==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 02-JAN-08 3BUJ . COMPND 2 MOLECULE: CALO2; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROMONOSPORA ECHINOSPORA; . AUTHOR J.G.MCCOY,H.D.JOHNSON,S.SINGH,C.A.BINGMAN,J.S.THORSON,G.N.PH . 397 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17284.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 6.5 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 16 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 43.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 1 1 0 1 2 2 2 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 1 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 1 A V 0 0 62 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 93.0 11.1 48.4 -14.2 2 2 A T + 0 0 149 1,-0.3 2,-0.2 29,-0.0 28,-0.1 0.842 360.0 1.7 -73.6 -37.8 14.1 46.9 -16.1 3 3 A A S S- 0 0 49 28,-0.1 -1,-0.3 26,-0.0 28,-0.2 -0.702 83.7-130.8-155.1 95.0 15.8 45.3 -13.1 4 4 A F - 0 0 2 -3,-0.3 28,-1.7 -2,-0.2 31,-0.2 -0.179 24.8-176.5 -57.0 133.2 14.1 45.6 -9.7 5 5 A D > - 0 0 43 26,-0.2 3,-1.6 1,-0.1 6,-0.3 -0.892 18.7-170.9-136.0 104.3 16.2 46.8 -6.8 6 6 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.699 89.3 65.4 -64.4 -19.6 14.8 47.0 -3.2 7 7 A T T 3 S+ 0 0 72 4,-0.1 2,-0.1 5,-0.0 5,-0.0 0.599 77.6 109.8 -77.6 -13.2 18.0 48.8 -2.2 8 8 A D S <> S- 0 0 72 -3,-1.6 4,-2.3 1,-0.1 3,-0.1 -0.446 75.9-128.9 -66.4 136.9 17.1 51.7 -4.5 9 9 A A H > S+ 0 0 70 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.812 107.1 51.5 -59.2 -39.9 16.1 54.9 -2.5 10 10 A D H > S+ 0 0 98 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.919 113.5 45.2 -59.2 -47.1 12.8 55.4 -4.4 11 11 A V H 4 S+ 0 0 12 -6,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.809 105.4 62.1 -71.1 -32.2 11.8 51.8 -3.7 12 12 A R H < S+ 0 0 63 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.907 112.3 35.5 -60.6 -41.1 12.9 52.0 -0.1 13 13 A R H < S+ 0 0 124 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.708 139.8 6.1 -93.3 -19.5 10.3 54.7 0.7 14 14 A D < + 0 0 61 -4,-1.6 4,-0.3 -5,-0.1 -1,-0.2 -0.479 60.4 165.4-158.5 87.2 7.4 53.6 -1.6 15 15 A P > + 0 0 4 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.537 57.9 93.1 -77.4 -4.7 7.9 50.2 -3.4 16 16 A Y H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.807 80.2 50.1 -68.5 -36.7 4.2 50.0 -4.3 17 17 A P H > S+ 0 0 81 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.869 112.4 50.7 -64.1 -35.7 4.3 51.6 -7.8 18 18 A S H > S+ 0 0 24 -4,-0.3 4,-2.3 -3,-0.2 -2,-0.2 0.911 111.1 48.7 -63.0 -43.7 7.1 49.2 -8.6 19 19 A Y H X S+ 0 0 9 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.953 106.2 55.4 -60.6 -52.9 5.0 46.4 -7.4 20 20 A H H X S+ 0 0 89 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.890 112.0 44.3 -46.0 -48.8 1.9 47.4 -9.4 21 21 A W H >X>S+ 0 0 95 -4,-1.7 4,-2.5 1,-0.2 3,-0.6 0.929 112.1 54.3 -61.2 -48.5 4.0 47.3 -12.6 22 22 A L H 3X5S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.899 109.5 43.0 -56.8 -50.3 5.6 44.0 -11.6 23 23 A L H 3<5S+ 0 0 4 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.659 119.9 45.1 -76.6 -11.3 2.5 42.0 -11.0 24 24 A R H <<5S+ 0 0 168 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.774 131.8 14.0 -95.8 -32.8 0.9 43.4 -14.1 25 25 A H H <5S+ 0 0 99 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.667 137.4 19.7-120.1 -28.3 3.8 43.1 -16.6 26 26 A D << + 0 0 42 -4,-1.9 3,-0.2 -5,-0.6 -2,-0.1 -0.462 57.4 168.0-148.7 71.1 6.5 40.8 -15.1 27 27 A P S S+ 0 0 20 0, 0.0 12,-2.3 0, 0.0 2,-0.5 0.745 84.6 37.9 -62.4 -28.9 5.1 38.6 -12.3 28 28 A V E S-A 38 0A 2 10,-0.2 2,-0.4 266,-0.2 10,-0.2 -0.880 92.4-178.1-123.0 96.7 8.3 36.4 -12.3 29 29 A H E -A 37 0A 2 8,-2.5 8,-2.5 -2,-0.5 2,-1.0 -0.777 33.6-139.5-114.6 132.6 11.0 39.0 -12.8 30 30 A R E +A 36 0A 126 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.790 40.8 175.6 -88.4 104.2 14.8 38.8 -13.2 31 31 A G > - 0 0 6 4,-2.9 3,-1.7 -2,-1.0 4,-0.4 -0.062 38.3 -28.2 -94.4-164.8 15.9 41.9 -11.2 32 32 A A G > S+ 0 0 20 -28,-1.7 3,-0.9 1,-0.3 -1,-0.2 -0.163 128.6 9.1 -51.1 133.9 19.3 43.4 -10.2 33 33 A H G 3 S- 0 0 168 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.625 128.6 -70.6 68.5 18.1 22.2 40.9 -9.9 34 34 A R G < S+ 0 0 178 -3,-1.7 2,-0.5 1,-0.3 269,-0.5 0.856 89.1 151.4 64.8 37.8 20.0 38.1 -11.4 35 35 A V < - 0 0 25 -3,-0.9 -4,-2.9 -4,-0.4 -1,-0.3 -0.876 41.6-133.1 -93.6 127.5 17.8 37.9 -8.4 36 36 A W E -Ab 30 304A 1 267,-2.3 269,-2.9 -2,-0.5 2,-0.5 -0.596 15.3-156.5 -79.5 144.9 14.3 36.7 -9.2 37 37 A Y E -Ab 29 305A 14 -8,-2.5 -8,-2.5 -2,-0.2 2,-0.5 -0.990 0.8-159.2-126.6 123.8 11.3 38.6 -7.8 38 38 A V E +Ab 28 306A 0 267,-2.4 269,-3.0 -2,-0.5 273,-0.2 -0.915 16.9 168.4-108.7 123.3 8.0 36.9 -7.4 39 39 A S + 0 0 0 -12,-2.3 -1,-0.1 -2,-0.5 -16,-0.1 0.851 40.2 86.3-104.7 -47.2 5.0 39.2 -7.2 40 40 A R S > S- 0 0 41 -13,-0.4 4,-3.1 -18,-0.1 5,-0.2 -0.333 71.5-126.9 -73.4 145.8 1.6 37.5 -7.5 41 41 A F H > S+ 0 0 9 270,-0.3 4,-2.7 1,-0.2 5,-0.3 0.937 110.0 52.0 -51.8 -55.6 -0.3 35.9 -4.6 42 42 A A H > S+ 0 0 44 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.878 116.1 40.8 -48.9 -45.7 -0.7 32.6 -6.4 43 43 A D H > S+ 0 0 6 2,-0.2 4,-3.2 3,-0.2 -1,-0.2 0.882 112.2 52.7 -75.9 -43.5 3.0 32.4 -7.2 44 44 A V H X S+ 0 0 1 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.977 113.2 45.6 -54.2 -54.4 4.3 33.7 -3.8 45 45 A R H X S+ 0 0 124 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.837 111.9 53.9 -55.7 -37.2 2.2 31.0 -2.1 46 46 A A H < S+ 0 0 51 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.956 110.9 44.1 -62.7 -51.9 3.5 28.5 -4.7 47 47 A V H >< S+ 0 0 1 -4,-3.2 3,-2.0 1,-0.2 6,-0.3 0.933 111.0 53.5 -59.1 -48.4 7.2 29.3 -3.9 48 48 A L H 3< S+ 0 0 8 -4,-2.8 292,-0.4 1,-0.3 293,-0.3 0.828 107.9 50.7 -62.1 -31.5 6.7 29.3 -0.1 49 49 A G T 3< S+ 0 0 55 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.3 0.328 93.9 90.2 -86.3 8.8 5.1 25.8 -0.1 50 50 A D X - 0 0 33 -3,-2.0 3,-1.8 1,-0.1 -1,-0.1 -0.904 60.1-161.4-114.2 107.0 8.0 24.4 -2.2 51 51 A E T 3 S+ 0 0 96 -2,-0.6 4,-0.1 1,-0.3 -1,-0.1 0.647 86.3 75.6 -56.7 -21.3 11.0 23.0 -0.3 52 52 A R T 3 S+ 0 0 114 1,-0.2 236,-2.1 2,-0.1 2,-1.1 0.823 81.9 70.0 -63.0 -33.1 13.1 23.2 -3.5 53 53 A F E < S+C 287 0A 6 -3,-1.8 234,-0.2 -6,-0.3 -1,-0.2 -0.779 89.6 175.2 -82.4 97.9 13.3 27.0 -2.8 54 54 A A E -C 286 0A 0 232,-1.3 232,-2.3 -2,-1.1 4,-0.1 -0.418 47.5-139.1-116.5 174.4 15.5 26.4 0.2 55 55 A R S > S+ 0 0 40 230,-0.2 4,-2.1 -2,-0.1 3,-0.4 0.572 80.8 88.3-109.8 -11.1 17.5 28.1 2.9 56 56 A T H > S+ 0 0 25 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.874 86.4 53.0 -59.6 -43.5 20.7 26.0 3.1 57 57 A G H > S+ 0 0 22 229,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.853 110.2 50.1 -60.3 -35.8 22.6 27.9 0.3 58 58 A I H > S+ 0 0 35 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.899 110.3 49.6 -67.7 -42.0 21.9 31.1 2.2 59 59 A R H X S+ 0 0 42 -4,-2.1 4,-2.5 22,-0.2 5,-0.2 0.940 112.8 46.0 -61.6 -49.6 23.2 29.5 5.5 60 60 A R H X S+ 0 0 153 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.872 112.3 50.5 -66.4 -37.3 26.4 28.2 4.0 61 61 A F H X S+ 0 0 106 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.928 114.1 45.3 -61.7 -45.3 27.1 31.5 2.2 62 62 A W H X S+ 0 0 13 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.873 109.7 51.4 -72.4 -41.0 26.6 33.5 5.4 63 63 A T H X S+ 0 0 25 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.859 113.4 45.5 -65.2 -36.1 28.6 31.3 7.8 64 64 A D H < S+ 0 0 128 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.763 110.2 56.5 -79.3 -25.1 31.7 31.3 5.5 65 65 A L H < S+ 0 0 101 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.880 112.4 39.3 -68.1 -42.6 31.2 35.1 5.0 66 66 A V H < S- 0 0 16 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.741 110.0-141.0 -82.1 -20.3 31.4 35.8 8.7 67 67 A G < - 0 0 17 -4,-1.3 5,-0.5 -5,-0.2 -2,-0.1 0.048 35.6 -30.5 82.5 167.1 34.2 33.2 9.2 68 68 A P S S+ 0 0 131 0, 0.0 2,-0.2 0, 0.0 3,-0.2 -0.073 91.0 61.4 -54.3 149.9 34.9 30.6 12.0 69 69 A G S > S- 0 0 29 1,-0.1 4,-2.7 2,-0.1 5,-0.2 -0.743 95.6 -36.8 128.4-171.6 33.9 31.3 15.6 70 70 A L H > S+ 0 0 71 -2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.820 125.7 52.9 -58.3 -42.9 31.1 32.0 18.0 71 71 A L H >>S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.6 0.953 114.3 42.0 -60.4 -52.3 29.0 34.1 15.6 72 72 A A H >5S+ 0 0 13 -5,-0.5 4,-1.8 1,-0.2 -2,-0.2 0.927 114.6 51.7 -58.7 -48.7 29.0 31.5 12.9 73 73 A E H <5S+ 0 0 109 -4,-2.7 4,-0.3 2,-0.2 -1,-0.2 0.821 120.4 32.7 -60.1 -35.4 28.5 28.6 15.3 74 74 A I H ><5S+ 0 0 2 -4,-2.1 3,-1.5 -5,-0.2 4,-0.2 0.937 123.7 39.8 -89.8 -55.9 25.4 30.2 16.9 75 75 A V H ><5S+ 0 0 2 -4,-2.4 3,-1.6 -5,-0.3 -3,-0.2 0.823 107.8 67.0 -66.5 -27.2 23.7 32.2 14.2 76 76 A G T 3< S+ 0 0 12 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.824 109.7 63.9 -58.9 -34.3 15.8 28.2 12.4 80 80 A L G 3 S+ 0 0 62 1,-0.3 -1,-0.3 -21,-0.0 -21,-0.1 0.727 102.4 52.0 -60.5 -23.4 15.6 30.7 9.5 81 81 A F G < S+ 0 0 16 -3,-1.8 2,-0.3 -6,-0.2 -1,-0.3 0.358 96.7 88.8 -96.4 3.3 18.8 29.0 8.1 82 82 A Q < - 0 0 11 -3,-1.7 2,-0.2 -4,-0.2 -27,-0.0 -0.715 48.6-168.4-108.2 151.7 17.5 25.4 8.2 83 83 A D > - 0 0 24 -2,-0.3 4,-1.9 1,-0.1 3,-0.4 -0.639 52.0 -20.6-113.0-177.7 15.7 23.0 5.8 84 84 A E T 4 S+ 0 0 99 1,-0.3 -1,-0.1 2,-0.2 0, 0.0 -0.366 120.7 18.6 -63.8 147.8 14.2 19.6 6.7 85 85 A P T > S+ 0 0 103 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 -0.993 128.2 45.9 -86.9 -13.4 14.7 17.7 9.0 86 86 A D H > S+ 0 0 64 -3,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.838 112.6 54.3 -56.1 -35.3 16.4 20.3 11.3 87 87 A H H X S+ 0 0 5 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.947 109.0 46.5 -64.7 -49.5 13.7 22.8 10.6 88 88 A G H > S+ 0 0 29 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.855 110.5 54.6 -59.6 -38.4 10.9 20.4 11.6 89 89 A R H X S+ 0 0 76 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.963 112.3 40.7 -60.4 -53.6 12.8 19.4 14.7 90 90 A L H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.909 115.8 50.4 -64.1 -44.4 13.2 23.0 16.0 91 91 A R H X S+ 0 0 57 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.827 107.4 54.4 -62.1 -34.6 9.7 24.1 15.1 92 92 A G H < S+ 0 0 55 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.848 109.4 49.7 -68.4 -34.2 8.2 21.0 16.8 93 93 A V H < S+ 0 0 14 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.964 123.4 26.2 -66.8 -55.2 10.0 22.1 20.0 94 94 A V H >< S+ 0 0 2 -4,-2.2 3,-2.1 1,-0.2 4,-0.4 0.727 98.5 89.8 -87.5 -23.2 8.9 25.7 20.1 95 95 A G G >< S+ 0 0 21 -4,-2.3 3,-1.6 -5,-0.3 -1,-0.2 0.785 81.7 55.2 -41.0 -51.1 5.6 25.5 18.2 96 96 A P G 3 S+ 0 0 81 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.565 97.6 65.3 -66.7 -11.1 3.3 24.7 21.2 97 97 A A G < S+ 0 0 10 -3,-2.1 -2,-0.2 1,-0.2 108,-0.1 0.632 99.4 53.7 -81.9 -15.6 4.5 27.9 23.0 98 98 A F S < S+ 0 0 16 -3,-1.6 249,-0.3 -4,-0.4 -1,-0.2 0.333 77.4 122.0-103.3 3.6 2.9 30.0 20.3 99 99 A S S > S- 0 0 41 -3,-0.4 4,-1.3 1,-0.1 5,-0.1 -0.341 75.2-117.9 -64.2 149.5 -0.6 28.6 20.4 100 100 A P T 4 S+ 0 0 69 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.869 118.6 53.4 -53.2 -36.2 -3.4 31.2 21.1 101 101 A S T >4 S+ 0 0 74 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.954 107.4 47.2 -60.8 -54.9 -4.1 29.0 24.2 102 102 A A T 34 S+ 0 0 34 1,-0.3 3,-0.3 -6,-0.2 -1,-0.2 0.658 111.4 54.5 -64.2 -17.2 -0.5 29.1 25.5 103 103 A L T >X S+ 0 0 3 -4,-1.3 3,-1.6 -3,-0.2 4,-0.5 0.396 74.5 93.5-102.1 0.5 -0.4 32.9 24.9 104 104 A R G X4 S+ 0 0 151 -3,-1.5 3,-0.8 -4,-0.3 -1,-0.2 0.803 76.7 70.3 -61.8 -27.2 -3.4 34.0 26.9 105 105 A R G 34 S+ 0 0 102 -4,-0.3 4,-0.4 -3,-0.3 -1,-0.3 0.790 98.3 50.3 -54.0 -29.4 -1.0 34.5 29.8 106 106 A L G <> S+ 0 0 10 -3,-1.6 4,-3.0 1,-0.1 5,-0.3 0.643 83.0 87.2 -92.0 -16.1 0.4 37.5 27.8 107 107 A E H S+ 0 0 94 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.852 115.6 54.4 -63.4 -33.1 -2.9 41.5 30.3 109 109 A V H > S+ 0 0 73 -4,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.929 113.0 41.9 -61.0 -46.9 0.9 41.9 30.1 110 110 A I H X S+ 0 0 2 -4,-3.0 4,-1.7 2,-0.2 5,-0.2 0.915 116.5 46.1 -69.9 -46.6 0.7 43.4 26.6 111 111 A A H X S+ 0 0 48 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.921 116.0 49.7 -59.4 -43.7 -2.3 45.6 27.2 112 112 A G H X S+ 0 0 25 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.885 108.4 50.3 -61.4 -43.3 -0.6 46.6 30.5 113 113 A T H X S+ 0 0 7 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.798 105.8 55.9 -74.7 -22.9 2.7 47.4 28.8 114 114 A V H X S+ 0 0 3 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.893 109.2 49.0 -66.7 -41.0 1.0 49.6 26.2 115 115 A D H X S+ 0 0 108 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.939 109.9 49.6 -60.1 -51.6 -0.5 51.6 29.1 116 116 A D H < S+ 0 0 104 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 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-0.526 67.5 -80.6 -87.4 156.8 13.1 36.7 30.6 149 149 A P > - 0 0 61 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.445 35.4-147.4 -60.7 119.7 13.1 39.9 32.7 150 150 A A G > S+ 0 0 31 -2,-0.3 3,-1.3 1,-0.3 -7,-0.1 0.711 93.4 70.1 -61.1 -22.5 11.1 42.5 30.6 151 151 A A G 3 S+ 0 0 78 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.649 86.8 67.4 -67.1 -17.3 13.4 45.3 32.1 152 152 A D G <> + 0 0 55 -3,-1.9 4,-2.8 1,-0.2 5,-0.4 0.388 67.6 111.9 -81.9 3.8 16.3 43.9 30.1 153 153 A W H <> S+ 0 0 86 -3,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.793 75.4 46.2 -49.1 -39.9 14.5 45.0 26.8 154 154 A G H > S+ 0 0 30 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.949 115.6 42.8 -72.1 -51.6 17.0 47.7 25.9 155 155 A A H > S+ 0 0 53 -4,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.917 120.0 44.0 -60.7 -44.2 20.2 45.8 26.5 156 156 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.867 111.0 53.6 -73.3 -36.9 18.8 42.7 24.8 157 157 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.4 -1,-0.2 0.903 110.2 49.2 -61.6 -39.1 17.3 44.7 21.9 158 158 A R H X S+ 0 0 140 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.942 110.2 48.7 -67.4 -50.2 20.7 46.2 21.4 159 159 A W H X S+ 0 0 36 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.941 113.2 49.5 -50.8 -49.4 22.5 42.8 21.4 160 160 A S H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 -2,-0.2 0.878 110.9 47.4 -65.5 -38.1 20.0 41.5 19.0 161 161 A R H X S+ 0 0 37 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.925 111.8 51.3 -67.9 -39.4 20.3 44.4 16.6 162 162 A D H < S+ 0 0 26 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.916 118.3 37.9 -62.1 -41.4 24.1 44.2 16.7 163 163 A V H >< S+ 0 0 2 -4,-2.5 3,-1.4 -5,-0.2 -2,-0.2 0.931 117.0 51.8 -71.5 -47.0 23.9 40.4 15.9 164 164 A G H >< S+ 0 0 2 -4,-3.3 3,-1.8 1,-0.3 -2,-0.2 0.837 101.1 58.7 -61.2 -39.1 21.0 40.8 13.5 165 165 A R G >< S+ 0 0 84 -4,-2.7 3,-0.6 1,-0.3 -1,-0.3 0.533 90.9 74.9 -69.2 -4.4 22.5 43.5 11.3 166 166 A T G < S+ 0 0 2 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.608 90.2 55.4 -85.0 -12.4 25.4 41.0 10.7 167 167 A L G < S+ 0 0 33 -3,-1.8 2,-0.8 -4,-0.2 -1,-0.2 0.424 80.9 108.9 -92.1 -6.9 23.1 39.1 8.3 168 168 A D < - 0 0 19 -3,-0.6 -3,-0.0 -4,-0.2 212,-0.0 -0.675 69.6-143.1 -80.6 111.0 22.5 42.3 6.3 169 169 A R S S+ 0 0 192 -2,-0.8 2,-1.4 1,-0.2 -1,-0.2 0.732 95.2 70.4 -51.5 -30.3 24.3 41.7 3.0 170 170 A G S S+ 0 0 63 -3,-0.0 -1,-0.2 2,-0.0 2,-0.2 -0.744 83.3 168.3 -81.6 86.2 25.3 45.4 3.0 171 171 A A - 0 0 50 -2,-1.4 2,-0.3 -4,-0.1 -5,-0.1 -0.540 26.6-146.1-102.8 166.2 27.7 44.8 5.9 172 172 A S > - 0 0 57 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.947 26.5-124.3-128.6 153.6 30.4 47.0 7.6 173 173 A A H > S+ 0 0 79 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.833 120.6 49.8 -57.6 -33.9 33.7 46.2 9.3 174 174 A E H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 108.1 50.4 -69.8 -48.0 32.2 48.1 12.2 175 175 A D H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.913 112.0 50.2 -54.3 -46.8 28.9 46.1 12.1 176 176 A M H X S+ 0 0 40 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.922 108.4 48.5 -60.0 -52.4 31.0 42.9 12.1 177 177 A R H X S+ 0 0 156 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.913 115.7 46.1 -58.5 -43.2 33.2 43.8 15.1 178 178 A R H X S+ 0 0 87 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.823 111.3 52.8 -65.3 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