==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-OCT-08 3F0P . COMPND 2 MOLECULE: ALKYLMERCURY LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.LAFRANCE-VANASSE,M.LEFEBVRE,P.DI LELLO,J.SYGUSCH, . 403 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17502.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 21.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 26 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.5 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 5 0 2 3 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 5 6 3 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 M 0 0 165 0, 0.0 2,-0.7 0, 0.0 184,-0.0 0.000 360.0 360.0 360.0 -50.5 1.5 18.0 42.0 2 2 A K + 0 0 185 1,-0.1 4,-0.2 2,-0.0 0, 0.0 -0.665 360.0 176.9 -74.4 112.7 -0.5 15.4 44.0 3 3 A L > + 0 0 30 -2,-0.7 4,-2.1 1,-0.2 3,-0.4 0.487 48.3 97.8-103.6 -2.7 1.1 12.2 42.9 4 4 A A H > S+ 0 0 70 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.879 81.7 54.1 -54.0 -44.5 -0.7 9.5 45.0 5 5 A P H > S+ 0 0 61 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.909 110.1 48.1 -60.8 -37.5 -3.2 8.5 42.3 6 6 A Y H > S+ 0 0 32 -3,-0.4 4,-2.3 -4,-0.2 5,-0.3 0.923 113.9 45.7 -65.3 -47.1 -0.3 7.8 39.9 7 7 A I H X S+ 0 0 18 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.945 114.5 49.0 -60.0 -49.3 1.7 5.8 42.4 8 8 A L H X S+ 0 0 99 -4,-3.0 4,-1.7 -5,-0.2 -2,-0.2 0.929 115.4 41.7 -57.3 -49.3 -1.4 3.8 43.5 9 9 A E H X S+ 0 0 33 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.841 114.4 50.7 -73.1 -32.3 -2.6 2.9 40.0 10 10 A L H X S+ 0 0 12 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.915 110.6 50.0 -70.9 -41.3 0.9 2.1 38.7 11 11 A L H X S+ 0 0 27 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.879 112.5 47.9 -59.1 -39.4 1.5 -0.2 41.7 12 12 A T H < S+ 0 0 52 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.899 113.3 46.9 -69.5 -41.2 -1.8 -1.9 41.0 13 13 A S H < S+ 0 0 7 -4,-2.3 -2,-0.2 1,-0.2 3,-0.2 0.832 120.4 38.9 -68.9 -34.8 -1.0 -2.3 37.3 14 14 A V H < S+ 0 0 31 -4,-2.3 2,-1.2 1,-0.2 3,-0.2 0.891 110.9 56.5 -84.4 -42.2 2.4 -3.6 38.0 15 15 A N < + 0 0 58 -4,-2.8 -1,-0.2 -5,-0.2 3,-0.1 -0.636 59.6 144.3 -95.9 80.0 1.8 -5.8 41.1 16 16 A R + 0 0 84 -2,-1.2 2,-0.3 -3,-0.2 -1,-0.2 0.643 64.8 20.4 -96.8 -15.5 -0.9 -8.2 39.8 17 17 A T S > S- 0 0 44 -3,-0.2 3,-1.6 39,-0.0 4,-0.3 -0.945 93.0 -78.9-144.4 166.8 0.1 -11.3 41.7 18 18 A N T 3 S+ 0 0 148 -2,-0.3 -2,-0.0 1,-0.2 38,-0.0 -0.511 116.0 24.5 -65.4 128.4 2.1 -12.5 44.7 19 19 A G T 3> S+ 0 0 12 -2,-0.3 4,-2.5 187,-0.2 5,-0.3 0.335 81.2 120.8 99.0 -6.4 5.8 -12.4 43.8 20 20 A T H <> S+ 0 0 3 -3,-1.6 4,-3.0 1,-0.2 5,-0.1 0.946 82.5 40.0 -55.4 -50.0 5.7 -9.9 41.1 21 21 A A H > S+ 0 0 2 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.886 112.8 56.6 -67.5 -37.5 8.1 -7.5 42.8 22 22 A D H 4 S+ 0 0 27 184,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.875 116.9 36.2 -56.8 -39.4 10.2 -10.4 44.0 23 23 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.1 -2,-0.2 0.868 110.0 62.3 -81.6 -39.0 10.6 -11.4 40.3 24 24 A L H X S+ 0 0 11 -4,-3.0 4,-2.7 -5,-0.3 5,-0.2 0.887 101.0 49.4 -61.0 -44.3 10.8 -7.9 38.8 25 25 A V H X S+ 0 0 3 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.954 113.7 43.4 -65.0 -50.5 13.9 -6.7 40.5 26 26 A P H > S+ 0 0 18 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.899 114.4 53.7 -60.0 -37.3 16.1 -9.8 39.7 27 27 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.937 108.6 47.2 -62.4 -46.9 14.7 -9.7 36.1 28 28 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.897 111.3 52.1 -61.8 -38.4 15.6 -6.1 35.6 29 29 A R H < S+ 0 0 126 -4,-2.3 -1,-0.2 -5,-0.2 4,-0.2 0.878 112.6 45.3 -66.8 -35.4 19.1 -6.8 36.9 30 30 A E H ><>S+ 0 0 38 -4,-2.1 3,-1.3 -5,-0.2 5,-0.6 0.896 112.1 50.5 -72.9 -42.0 19.5 -9.7 34.5 31 31 A L H ><5S+ 0 0 0 -4,-2.9 3,-2.9 1,-0.3 -2,-0.2 0.881 99.2 66.4 -62.8 -36.5 18.1 -7.7 31.5 32 32 A A T 3<5S+ 0 0 10 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.647 86.4 71.2 -63.6 -12.2 20.5 -4.9 32.3 33 33 A K T < 5S- 0 0 121 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.607 112.1-120.5 -76.7 -12.5 23.3 -7.3 31.4 34 34 A G T < 5S+ 0 0 17 -3,-2.9 -2,-0.1 1,-0.3 -3,-0.1 0.564 75.8 101.2 91.1 9.1 22.1 -6.9 27.8 35 35 A R S - 0 0 27 -2,-0.5 4,-1.6 32,-0.2 3,-0.4 -0.585 21.0-123.5 -86.1 152.7 15.6 -17.5 30.5 39 39 A R H > S+ 0 0 42 1,-0.2 4,-2.6 -2,-0.2 5,-0.1 0.847 112.3 58.8 -59.0 -34.4 12.9 -18.5 33.0 40 40 A T H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.867 101.4 54.5 -66.9 -33.8 15.3 -21.1 34.4 41 41 A T H > S+ 0 0 57 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.939 111.4 44.6 -62.3 -45.5 17.9 -18.3 35.2 42 42 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.888 109.9 56.0 -64.3 -40.3 15.2 -16.5 37.2 43 43 A A H X>S+ 0 0 13 -4,-2.6 4,-1.9 1,-0.2 5,-1.7 0.928 109.1 47.5 -56.0 -46.8 14.1 -19.7 38.8 44 44 A G H <5S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.890 112.0 48.2 -62.6 -42.4 17.6 -20.2 40.0 45 45 A I H <5S+ 0 0 81 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.888 121.1 36.7 -66.4 -37.0 18.0 -16.7 41.3 46 46 A L H <5S- 0 0 31 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.658 101.6-125.2 -89.6 -18.4 14.7 -16.8 43.2 47 47 A D T <5 + 0 0 147 -4,-1.9 -3,-0.2 1,-0.3 -4,-0.1 0.883 66.2 136.5 65.3 39.8 14.7 -20.4 44.4 48 48 A W < - 0 0 37 -5,-1.7 -1,-0.3 -6,-0.2 2,-0.2 -0.833 64.9-103.7-109.8 153.1 11.3 -20.8 42.7 49 49 A P >> - 0 0 84 0, 0.0 4,-1.4 0, 0.0 3,-0.9 -0.557 35.4-120.2 -64.9 143.2 10.0 -23.7 40.5 50 50 A A H 3> S+ 0 0 46 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.774 112.6 67.6 -60.9 -26.0 10.1 -22.5 36.9 51 51 A E H 3> S+ 0 0 167 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.932 99.9 48.2 -53.3 -50.7 6.4 -23.1 36.9 52 52 A R H <> S+ 0 0 101 -3,-0.9 4,-2.2 1,-0.2 5,-0.2 0.888 107.2 54.2 -61.6 -45.4 5.9 -20.2 39.3 53 53 A V H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.923 109.3 51.0 -51.6 -43.9 8.1 -17.9 37.3 54 54 A A H X S+ 0 0 26 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.889 107.3 51.5 -64.7 -41.2 5.8 -18.7 34.3 55 55 A A H X S+ 0 0 49 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.865 109.9 49.1 -65.9 -39.7 2.6 -17.9 36.2 56 56 A V H >X S+ 0 0 5 -4,-2.2 3,-0.5 1,-0.2 4,-0.5 0.934 113.7 46.7 -62.8 -44.8 3.9 -14.5 37.3 57 57 A L H >< S+ 0 0 2 -4,-2.1 3,-0.9 1,-0.2 6,-0.3 0.835 102.5 63.9 -68.1 -33.3 5.0 -13.7 33.8 58 58 A E H 3< S+ 0 0 141 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.829 100.8 51.7 -60.9 -33.3 1.7 -14.9 32.3 59 59 A Q H << S+ 0 0 86 -4,-1.0 2,-1.4 -3,-0.5 -1,-0.3 0.677 94.7 78.0 -75.4 -18.0 -0.1 -12.1 34.2 60 60 A A X< + 0 0 13 -3,-0.9 3,-1.9 -4,-0.5 -1,-0.2 -0.630 63.8 176.1 -93.2 78.1 2.4 -9.7 32.7 61 61 A T T 3 S+ 0 0 72 -2,-1.4 -1,-0.2 1,-0.3 92,-0.1 0.709 71.1 58.2 -58.0 -27.5 0.7 -9.5 29.3 62 62 A S T 3 S+ 0 0 12 -3,-0.1 -1,-0.3 221,-0.1 13,-0.1 0.566 74.5 129.3 -83.2 -6.7 3.1 -6.9 27.9 63 63 A T < - 0 0 2 -3,-1.9 2,-0.4 -6,-0.3 11,-0.2 -0.205 52.6-138.2 -55.2 133.9 6.2 -9.0 28.4 64 64 A E E -B 73 0A 9 9,-2.5 8,-2.6 204,-0.1 9,-1.7 -0.794 20.6-173.4 -98.1 137.3 8.4 -9.3 25.3 65 65 A Y E -BC 71 269A 17 204,-0.8 204,-0.8 -2,-0.4 6,-0.2 -0.880 14.9-132.6-122.4 157.5 10.0 -12.6 24.2 66 66 A D > - 0 0 26 4,-2.1 3,-2.1 -2,-0.3 207,-0.1 -0.340 43.5 -82.5 -98.3-175.7 12.4 -13.5 21.5 67 67 A K T 3 S+ 0 0 112 1,-0.3 203,-0.1 2,-0.1 208,-0.0 0.658 130.0 54.7 -63.6 -16.5 12.3 -16.3 18.9 68 68 A D T 3 S- 0 0 98 2,-0.1 -1,-0.3 201,-0.1 3,-0.1 0.418 117.9-110.8 -92.6 -3.1 13.8 -18.6 21.5 69 69 A G S < S+ 0 0 6 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.575 73.3 138.0 81.1 9.1 11.1 -17.9 24.1 70 70 A N - 0 0 45 -32,-0.1 -4,-2.1 1,-0.1 2,-0.3 -0.556 62.4 -99.5 -85.8 155.8 13.5 -16.0 26.3 71 71 A I E +AB 37 65A 0 -34,-2.8 -34,-2.8 -6,-0.2 -6,-0.2 -0.572 47.4 159.4 -75.8 127.6 12.5 -12.8 28.0 72 72 A I E + 0 0 25 -8,-2.6 6,-2.6 -2,-0.3 7,-0.4 0.462 62.1 36.3-122.8 -10.1 13.8 -9.7 26.3 73 73 A G E +DB 77 64A 0 -9,-1.7 -9,-2.5 4,-0.3 -1,-0.3 -0.931 42.1 141.1-152.6 128.0 11.5 -7.0 27.6 74 74 A Y S S- 0 0 25 2,-2.9 2,-2.2 -2,-0.3 -11,-0.1 -0.567 97.5 -47.3-156.9 82.0 9.7 -6.1 30.8 75 75 A G S S+ 0 0 5 -13,-0.1 20,-2.2 -2,-0.1 2,-0.4 -0.385 143.8 58.9 81.3 -62.2 9.9 -2.3 31.2 76 76 A L E S- E 0 94A 1 -2,-2.2 -2,-2.9 18,-0.2 2,-0.3 -0.826 83.9-178.2 -89.4 138.3 13.6 -2.6 30.4 77 77 A T E -DE 73 93A 0 16,-2.9 16,-2.3 -2,-0.4 -4,-0.3 -0.983 44.7-147.2-144.2 152.7 13.9 -4.1 26.9 78 78 A L S S+ 0 0 45 -6,-2.6 2,-0.5 -2,-0.3 -5,-0.1 0.533 81.9 92.1 -88.1 -7.6 16.4 -5.3 24.3 79 79 A R S S- 0 0 24 -7,-0.4 -2,-0.1 14,-0.1 187,-0.0 -0.767 92.2 -97.6 -94.5 127.9 14.0 -4.2 21.6 80 80 A E + 0 0 80 -2,-0.5 2,-0.2 13,-0.1 -1,-0.1 -0.063 51.7 160.6 -47.9 129.5 14.4 -0.7 20.3 81 81 A T - 0 0 6 2,-0.1 14,-0.1 -4,-0.1 15,-0.1 -0.798 56.5 -91.9-131.1-176.0 12.2 2.1 21.7 82 82 A S S S+ 0 0 52 -2,-0.2 2,-0.6 1,-0.1 34,-0.3 0.520 108.8 74.4 -73.2 -6.1 12.3 5.9 21.8 83 83 A Y E -F 94 0A 14 11,-0.5 11,-2.0 32,-0.1 2,-0.3 -0.897 68.7-160.9-118.5 102.7 14.1 5.7 25.2 84 84 A V E -FG 93 114A 28 30,-2.9 30,-2.1 -2,-0.6 2,-0.4 -0.667 8.2-174.8 -85.5 136.3 17.7 4.6 25.1 85 85 A F E -FG 92 113A 0 7,-2.9 7,-2.2 -2,-0.3 2,-0.5 -0.929 4.7-169.3-138.7 103.0 18.9 3.3 28.5 86 86 A E E -FG 91 112A 57 26,-2.6 26,-2.5 -2,-0.4 2,-0.6 -0.861 11.9-171.5-109.8 129.0 22.6 2.5 28.7 87 87 A I E > -F 90 0A 7 3,-2.2 3,-2.3 -2,-0.5 24,-0.1 -0.965 65.8 -58.3-116.1 111.0 24.4 0.6 31.5 88 88 A D T 3 S- 0 0 111 -2,-0.6 24,-0.1 22,-0.5 21,-0.0 -0.327 123.6 -10.9 51.2-123.4 28.1 0.7 31.0 89 89 A D T 3 S+ 0 0 139 -3,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.218 117.7 94.5 -91.5 15.7 28.8 -0.9 27.7 90 90 A R E < - F 0 87A 107 -3,-2.3 -3,-2.2 -58,-0.1 2,-0.7 -0.927 61.1-151.5-114.2 120.1 25.3 -2.2 27.2 91 91 A R E + F 0 86A 157 -2,-0.6 -5,-0.2 -5,-0.2 2,-0.2 -0.782 28.8 162.0 -87.4 113.8 22.7 -0.4 25.2 92 92 A L E - F 0 85A 1 -7,-2.2 -7,-2.9 -2,-0.7 2,-0.3 -0.583 25.1-135.6-116.3-179.3 19.2 -1.2 26.4 93 93 A Y E -EF 77 84A 33 -16,-2.3 -16,-2.9 -9,-0.3 2,-0.3 -0.887 6.8-141.1-135.5 165.4 15.8 0.5 26.0 94 94 A A E -EF 76 83A 0 -11,-2.0 -11,-0.5 -2,-0.3 -18,-0.2 -0.943 20.0-126.3-129.5 155.5 12.9 1.4 28.2 95 95 A W S S- 0 0 15 -20,-2.2 2,-0.3 -2,-0.3 -13,-0.1 0.731 87.0 -6.7 -73.8 -21.3 9.1 1.4 27.6 96 96 A C S > S- 0 0 0 -21,-0.2 4,-1.2 1,-0.1 67,-0.2 -0.979 75.0 -92.2-162.3 174.0 8.6 5.0 28.6 97 97 A A H > S+ 0 0 0 65,-2.3 4,-0.7 62,-0.3 3,-0.4 0.905 120.2 51.8 -61.5 -44.6 10.2 8.1 30.1 98 98 A L H >> S+ 0 0 3 1,-0.2 4,-1.4 46,-0.2 3,-1.2 0.884 102.4 60.7 -64.2 -35.9 9.2 7.3 33.7 99 99 A D H 3> S+ 0 0 19 1,-0.3 4,-2.5 2,-0.2 3,-0.3 0.884 99.0 57.0 -55.2 -40.0 10.8 3.8 33.4 100 100 A T H 3< S+ 0 0 0 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.755 109.0 46.2 -64.9 -21.2 14.1 5.4 32.7 101 101 A L H << S+ 0 0 4 -3,-1.2 4,-0.3 -4,-0.7 -1,-0.2 0.722 116.8 43.6 -92.4 -23.4 13.9 7.3 36.0 102 102 A I H >X S+ 0 0 3 -4,-1.4 4,-1.1 -3,-0.3 3,-0.5 0.837 101.3 63.2 -88.8 -43.4 12.8 4.2 38.1 103 103 A F H 3X S+ 0 0 11 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.823 88.7 65.7 -65.1 -34.8 15.0 1.4 36.9 104 104 A P H 3>>S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 5,-1.4 0.921 104.8 46.2 -56.9 -41.6 18.4 2.7 38.0 105 105 A A H <45S+ 0 0 36 -3,-0.5 -2,-0.2 24,-0.3 -3,-0.1 0.870 114.2 48.8 -63.7 -36.4 17.5 2.5 41.7 106 106 A L H <5S+ 0 0 3 -4,-1.1 -1,-0.2 1,-0.2 -3,-0.1 0.842 118.0 39.2 -74.3 -32.1 16.0 -1.0 41.2 107 107 A I H <5S- 0 0 14 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.684 104.0-129.4 -88.9 -20.0 19.1 -2.3 39.3 108 108 A G T <5S+ 0 0 42 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.2 0.739 70.6 106.5 75.6 25.7 21.6 -0.5 41.5 109 109 A R S - 0 0 4 5,-2.8 4,-2.2 -2,-0.3 48,-0.3 -0.340 29.2-141.9 -54.6 128.2 11.4 15.5 22.7 118 118 A A T 4 S+ 0 0 26 46,-2.2 264,-0.2 1,-0.2 265,-0.2 0.687 98.5 41.6 -69.9 -18.9 7.9 14.1 21.7 119 119 A A T 4 S+ 0 0 5 45,-0.2 262,-2.1 261,-0.1 263,-0.4 0.756 132.4 14.7 -97.2 -31.2 6.8 17.5 20.6 120 120 A T T 4 S- 0 0 58 261,-0.2 -2,-0.2 260,-0.2 260,-0.1 0.560 88.3-122.9-124.6 -16.0 9.8 18.9 18.7 121 121 A G < + 0 0 27 -4,-2.2 -3,-0.1 1,-0.3 3,-0.1 0.388 56.5 150.9 85.4 -4.7 12.2 16.1 18.0 122 122 A A - 0 0 36 -6,-0.1 -5,-2.8 1,-0.1 -1,-0.3 -0.332 53.8-105.5 -60.1 136.3 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58.7-115.4-161.4 167.4 19.7 11.5 41.8 133 133 A I E +I 128 0A 13 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.844 32.1 175.2-111.1 152.8 19.7 12.8 38.2 134 134 A Q E +I 127 0A 108 -7,-2.4 -7,-2.7 -2,-0.3 3,-0.2 -0.914 52.9 33.8-146.6 169.4 22.5 14.8 36.6 135 135 A A E - 0 0 47 -2,-0.3 2,-0.6 -9,-0.2 -1,-0.1 0.868 69.2-172.6 47.0 47.5 23.6 16.3 33.3 136 136 A V E - 0 0 23 -10,-0.2 -10,-0.2 -3,-0.1 -1,-0.2 -0.596 15.5-138.4 -74.1 115.7 20.0 17.1 32.4 137 137 A E E S+I 125 0A 117 -12,-2.9 -12,-2.5 -2,-0.6 2,-0.1 -0.963 88.3 18.6-132.9 117.9 20.0 18.3 28.8 138 138 A P S > S- 0 0 57 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.616 94.3-134.6 -76.8 165.7 18.4 20.6 28.2 139 139 A A T 3 S+ 0 0 78 1,-0.3 -2,-0.1 -2,-0.1 -3,-0.1 0.705 98.0 55.4 -65.2 -25.7 18.0 21.7 31.8 140 140 A G T 3 S+ 0 0 43 26,-0.3 28,-0.6 48,-0.1 -1,-0.3 0.207 76.5 157.1 -94.4 16.8 14.3 22.3 31.7 141 141 A M < - 0 0 1 -3,-1.7 48,-2.4 26,-0.2 49,-0.3 0.003 21.4-163.4 -46.9 142.6 13.3 18.8 30.5 142 142 A A E -RS 165 188B 0 23,-2.1 23,-2.3 46,-0.3 2,-0.3 -0.786 10.9-146.4-128.9 169.0 9.8 17.7 31.2 143 143 A V E -RS 164 187B 0 44,-2.8 44,-2.4 -2,-0.3 2,-0.4 -0.988 12.5-134.1-138.0 140.9 7.8 14.5 31.4 144 144 A S E - S 0 186B 0 19,-1.9 2,-0.3 -2,-0.3 42,-0.2 -0.804 22.5-168.2 -93.2 142.1 4.2 13.7 30.6 145 145 A L E - S 0 185B 1 40,-2.8 40,-2.2 -2,-0.4 2,-0.3 -0.936 7.8-178.3-122.2 148.7 2.2 11.5 33.0 146 146 A V - 0 0 4 -2,-0.3 37,-0.2 38,-0.2 38,-0.1 -0.931 40.5 -94.4-132.4 164.6 -1.3 9.8 32.6 147 147 A L - 0 0 41 35,-2.9 35,-0.1 -2,-0.3 -141,-0.1 -0.698 44.3-126.2 -77.7 120.3 -3.2 7.7 35.1 148 148 A P - 0 0 4 0, 0.0 2,-0.3 0, 0.0 10,-0.1 -0.330 18.5-125.7 -61.6 147.5 -2.5 4.0 34.5 149 149 A Q - 0 0 107 4,-0.1 8,-0.1 1,-0.1 3,-0.1 -0.738 12.2-139.7 -93.1 148.4 -5.5 1.8 33.9 150 150 A E S S+ 0 0 106 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.903 94.3 29.9 -78.1 -41.8 -5.7 -1.3 36.2 151 151 A A S S+ 0 0 102 2,-0.1 2,-0.2 3,-0.0 -1,-0.2 0.291 103.2 93.3-104.7 7.5 -6.9 -4.0 33.9 152 152 A A S S- 0 0 9 -3,-0.1 2,-0.2 1,-0.1 -3,-0.0 -0.645 91.5 -87.2 -98.8 157.9 -5.3 -2.8 30.7 153 153 A D > - 0 0 6 -2,-0.2 4,-2.1 1,-0.2 5,-0.3 -0.470 39.3-135.3 -58.9 126.9 -1.9 -3.6 29.2 154 154 A V H >>S+ 0 0 20 1,-0.2 5,-2.2 2,-0.2 4,-1.9 0.794 100.2 53.6 -64.6 -28.2 0.4 -1.1 30.8 155 155 A R H 4>S+ 0 0 55 3,-0.2 5,-2.0 2,-0.2 -1,-0.2 0.897 112.4 42.7 -71.9 -40.8 2.2 -0.2 27.5 156 156 A Q H 45S+ 0 0 32 -3,-0.3 -2,-0.2 3,-0.2 -1,-0.2 0.864 124.6 34.2 -72.3 -37.0 -1.0 0.7 25.7 157 157 A S H <5S+ 0 0 6 -4,-2.1 -2,-0.2 -8,-0.1 -3,-0.2 0.732 137.2 6.1 -95.7 -25.4 -2.6 2.6 28.6 158 158 A F T ><5S+ 0 0 5 -4,-1.9 3,-2.3 -5,-0.3 4,-0.4 0.692 119.2 54.5-122.9 -62.1 0.3 4.3 30.3 159 159 A C G > - 0 0 32 -26,-0.1 4,-2.2 1,-0.1 -26,-0.2 -0.982 67.4-103.0-159.5 166.4 10.7 21.9 28.4 168 168 A V H > S+ 0 0 43 -28,-0.6 4,-3.0 -2,-0.3 5,-0.2 0.944 118.9 49.4 -62.6 -48.5 7.6 22.4 30.5 169 169 A P H > S+ 0 0 90 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.910 112.3 49.0 -59.6 -39.2 6.1 25.1 28.2 170 170 A T H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.916 113.1 46.9 -63.0 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6.9 -9.5 12.7 27.0 181 181 A L X - 0 0 43 -3,-0.6 3,-2.1 -20,-0.0 -1,-0.2 -0.885 66.9-120.7 -97.9 108.9 -6.5 11.1 28.6 182 182 A E T 3 S- 0 0 145 -2,-0.8 -35,-2.9 1,-0.3 -3,-0.0 -0.220 89.4 -0.6 -54.0 120.2 -7.3 10.5 32.3 183 183 A G T 3 S+ 0 0 25 -37,-0.2 -1,-0.3 1,-0.2 2,-0.1 0.650 81.4 175.2 78.5 17.6 -4.9 12.3 34.5 184 184 A L < + 0 0 45 -3,-2.1 2,-0.3 -38,-0.1 -38,-0.2 -0.353 12.3 160.6 -57.7 128.0 -2.8 13.9 31.8 185 185 A A E -S 145 0B 29 -40,-2.2 -40,-2.8 -2,-0.1 2,-0.5 -0.996 35.8-136.6-153.0 148.7 -0.2 16.1 33.5 186 186 A I E +S 144 0B 25 -2,-0.3 2,-0.3 -42,-0.2 -42,-0.2 -0.925 28.9 169.4-110.0 132.4 3.1 17.7 32.7 187 187 A V E -S 143 0B 5 -44,-2.4 -44,-2.8 -2,-0.5 2,-0.0 -0.920 38.2 -98.4-134.0 159.7 5.9 17.7 35.4 188 188 A S E > -S 142 0B 40 -2,-0.3 4,-2.5 -46,-0.2 -46,-0.3 -0.374 39.4-110.0 -70.2 160.4 9.6 18.6 35.4 189 189 A V H > S+ 0 0 0 -48,-2.4 4,-2.1 1,-0.2 5,-0.1 0.848 121.3 57.3 -61.0 -30.1 11.9 15.7 35.1 190 190 A H H > S+ 0 0 111 -49,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.910 106.7 46.8 -64.5 -43.6 12.9 16.4 38.7 191 191 A E H > S+ 0 0 49 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.909 112.1 51.2 -64.7 -42.9 9.3 15.9 39.8 192 192 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.871 107.5 52.9 -59.8 -38.4 9.0 12.8 37.7 193 193 A F H X S+ 0 0 17 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.907 108.2 50.5 -65.7 -40.5 12.2 11.4 39.4 194 194 A G H X S+ 0 0 25 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.879 108.4 52.3 -64.3 -37.7 10.6 12.0 42.8 195 195 A L H X S+ 0 0 6 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.943 108.3 51.3 -58.3 -47.2 7.5 10.2 41.7 196 196 A G H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.880 107.9 52.9 -57.1 -40.8 9.7 7.3 40.6 197 197 A Q H X S+ 0 0 90 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.904 110.2 46.3 -63.7 -44.1 11.4 7.3 44.1 198 198 A E H X S+ 0 0 82 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.899 112.2 51.6 -65.4 -41.2 8.0 7.1 45.9 199 199 A F H X S+ 0 0 9 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.953 110.4 48.7 -57.4 -51.0 6.9 4.3 43.6 200 200 A N H X S+ 0 0 8 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.886 107.1 55.7 -57.2 -42.3 10.1 2.4 44.2 201 201 A R H X S+ 0 0 111 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.939 113.0 41.4 -57.5 -46.6 9.7 2.8 48.0 202 202 A H H < S+ 0 0 63 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.904 115.8 50.0 -68.1 -43.0 6.2 1.3 47.9 203 203 A L H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.929 111.6 47.4 -58.0 -49.0 7.2 -1.5 45.4 204 204 A L H >< S+ 0 0 77 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.826 102.6 63.4 -67.6 -31.5 10.3 -2.5 47.4 205 205 A Q T 3< S+ 0 0 129 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.623 97.8 59.1 -68.6 -10.7 8.3 -2.6 50.6 206 206 A T T < S+ 0 0 67 -3,-1.4 -1,-0.3 -4,-0.4 -187,-0.2 0.325 82.2 108.3 -99.7 5.3 6.2 -5.4 49.1 207 207 A M < 0 0 63 -3,-1.7 -187,-0.0 -186,-0.1 -3,-0.0 -0.484 360.0 360.0 -82.7 157.1 9.2 -7.8 48.5 208 208 A S 0 0 143 -2,-0.1 -1,-0.1 -189,-0.0 -3,-0.0 0.740 360.0 360.0 -53.6 360.0 9.6 -10.9 50.6 209 !* 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 0.0 210 1 B M 0 0 116 0, 0.0 2,-0.6 0, 0.0 177,-0.0 0.000 360.0 360.0 360.0 110.4 -2.1 14.8 -1.1 211 2 B K - 0 0 180 1,-0.1 4,-0.2 2,-0.0 0, 0.0 -0.754 360.0-170.6 -81.0 118.9 0.3 12.8 -3.3 212 3 B L >> + 0 0 28 -2,-0.6 4,-2.2 1,-0.2 3,-0.7 0.490 56.0 102.4 -93.7 -2.6 0.6 9.4 -1.6 213 4 B A H 3> S+ 0 0 66 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.866 78.9 52.3 -50.8 -45.6 3.5 8.0 -3.7 214 5 B P H 3> S+ 0 0 56 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.889 111.8 48.1 -60.8 -35.2 6.2 8.7 -1.1 215 6 B Y H <> S+ 0 0 18 -3,-0.7 4,-2.2 -4,-0.2 -2,-0.2 0.891 111.7 47.6 -72.1 -39.7 4.1 6.8 1.5 216 7 B I H X S+ 0 0 24 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.937 112.2 52.4 -63.5 -44.0 3.4 3.8 -0.8 217 8 B L H X S+ 0 0 99 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.893 112.0 43.4 -60.0 -44.3 7.1 3.7 -1.6 218 9 B E H < S+ 0 0 73 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.845 110.7 55.4 -75.0 -32.7 8.2 3.7 2.0 219 10 B L H < S+ 0 0 41 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.919 112.4 43.7 -59.3 -45.1 5.6 1.1 3.0 220 11 B L H < 0 0 71 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.911 360.0 360.0 -68.2 -41.6 6.9 -1.2 0.3 221 12 B T < 0 0 128 -4,-2.2 -3,-0.2 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