==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 29-APR-11 3RRB . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR I.A.SHUMILIN,M.CYMBOROWSKI,S.A.LESLEY,W.MINOR . 495 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.4 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 . 38 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 3 2 2 1 1 2 0 2 2 2 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 2 4 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 PARALLEL BRIDGES PER LADDER . 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 0 1 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 M > 0 0 44 0, 0.0 4,-2.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -27.9 0.6 48.6 19.4 2 2 A K H > + 0 0 141 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.905 360.0 49.2 -57.5 -40.0 -1.3 51.8 19.0 3 3 A E H > S+ 0 0 133 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.663 106.8 58.2 -71.7 -17.4 2.1 53.4 19.6 4 4 A I H > S+ 0 0 12 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.907 104.3 46.1 -84.6 -42.6 3.5 51.1 17.0 5 5 A D H X S+ 0 0 61 -4,-2.3 4,-1.8 1,-0.2 5,-0.2 0.927 115.5 51.7 -55.5 -44.2 1.3 52.2 14.1 6 6 A E H X S+ 0 0 101 -4,-1.8 4,-2.6 -5,-0.2 5,-0.3 0.834 110.8 44.1 -63.2 -42.2 2.1 55.7 15.2 7 7 A L H X>S+ 0 0 75 -4,-1.5 4,-3.0 2,-0.2 5,-2.1 0.936 110.5 55.1 -73.9 -41.0 5.9 55.3 15.2 8 8 A T H <5S+ 0 0 0 -4,-2.3 6,-2.3 3,-0.2 5,-0.4 0.848 119.0 34.9 -62.2 -31.4 5.8 53.4 11.9 9 9 A I H X5S+ 0 0 63 -4,-1.8 4,-0.6 4,-0.2 -2,-0.2 0.955 125.6 36.5 -79.4 -55.9 3.9 56.4 10.3 10 10 A K H <5S+ 0 0 165 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.754 132.2 19.8 -80.3 -30.8 5.4 59.3 12.0 11 11 A E T <5S+ 0 0 140 -4,-3.0 -3,-0.2 -5,-0.3 -1,-0.1 0.753 130.1 40.2-110.8 -33.4 9.1 58.4 12.5 12 12 A Y T 4> - 0 0 62 -2,-0.5 4,-1.7 1,-0.2 3,-0.5 -0.301 14.0-133.2 -55.3 138.1 2.1 56.2 4.7 16 16 A S H 3> S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.790 106.9 63.8 -67.5 -25.9 -0.9 55.2 6.8 17 17 A R H 3> S+ 0 0 116 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 101.7 50.4 -62.0 -37.7 -2.7 54.4 3.6 18 18 A I H <> S+ 0 0 96 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.919 108.3 50.7 -68.1 -46.6 -0.1 51.7 2.9 19 19 A L H X S+ 0 0 11 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.918 111.6 49.9 -53.3 -42.6 -0.5 50.1 6.3 20 20 A M H X S+ 0 0 8 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.908 111.4 47.4 -67.2 -39.6 -4.3 50.0 5.7 21 21 A E H X S+ 0 0 53 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.955 111.2 50.3 -64.7 -49.8 -3.9 48.4 2.3 22 22 A R H X S+ 0 0 65 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.857 110.6 51.6 -57.3 -37.7 -1.5 45.8 3.6 23 23 A A H X S+ 0 0 2 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.927 110.3 48.4 -65.1 -42.6 -4.0 45.0 6.4 24 24 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.915 110.5 48.1 -67.8 -45.0 -6.8 44.6 4.1 25 25 A I H X S+ 0 0 55 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.816 105.7 60.0 -67.7 -29.4 -5.1 42.3 1.7 26 26 A S H X S+ 0 0 1 -4,-1.5 4,-2.4 -5,-0.3 -1,-0.2 0.894 104.6 50.3 -56.2 -43.7 -3.9 40.2 4.6 27 27 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.943 109.3 50.4 -62.7 -45.0 -7.5 39.6 5.4 28 28 A V H X S+ 0 0 24 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.925 112.8 46.7 -58.0 -44.1 -8.2 38.6 1.9 29 29 A L H X S+ 0 0 72 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.872 109.5 53.2 -70.6 -34.6 -5.3 36.1 1.8 30 30 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.876 108.7 50.3 -63.2 -40.1 -6.2 34.6 5.2 31 31 A M H X S+ 0 0 0 -4,-2.0 4,-3.8 2,-0.2 5,-0.3 0.912 108.4 52.5 -67.4 -40.4 -9.7 33.9 4.0 32 32 A E H X S+ 0 0 88 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.939 109.8 48.9 -58.2 -47.5 -8.4 32.2 0.8 33 33 A E H < S+ 0 0 119 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.813 120.7 37.2 -59.2 -34.8 -6.2 29.9 3.0 34 34 A E H < S+ 0 0 70 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.849 129.2 28.4 -90.5 -39.4 -9.1 29.1 5.2 35 35 A L H < S- 0 0 33 -4,-3.8 -3,-0.2 1,-0.3 -2,-0.2 0.479 96.4-138.1 -99.0 -3.8 -12.0 28.9 2.7 36 36 A G S < S+ 0 0 35 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.1 -0.393 72.3 14.7 70.2-156.2 -10.1 27.8 -0.4 37 37 A N > - 0 0 103 1,-0.2 3,-0.6 -2,-0.1 4,-0.1 -0.255 67.0-158.0 -55.4 125.1 -11.1 29.5 -3.7 38 38 A L G > S+ 0 0 11 1,-0.2 3,-1.5 2,-0.1 30,-0.5 0.505 70.9 90.1 -84.5 -7.1 -13.2 32.6 -2.9 39 39 A S G 3 S+ 0 0 53 1,-0.3 -1,-0.2 28,-0.2 29,-0.2 0.754 82.5 59.3 -69.5 -20.2 -15.0 33.0 -6.2 40 40 A D G < S+ 0 0 115 -3,-0.6 -1,-0.3 27,-0.1 2,-0.2 0.700 94.5 84.2 -74.1 -21.1 -17.8 30.8 -5.1 41 41 A Y < - 0 0 72 -3,-1.5 27,-1.4 -4,-0.1 28,-0.9 -0.504 65.1-138.9 -99.2 154.5 -18.8 32.9 -2.1 42 42 A R E -a 69 0A 79 26,-0.2 68,-2.6 -2,-0.2 69,-2.6 -0.937 25.9-150.6-106.6 128.0 -21.0 36.0 -1.4 43 43 A F E -ab 70 111A 0 26,-3.3 28,-2.0 -2,-0.5 2,-0.5 -0.845 16.6-170.4-110.6 131.9 -19.5 38.6 1.1 44 44 A L E -ab 71 112A 0 67,-2.8 69,-3.0 -2,-0.4 2,-0.5 -0.983 14.4-164.5-114.8 114.6 -21.2 41.0 3.5 45 45 A V E -ab 72 113A 0 26,-2.9 28,-2.3 -2,-0.5 2,-0.7 -0.903 5.1-156.0-106.3 125.6 -18.6 43.5 5.0 46 46 A L E -ab 73 114A 2 67,-2.6 69,-2.2 -2,-0.5 2,-0.5 -0.902 18.0-170.8-107.7 110.0 -19.8 45.4 8.0 47 47 A C E -ab 74 115A 0 26,-2.1 28,-2.7 -2,-0.7 29,-0.5 -0.886 13.4-164.2-114.7 125.6 -17.8 48.6 8.4 48 48 A G - 0 0 1 67,-2.3 69,-0.1 -2,-0.5 28,-0.1 -0.216 39.4-101.4 -77.9-174.7 -17.6 51.2 11.1 49 49 A G S S+ 0 0 13 67,-0.1 31,-2.6 4,-0.1 34,-0.2 0.524 93.0 78.6 -88.4 -10.2 -16.2 54.7 10.7 50 50 A G S > S- 0 0 31 66,-0.4 4,-1.5 29,-0.2 5,-0.1 0.013 103.6 -78.3 -88.7-159.6 -12.8 54.1 12.2 51 51 A N H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.759 127.1 62.8 -80.7 -23.7 -9.7 52.5 10.8 52 52 A N H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.956 106.1 46.1 -57.7 -49.0 -11.0 49.0 11.4 53 53 A G H > S+ 0 0 0 63,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.853 107.3 57.8 -61.8 -36.5 -13.8 49.9 9.0 54 54 A G H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.899 103.1 53.4 -56.5 -39.7 -11.3 51.4 6.6 55 55 A D H X S+ 0 0 14 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.936 107.4 52.7 -63.3 -43.6 -9.6 47.9 6.6 56 56 A G H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.868 103.3 55.5 -53.8 -44.0 -13.0 46.5 5.7 57 57 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.902 107.2 51.1 -62.2 -35.3 -13.3 48.9 2.8 58 58 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.904 110.6 48.4 -66.7 -42.0 -10.0 47.6 1.5 59 59 A V H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.957 112.5 49.0 -58.9 -50.3 -11.2 44.0 1.8 60 60 A A H X S+ 0 0 0 -4,-3.1 4,-1.1 1,-0.2 3,-0.3 0.913 111.2 48.2 -61.5 -42.7 -14.4 44.8 0.0 61 61 A R H >< S+ 0 0 23 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.925 109.8 52.6 -64.0 -42.4 -12.7 46.6 -2.8 62 62 A N H 3< S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.751 106.4 53.1 -64.4 -29.3 -10.2 43.8 -3.3 63 63 A L H >X S+ 0 0 4 -4,-1.7 3,-1.7 -3,-0.3 4,-1.7 0.730 82.3 116.0 -78.5 -24.7 -13.0 41.2 -3.6 64 64 A L T << S+ 0 0 46 -4,-1.1 4,-0.1 -3,-0.6 31,-0.1 -0.204 87.9 2.6 -48.7 126.3 -14.8 43.3 -6.3 65 65 A G T 34 S+ 0 0 84 2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.100 123.1 71.9 83.4 -21.1 -14.9 41.3 -9.6 66 66 A V T <4 S+ 0 0 96 -3,-1.7 -2,-0.2 -4,-0.1 2,-0.2 0.782 94.2 46.9 -97.6 -28.5 -13.3 38.2 -8.2 67 67 A V S < S- 0 0 18 -4,-1.7 -2,-0.2 -27,-0.1 -28,-0.2 -0.536 89.9-102.1-110.6 176.3 -16.1 36.8 -6.0 68 68 A K S S- 0 0 148 -27,-1.4 2,-0.3 -30,-0.5 -26,-0.2 0.907 93.6 -12.0 -69.7 -47.4 -19.8 36.2 -6.5 69 69 A D E -a 42 0A 73 -28,-0.9 -26,-3.3 2,-0.0 2,-0.4 -0.977 56.8-167.4-156.3 143.9 -21.2 39.2 -4.7 70 70 A V E +a 43 0A 12 -2,-0.3 26,-0.4 -28,-0.2 2,-0.3 -0.998 8.7 173.7-129.3 140.6 -20.0 41.9 -2.3 71 71 A L E -a 44 0A 18 -28,-2.0 -26,-2.9 -2,-0.4 2,-0.5 -0.984 16.8-150.9-145.4 136.0 -21.9 44.4 -0.2 72 72 A V E -ac 45 97A 0 24,-2.0 26,-2.5 -2,-0.3 2,-0.6 -0.913 1.9-164.6-102.5 125.5 -20.9 46.9 2.5 73 73 A V E -ac 46 98A 1 -28,-2.3 -26,-2.1 -2,-0.5 2,-0.6 -0.965 15.8-157.0 -99.9 111.1 -23.2 47.9 5.3 74 74 A F E +a 47 0A 2 24,-2.8 -26,-0.2 -2,-0.6 -28,-0.1 -0.871 16.5 176.6 -95.9 124.8 -21.6 51.0 6.6 75 75 A L + 0 0 21 -28,-2.7 -27,-0.2 -2,-0.6 -1,-0.1 0.254 44.0 92.6-116.8 2.4 -22.8 51.6 10.3 76 76 A G - 0 0 10 -29,-0.5 3,-0.1 1,-0.1 -2,-0.0 -0.307 62.7-141.3 -88.5 178.0 -20.8 54.7 11.4 77 77 A K S S+ 0 0 195 1,-0.4 2,-0.3 -2,-0.1 -1,-0.1 0.789 85.7 22.0 -98.4 -54.9 -21.8 58.3 11.4 78 78 A K S S- 0 0 174 0, 0.0 2,-0.4 0, 0.0 -1,-0.4 -0.717 72.3-137.4-114.0 158.2 -18.4 59.8 10.4 79 79 A K - 0 0 44 -2,-0.3 -29,-0.2 -3,-0.1 -30,-0.1 -0.946 16.3-125.8-114.4 136.8 -15.4 58.3 8.7 80 80 A T > - 0 0 45 -31,-2.6 4,-3.0 -2,-0.4 5,-0.2 -0.363 40.8 -98.0 -67.6 162.3 -11.7 58.8 9.6 81 81 A P H > S+ 0 0 112 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.873 124.3 43.3 -52.6 -42.9 -9.5 60.1 6.8 82 82 A D H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.892 113.8 50.9 -78.0 -34.3 -8.2 56.7 5.9 83 83 A C H > S+ 0 0 0 -34,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 112.0 49.9 -62.7 -38.6 -11.6 55.1 6.2 84 84 A E H X S+ 0 0 95 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.953 106.6 52.8 -67.5 -48.9 -12.9 57.8 3.9 85 85 A Y H X S+ 0 0 98 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.899 113.6 45.0 -47.9 -45.0 -10.2 57.4 1.3 86 86 A N H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.783 108.1 54.0 -81.5 -24.8 -11.0 53.8 1.1 87 87 A Y H X S+ 0 0 45 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.891 108.8 53.6 -64.9 -41.8 -14.8 54.2 1.0 88 88 A G H X S+ 0 0 28 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.867 109.7 45.6 -60.4 -41.7 -14.0 56.5 -1.9 89 89 A L H X S+ 0 0 44 -4,-1.6 4,-2.9 2,-0.2 6,-0.2 0.893 109.7 54.0 -67.2 -44.1 -12.0 53.8 -3.7 90 90 A Y H <>S+ 0 0 0 -4,-2.1 5,-2.7 1,-0.2 4,-0.3 0.937 111.0 47.0 -58.8 -42.7 -14.6 51.1 -3.1 91 91 A K H ><5S+ 0 0 97 -4,-2.1 3,-0.7 3,-0.2 -1,-0.2 0.852 111.9 49.7 -67.5 -35.5 -17.2 53.3 -4.6 92 92 A K H 3<5S+ 0 0 185 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.852 104.7 57.4 -73.1 -36.8 -15.0 54.2 -7.6 93 93 A F T 3<5S- 0 0 132 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.536 128.7-100.2 -71.2 -3.2 -14.2 50.5 -8.3 94 94 A G T < 5 + 0 0 61 -3,-0.7 -3,-0.2 -4,-0.3 -2,-0.1 0.593 67.5 157.6 97.9 15.2 -18.1 50.0 -8.5 95 95 A G < - 0 0 6 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.2 -0.421 37.8-126.1 -77.6 144.7 -18.8 48.6 -5.1 96 96 A K - 0 0 134 -26,-0.4 -24,-2.0 -2,-0.1 2,-0.4 -0.747 26.9-176.0 -93.3 134.1 -22.3 48.9 -3.5 97 97 A V E -c 72 0A 22 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.955 5.5-177.3-120.5 145.8 -22.8 50.4 -0.0 98 98 A V E -c 73 0A 40 -26,-2.5 -24,-2.8 -2,-0.4 3,-0.0 -0.949 19.4-154.9-132.8 162.6 -25.9 50.7 2.1 99 99 A E S S+ 0 0 133 -2,-0.3 2,-0.5 -26,-0.2 -26,-0.1 0.429 72.7 78.4-112.8 -5.6 -26.4 52.4 5.5 100 100 A Q - 0 0 171 2,-0.0 2,-0.6 0, 0.0 -25,-0.0 -0.915 67.6-144.7-108.9 130.6 -29.4 50.4 6.7 101 101 A F - 0 0 26 -2,-0.5 3,-0.1 -28,-0.1 -2,-0.0 -0.821 11.0-164.3 -88.2 118.0 -29.2 46.8 8.1 102 102 A E > - 0 0 122 -2,-0.6 3,-3.2 1,-0.1 4,-0.3 -0.934 21.5-134.9 -98.2 124.4 -32.1 44.6 7.3 103 103 A P G > S+ 0 0 75 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.861 106.3 55.6 -41.5 -45.7 -32.3 41.4 9.5 104 104 A S G > S+ 0 0 61 1,-0.2 3,-1.1 2,-0.1 4,-0.4 0.446 81.9 89.3 -69.2 -3.6 -33.0 39.3 6.4 105 105 A I G X S+ 0 0 29 -3,-3.2 3,-1.0 1,-0.3 -1,-0.2 0.798 74.0 67.5 -71.7 -24.2 -29.8 40.6 4.7 106 106 A L G X S+ 0 0 15 -3,-1.1 3,-1.3 -4,-0.3 -1,-0.3 0.777 87.4 75.7 -59.8 -25.8 -27.8 37.7 6.2 107 107 A N G < S+ 0 0 117 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.854 93.0 46.3 -49.0 -47.2 -30.0 35.5 3.9 108 108 A E G < S+ 0 0 107 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.2 0.196 105.1 68.7 -93.4 17.2 -28.2 36.4 0.6 109 109 A F < - 0 0 4 -3,-1.3 -66,-0.2 1,-0.1 3,-0.1 -0.915 51.2-163.2-136.5 156.3 -24.5 36.0 1.8 110 110 A D S S+ 0 0 46 -68,-2.6 32,-1.4 -2,-0.3 2,-0.4 0.690 79.5 43.3-107.1 -34.7 -22.2 33.3 2.9 111 111 A V E -bd 43 142A 0 -69,-2.6 -67,-2.8 30,-0.2 2,-0.5 -0.972 60.3-160.0-123.8 131.5 -19.4 35.2 4.6 112 112 A V E -bd 44 143A 1 30,-2.6 32,-2.4 -2,-0.4 2,-0.6 -0.956 8.6-158.8-102.3 119.2 -19.7 38.1 7.1 113 113 A V E -bd 45 144A 0 -69,-3.0 -67,-2.6 -2,-0.5 2,-1.0 -0.911 11.9-148.5 -96.1 121.8 -16.5 40.2 7.4 114 114 A D E +bd 46 145A 1 30,-3.8 32,-2.5 -2,-0.6 -67,-0.1 -0.810 39.7 146.9-101.9 98.5 -16.7 42.0 10.7 115 115 A A E +b 47 0A 0 -69,-2.2 -67,-2.3 -2,-1.0 -59,-0.2 -0.275 35.7 113.7-119.3 41.4 -14.9 45.4 10.4 116 116 A I S S- 0 0 5 1,-0.3 -66,-0.4 -69,-0.3 2,-0.3 0.981 84.8 -5.0 -80.7 -61.0 -17.2 47.3 12.8 117 117 A F + 0 0 39 31,-0.2 -1,-0.3 -65,-0.1 31,-0.3 -0.984 63.3 175.7-131.2 153.4 -14.8 48.0 15.7 118 118 A G > - 0 0 5 -2,-0.3 3,-0.7 -3,-0.1 33,-0.3 0.001 69.5 -36.3-120.1-132.3 -11.2 47.1 16.4 119 119 A T T 3 S+ 0 0 48 1,-0.2 35,-0.1 34,-0.1 36,-0.1 0.589 123.6 81.9 -73.8 -2.9 -8.8 48.0 19.1 120 120 A G T 3 + 0 0 68 33,-0.0 2,-0.6 34,-0.0 -1,-0.2 0.029 65.0 117.7 -91.1 28.6 -10.5 51.4 18.9 121 121 A L < + 0 0 14 -3,-0.7 2,-0.4 31,-0.2 33,-0.2 -0.872 36.3 178.5-104.6 114.7 -13.5 50.5 21.1 122 122 A R - 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0 0 34 0, 0.0 2,-0.3 0, 0.0 18,-0.0 -0.386 45.3-131.7 -55.4 143.2 -1.5 39.2 19.0 176 176 A K >> - 0 0 23 -29,-0.2 3,-2.3 1,-0.1 4,-0.8 -0.763 19.8-109.8-101.2 154.1 -3.3 41.5 21.3 177 177 A I H >> S+ 0 0 23 -2,-0.3 4,-2.1 1,-0.3 3,-1.8 0.878 116.6 63.7 -48.1 -44.5 -4.1 40.7 25.0 178 178 A G H 34 S+ 0 0 0 -24,-2.7 -1,-0.3 1,-0.3 10,-0.1 0.724 101.2 49.3 -50.5 -32.4 -7.8 40.4 24.1 179 179 A H H <4 S+ 0 0 6 -3,-2.3 -1,-0.3 -25,-0.3 -2,-0.2 0.645 113.9 48.0 -77.0 -19.2 -7.1 37.4 21.7 180 180 A I H << S+ 0 0 12 -3,-1.8 2,-0.3 -4,-0.8 -2,-0.2 0.788 104.3 59.6 -97.5 -34.6 -5.2 35.7 24.4 181 181 A L S X S- 0 0 0 -4,-2.1 4,-2.2 202,-0.0 5,-0.2 -0.671 90.4 -74.6 -97.6 150.9 -7.4 36.0 27.5 182 182 A F T 4 S+ 0 0 55 2,-0.3 -2,-0.1 -2,-0.3 -3,-0.0 -0.617 107.8 24.0 -85.9 154.0 -11.0 34.7 27.9 183 183 A P T >> S+ 0 0 60 0, 0.0 3,-1.7 0, 0.0 4,-1.3 -0.961 128.2 51.0 -72.1 -17.4 -13.7 35.3 27.0 184 184 A G H 3> S+ 0 0 0 -27,-2.2 4,-1.4 1,-0.3 -2,-0.3 0.784 103.6 57.6 -51.3 -39.6 -12.0 37.0 24.1 185 185 A R H 3< S+ 0 0 65 -4,-2.2 4,-0.5 1,-0.2 -1,-0.3 0.835 106.9 51.2 -62.2 -32.6 -9.8 34.1 23.1 186 186 A D H X4 S+ 0 0 97 -3,-1.7 3,-0.6 1,-0.2 -1,-0.2 0.871 110.1 47.5 -69.0 -36.7 -12.9 32.1 22.7 187 187 A L H 3< S+ 0 0 26 -4,-1.3 -21,-2.5 1,-0.2 -2,-0.2 0.696 99.3 69.7 -82.9 -13.5 -14.6 34.6 20.4 188 188 A T T 3< S- 0 0 2 -4,-1.4 -1,-0.2 1,-0.2 -43,-0.2 0.758 78.6-171.5 -73.5 -26.9 -11.4 35.1 18.2 189 189 A G < + 0 0 36 -3,-0.6 2,-0.3 -4,-0.5 -21,-0.2 -0.374 62.0 3.5 61.1-146.9 -11.7 31.6 16.7 190 190 A K E S-f 168 0A 110 -23,-2.0 -21,-2.8 1,-0.0 2,-0.5 -0.487 83.0-148.1 -71.1 124.0 -8.7 30.7 14.7 191 191 A L E -f 169 0A 45 -2,-0.3 2,-0.4 -23,-0.2 -21,-0.2 -0.868 16.7-175.4-105.8 123.4 -6.2 33.6 14.9 192 192 A K E -f 170 0A 11 -23,-2.6 -21,-3.0 -2,-0.5 2,-0.6 -0.948 13.8-150.6-110.7 138.0 -3.8 34.6 12.2 193 193 A V E -fG 171 495A 8 302,-2.4 302,-2.1 -2,-0.4 2,-0.4 -0.942 16.9-155.1-108.2 115.8 -1.2 37.4 12.8 194 194 A A E -fG 172 494A 1 -23,-3.2 -21,-3.2 -2,-0.6 2,-0.6 -0.734 15.0-135.1 -96.3 139.0 -0.3 39.3 9.7 195 195 A N + 0 0 54 298,-2.3 -23,-0.0 -2,-0.4 -21,-0.0 -0.802 27.9 174.0 -82.8 118.5 2.9 41.2 9.0 196 196 A I - 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