==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-AUG-04 1X92 . COMPND 2 MOLECULE: PHOSPHOHEPTOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.R.WALKER,E.EVDOKIMOVA,M.KUDRITSKA,A.JOACHIMIAK,A.EDWARDS, . 391 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 79.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 10.2 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 . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 49.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 0 0 2 2 0 0 2 0 2 0 2 0 2 0 0 0 0 0 1 0 3 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 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 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 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 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 2 A D > 0 0 134 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -43.7 11.9 -29.3 -11.5 2 3 A M H > + 0 0 31 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.883 360.0 53.8 -68.6 -36.4 15.0 -31.3 -12.4 3 4 A Q H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 110.0 48.2 -63.5 -37.1 15.6 -29.1 -15.3 4 5 A H H > S+ 0 0 112 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.893 109.8 51.5 -70.6 -38.6 15.5 -26.1 -13.0 5 6 A R H X S+ 0 0 51 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.919 110.9 48.7 -65.4 -39.1 17.8 -27.7 -10.6 6 7 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.946 111.8 48.6 -66.2 -46.2 20.3 -28.5 -13.3 7 8 A R H X S+ 0 0 110 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.909 109.2 53.6 -60.0 -41.6 20.1 -24.9 -14.6 8 9 A Q H X S+ 0 0 95 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.885 110.0 47.6 -60.2 -40.1 20.6 -23.6 -11.1 9 10 A L H X S+ 0 0 12 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.952 113.0 47.7 -67.9 -46.8 23.8 -25.8 -10.8 10 11 A F H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.921 114.0 48.3 -58.3 -43.0 25.1 -24.6 -14.2 11 12 A Q H X S+ 0 0 73 -4,-3.1 4,-3.0 -5,-0.2 -1,-0.2 0.918 110.7 49.1 -64.6 -43.9 24.4 -21.0 -13.2 12 13 A A H X S+ 0 0 29 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.868 112.7 49.5 -65.0 -34.1 26.1 -21.4 -9.8 13 14 A S H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.951 111.9 47.8 -70.5 -43.5 29.0 -22.9 -11.5 14 15 A I H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.922 113.1 48.6 -60.8 -44.2 29.1 -20.0 -14.1 15 16 A E H X S+ 0 0 84 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.874 108.2 53.3 -63.9 -39.9 28.8 -17.4 -11.3 16 17 A T H X S+ 0 0 14 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.896 109.6 49.6 -64.5 -36.4 31.6 -19.0 -9.3 17 18 A K H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.888 109.3 50.8 -67.2 -38.3 33.8 -18.8 -12.3 18 19 A Q H X S+ 0 0 82 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.885 111.7 48.1 -67.1 -38.2 33.0 -15.2 -12.9 19 20 A Q H >X S+ 0 0 99 -4,-2.4 4,-0.7 1,-0.2 3,-0.5 0.902 111.7 49.8 -69.3 -36.4 33.8 -14.5 -9.3 20 21 A A H >X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 3,-0.8 0.842 101.9 62.2 -69.7 -32.1 37.0 -16.4 -9.5 21 22 A L H 3< S+ 0 0 24 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.825 99.6 57.8 -65.1 -21.7 38.0 -14.5 -12.7 22 23 A E H << S+ 0 0 153 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.810 124.5 13.8 -78.7 -24.8 37.9 -11.3 -10.5 23 24 A V H << S+ 0 0 73 -3,-0.8 4,-0.4 -4,-0.7 -2,-0.2 0.681 114.1 63.6-124.1 -20.0 40.5 -12.5 -8.1 24 25 A L S >X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 3,-1.6 0.913 75.8 82.6 -78.7 -39.8 42.4 -15.6 -9.3 25 26 A P H 3> S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.742 92.2 49.9 -34.4 -47.7 44.3 -14.5 -12.4 26 27 A P H 3> S+ 0 0 78 0, 0.0 4,-2.3 0, 0.0 -2,-0.1 0.893 115.9 42.9 -65.9 -34.9 47.3 -12.9 -10.6 27 28 A Y H <> S+ 0 0 123 -3,-1.6 4,-2.9 -4,-0.4 5,-0.2 0.914 112.3 53.2 -77.5 -36.5 47.8 -16.0 -8.4 28 29 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.931 112.6 45.3 -63.1 -41.8 47.3 -18.3 -11.4 29 30 A E H X S+ 0 0 10 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.921 112.4 49.8 -67.2 -45.2 50.0 -16.4 -13.3 30 31 A Q H X S+ 0 0 93 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.917 111.1 50.5 -60.0 -42.6 52.4 -16.4 -10.3 31 32 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.909 108.5 51.7 -63.4 -40.8 51.8 -20.1 -9.9 32 33 A S H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 -1,-0.2 0.914 109.9 49.5 -64.7 -36.3 52.6 -20.8 -13.6 33 34 A L H X S+ 0 0 60 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.899 109.6 52.0 -65.7 -40.8 55.9 -18.8 -13.3 34 35 A V H X S+ 0 0 14 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.920 114.2 43.4 -62.3 -42.7 56.8 -20.7 -10.2 35 36 A M H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.897 113.3 50.0 -69.7 -40.9 56.2 -24.0 -12.1 36 37 A V H X S+ 0 0 8 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.940 109.2 52.1 -64.3 -44.9 57.9 -22.9 -15.3 37 38 A N H X S+ 0 0 98 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.874 110.8 48.5 -59.5 -35.8 61.0 -21.7 -13.4 38 39 A A H ><>S+ 0 0 4 -4,-1.6 5,-2.6 -5,-0.2 3,-1.0 0.933 111.1 49.2 -70.6 -41.4 61.2 -25.1 -11.7 39 40 A L H ><5S+ 0 0 21 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.895 107.3 56.2 -66.4 -31.5 60.9 -27.0 -14.9 40 41 A L H 3<5S+ 0 0 116 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.683 106.0 52.7 -73.2 -15.2 63.6 -24.8 -16.5 41 42 A N T <<5S- 0 0 111 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.1 -0.129 125.2 -93.8-112.8 38.5 65.9 -25.8 -13.8 42 43 A E T < 5S+ 0 0 191 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.622 84.1 138.5 63.6 15.8 65.6 -29.7 -14.0 43 44 A G < - 0 0 8 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.361 40.1-147.2 -87.6 169.4 63.0 -29.6 -11.3 44 45 A K - 0 0 48 65,-0.1 69,-2.3 -3,-0.1 2,-0.5 -0.832 10.6-122.6-131.7 169.2 59.7 -31.6 -11.2 45 46 A I E -ab 77 113A 0 31,-1.8 33,-3.0 -2,-0.3 2,-0.4 -0.950 16.7-161.6-120.0 131.5 56.2 -31.0 -9.8 46 47 A L E -ab 78 114A 0 67,-3.4 69,-4.0 -2,-0.5 2,-0.4 -0.911 9.2-167.6-109.3 139.4 54.5 -33.1 -7.3 47 48 A S E +ab 79 115A 0 31,-2.2 33,-3.2 -2,-0.4 34,-0.3 -0.946 10.7 166.5-125.9 146.3 50.7 -33.0 -6.9 48 49 A C E + b 0 116A 0 67,-1.9 69,-2.1 -2,-0.4 2,-0.3 -0.970 8.4 137.0-148.8 164.2 48.4 -34.4 -4.1 49 50 A G - 0 0 1 -2,-0.3 2,-0.3 67,-0.2 69,-0.2 -0.911 42.1-100.2 171.6 172.4 44.9 -34.1 -3.0 50 51 A N S > S- 0 0 41 67,-0.4 3,-2.5 -2,-0.3 6,-0.1 -0.903 73.1 -25.4-117.5 152.2 41.9 -36.1 -1.9 51 52 A G T >> S+ 0 0 45 -2,-0.3 4,-1.9 1,-0.3 3,-1.8 -0.333 138.4 5.0 54.8-128.1 38.8 -37.3 -3.7 52 53 A G H 3> S+ 0 0 5 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.819 135.5 58.3 -55.6 -26.9 38.0 -35.1 -6.6 53 54 A S H <> S+ 0 0 4 -3,-2.5 4,-1.8 2,-0.2 -1,-0.3 0.732 99.8 53.5 -78.1 -19.8 41.2 -33.4 -5.7 54 55 A A H <> S+ 0 0 15 -3,-1.8 4,-2.3 2,-0.2 5,-0.3 0.875 107.8 52.9 -76.3 -36.4 43.2 -36.6 -6.2 55 56 A G H X S+ 0 0 6 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.880 109.4 48.2 -62.2 -35.5 41.6 -36.7 -9.6 56 57 A D H X S+ 0 0 9 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.897 106.7 57.5 -72.0 -36.2 42.8 -33.2 -10.2 57 58 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.933 113.6 37.5 -58.6 -47.2 46.3 -34.2 -9.0 58 59 A Q H X S+ 0 0 42 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.759 110.4 61.3 -79.6 -20.3 46.6 -36.9 -11.6 59 60 A H H X S+ 0 0 7 -4,-1.5 4,-2.1 -5,-0.3 -2,-0.2 0.955 109.6 43.7 -65.4 -44.2 44.8 -34.8 -14.2 60 61 A F H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.909 111.7 51.5 -66.5 -45.1 47.6 -32.3 -13.9 61 62 A S H X S+ 0 0 9 -4,-1.9 4,-2.9 -5,-0.2 5,-0.3 0.918 110.8 49.3 -64.7 -37.5 50.4 -34.8 -13.9 62 63 A S H X>S+ 0 0 38 -4,-2.2 4,-2.5 1,-0.2 5,-0.7 0.899 105.8 56.2 -68.9 -35.1 49.0 -36.5 -17.1 63 64 A E H <5S+ 0 0 15 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.905 116.8 37.2 -63.5 -36.7 48.8 -33.1 -18.9 64 65 A L H <5S+ 0 0 0 -4,-1.7 11,-3.2 3,-0.2 -2,-0.2 0.920 118.5 45.8 -79.8 -44.8 52.4 -32.6 -18.3 65 66 A L H <5S+ 0 0 86 -4,-2.9 -2,-0.2 9,-0.3 -3,-0.2 0.750 136.2 13.1 -69.1 -29.2 53.7 -36.2 -18.6 66 67 A N T <5S- 0 0 110 -4,-2.5 2,-0.3 -5,-0.3 6,-0.3 0.585 119.0 -72.9-108.8 -86.1 51.7 -36.7 -21.8 67 68 A R < - 0 0 105 -5,-0.7 -3,-0.2 1,-0.1 -2,-0.1 -0.979 18.0-149.9-175.1 156.5 50.4 -33.4 -23.1 68 69 A F S S- 0 0 16 2,-0.4 -1,-0.1 -2,-0.3 3,-0.1 0.845 80.5 -44.8 -96.9 -68.7 47.9 -30.6 -22.7 69 70 A E S S+ 0 0 76 1,-0.3 3,-0.1 115,-0.1 116,-0.0 0.533 115.9 53.0-130.5 -75.4 47.2 -29.3 -26.2 70 71 A R S S- 0 0 79 1,-0.1 2,-0.4 -3,-0.0 -2,-0.4 -0.269 90.4-101.2 -65.8 154.1 50.1 -28.8 -28.6 71 72 A E + 0 0 169 -4,-0.1 -1,-0.1 -3,-0.1 -4,-0.1 -0.624 64.9 135.3 -76.7 127.0 52.6 -31.6 -29.2 72 73 A R - 0 0 28 -2,-0.4 3,-0.1 -6,-0.3 116,-0.0 -0.958 57.5 -58.6-159.8 174.1 55.7 -31.0 -27.1 73 74 A P - 0 0 86 0, 0.0 -7,-0.1 0, 0.0 2,-0.1 -0.283 60.3 -97.5 -66.1 151.7 58.1 -32.9 -24.9 74 75 A S - 0 0 80 -9,-0.1 -9,-0.3 -7,-0.1 -10,-0.1 -0.423 40.1-143.8 -59.7 143.0 56.8 -34.6 -21.7 75 76 A L - 0 0 16 -11,-3.2 2,-0.7 -14,-0.2 -31,-0.1 -0.895 22.2 -99.2-115.2 147.1 57.3 -32.5 -18.7 76 77 A P + 0 0 59 0, 0.0 -31,-1.8 0, 0.0 2,-0.3 -0.452 59.4 139.0 -71.8 105.4 58.2 -33.9 -15.2 77 78 A A E -a 45 0A 2 -2,-0.7 2,-0.4 -33,-0.2 -31,-0.2 -0.990 28.2-164.8-141.6 144.9 55.2 -34.2 -12.9 78 79 A V E -a 46 0A 59 -33,-3.0 -31,-2.2 -2,-0.3 2,-0.4 -0.964 13.2-145.0-134.8 124.4 54.3 -36.9 -10.4 79 80 A A E > -a 47 0A 9 -2,-0.4 3,-0.6 -33,-0.2 4,-0.2 -0.725 6.4-158.9 -84.3 131.7 50.9 -37.4 -8.8 80 81 A L T 3 S+ 0 0 1 -33,-3.2 -32,-0.1 -2,-0.4 -1,-0.1 0.319 82.0 70.8 -91.9 8.4 51.4 -38.7 -5.2 81 82 A T T 3 S+ 0 0 21 -34,-0.3 -1,-0.2 -27,-0.2 -33,-0.1 0.486 83.5 65.9-101.3 -5.3 47.9 -40.0 -5.1 82 83 A T < + 0 0 84 -3,-0.6 2,-1.1 1,-0.1 -2,-0.1 0.701 67.7 86.6 -98.2 -22.8 48.1 -43.0 -7.5 83 84 A D > - 0 0 80 -4,-0.2 4,-2.4 1,-0.2 3,-0.2 -0.689 55.8-168.1 -81.0 99.1 50.4 -45.8 -6.1 84 85 A S H > S+ 0 0 80 -2,-1.1 4,-2.7 1,-0.2 5,-0.3 0.789 82.1 55.6 -61.6 -30.4 47.9 -47.8 -4.0 85 86 A S H > S+ 0 0 84 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.900 110.9 45.1 -68.8 -42.5 50.7 -49.9 -2.3 86 87 A T H > S+ 0 0 37 -3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.950 116.7 45.0 -65.8 -47.6 52.4 -46.8 -1.1 87 88 A I H X S+ 0 0 32 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.950 115.5 44.8 -63.3 -49.8 49.3 -45.1 0.0 88 89 A T H X S+ 0 0 86 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.923 113.7 50.1 -64.5 -39.5 47.8 -48.0 1.8 89 90 A S H X S+ 0 0 52 -4,-2.1 4,-3.3 -5,-0.3 5,-0.3 0.925 111.0 47.3 -68.7 -38.9 51.0 -49.0 3.5 90 91 A I H X>S+ 0 0 11 -4,-2.2 4,-2.3 -5,-0.2 5,-0.7 0.947 116.5 43.6 -65.4 -44.3 51.7 -45.6 4.9 91 92 A A H <5S+ 0 0 29 -4,-2.3 5,-0.3 -5,-0.2 -1,-0.2 0.867 117.2 47.5 -67.4 -36.1 48.2 -45.1 6.1 92 93 A N H <5S+ 0 0 136 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.935 116.9 40.9 -70.3 -47.0 48.1 -48.6 7.5 93 94 A D H <5S- 0 0 101 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.804 139.4 -5.7 -71.0 -37.5 51.5 -48.5 9.2 94 95 A Y T <5S- 0 0 134 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.530 111.5 -53.6-123.1 -84.9 51.3 -45.0 10.7 95 96 A S > < - 0 0 42 -5,-0.7 3,-1.8 1,-0.1 4,-0.3 -0.986 37.0-109.1-162.7 158.6 48.4 -42.8 9.7 96 97 A Y G > S+ 0 0 111 -2,-0.3 3,-1.4 1,-0.3 4,-0.3 0.795 110.9 73.5 -60.6 -24.8 46.5 -41.5 6.7 97 98 A N G 3 S+ 0 0 61 1,-0.2 4,-0.4 -6,-0.1 3,-0.3 0.712 95.4 50.6 -62.5 -20.8 48.0 -38.1 7.6 98 99 A E G <> S+ 0 0 68 -3,-1.8 4,-2.1 1,-0.2 5,-0.3 0.476 74.6 103.3 -99.3 1.2 51.4 -39.2 6.3 99 100 A V T <4 S+ 0 0 0 -3,-1.4 4,-0.3 -4,-0.3 -1,-0.2 0.798 96.3 24.1 -57.4 -33.0 50.5 -40.6 2.9 100 101 A F T > S+ 0 0 3 -3,-0.3 4,-2.4 -4,-0.3 3,-0.4 0.856 119.0 56.4 -97.2 -45.0 51.8 -37.5 0.9 101 102 A S H > S+ 0 0 12 -4,-0.4 4,-2.4 24,-0.3 5,-0.2 0.901 105.1 53.5 -57.0 -41.9 54.3 -36.0 3.3 102 103 A K H X S+ 0 0 85 -4,-2.1 4,-1.1 1,-0.2 -1,-0.3 0.902 110.8 46.2 -64.3 -34.5 56.2 -39.2 3.5 103 104 A Q H > S+ 0 0 25 -3,-0.4 4,-3.2 -5,-0.3 5,-0.3 0.899 110.9 53.3 -74.4 -32.7 56.5 -39.4 -0.3 104 105 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.906 102.8 57.0 -65.5 -42.9 57.5 -35.7 -0.5 105 106 A R H < S+ 0 0 133 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.865 116.6 36.7 -58.0 -33.6 60.3 -36.2 2.0 106 107 A A H < S+ 0 0 78 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.951 127.9 31.6 -84.2 -45.7 61.8 -38.9 -0.3 107 108 A L H < S+ 0 0 72 -4,-3.2 2,-0.2 -5,-0.1 -3,-0.2 0.718 92.4 102.6 -83.0 -28.4 61.0 -37.4 -3.7 108 109 A G < - 0 0 0 -4,-2.9 30,-0.0 -5,-0.3 -63,-0.0 -0.439 45.7-176.6 -67.8 129.5 61.3 -33.7 -3.1 109 110 A Q > - 0 0 102 -2,-0.2 3,-2.4 -65,-0.1 -65,-0.1 -0.871 42.0 -81.8-119.3 152.7 64.4 -31.9 -4.2 110 111 A P T 3 S+ 0 0 71 0, 0.0 28,-0.2 0, 0.0 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