==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JUL-12 4G76 . COMPND 2 MOLECULE: PHOSPHODIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR T.TOUZE,M.GRAILLE,D.MENGIN-LECREULX . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14169.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 12.4 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 . 2 0.7 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 . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0 0 1 1 1 1 2 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 3 A X 0 0 173 0, 0.0 2,-0.7 0, 0.0 97,-0.1 0.000 360.0 360.0 360.0 104.7 7.8 17.2 -12.9 2 4 A D + 0 0 38 100,-0.2 137,-0.1 1,-0.1 99,-0.0 -0.857 360.0 174.5-109.9 106.3 6.6 13.7 -13.8 3 5 A L - 0 0 24 -2,-0.7 201,-0.2 135,-0.1 -1,-0.1 0.144 53.6-111.0 -98.7 19.6 9.2 10.9 -13.3 4 6 A G S S+ 0 0 4 1,-0.1 200,-0.1 199,-0.1 199,-0.1 0.824 79.7 123.9 64.3 39.5 6.6 8.2 -14.2 5 7 A T + 0 0 103 2,-0.1 2,-0.3 198,-0.1 -1,-0.1 0.781 62.3 67.3 -94.3 -33.4 6.2 6.5 -10.9 6 8 A T S S- 0 0 90 1,-0.0 2,-0.2 0, 0.0 -2,-0.1 -0.657 77.7-131.1 -92.5 142.6 2.4 7.0 -10.7 7 9 A T - 0 0 116 -2,-0.3 2,-0.3 43,-0.0 42,-0.1 -0.596 21.1-157.0 -80.5 146.9 -0.2 5.4 -13.0 8 10 A I - 0 0 55 -2,-0.2 2,-0.5 40,-0.1 40,-0.0 -0.861 19.7-113.1-119.5 163.8 -2.9 7.4 -14.7 9 11 A V + 0 0 141 -2,-0.3 2,-0.3 39,-0.0 36,-0.0 -0.819 45.7 162.5 -91.9 129.5 -6.3 6.6 -16.1 10 12 A A - 0 0 25 -2,-0.5 2,-0.3 35,-0.1 39,-0.0 -0.994 18.8-171.2-152.3 142.8 -6.5 7.0 -19.9 11 13 A G > - 0 0 31 -2,-0.3 3,-2.8 1,-0.1 4,-0.3 -0.875 44.8 -97.8-127.5 164.1 -8.7 5.9 -22.7 12 14 A Q G > S+ 0 0 70 -2,-0.3 3,-2.1 1,-0.3 7,-0.3 0.850 119.5 64.6 -44.1 -40.7 -8.5 6.1 -26.5 13 15 A G G 3 S+ 0 0 42 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.619 86.0 70.6 -66.0 -13.8 -10.7 9.2 -26.4 14 16 A D G < S+ 0 0 70 -3,-2.8 2,-0.5 27,-0.1 -1,-0.3 0.650 88.0 82.4 -73.8 -11.8 -8.1 11.1 -24.5 15 17 A F <> - 0 0 0 -3,-2.1 4,-2.5 -4,-0.3 3,-0.4 -0.837 66.1-154.0-109.6 123.2 -6.0 11.2 -27.7 16 18 A S H > S+ 0 0 67 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.798 97.3 56.9 -57.2 -36.1 -6.5 13.6 -30.6 17 19 A A H > S+ 0 0 6 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.910 111.1 45.2 -63.5 -40.8 -5.0 11.3 -33.2 18 20 A Y H > S+ 0 0 37 -3,-0.4 4,-2.8 -6,-0.3 -2,-0.2 0.947 112.6 48.7 -64.6 -52.1 -7.7 8.8 -32.2 19 21 A N H X S+ 0 0 71 -4,-2.5 4,-0.7 -7,-0.3 -2,-0.2 0.842 110.3 53.6 -61.2 -31.9 -10.5 11.3 -32.1 20 22 A Y H < S+ 0 0 104 -4,-2.2 3,-0.3 -5,-0.2 -1,-0.3 0.882 112.7 43.2 -66.8 -39.4 -9.4 12.5 -35.5 21 23 A G H < S+ 0 0 1 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.856 113.8 50.8 -72.4 -35.8 -9.5 8.9 -36.8 22 24 A N H < S+ 0 0 97 -4,-2.8 2,-0.9 -5,-0.1 -1,-0.2 0.484 82.9 102.8 -85.4 -5.2 -12.8 8.1 -35.1 23 25 A N >< - 0 0 76 -4,-0.7 3,-2.2 -3,-0.3 4,-0.3 -0.711 58.5-160.7 -82.4 103.8 -14.6 11.3 -36.5 24 26 A G G > S+ 0 0 56 -2,-0.9 3,-2.2 1,-0.3 -1,-0.2 0.834 84.8 67.7 -56.9 -38.6 -16.8 10.0 -39.3 25 27 A A G 3 S+ 0 0 92 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.729 95.7 59.4 -52.6 -24.0 -17.1 13.4 -40.9 26 28 A N G < S+ 0 0 61 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.649 104.8 49.5 -81.9 -15.8 -13.4 13.2 -41.7 27 29 A W < + 0 0 55 -3,-2.2 -1,-0.2 -4,-0.3 4,-0.1 -0.871 49.9 176.2-135.1 100.8 -13.6 10.1 -43.8 28 30 A P S S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.694 79.4 30.6 -70.0 -21.2 -16.2 9.7 -46.6 29 31 A A S S- 0 0 57 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.971 98.5 -86.5-140.7 152.4 -14.7 6.3 -47.5 30 32 A P - 0 0 137 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.213 54.3-178.3 -56.7 152.8 -12.9 3.4 -45.7 31 33 A S > - 0 0 32 1,-0.1 4,-1.9 -4,-0.1 5,-0.1 -0.935 42.7-140.9-162.7 129.5 -9.2 4.1 -45.6 32 34 A P H > S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 46,-0.2 0.872 109.8 57.7 -56.6 -37.0 -6.0 2.5 -44.3 33 35 A A H > S+ 0 0 36 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.908 103.0 51.4 -60.3 -43.3 -5.0 6.0 -43.2 34 36 A Q H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.927 107.9 53.2 -60.5 -40.5 -8.1 6.3 -41.0 35 37 A V H X S+ 0 0 50 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.901 104.7 55.8 -60.5 -40.1 -7.1 3.0 -39.5 36 38 A G H X S+ 0 0 7 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.924 106.8 48.9 -57.1 -46.6 -3.7 4.4 -38.7 37 39 A Y H >X S+ 0 0 27 -4,-2.0 4,-0.6 1,-0.2 3,-0.6 0.947 112.2 48.7 -60.0 -49.7 -5.2 7.3 -36.8 38 40 A I H >X S+ 0 0 38 -4,-2.3 3,-2.0 1,-0.2 4,-0.6 0.934 106.3 56.4 -51.0 -53.8 -7.4 4.9 -34.8 39 41 A S H 3X S+ 0 0 14 -4,-2.9 4,-1.6 1,-0.3 -1,-0.2 0.788 95.0 67.0 -54.8 -31.2 -4.6 2.6 -34.0 40 42 A K H X S+ 0 0 4 -4,-1.6 4,-2.3 1,-0.2 3,-0.6 0.930 108.2 52.5 -63.1 -42.8 -0.9 2.4 -28.4 44 46 A D H 3X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.830 102.0 60.6 -59.1 -33.4 -1.0 5.9 -26.8 45 47 A V H 3< S+ 0 0 27 -4,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.879 109.4 42.1 -63.8 -35.4 -3.0 4.3 -23.9 46 48 A A H X<>S+ 0 0 13 -4,-1.3 5,-2.1 -3,-0.6 3,-1.2 0.901 110.6 57.3 -75.9 -40.3 -0.0 2.0 -23.3 47 49 A Y H ><5S+ 0 0 2 -4,-2.3 3,-2.0 1,-0.3 -2,-0.2 0.861 96.2 60.6 -61.4 -39.8 2.6 4.8 -23.7 48 50 A V T 3<5S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.3 91,-0.2 0.694 110.3 43.8 -68.6 -14.9 1.2 7.1 -21.0 49 51 A N T < 5S- 0 0 58 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.239 119.5-108.6-109.9 12.5 1.9 4.4 -18.5 50 52 A G T < 5S+ 0 0 0 -3,-2.0 2,-1.9 1,-0.2 3,-0.3 0.561 76.4 134.6 80.6 8.1 5.3 3.4 -19.8 51 53 A D < + 0 0 56 -5,-2.1 -1,-0.2 1,-0.2 -3,-0.1 -0.523 26.3 142.2 -84.8 71.3 4.2 0.1 -21.3 52 54 A W > + 0 0 6 -2,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.739 48.0 64.1 -93.8 -25.8 6.2 1.0 -24.4 53 55 A E H > S+ 0 0 5 -3,-0.3 4,-3.0 2,-0.2 5,-0.3 0.908 97.4 55.8 -69.9 -41.4 7.7 -2.3 -25.6 54 56 A K H > S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.955 105.3 49.1 -58.6 -54.6 4.5 -4.2 -26.4 55 57 A P H > S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.879 117.3 43.4 -52.5 -40.2 3.0 -1.6 -28.8 56 58 A L H X S+ 0 0 0 -4,-1.2 4,-3.2 2,-0.2 5,-0.2 0.919 112.5 49.9 -76.2 -43.8 6.3 -1.4 -30.8 57 59 A L H X S+ 0 0 2 -4,-3.0 4,-3.4 1,-0.2 5,-0.2 0.900 108.5 54.9 -58.9 -39.4 7.0 -5.1 -30.8 58 60 A A H X S+ 0 0 0 -4,-2.8 4,-1.4 -5,-0.3 -1,-0.2 0.917 112.2 43.5 -61.4 -41.8 3.5 -5.7 -32.1 59 61 A L H X S+ 0 0 3 -4,-1.4 4,-2.5 -5,-0.2 3,-0.3 0.955 116.5 45.1 -68.1 -51.4 4.1 -3.4 -35.0 60 62 A W H X S+ 0 0 5 -4,-3.2 4,-3.5 1,-0.2 5,-0.3 0.926 108.5 58.0 -59.1 -44.2 7.6 -4.7 -35.8 61 63 A A H <>S+ 0 0 4 -4,-3.4 5,-2.5 -5,-0.2 6,-0.5 0.862 110.3 43.5 -55.1 -38.8 6.4 -8.3 -35.5 62 64 A Q H ><5S+ 0 0 26 -4,-1.4 3,-0.9 -3,-0.3 -1,-0.2 0.948 114.9 49.5 -67.9 -50.4 3.8 -7.6 -38.2 63 65 A W H 3<5S+ 0 0 53 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.903 120.6 35.0 -53.5 -47.8 6.3 -5.7 -40.3 64 66 A A T 3<5S- 0 0 39 -4,-3.5 -1,-0.3 -5,-0.2 -2,-0.2 0.380 107.3-126.3 -91.1 1.6 8.9 -8.5 -40.0 65 67 A N T < 5 + 0 0 140 -3,-0.9 -3,-0.2 -5,-0.3 -4,-0.1 0.957 46.6 163.4 49.1 61.4 6.3 -11.2 -40.1 66 68 A W < - 0 0 33 -5,-2.5 -4,-0.1 -6,-0.1 -1,-0.1 0.810 40.6-138.6 -74.1 -31.2 7.5 -12.9 -36.9 67 69 A G + 0 0 82 -6,-0.5 2,-0.1 1,-0.2 3,-0.1 0.735 61.4 125.3 75.3 24.3 4.2 -14.9 -36.6 68 70 A T - 0 0 69 1,-0.2 -1,-0.2 -7,-0.1 -2,-0.1 -0.426 68.2 -54.7-109.6-178.8 4.3 -14.1 -32.9 69 71 A T - 0 0 87 1,-0.1 -1,-0.2 -2,-0.1 -8,-0.1 -0.227 31.6-158.0 -59.7 140.7 1.9 -12.6 -30.3 70 72 A L > - 0 0 42 3,-0.1 3,-2.4 -3,-0.1 -1,-0.1 0.183 38.9-121.8-100.4 14.3 0.6 -9.1 -31.1 71 73 A Y T 3 S- 0 0 75 1,-0.3 -2,-0.1 -14,-0.1 -13,-0.0 0.732 71.9 -54.1 50.3 25.2 -0.1 -8.5 -27.4 72 74 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.3 -14,-0.0 -3,-0.0 0.407 101.6 136.8 96.0 -1.1 -3.7 -7.9 -28.3 73 75 A Y < - 0 0 33 -3,-2.4 -1,-0.3 1,-0.1 -3,-0.1 -0.518 59.9-105.9 -79.5 146.0 -3.2 -5.1 -30.8 74 76 A P - 0 0 84 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.384 35.1-112.4 -63.0 145.7 -5.1 -5.1 -34.1 75 77 A S - 0 0 89 -2,-0.0 -16,-0.1 -13,-0.0 3,-0.1 -0.588 40.1-148.6 -74.9 146.8 -3.1 -6.1 -37.1 76 78 A L - 0 0 20 -2,-0.2 4,-0.1 1,-0.1 -1,-0.0 -0.787 23.6-127.8-118.5 161.4 -2.7 -3.1 -39.4 77 79 A P S S+ 0 0 71 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.914 111.0 25.6 -66.7 -43.3 -2.4 -2.5 -43.2 78 80 A F >> + 0 0 73 -46,-0.2 4,-1.8 1,-0.1 3,-0.6 -0.582 64.4 157.0-125.1 70.0 0.8 -0.5 -42.7 79 81 A P H 3> S+ 0 0 14 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.812 77.9 62.2 -62.9 -27.8 2.5 -1.6 -39.4 80 82 A N H 3> S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.893 104.0 46.1 -65.0 -40.2 5.7 -0.2 -40.9 81 83 A Y H <> S+ 0 0 55 -3,-0.6 4,-2.6 2,-0.2 5,-0.2 0.884 112.2 49.1 -70.6 -41.1 4.3 3.4 -41.1 82 84 A E H X S+ 0 0 18 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.892 112.3 50.0 -67.1 -36.3 2.8 3.3 -37.6 83 85 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.969 112.1 47.6 -61.9 -52.9 6.1 2.0 -36.2 84 86 A I H X S+ 0 0 26 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.902 113.2 46.5 -56.5 -47.2 8.0 4.7 -38.0 85 87 A W H X S+ 0 0 12 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.832 110.4 53.5 -68.4 -33.5 5.8 7.6 -36.9 86 88 A D H X S+ 0 0 1 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.934 106.3 52.4 -64.3 -45.9 5.8 6.3 -33.3 87 89 A I H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.822 114.9 45.4 -57.0 -29.3 9.6 6.4 -33.4 88 90 A F H X S+ 0 0 31 -4,-1.2 4,-0.7 -5,-0.2 -2,-0.2 0.920 116.9 40.6 -78.4 -46.9 9.1 9.9 -34.6 89 91 A D H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.825 101.9 68.5 -73.9 -36.7 6.5 11.1 -32.1 90 92 A L H X S+ 0 0 1 -4,-2.9 4,-2.1 1,-0.2 54,-0.2 0.856 99.8 47.2 -59.7 -42.2 7.8 9.4 -28.9 91 93 A P H > S+ 0 0 11 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.864 111.6 52.1 -65.6 -36.3 10.9 11.6 -28.5 92 94 A Q H X S+ 0 0 54 -4,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.886 109.1 51.0 -64.9 -38.7 8.9 14.7 -29.1 93 95 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.925 110.4 47.5 -65.3 -45.1 6.5 13.6 -26.4 94 96 A D H X S+ 0 0 2 -4,-2.1 4,-1.9 1,-0.2 3,-0.5 0.942 113.0 49.4 -59.4 -46.1 9.3 13.0 -23.9 95 97 A Y H X S+ 0 0 41 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.798 104.3 59.4 -65.8 -29.7 10.8 16.4 -24.8 96 98 A N H X S+ 0 0 7 -4,-1.7 6,-1.6 2,-0.2 4,-1.6 0.846 105.7 49.0 -67.7 -33.8 7.4 18.0 -24.4 97 99 A Q H X S+ 0 0 5 -4,-1.5 4,-1.0 -3,-0.5 -2,-0.2 0.936 119.0 38.0 -67.7 -45.8 7.3 16.8 -20.7 98 100 A F H < S+ 0 0 57 -4,-1.9 -2,-0.2 36,-0.2 -3,-0.2 0.875 122.3 41.6 -72.9 -39.8 10.8 18.1 -20.0 99 101 A S H < S+ 0 0 58 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.899 132.4 16.8 -79.1 -43.2 10.6 21.3 -22.0 100 102 A L H < S- 0 0 96 -4,-1.6 -3,-0.2 -5,-0.3 -2,-0.2 0.472 96.9-115.8-111.7 -7.7 7.1 22.6 -21.2 101 103 A G < + 0 0 60 -4,-1.0 -4,-0.2 -5,-0.4 -3,-0.1 0.686 53.1 177.8 73.9 17.3 6.2 20.6 -18.1 102 104 A D - 0 0 17 -6,-1.6 -1,-0.2 1,-0.1 -100,-0.2 -0.178 29.9-119.4 -49.6 140.9 3.4 19.0 -20.2 103 105 A D > - 0 0 91 -3,-0.1 4,-3.2 1,-0.1 5,-0.2 -0.396 38.1 -96.5 -73.6 165.3 1.3 16.4 -18.5 104 106 A R H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.912 121.4 40.3 -55.1 -56.4 1.5 12.9 -20.2 105 107 A I H > S+ 0 0 34 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.929 117.1 50.2 -60.1 -46.0 -1.6 13.1 -22.3 106 108 A T H > S+ 0 0 49 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.926 108.7 53.4 -57.5 -45.7 -1.0 16.7 -23.3 107 109 A A H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.894 111.3 45.2 -57.2 -43.3 2.6 15.8 -24.2 108 110 A X H X S+ 0 0 1 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.933 113.6 48.4 -69.8 -44.2 1.4 13.0 -26.5 109 111 A N H < S+ 0 0 29 -4,-2.8 4,-0.3 2,-0.2 -2,-0.2 0.902 112.6 48.4 -63.7 -38.9 -1.3 15.1 -28.2 110 112 A R H >< S+ 0 0 125 -4,-3.0 3,-1.4 -5,-0.2 -1,-0.2 0.949 111.8 51.0 -63.4 -44.8 1.1 18.0 -28.7 111 113 A A H 3< S+ 0 0 4 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.832 113.6 44.8 -58.8 -34.5 3.6 15.5 -30.2 112 114 A Q T 3< S+ 0 0 10 -4,-2.1 2,-2.1 1,-0.1 -1,-0.3 0.313 78.7 111.2 -99.3 9.7 1.0 14.1 -32.5 113 115 A N < + 0 0 140 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.1 -0.449 63.8 81.9 -82.5 68.7 -0.5 17.4 -33.7 114 116 A H S S- 0 0 57 -2,-2.1 2,-0.1 2,-0.0 -3,-0.0 -0.958 85.1 -72.6-158.4 175.3 0.8 17.1 -37.2 115 117 A Q - 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