==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-APR-11 3RF0 . COMPND 2 MOLECULE: EXOPOLYPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR Y.KIM,M.ZHOU,J.HASSEMAN,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR . 397 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21016.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.0 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 . 2 0.5 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 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 45.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 2 0 0 0 0 0 0 2 2 2 1 2 1 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A H > 0 0 137 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -33.1 24.3 20.9 9.9 2 5 A Q H > + 0 0 130 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.948 360.0 34.5 -58.7 -52.5 21.1 19.2 11.4 3 6 A D H > S+ 0 0 119 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.800 115.6 57.0 -78.4 -28.1 18.8 21.9 10.2 4 7 A I H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.953 109.6 45.9 -63.7 -49.0 20.8 22.5 7.0 5 8 A R H X S+ 0 0 6 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.887 108.7 55.6 -62.9 -37.1 20.4 18.9 6.0 6 9 A Q H X S+ 0 0 115 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.923 109.5 47.5 -62.3 -41.9 16.7 18.9 6.8 7 10 A R H X S+ 0 0 150 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.927 112.7 48.5 -61.4 -49.0 16.3 21.8 4.4 8 11 A T H X S+ 0 0 7 -4,-2.6 4,-2.2 77,-0.2 -2,-0.2 0.946 112.2 48.0 -56.5 -50.8 18.3 20.1 1.7 9 12 A A H X S+ 0 0 7 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.869 112.0 50.7 -58.5 -38.4 16.3 16.8 2.1 10 13 A K H X S+ 0 0 108 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.888 107.8 52.4 -69.3 -37.9 13.1 18.8 2.0 11 14 A S H X S+ 0 0 67 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.891 112.8 45.0 -63.6 -39.8 14.2 20.6 -1.2 12 15 A L H X S+ 0 0 9 -4,-2.2 4,-2.5 2,-0.2 6,-0.2 0.908 112.0 51.8 -68.5 -43.2 14.9 17.2 -2.8 13 16 A A H X>S+ 0 0 29 -4,-2.6 5,-1.8 -5,-0.2 4,-0.6 0.899 114.6 42.7 -59.8 -44.2 11.7 15.7 -1.6 14 17 A D H <5S+ 0 0 95 -4,-2.4 3,-0.2 3,-0.2 -1,-0.2 0.896 115.1 48.5 -69.2 -43.1 9.6 18.5 -3.0 15 18 A H H <5S+ 0 0 134 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.895 121.6 33.9 -65.9 -42.3 11.5 18.8 -6.3 16 19 A Y H <5S- 0 0 60 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.415 103.4-126.5 -94.2 -1.4 11.3 15.0 -7.0 17 20 A N T <5 - 0 0 140 -4,-0.6 -3,-0.2 -3,-0.2 -4,-0.1 0.929 35.6-165.9 56.1 50.3 7.9 14.5 -5.4 18 21 A I < - 0 0 26 -5,-1.8 2,-0.9 -6,-0.2 -1,-0.1 -0.385 28.6-108.3 -69.1 145.5 9.2 11.7 -3.2 19 22 A D > - 0 0 51 1,-0.2 4,-2.1 2,-0.1 5,-0.2 -0.627 33.9-168.3 -77.3 112.0 6.5 9.6 -1.6 20 23 A R H > S+ 0 0 174 -2,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.827 81.9 56.9 -76.6 -31.2 6.8 10.8 2.0 21 24 A E H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 110.5 45.7 -63.6 -36.9 4.6 8.0 3.5 22 25 A Q H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.901 111.1 51.1 -74.8 -42.0 6.9 5.5 2.0 23 26 A A H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.916 112.2 49.5 -57.5 -42.2 10.1 7.3 3.1 24 27 A R H X S+ 0 0 142 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.876 109.3 48.2 -72.0 -37.3 8.7 7.3 6.6 25 28 A R H X S+ 0 0 47 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.910 113.2 49.3 -68.4 -39.3 7.7 3.7 6.8 26 29 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.923 112.2 48.1 -60.6 -45.5 11.2 2.7 5.5 27 30 A L H X S+ 0 0 5 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 0.938 109.9 52.7 -61.5 -47.3 12.8 5.0 8.1 28 31 A E H X S+ 0 0 98 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.934 112.5 43.2 -55.8 -49.0 10.7 3.6 10.9 29 32 A T H X S+ 0 0 13 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.924 114.1 53.0 -59.2 -42.3 11.7 0.0 10.1 30 33 A T H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.928 109.5 47.6 -63.2 -43.9 15.3 1.1 9.7 31 34 A E H X S+ 0 0 84 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.872 109.8 52.7 -67.0 -34.6 15.3 2.8 13.1 32 35 A Q H X S+ 0 0 95 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.895 114.1 42.3 -68.6 -37.8 13.7 -0.3 14.8 33 36 A L H X S+ 0 0 2 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.880 109.7 58.4 -73.2 -38.5 16.4 -2.6 13.3 34 37 A Y H X S+ 0 0 10 -4,-2.6 4,-3.0 -5,-0.2 -2,-0.2 0.878 103.8 52.3 -59.6 -40.5 19.2 -0.1 14.0 35 38 A T H X S+ 0 0 99 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.925 112.7 44.0 -62.9 -42.7 18.4 -0.1 17.7 36 39 A Q H X S+ 0 0 35 -4,-1.2 4,-1.0 1,-0.2 -2,-0.2 0.921 115.4 49.4 -67.3 -42.1 18.5 -3.9 17.9 37 40 A W H >X S+ 0 0 2 -4,-3.0 4,-1.0 1,-0.2 3,-0.9 0.941 106.9 54.5 -61.6 -49.2 21.7 -3.9 15.8 38 41 A L H >< S+ 0 0 50 -4,-3.0 3,-1.0 1,-0.3 -1,-0.2 0.888 103.4 54.4 -56.7 -49.1 23.5 -1.3 17.9 39 42 A A H 3< S+ 0 0 78 -4,-1.6 3,-0.4 1,-0.3 -1,-0.3 0.802 112.4 45.4 -54.6 -34.3 23.1 -3.1 21.2 40 43 A Q H << S+ 0 0 65 -4,-1.0 -1,-0.3 -3,-0.9 114,-0.2 0.514 121.8 36.0 -89.3 -15.2 24.7 -6.2 19.6 41 44 A N X< + 0 0 18 -4,-1.0 3,-1.0 -3,-1.0 -1,-0.2 -0.452 63.8 153.3-132.8 89.1 27.5 -4.3 18.0 42 45 A T G > + 0 0 91 -3,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.807 69.2 66.0 -86.4 -22.7 28.6 -1.6 20.2 43 46 A K G 3 S+ 0 0 177 1,-0.3 -1,-0.3 -3,-0.1 -5,-0.0 0.730 99.9 54.8 -70.3 -17.1 32.1 -1.5 18.9 44 47 A L G < S+ 0 0 20 -3,-1.0 -1,-0.3 -6,-0.2 -2,-0.2 0.355 74.8 140.0 -94.5 3.9 30.7 -0.3 15.6 45 48 A V < + 0 0 75 -3,-1.6 -3,-0.0 -7,-0.1 76,-0.0 -0.222 17.1 163.2 -55.2 125.4 28.7 2.7 17.0 46 49 A Q > - 0 0 44 75,-0.1 4,-2.5 1,-0.1 3,-0.4 -0.699 20.3-170.8-148.1 87.6 29.0 5.7 14.6 47 50 A P H > S+ 0 0 89 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.815 87.9 55.6 -60.2 -29.0 26.5 8.5 15.1 48 51 A Q H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.910 110.8 45.4 -67.1 -37.7 27.5 10.3 11.9 49 52 A L H > S+ 0 0 2 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 0.887 108.2 57.1 -74.1 -35.5 26.8 7.2 9.9 50 53 A E H X S+ 0 0 88 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.913 107.5 49.0 -55.2 -44.7 23.6 6.6 11.7 51 54 A A H X S+ 0 0 28 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.930 110.5 49.5 -62.0 -45.5 22.5 10.1 10.5 52 55 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.879 107.3 54.9 -63.2 -35.4 23.5 9.3 6.9 53 56 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.916 106.0 53.6 -62.8 -39.5 21.6 6.1 7.1 54 57 A K H X S+ 0 0 59 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.923 110.1 45.5 -58.9 -44.7 18.5 8.1 8.1 55 58 A W H X S+ 0 0 17 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.849 109.5 55.9 -72.3 -30.9 18.9 10.4 5.1 56 59 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.930 108.0 49.1 -61.8 -44.8 19.4 7.3 2.9 57 60 A A H < S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.916 114.7 44.8 -60.3 -41.3 16.1 6.0 4.1 58 61 A X H < S+ 0 0 38 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.851 123.7 33.3 -68.4 -38.1 14.4 9.3 3.4 59 62 A L H >< S+ 0 0 3 -4,-2.3 3,-2.0 1,-0.1 4,-0.2 0.347 80.0 107.1-102.1 0.4 16.0 9.8 -0.0 60 63 A H T 3< S+ 0 0 5 -4,-1.4 3,-0.3 -3,-0.3 15,-0.2 0.686 82.1 51.2 -62.9 -20.2 16.4 6.3 -1.6 61 64 A E T > S+ 0 0 15 -3,-0.2 3,-2.5 -4,-0.2 4,-0.3 0.335 72.8 107.2 -94.1 6.1 13.5 6.9 -4.0 62 65 A V G X S+ 0 0 2 -3,-2.0 3,-0.5 1,-0.3 -1,-0.2 0.796 79.4 54.9 -56.1 -25.0 14.7 10.2 -5.5 63 66 A G G >> S+ 0 0 0 -3,-0.3 4,-1.9 8,-0.2 3,-1.2 0.375 75.6 101.5 -89.8 3.4 15.7 8.4 -8.7 64 67 A L G <4 S+ 0 0 69 -3,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.838 74.6 58.7 -62.4 -35.0 12.3 6.9 -9.3 65 68 A S G <4 S+ 0 0 101 -3,-0.5 -1,-0.3 -4,-0.3 3,-0.1 0.735 104.4 52.3 -70.5 -20.5 11.3 9.4 -12.0 66 69 A I T <4 S- 0 0 100 -3,-1.2 2,-0.3 1,-0.3 -2,-0.2 0.956 133.8 -41.0 -73.2 -64.0 14.3 8.3 -14.0 67 70 A N < - 0 0 69 -4,-1.9 -1,-0.3 1,-0.1 7,-0.2 -0.942 29.6-142.8-159.1 150.7 13.2 4.7 -13.7 68 71 A H S > S+ 0 0 71 -2,-0.3 3,-1.4 -3,-0.1 2,-0.7 0.806 95.7 77.3 -74.3 -29.9 11.8 2.1 -11.4 69 72 A S T 3 S+ 0 0 63 1,-0.3 -1,-0.0 2,-0.1 278,-0.0 -0.712 115.8 4.2 -81.3 117.4 14.1 -0.3 -13.1 70 73 A G T >> S+ 0 0 8 -2,-0.7 4,-1.9 3,-0.1 3,-1.0 0.625 85.5 151.7 80.9 16.5 17.5 0.4 -11.6 71 74 A X H <> + 0 0 3 -3,-1.4 4,-3.0 1,-0.3 5,-0.3 0.827 65.4 59.0 -50.3 -41.1 16.1 2.9 -9.2 72 75 A H H 3> S+ 0 0 13 -4,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.892 109.0 44.7 -54.4 -44.5 18.8 2.3 -6.6 73 76 A R H <> S+ 0 0 139 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.870 114.5 48.6 -66.7 -39.4 21.5 3.3 -9.2 74 77 A H H X S+ 0 0 37 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.890 111.6 48.3 -70.7 -38.7 19.5 6.4 -10.4 75 78 A S H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.2 5,-0.2 0.944 112.4 50.2 -65.7 -43.3 18.8 7.7 -6.9 76 79 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.908 108.0 53.8 -62.0 -38.9 22.5 7.2 -6.1 77 80 A Y H X S+ 0 0 154 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.923 111.6 44.2 -59.1 -48.6 23.4 9.1 -9.3 78 81 A I H X S+ 0 0 10 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.939 114.6 49.0 -62.4 -45.5 21.3 12.1 -8.3 79 82 A L H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.876 113.1 47.3 -67.3 -34.3 22.5 12.0 -4.7 80 83 A Q H < S+ 0 0 47 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.835 121.0 35.8 -71.9 -37.2 26.2 11.8 -5.8 81 84 A N H < S+ 0 0 95 -4,-1.9 2,-0.2 -5,-0.2 -2,-0.2 0.597 95.2 87.7 -98.1 -13.0 26.0 14.6 -8.3 82 85 A T S < S- 0 0 49 -4,-2.1 2,-0.4 -5,-0.1 -4,-0.0 -0.582 87.4-100.6 -83.4 151.2 23.5 17.2 -6.9 83 86 A N - 0 0 149 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.592 41.6-170.6 -68.8 122.5 24.7 20.1 -4.7 84 87 A L > - 0 0 10 -2,-0.4 3,-2.3 3,-0.2 -1,-0.1 -0.754 12.0-148.3-121.2 85.7 23.7 18.9 -1.2 85 88 A P T 3 S+ 0 0 78 0, 0.0 -77,-0.2 0, 0.0 3,-0.1 -0.275 85.7 28.5 -53.1 133.6 24.2 21.7 1.4 86 89 A G T 3 S+ 0 0 29 1,-0.2 2,-0.5 -78,-0.1 -81,-0.2 0.338 100.4 94.4 94.8 -5.8 25.2 20.1 4.8 87 90 A F < - 0 0 17 -3,-2.3 -3,-0.2 -83,-0.1 -1,-0.2 -0.970 63.9-150.9-114.9 116.5 26.9 17.1 3.3 88 91 A N > - 0 0 76 -2,-0.5 4,-2.7 -3,-0.1 5,-0.2 -0.194 40.5 -87.6 -74.4-179.1 30.6 17.3 2.8 89 92 A Q H > S+ 0 0 119 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.909 126.0 42.4 -64.4 -43.6 32.2 15.3 -0.0 90 93 A E H > S+ 0 0 33 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.888 115.6 49.3 -72.1 -35.6 32.8 12.1 1.8 91 94 A Q H > S+ 0 0 23 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.905 112.1 49.8 -64.0 -41.8 29.4 12.2 3.6 92 95 A Q H X S+ 0 0 20 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.924 112.3 47.7 -60.4 -46.3 27.8 12.9 0.2 93 96 A T H X S+ 0 0 21 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.907 112.7 47.6 -62.1 -42.3 29.6 10.0 -1.3 94 97 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.931 109.4 54.0 -68.5 -41.3 28.7 7.6 1.5 95 98 A L H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.954 111.0 46.0 -53.4 -51.2 25.0 8.7 1.4 96 99 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.859 110.7 54.5 -61.6 -36.8 25.0 7.8 -2.3 97 100 A T H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.923 103.5 53.7 -65.0 -44.8 26.7 4.5 -1.7 98 101 A L H < S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.929 115.1 41.9 -52.5 -46.2 24.2 3.4 0.9 99 102 A V H >< S+ 0 0 0 -4,-1.7 3,-1.7 -5,-0.2 -2,-0.2 0.909 109.5 56.6 -71.2 -43.4 21.4 4.0 -1.6 100 103 A R H 3< S+ 0 0 64 -4,-2.8 3,-0.4 1,-0.3 -1,-0.2 0.846 113.1 42.1 -55.5 -35.1 23.2 2.5 -4.6 101 104 A X T 3< S+ 0 0 12 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.232 82.7 102.8 -97.5 9.0 23.7 -0.7 -2.7 102 105 A H S < S+ 0 0 4 -3,-1.7 2,-0.3 -5,-0.1 -1,-0.2 0.537 86.2 18.1 -78.4 -5.4 20.2 -1.0 -1.2 103 106 A R S S+ 0 0 79 -3,-0.4 27,-0.0 -4,-0.2 -1,-0.0 -0.981 99.5 15.8-158.5 168.2 18.8 -3.7 -3.6 104 107 A K S S- 0 0 114 -2,-0.3 2,-0.2 2,-0.1 0, 0.0 -0.040 104.2 -4.3 58.0-149.0 19.7 -6.3 -6.3 105 108 A A - 0 0 64 1,-0.1 2,-0.4 2,-0.0 -2,-0.1 -0.382 68.0-143.0 -86.7 134.1 23.2 -7.7 -6.7 106 109 A I - 0 0 25 76,-0.2 2,-0.5 -2,-0.2 -1,-0.1 -0.747 12.4-169.3 -93.9 132.4 26.0 -6.3 -4.5 107 110 A K > - 0 0 118 -2,-0.4 3,-1.9 1,-0.1 4,-0.1 -0.920 6.9-168.3-119.4 110.2 29.5 -5.8 -5.7 108 111 A L G > S+ 0 0 44 -2,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.736 85.1 71.1 -67.1 -18.5 31.9 -4.9 -2.8 109 112 A D G 3 S+ 0 0 141 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.554 87.9 62.9 -75.2 -8.7 34.5 -4.0 -5.5 110 113 A E G < S+ 0 0 131 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.324 75.4 130.2 -93.1 5.2 32.5 -0.9 -6.4 111 114 A L < - 0 0 35 -3,-1.5 -3,-0.0 1,-0.1 2,-0.0 -0.413 58.6-122.0 -63.7 132.7 33.1 0.4 -2.9 112 115 A P - 0 0 34 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.317 21.4-106.5 -74.6 153.1 34.4 4.1 -2.9 113 116 A R + 0 0 250 -2,-0.0 2,-0.4 2,-0.0 0, 0.0 -0.756 46.6 172.3 -80.1 121.7 37.6 5.3 -1.3 114 117 A L - 0 0 17 -2,-0.6 5,-0.1 3,-0.2 -3,-0.0 -0.973 27.1-167.7-135.9 118.5 36.7 7.2 1.9 115 118 A N S S+ 0 0 145 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.840 91.4 47.4 -70.8 -32.3 39.2 8.4 4.4 116 119 A L S S+ 0 0 104 1,-0.2 2,-0.5 2,-0.0 -1,-0.2 0.756 110.1 48.7 -81.5 -29.2 36.5 9.2 7.0 117 120 A F - 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