==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-DEC-10 3PXU . COMPND 2 MOLECULE: PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 159 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 15.7 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 . 1 0.6 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 . 9 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 0 1 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 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 . 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 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 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 0 A S 0 0 151 0, 0.0 2,-0.5 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 165.3 -35.8 58.5 -5.5 2 1 A M - 0 0 136 27,-0.0 2,-0.5 28,-0.0 27,-0.1 -0.950 360.0-176.7-110.4 120.8 -32.9 56.1 -4.8 3 2 A V - 0 0 43 -2,-0.5 28,-1.3 80,-0.0 27,-1.2 -0.975 8.7-163.8-124.4 122.0 -32.7 53.1 -7.1 4 3 A V E -ab 31 83A 21 78,-0.5 80,-1.7 -2,-0.5 81,-1.1 -0.874 8.6-166.2-102.8 135.3 -30.1 50.3 -6.7 5 4 A A E -ab 32 85A 0 26,-2.3 28,-2.9 -2,-0.4 2,-0.4 -0.944 8.8-146.4-119.9 142.4 -29.5 48.0 -9.5 6 5 A V E -ab 33 86A 0 79,-2.8 81,-3.2 -2,-0.4 28,-0.2 -0.908 6.0-166.2-107.2 136.2 -27.7 44.6 -9.4 7 6 A Y E -a 34 0A 12 26,-3.1 28,-2.0 -2,-0.4 2,-0.2 -0.893 20.0-173.4-118.0 96.0 -25.6 43.4 -12.4 8 7 A P E +a 35 0A 5 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.577 17.0 132.0 -94.6 159.0 -24.9 39.8 -11.7 9 8 A G E -a 36 0A 13 26,-1.9 28,-2.5 -2,-0.2 -2,-0.0 -0.962 62.2-105.4 176.3 168.1 -22.6 37.4 -13.7 10 9 A T - 0 0 22 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.858 42.9-166.2 -78.4 -36.4 -19.9 34.8 -13.5 11 10 A F > - 0 0 6 2,-0.2 3,-0.6 1,-0.2 44,-0.1 0.935 5.8-174.4 47.7 63.5 -17.3 37.4 -14.8 12 11 A D T 3 S- 0 0 12 1,-0.7 33,-0.2 33,-0.0 -1,-0.2 -0.619 86.4 -11.3-121.2 69.0 -14.6 34.9 -15.6 13 12 A P T 3 S- 0 0 2 0, 0.0 -1,-0.7 0, 0.0 2,-0.2 0.650 91.6-111.0-101.7 174.0 -12.9 37.3 -16.2 14 13 A L < - 0 0 1 -3,-0.6 131,-0.3 37,-0.2 2,-0.2 -0.473 42.1-157.6 -53.9 123.1 -14.6 40.7 -16.5 15 14 A T > - 0 0 8 -2,-0.2 4,-2.4 129,-0.1 129,-0.3 -0.491 32.9-101.8 -99.2 172.9 -14.3 41.7 -20.2 16 15 A R H > S+ 0 0 49 127,-2.8 4,-1.9 2,-0.2 128,-0.1 0.789 124.3 58.1 -62.1 -30.0 -14.4 45.2 -21.9 17 16 A G H > S+ 0 0 8 126,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.924 107.7 43.8 -64.8 -49.4 -18.1 44.3 -22.7 18 17 A H H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.923 113.6 52.8 -57.4 -46.0 -19.0 43.8 -19.1 19 18 A E H X S+ 0 0 17 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.892 106.4 52.0 -61.5 -37.3 -17.1 47.0 -18.2 20 19 A D H X S+ 0 0 4 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.898 109.2 50.5 -66.4 -37.9 -19.0 49.0 -20.8 21 20 A L H X S+ 0 0 5 -4,-1.8 4,-3.2 1,-0.2 5,-0.3 0.889 108.4 52.7 -64.8 -39.4 -22.3 47.8 -19.4 22 21 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.938 109.7 48.0 -61.0 -50.2 -21.1 48.8 -15.9 23 22 A R H X S+ 0 0 102 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.961 116.7 43.9 -51.0 -54.6 -20.2 52.3 -17.2 24 23 A R H >< S+ 0 0 93 -4,-2.7 3,-0.7 1,-0.2 4,-0.5 0.930 116.1 44.6 -60.2 -49.6 -23.6 52.7 -18.9 25 24 A A H >X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 3,-1.2 0.878 109.8 56.4 -64.7 -38.3 -25.8 51.2 -16.1 26 25 A S H 3< S+ 0 0 10 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.656 99.4 58.8 -73.9 -17.2 -24.0 53.2 -13.4 27 26 A S T << S+ 0 0 92 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.631 114.2 39.2 -80.1 -12.8 -24.7 56.5 -15.1 28 27 A I T <4 S+ 0 0 118 -3,-1.2 -2,-0.2 -4,-0.5 2,-0.2 0.864 110.6 55.5 -98.4 -47.3 -28.5 55.7 -14.8 29 28 A F S < S- 0 0 31 -4,-2.6 -25,-0.1 1,-0.1 3,-0.1 -0.578 77.3-128.3 -92.4 153.2 -28.9 54.1 -11.4 30 29 A D S S+ 0 0 67 -27,-1.2 2,-0.4 1,-0.2 -26,-0.2 0.908 97.4 15.3 -65.0 -44.2 -27.8 55.6 -8.1 31 30 A T E -a 4 0A 31 -28,-1.3 -26,-2.3 2,-0.0 2,-0.5 -0.993 67.2-163.2-132.3 135.1 -25.9 52.5 -7.1 32 31 A L E -ac 5 65A 0 32,-2.7 34,-2.4 -2,-0.4 2,-0.7 -0.989 8.0-161.8-118.8 117.4 -24.8 49.7 -9.3 33 32 A V E -ac 6 66A 0 -28,-2.9 -26,-3.1 -2,-0.5 2,-0.7 -0.897 8.1-150.7-100.7 113.4 -23.8 46.5 -7.5 34 33 A V E -ac 7 67A 0 32,-3.7 34,-2.8 -2,-0.7 2,-0.7 -0.799 15.7-157.1 -79.5 114.3 -21.7 44.2 -9.6 35 34 A G E -ac 8 68A 0 -28,-2.0 -26,-1.9 -2,-0.7 2,-0.9 -0.871 3.7-156.8-102.1 110.5 -22.6 40.7 -8.2 36 35 A V E -ac 9 69A 0 32,-3.1 34,-2.2 -2,-0.7 2,-0.2 -0.782 15.5-144.9 -86.0 108.6 -19.9 38.1 -8.9 37 36 A A E - c 0 70A 17 -28,-2.5 34,-0.2 -2,-0.9 32,-0.0 -0.502 12.3-133.6 -74.0 133.3 -21.7 34.7 -8.7 38 37 A D - 0 0 51 32,-2.7 -1,-0.1 -2,-0.2 33,-0.1 0.894 30.6-172.9 -50.6 -46.0 -19.6 31.9 -7.3 39 38 A S > + 0 0 27 1,-0.1 3,-1.5 4,-0.1 4,-0.4 0.786 13.0 168.8 55.0 38.1 -20.8 29.7 -10.2 40 39 A R G > S+ 0 0 208 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.843 70.9 58.1 -44.9 -46.0 -19.3 26.5 -8.9 41 40 A A G 3 S+ 0 0 95 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.783 100.1 57.1 -61.3 -31.8 -21.1 24.3 -11.5 42 41 A K G < S- 0 0 137 -3,-1.5 -1,-0.3 -32,-0.0 -2,-0.2 0.496 102.6-134.1 -75.7 -5.7 -19.6 26.2 -14.4 43 42 A K < - 0 0 185 -3,-1.9 -3,-0.1 -4,-0.4 -2,-0.1 0.957 27.6-142.9 46.7 65.5 -16.1 25.3 -13.0 44 43 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.214 10.3-131.1 -63.6 146.1 -14.8 28.9 -13.5 45 44 A F S S+ 0 0 33 -33,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.913 95.3 45.2 -61.9 -43.8 -11.2 29.4 -14.7 46 45 A F S S- 0 0 1 1,-0.1 106,-0.0 2,-0.0 2,-0.0 -0.750 93.5-113.4 -98.2 152.4 -10.6 32.0 -11.9 47 46 A S > - 0 0 54 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.286 34.0-104.1 -72.7 166.8 -11.6 31.5 -8.3 48 47 A L H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.908 123.5 50.9 -57.1 -44.9 -14.3 33.8 -6.8 49 48 A E H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 110.9 47.9 -63.4 -40.9 -11.7 35.7 -4.9 50 49 A E H > S+ 0 0 46 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.931 109.8 53.0 -63.4 -41.5 -9.6 36.2 -8.1 51 50 A R H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 -37,-0.2 0.877 109.5 49.3 -64.8 -35.8 -12.7 37.3 -10.0 52 51 A L H X S+ 0 0 37 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.942 112.1 46.5 -64.8 -49.8 -13.5 39.9 -7.4 53 52 A K H X S+ 0 0 97 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.943 112.9 51.1 -58.4 -48.0 -9.9 41.3 -7.4 54 53 A I H X S+ 0 0 0 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.936 114.6 42.6 -51.1 -50.9 -10.0 41.3 -11.2 55 54 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.910 113.0 52.2 -69.5 -41.0 -13.3 43.2 -11.3 56 55 A N H X S+ 0 0 76 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.878 104.8 55.7 -61.8 -39.7 -12.3 45.6 -8.5 57 56 A E H < S+ 0 0 103 -4,-2.6 -1,-0.2 -5,-0.2 4,-0.2 0.907 116.9 36.8 -58.3 -41.2 -9.0 46.6 -10.2 58 57 A V H < S+ 0 0 13 -4,-1.4 3,-0.2 -5,-0.2 -2,-0.2 0.865 128.0 32.4 -79.2 -36.9 -11.0 47.6 -13.3 59 58 A L H >< S+ 0 0 1 -4,-2.8 3,-2.4 1,-0.2 6,-0.2 0.557 85.0 97.0-103.8 -9.5 -14.1 49.1 -11.7 60 59 A G T 3< S+ 0 0 53 -4,-2.3 -1,-0.2 1,-0.3 5,-0.1 0.769 77.4 65.3 -57.4 -29.5 -12.9 50.7 -8.4 61 60 A H T 3 S+ 0 0 128 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.644 78.8 92.4 -69.3 -15.4 -12.6 54.1 -10.0 62 61 A Y X - 0 0 32 -3,-2.4 3,-1.3 1,-0.1 -3,-0.0 -0.735 69.8-151.9 -81.9 120.3 -16.4 54.3 -10.5 63 62 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.783 89.4 41.1 -68.3 -28.8 -17.7 56.0 -7.4 64 63 A N T 3 S+ 0 0 43 -38,-0.1 -32,-2.7 -35,-0.1 2,-0.5 0.100 93.7 100.7-106.3 21.3 -21.2 54.5 -7.3 65 64 A V E < -c 32 0A 18 -3,-1.3 2,-0.4 -34,-0.2 -32,-0.2 -0.916 49.2-170.2-106.8 126.1 -20.2 50.9 -8.3 66 65 A K E -c 33 0A 106 -34,-2.4 -32,-3.7 -2,-0.5 2,-0.5 -0.950 9.2-153.7-111.9 138.7 -19.8 48.2 -5.6 67 66 A V E +c 34 0A 20 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.966 26.6 161.3-110.0 121.6 -18.2 44.8 -6.5 68 67 A M E -c 35 0A 68 -34,-2.8 -32,-3.1 -2,-0.5 2,-0.2 -0.988 29.8-133.2-141.7 148.9 -19.4 41.9 -4.3 69 68 A G E -c 36 0A 26 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.543 16.9-165.8 -93.1 160.2 -19.4 38.1 -4.5 70 69 A F E -c 37 0A 26 -34,-2.2 -32,-2.7 -2,-0.2 4,-0.1 -0.976 17.6-177.3-147.2 142.6 -22.3 35.8 -3.7 71 70 A T S S+ 0 0 114 -2,-0.3 -31,-0.1 -34,-0.2 3,-0.1 0.376 70.3 51.4-110.8 -2.9 -22.4 32.1 -3.2 72 71 A G S S- 0 0 51 1,-0.2 2,-0.2 2,-0.0 -34,-0.1 -0.106 101.1 -30.7-116.1-148.0 -26.2 31.6 -2.8 73 72 A L > - 0 0 139 1,-0.1 4,-1.5 -2,-0.1 -1,-0.2 -0.457 44.1-132.2 -75.3 141.9 -29.4 32.5 -4.5 74 73 A L H > S+ 0 0 27 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.893 108.0 64.4 -54.6 -44.1 -29.6 35.7 -6.6 75 74 A K H > S+ 0 0 96 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.924 104.3 45.6 -43.6 -51.5 -32.9 36.4 -4.8 76 75 A D H > S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.834 113.3 48.3 -67.3 -35.0 -31.0 36.7 -1.5 77 76 A F H X S+ 0 0 10 -4,-1.5 4,-1.2 -3,-0.2 -1,-0.2 0.907 112.1 49.3 -69.4 -44.3 -28.3 38.9 -3.0 78 77 A V H <>S+ 0 0 0 -4,-3.2 5,-2.1 2,-0.2 3,-0.5 0.942 113.6 45.3 -58.7 -52.0 -30.9 41.2 -4.7 79 78 A R H ><5S+ 0 0 84 -4,-2.4 3,-2.1 -5,-0.3 -2,-0.2 0.925 108.5 57.8 -57.8 -43.2 -32.9 41.6 -1.4 80 79 A A H 3<5S+ 0 0 67 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.809 108.7 46.2 -56.9 -33.1 -29.7 42.2 0.6 81 80 A N T 3<5S- 0 0 18 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.295 108.0-123.6 -97.8 9.5 -28.9 45.1 -1.7 82 81 A D T < 5 + 0 0 125 -3,-2.1 -78,-0.5 1,-0.2 2,-0.3 0.875 55.5 165.9 52.7 41.9 -32.4 46.7 -1.6 83 82 A A E < -b 4 0A 0 -5,-2.1 -1,-0.2 1,-0.1 -78,-0.2 -0.692 34.6-179.7 -98.5 139.4 -32.4 46.4 -5.3 84 83 A R E S+ 0 0 112 -80,-1.7 28,-3.2 -2,-0.3 2,-0.4 0.453 70.4 58.3-113.4 -1.4 -35.4 46.8 -7.6 85 84 A V E -bd 5 112A 9 -81,-1.1 -79,-2.8 26,-0.2 2,-0.5 -0.987 57.5-162.4-129.5 135.6 -33.6 46.2 -10.9 86 85 A I E -bd 6 113A 0 26,-2.5 28,-3.0 -2,-0.4 2,-0.4 -0.983 19.8-152.6-108.2 121.0 -31.5 43.4 -12.2 87 86 A V E + d 0 114A 0 -81,-3.2 2,-0.3 -2,-0.5 28,-0.2 -0.791 18.4 174.5 -90.2 135.0 -29.3 44.6 -15.2 88 87 A R E - d 0 115A 33 26,-1.7 28,-2.7 -2,-0.4 2,-0.3 -0.987 27.3-121.3-136.1 148.7 -28.3 42.0 -17.8 89 88 A G E - d 0 116A 21 -2,-0.3 2,-0.4 26,-0.2 28,-0.2 -0.661 20.2-163.2 -87.0 140.3 -26.5 42.4 -21.1 90 89 A L - 0 0 60 26,-2.7 2,-0.3 -2,-0.3 -2,-0.0 -1.000 5.6-175.2-118.7 131.1 -28.0 41.4 -24.4 91 90 A R 0 0 147 -2,-0.4 33,-0.1 1,-0.1 32,-0.0 -0.838 360.0 360.0-109.2 156.3 -25.9 40.9 -27.5 92 91 A A 0 0 134 -2,-0.3 -1,-0.1 31,-0.1 0, 0.0 0.046 360.0 360.0 -75.8 360.0 -27.6 40.1 -30.9 93 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 94 95 A F > 0 0 105 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -18.0 -31.5 34.9 -25.5 95 96 A E H > + 0 0 75 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.975 360.0 40.7 -50.7 -63.7 -32.8 31.5 -24.5 96 97 A Y H > S+ 0 0 149 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.933 113.9 53.9 -53.3 -49.8 -31.1 31.6 -21.1 97 98 A E H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.840 109.9 44.6 -61.5 -40.0 -31.9 35.4 -20.5 98 99 A F H X S+ 0 0 62 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.877 114.6 49.6 -73.9 -35.1 -35.6 35.2 -21.0 99 100 A Q H X S+ 0 0 126 -4,-1.9 4,-3.1 -5,-0.3 5,-0.3 0.958 113.3 46.9 -63.7 -50.3 -35.9 32.0 -18.9 100 101 A M H X S+ 0 0 29 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.944 116.4 43.9 -56.7 -49.4 -33.9 33.6 -16.1 101 102 A A H X S+ 0 0 8 -4,-2.5 4,-1.3 -5,-0.2 -1,-0.2 0.898 114.4 49.9 -63.4 -43.3 -36.0 36.8 -16.3 102 103 A G H X S+ 0 0 23 -4,-2.8 4,-0.8 2,-0.2 3,-0.3 0.916 112.7 46.2 -65.4 -42.0 -39.3 34.9 -16.5 103 104 A M H >X S+ 0 0 132 -4,-3.1 4,-2.2 1,-0.2 3,-0.8 0.885 109.4 55.7 -68.0 -36.4 -38.4 32.7 -13.5 104 105 A N H 3X S+ 0 0 16 -4,-2.4 4,-3.0 -5,-0.3 7,-0.2 0.748 95.3 66.9 -66.7 -23.7 -37.3 35.9 -11.6 105 106 A R H 3< S+ 0 0 172 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.844 109.2 37.7 -63.6 -32.2 -40.7 37.3 -12.2 106 107 A Y H << S+ 0 0 83 -3,-0.8 -2,-0.2 -4,-0.8 -1,-0.2 0.889 122.9 42.0 -83.5 -38.7 -42.0 34.6 -9.9 107 108 A L H < S+ 0 0 85 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.827 131.1 23.2 -75.8 -34.5 -39.1 34.7 -7.4 108 109 A L S >< S+ 0 0 0 -4,-3.0 3,-1.8 -5,-0.2 -1,-0.3 -0.687 72.7 175.2-131.9 77.2 -38.7 38.5 -7.3 109 110 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.812 78.5 42.3 -68.9 -30.5 -42.1 39.9 -8.3 110 111 A D T 3 S+ 0 0 74 2,-0.1 2,-0.4 -25,-0.0 -5,-0.1 0.333 95.8 96.5 -90.9 7.4 -41.4 43.6 -7.7 111 112 A V < - 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