- 0 0 81 -4,-0.6 2,-0.3 1,-0.1 -26,-0.0 -0.131 78.7-143.0 -61.9 153.3 104.3 44.1 -10.7 108 119 A D + 0 0 133 2,-0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.880 26.5 153.5-126.2 152.6 104.3 47.9 -11.4 109 120 A S - 0 0 41 -2,-0.3 4,-0.1 2,-0.2 -28,-0.0 -0.944 51.8-114.2-169.8 146.3 101.9 50.9 -10.9 110 121 A P S S+ 0 0 116 0, 0.0 2,-0.3 0, 0.0 -24,-0.1 0.403 91.1 102.8 -63.3 0.9 102.0 54.7 -10.5 111 122 A R S S- 0 0 69 -26,-0.1 -2,-0.2 1,-0.1 2,-0.2 -0.640 83.0-106.8 -90.5 146.5 100.6 53.9 -7.0 112 123 A R - 0 0 143 -2,-0.3 -25,-2.8 1,-0.0 2,-0.5 -0.510 29.9-166.5 -69.6 136.7 102.7 53.9 -3.8 113 124 A K E +c 87 0A 55 -2,-0.2 2,-0.5 -27,-0.2 -25,-0.2 -0.882 15.2 169.7-127.3 100.4 103.5 50.4 -2.4 114 125 A E E -c 88 0A 66 -27,-2.8 -25,-3.6 -2,-0.5 2,-0.4 -0.942 16.0-179.0-120.6 126.0 104.8 50.5 1.1 115 126 A V E -c 89 0A 18 -2,-0.5 2,-0.3 -27,-0.2 -25,-0.2 -0.978 16.8-175.2-111.9 134.6 105.4 47.7 3.6 116 127 A R E -c 90 0A 48 -27,-2.8 -25,-1.9 -2,-0.4 2,-1.4 -0.951 36.5-131.4-127.7 146.8 106.7 48.6 7.1 117 128 A I E S+c 91 0A 65 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.660 70.2 126.3 -87.4 76.5 107.9 46.8 10.2 118 129 A Q - 0 0 34 -2,-1.4 2,-0.2 -27,-0.6 -27,-0.2 -0.977 56.4-128.3-137.7 145.2 105.7 49.1 12.3 119 130 A G >> - 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