==== 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 02-MAY-11 3RSG . 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) . 21755.0 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 . 37 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 3 2 1 2 1 0 2 1 3 1 1 0 1 0 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 46 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -27.7 48.6 -0.9 19.2 2 2 A K H > + 0 0 142 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.927 360.0 45.6 -70.0 -40.6 52.0 0.8 19.0 3 3 A E H > S+ 0 0 146 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.805 111.0 55.8 -63.9 -31.8 53.5 -2.6 19.6 4 4 A I H > S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.921 108.4 44.7 -72.7 -44.7 51.1 -4.0 17.1 5 5 A D H X S+ 0 0 60 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.921 114.5 50.4 -55.5 -48.9 52.2 -1.6 14.3 6 6 A E H X S+ 0 0 109 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.895 112.3 46.2 -62.0 -42.4 55.9 -2.3 15.2 7 7 A L H X>S+ 0 0 73 -4,-2.3 4,-2.2 2,-0.2 5,-2.0 0.889 109.5 53.8 -68.0 -37.9 55.4 -6.1 15.1 8 8 A T H <>S+ 0 0 0 -4,-2.0 6,-2.2 3,-0.2 5,-0.6 0.903 119.5 35.1 -64.6 -41.1 53.5 -6.0 11.8 9 9 A I H X5S+ 0 0 65 -4,-2.2 4,-0.5 4,-0.2 -2,-0.2 0.976 125.8 35.7 -72.1 -59.4 56.3 -4.0 10.2 10 10 A K H <5S+ 0 0 163 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.759 132.3 20.8 -76.7 -28.6 59.4 -5.5 11.9 11 11 A E T <5S+ 0 0 133 -4,-2.2 -3,-0.2 -5,-0.3 -1,-0.1 0.801 129.1 39.7-109.6 -41.1 58.4 -9.2 12.2 12 12 A Y T 4> - 0 0 62 -2,-0.5 4,-1.5 1,-0.1 3,-0.8 -0.320 16.5-130.2 -54.3 133.7 56.3 -2.1 4.7 16 16 A S H 3> S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.840 108.4 59.3 -57.4 -33.9 55.4 0.9 6.9 17 17 A R H 3> S+ 0 0 104 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.840 101.4 53.6 -64.1 -36.2 54.4 2.8 3.7 18 18 A I H <> S+ 0 0 95 -3,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.901 108.6 49.1 -61.8 -44.6 51.8 0.1 2.8 19 19 A L H X S+ 0 0 11 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.910 112.5 48.9 -60.3 -42.9 50.2 0.5 6.3 20 20 A M H X S+ 0 0 10 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.905 110.9 49.4 -67.1 -41.4 50.1 4.2 5.7 21 21 A E H X S+ 0 0 53 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.956 111.9 48.7 -60.9 -49.9 48.5 3.8 2.3 22 22 A R H X S+ 0 0 61 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.856 110.2 52.9 -54.8 -40.5 45.9 1.5 3.7 23 23 A A H X S+ 0 0 2 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.961 111.5 45.2 -59.4 -51.4 45.2 4.0 6.5 24 24 A G H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.898 112.3 48.3 -66.1 -44.4 44.7 6.9 4.1 25 25 A I H X S+ 0 0 56 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.831 105.6 59.2 -64.0 -31.7 42.4 5.1 1.6 26 26 A S H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.3 -1,-0.2 0.893 104.3 52.0 -67.3 -31.3 40.3 3.7 4.5 27 27 A V H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.942 108.8 50.0 -67.1 -42.6 39.6 7.4 5.4 28 28 A V H X S+ 0 0 25 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.936 113.1 46.2 -59.8 -47.7 38.5 8.2 1.8 29 29 A L H X S+ 0 0 70 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.884 111.4 51.7 -64.5 -39.2 36.2 5.2 1.8 30 30 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.894 109.9 49.4 -61.9 -42.3 34.8 6.0 5.2 31 31 A M H X S+ 0 0 0 -4,-2.2 4,-3.6 2,-0.2 5,-0.3 0.862 109.7 51.5 -67.8 -36.3 34.1 9.6 4.0 32 32 A E H X S+ 0 0 88 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.894 108.9 50.1 -65.3 -43.7 32.3 8.4 0.9 33 33 A E H < S+ 0 0 124 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.835 119.6 39.2 -61.1 -35.0 30.1 6.1 2.9 34 34 A E H < S+ 0 0 72 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.870 129.1 27.3 -85.5 -41.2 29.3 9.1 5.2 35 35 A L H < S- 0 0 33 -4,-3.6 -3,-0.2 1,-0.4 2,-0.2 0.587 96.4-135.1-101.6 -7.0 29.0 11.9 2.6 36 36 A G S < S+ 0 0 36 -4,-2.4 -1,-0.4 -5,-0.3 -2,-0.1 -0.536 74.4 12.3 79.2-160.3 27.9 10.0 -0.5 37 37 A N - 0 0 111 -2,-0.2 3,-0.5 1,-0.1 4,-0.0 -0.222 66.1-158.6 -50.2 125.2 29.8 11.0 -3.8 38 38 A L > + 0 0 9 1,-0.2 3,-1.9 2,-0.1 30,-0.4 0.546 66.5 97.5 -85.1 -6.3 32.8 13.1 -2.9 39 39 A S T 3 S+ 0 0 50 1,-0.3 -1,-0.2 28,-0.2 29,-0.2 0.704 83.1 48.6 -68.7 -16.8 33.3 14.7 -6.3 40 40 A D T 3 S+ 0 0 107 -3,-0.5 -1,-0.3 27,-0.2 2,-0.3 0.383 93.1 93.3 -99.5 2.7 31.4 18.0 -5.3 41 41 A Y < - 0 0 73 -3,-1.9 27,-1.2 69,-0.0 28,-0.9 -0.670 65.7-138.7 -96.6 152.4 33.1 18.7 -2.0 42 42 A R E -a 69 0A 79 -2,-0.3 68,-2.3 26,-0.2 69,-2.2 -0.948 24.4-149.1-106.6 129.2 36.2 20.9 -1.4 43 43 A F E -ab 70 111A 0 26,-3.4 28,-2.0 -2,-0.5 2,-0.6 -0.842 15.6-166.3-110.1 130.8 38.7 19.4 1.1 44 44 A L E -ab 71 112A 0 67,-2.9 69,-3.3 -2,-0.4 2,-0.6 -0.964 14.0-164.4-109.0 116.3 41.0 21.1 3.6 45 45 A V E -ab 72 113A 0 26,-3.0 28,-3.0 -2,-0.6 2,-0.7 -0.904 4.1-158.6-109.2 119.0 43.5 18.6 4.9 46 46 A L E -ab 73 114A 2 67,-2.8 69,-2.4 -2,-0.6 2,-0.5 -0.898 16.4-170.0-101.2 112.6 45.4 19.7 8.1 47 47 A C E -ab 74 115A 0 26,-2.7 28,-2.8 -2,-0.7 29,-0.7 -0.916 11.7-158.6-116.1 124.9 48.7 17.7 8.4 48 48 A G - 0 0 0 67,-2.3 8,-0.1 -2,-0.5 69,-0.1 -0.317 38.3-102.3 -79.3 175.4 51.1 17.6 11.3 49 49 A G S S+ 0 0 13 4,-0.1 31,-2.0 -2,-0.1 34,-0.2 0.522 95.2 77.4 -78.1 -7.6 54.7 16.5 10.8 50 50 A G S > S- 0 0 31 66,-0.4 4,-1.8 29,-0.2 5,-0.1 -0.035 103.7 -79.7 -89.3-163.6 54.1 13.0 12.2 51 51 A N H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.751 127.1 61.9 -74.7 -20.7 52.6 9.8 10.9 52 52 A N H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.977 107.5 45.6 -60.9 -50.2 49.1 11.1 11.5 53 53 A G H > S+ 0 0 0 63,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.871 108.1 56.7 -59.3 -38.3 50.0 13.8 9.0 54 54 A G H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.906 105.4 50.8 -60.0 -43.8 51.5 11.2 6.7 55 55 A D H X S+ 0 0 18 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.941 108.7 54.0 -54.9 -42.4 48.1 9.5 6.7 56 56 A G H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.873 103.6 53.4 -62.4 -42.1 46.6 12.9 5.9 57 57 A F H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.854 107.2 52.6 -62.2 -33.7 48.9 13.3 2.9 58 58 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 -3,-0.2 -2,-0.2 0.934 109.9 49.2 -66.4 -45.1 47.7 9.9 1.6 59 59 A V H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.965 113.6 45.9 -54.5 -52.9 44.1 11.1 2.0 60 60 A A H >X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 3,-0.8 0.925 112.4 49.3 -60.5 -46.4 44.9 14.3 0.1 61 61 A R H >< S+ 0 0 24 -4,-3.0 3,-0.6 1,-0.2 -1,-0.2 0.916 109.3 52.8 -61.8 -42.1 46.8 12.6 -2.7 62 62 A N H 3< S+ 0 0 55 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.672 107.5 51.8 -67.7 -22.1 44.0 10.1 -3.2 63 63 A L H XX S+ 0 0 1 -4,-1.2 3,-2.1 -3,-0.8 4,-1.5 0.666 82.9 116.0 -82.5 -22.0 41.4 12.9 -3.5 64 64 A L T << S+ 0 0 41 -4,-1.2 4,-0.1 -3,-0.6 31,-0.1 -0.209 87.2 5.1 -49.7 129.6 43.4 14.7 -6.2 65 65 A G T 34 S+ 0 0 83 2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.241 122.9 72.1 82.4 -13.2 41.6 14.9 -9.5 66 66 A V T <4 S+ 0 0 93 -3,-2.1 2,-0.2 -28,-0.0 -2,-0.2 0.685 93.1 46.0-110.9 -21.1 38.5 13.3 -8.1 67 67 A V S < S- 0 0 17 -4,-1.5 -2,-0.2 -27,-0.1 -28,-0.2 -0.654 90.7-101.9-116.2 174.4 37.0 16.1 -5.9 68 68 A K S S- 0 0 126 -27,-1.2 2,-0.3 -30,-0.4 -26,-0.2 0.831 95.5 -11.3 -68.2 -37.5 36.4 19.7 -6.6 69 69 A D E -a 42 0A 71 -28,-0.9 -26,-3.4 2,-0.0 2,-0.4 -0.923 54.9-168.9-163.6 137.8 39.4 21.0 -4.6 70 70 A V E +a 43 0A 11 -2,-0.3 26,-0.4 -28,-0.2 2,-0.3 -0.996 9.9 175.0-123.4 140.4 42.0 19.8 -2.1 71 71 A L E -a 44 0A 13 -28,-2.0 -26,-3.0 -2,-0.4 2,-0.5 -0.993 16.0-151.3-137.7 137.6 44.4 21.9 -0.1 72 72 A V E -ac 45 97A 0 24,-2.2 26,-2.1 -2,-0.3 2,-0.6 -0.919 0.4-159.8-103.3 133.2 46.9 20.7 2.5 73 73 A V E -ac 46 98A 0 -28,-3.0 -26,-2.7 -2,-0.5 2,-0.7 -0.976 13.4-156.1-103.7 111.5 47.9 23.0 5.3 74 74 A F E +a 47 0A 1 24,-2.9 -26,-0.2 -2,-0.6 -28,-0.1 -0.850 19.0 172.8 -91.4 118.6 51.1 21.6 6.6 75 75 A L + 0 0 6 -28,-2.8 -27,-0.2 -2,-0.7 -1,-0.1 0.440 44.3 94.0-108.6 -6.3 51.5 22.7 10.2 76 76 A G - 0 0 2 -29,-0.7 3,-0.1 1,-0.1 -2,-0.0 -0.180 64.0-141.8 -80.5 175.9 54.5 20.7 11.3 77 77 A K S S+ 0 0 166 1,-0.4 2,-0.2 -2,-0.0 -1,-0.1 0.785 83.6 15.1 -96.3 -69.0 58.2 21.7 11.3 78 78 A K S S- 0 0 161 0, 0.0 2,-0.4 0, 0.0 -1,-0.4 -0.539 73.9-132.8-105.5 168.6 59.8 18.5 10.3 79 79 A K - 0 0 37 -2,-0.2 -29,-0.2 -3,-0.1 -30,-0.1 -0.959 13.9-123.8-123.9 136.6 58.4 15.3 8.8 80 80 A T > - 0 0 33 -31,-2.0 4,-3.3 -2,-0.4 5,-0.3 -0.294 43.4 -97.2 -64.6 162.8 58.9 11.6 9.6 81 81 A P H > S+ 0 0 109 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.896 125.5 43.3 -51.8 -45.6 60.2 9.4 6.8 82 82 A D H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.893 114.5 49.8 -75.1 -34.0 56.7 8.2 5.8 83 83 A C H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.950 113.4 46.8 -63.2 -45.8 55.1 11.7 6.1 84 84 A E H X S+ 0 0 93 -4,-3.3 4,-2.8 1,-0.2 -2,-0.2 0.898 111.5 51.6 -60.4 -43.6 57.9 13.1 4.0 85 85 A Y H X S+ 0 0 98 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.915 114.4 42.9 -60.9 -43.9 57.5 10.3 1.4 86 86 A N H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.845 110.9 53.3 -78.9 -30.6 53.7 10.9 1.2 87 87 A Y H X S+ 0 0 45 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.926 108.6 53.8 -56.0 -51.4 54.1 14.7 1.1 88 88 A G H X S+ 0 0 28 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.893 110.2 45.3 -51.1 -42.9 56.5 14.0 -1.8 89 89 A L H X S+ 0 0 44 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.930 109.5 54.2 -69.0 -44.9 53.8 11.9 -3.6 90 90 A Y H X>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 4,-0.6 0.961 112.7 44.8 -53.1 -51.0 51.1 14.5 -3.0 91 91 A K H ><5S+ 0 0 98 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.878 110.9 50.6 -67.4 -37.5 53.3 17.1 -4.5 92 92 A K H 3<5S+ 0 0 192 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.876 106.3 59.1 -67.0 -30.5 54.4 14.9 -7.6 93 93 A F H 3<5S- 0 0 127 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.651 130.1 -96.6 -71.3 -10.6 50.6 14.3 -8.1 94 94 A G T <<5 + 0 0 62 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.577 69.5 160.6 104.2 20.9 50.0 18.1 -8.5 95 95 A G < - 0 0 11 -5,-2.1 2,-0.5 -6,-0.2 -1,-0.2 -0.434 35.2-133.8 -78.5 148.0 48.9 18.8 -4.9 96 96 A K - 0 0 128 -26,-0.4 -24,-2.2 -2,-0.1 2,-0.4 -0.899 24.4-178.2-101.9 125.7 49.0 22.3 -3.3 97 97 A V E -c 72 0A 21 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.928 4.2-175.2-113.1 145.2 50.5 22.6 0.2 98 98 A V E -c 73 0A 42 -26,-2.1 -24,-2.9 -2,-0.4 3,-0.0 -0.959 17.9-156.9-131.4 157.4 50.7 25.8 2.2 99 99 A E S S+ 0 0 102 -2,-0.3 2,-0.3 -26,-0.2 -26,-0.1 0.257 77.0 53.1-114.0 5.8 52.4 26.2 5.6 100 100 A Q - 0 0 160 2,-0.0 2,-0.3 0, 0.0 -26,-0.1 -0.950 63.9-166.4-133.1 158.8 50.5 29.2 6.7 101 101 A F - 0 0 24 -2,-0.3 3,-0.0 -28,-0.1 -28,-0.0 -0.983 14.2-141.1-143.6 156.1 46.8 29.9 7.1 102 102 A E > - 0 0 128 -2,-0.3 3,-3.4 1,-0.1 4,-0.3 -0.884 35.4-112.2-109.8 146.5 44.4 32.9 7.6 103 103 A P G > S+ 0 0 74 0, 0.0 3,-0.8 0, 0.0 4,-0.1 0.845 119.0 61.5 -44.5 -35.3 41.3 32.5 9.8 104 104 A S G > S+ 0 0 52 1,-0.2 3,-1.8 2,-0.1 4,-0.4 0.506 74.2 94.2 -69.6 -8.1 39.4 32.9 6.5 105 105 A I G X S+ 0 0 23 -3,-3.4 3,-0.6 1,-0.3 -1,-0.2 0.852 75.6 63.7 -60.2 -32.8 40.9 29.8 4.9 106 106 A L G X S+ 0 0 11 -3,-0.8 3,-1.6 -4,-0.3 -1,-0.3 0.764 86.0 80.9 -58.0 -25.6 37.9 27.7 6.1 107 107 A N G < S+ 0 0 108 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.916 91.4 43.5 -44.7 -58.8 35.7 29.9 3.9 108 108 A E G < S+ 0 0 92 -3,-0.6 2,-0.3 -4,-0.4 -1,-0.3 0.138 105.3 76.4 -85.0 21.9 36.5 28.1 0.6 109 109 A F < - 0 0 4 -3,-1.6 -66,-0.2 1,-0.1 3,-0.1 -0.948 49.3-168.6-135.0 154.6 36.2 24.5 1.9 110 110 A D S S+ 0 0 43 -68,-2.3 32,-1.6 -2,-0.3 2,-0.4 0.689 77.6 40.4-107.2 -35.6 33.4 22.1 2.9 111 111 A V E -bd 43 142A 0 -69,-2.2 -67,-2.9 30,-0.2 2,-0.5 -0.992 62.2-156.9-125.1 133.1 35.2 19.3 4.6 112 112 A V E -bd 44 143A 0 30,-2.8 32,-2.8 -2,-0.4 2,-0.6 -0.950 6.4-158.0-104.8 122.4 38.2 19.5 7.0 113 113 A V E -bd 45 144A 0 -69,-3.3 -67,-2.8 -2,-0.5 2,-0.9 -0.933 12.7-149.3 -99.8 119.4 40.3 16.4 7.3 114 114 A D E +bd 46 145A 2 30,-3.1 32,-2.9 -2,-0.6 34,-0.2 -0.799 39.5 146.2-100.7 97.6 42.1 16.5 10.7 115 115 A A E +b 47 0A 0 -69,-2.4 -67,-2.3 -2,-0.9 -59,-0.2 -0.184 36.9 110.3-119.1 35.5 45.5 14.8 10.4 116 116 A I S S+ 0 0 3 -69,-0.3 -66,-0.4 1,-0.3 -63,-0.4 0.990 85.8 0.5 -78.1 -63.6 47.3 17.1 12.8 117 117 A F + 0 0 43 31,-0.2 -1,-0.3 -65,-0.1 31,-0.2 -0.993 61.7 163.2-130.2 140.1 47.9 14.7 15.8 118 118 A G S > S- 0 0 4 -2,-0.4 3,-1.5 -3,-0.2 33,-0.2 0.167 74.7 -27.2-115.5-124.8 47.0 11.1 16.4 119 119 A T T 3 S+ 0 0 62 1,-0.3 36,-0.1 34,-0.1 35,-0.1 0.581 127.1 73.1 -72.6 -7.6 48.4 8.7 19.0 120 120 A G T 3 + 0 0 54 2,-0.0 -1,-0.3 33,-0.0 33,-0.1 0.432 65.2 129.9 -87.8 0.4 51.7 10.8 19.0 121 121 A L < + 0 0 14 -3,-1.5 2,-0.3 31,-0.2 33,-0.1 -0.329 33.0 178.6 -55.1 129.1 50.1 13.6 20.9 122 122 A R - 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0 0 35 0, 0.0 2,-0.3 0, 0.0 18,-0.0 -0.439 43.9-128.5 -61.8 148.8 39.3 1.6 18.8 176 176 A K >> - 0 0 19 -29,-0.2 3,-1.9 1,-0.1 4,-0.6 -0.689 19.9-110.5 -99.6 158.5 41.5 3.5 21.3 177 177 A I H >> S+ 0 0 23 -23,-0.4 4,-2.1 1,-0.3 3,-1.3 0.848 115.9 63.7 -55.5 -32.5 40.6 4.1 24.9 178 178 A G H 34 S+ 0 0 1 -24,-1.9 -1,-0.3 1,-0.3 10,-0.1 0.560 98.6 51.7 -73.4 -12.4 40.2 7.8 24.0 179 179 A H H <4 S+ 0 0 8 -3,-1.9 -1,-0.3 -25,-0.2 -2,-0.2 0.567 114.9 45.5 -85.4 -15.6 37.3 7.2 21.7 180 180 A I H << S+ 0 0 11 -3,-1.3 2,-0.3 -4,-0.6 -2,-0.2 0.792 105.2 60.3-100.7 -37.6 35.6 5.2 24.5 181 181 A L S X S- 0 0 0 -4,-2.1 4,-2.0 4,-0.0 5,-0.1 -0.688 92.4 -77.9 -96.4 149.1 36.0 7.4 27.5 182 182 A F T 4 S+ 0 0 52 -2,-0.3 -3,-0.1 2,-0.3 -2,-0.1 -0.636 107.4 25.1 -88.5 152.6 34.6 10.9 27.8 183 183 A P T >> S+ 0 0 57 0, 0.0 4,-1.7 0, 0.0 3,-1.3 -0.974 127.2 52.0 -75.0 -12.4 35.3 13.6 26.9 184 184 A G H 3> S+ 0 0 0 -27,-2.0 4,-1.4 1,-0.3 -2,-0.3 0.854 104.4 57.8 -54.2 -38.7 37.1 11.9 24.0 185 185 A R H 3X S+ 0 0 65 -4,-2.0 4,-0.6 1,-0.2 -1,-0.3 0.881 106.7 49.7 -61.1 -36.2 34.1 9.8 23.2 186 186 A D H X4 S+ 0 0 95 -3,-1.3 3,-0.8 1,-0.2 -1,-0.2 0.918 110.7 47.6 -69.3 -40.7 32.0 12.9 22.6 187 187 A L H 3< S+ 0 0 25 -4,-1.7 -21,-2.9 1,-0.2 -1,-0.2 0.671 99.5 69.6 -74.5 -16.8 34.6 14.6 20.3 188 188 A T H 3< S- 0 0 3 -4,-1.4 -1,-0.2 -5,-0.2 -43,-0.2 0.790 77.8-173.2 -70.7 -28.7 35.0 11.4 18.2 189 189 A G << + 0 0 39 -3,-0.8 2,-0.4 -4,-0.6 -21,-0.2 -0.455 61.5 5.1 60.7-140.5 31.6 11.7 16.7 190 190 A K E S-f 168 0A 109 -23,-2.4 -21,-2.8 -2,-0.1 2,-0.6 -0.586 81.5-147.1 -76.1 127.5 30.8 8.6 14.6 191 191 A L E -f 169 0A 41 -2,-0.4 2,-0.4 -23,-0.2 -21,-0.2 -0.864 16.2-175.1-102.9 123.3 33.6 6.1 14.9 192 192 A K E -f 170 0A 16 -23,-2.6 -21,-2.8 -2,-0.6 2,-0.6 -0.963 13.6-151.4-110.9 132.6 34.7 3.8 12.1 193 193 A V E -fG 171 495A 8 302,-2.7 302,-2.5 -2,-0.4 2,-0.4 -0.924 17.4-156.9-103.6 114.4 37.4 1.1 12.8 194 194 A A E -fG 172 494A 0 -23,-3.2 -21,-3.4 -2,-0.6 2,-0.6 -0.771 15.2-133.5 -98.1 137.1 39.3 0.3 9.7 195 195 A N + 0 0 50 298,-2.7 -23,-0.1 -2,-0.4 -21,-0.0 -0.757 26.5 175.4 -81.1 115.7 41.3 -2.9 8.9 196 196 A I - 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0 0 15 -3,-0.9 2,-0.7 -4,-0.4 -3,-0.1 -0.253 49.0-149.7 -64.1 132.4 32.3 -1.6 53.4 350 350 A D >> - 0 0 77 -25,-0.1 3,-1.3 1,-0.1 4,-0.7 -0.922 12.2-150.9 -92.3 112.0 35.5 -2.6 55.2 351 351 A T H 3> S+ 0 0 41 -2,-0.7 4,-1.2 1,-0.3 3,-0.2 0.713 90.1 71.8 -65.6 -17.2 37.6 -3.8 52.2 352 352 A S H 3> S+ 0 0 66 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.877 91.0 60.2 -60.1 -38.9 39.5 -6.2 54.5 353 353 A V H <> S+ 0 0 7 -3,-1.3 4,-1.0 1,-0.2 -1,-0.2 0.891 100.5 54.5 -53.2 -41.6 36.3 -8.2 54.5 354 354 A L H < S+ 0 0 6 -4,-0.7 3,-0.3 1,-0.2 -1,-0.2 0.869 105.9 51.3 -62.0 -40.1 36.6 -8.6 50.7 355 355 A K H < S+ 0 0 95 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.898 111.2 47.0 -65.0 -40.2 40.1 -10.0 50.8 356 356 A E H < S+ 0 0 94 -4,-1.7 -1,-0.2 2,-0.0 2,-0.2 0.644 87.7 104.2 -82.3 -10.9 39.2 -12.7 53.4 357 357 A R < - 0 0 20 -4,-1.0 -24,-0.1 -3,-0.3 -21,-0.1 -0.503 51.6-166.0 -68.8 132.2 36.0 -13.8 51.5 358 358 A K S S+ 0 0 199 -2,-0.2 -1,-0.2 2,-0.1 -22,-0.1 0.803 72.1 76.2 -82.2 -36.4 36.5 -17.1 49.8 359 359 A S S S- 0 0 28 -24,-0.3 -22,-0.1 1,-0.1 -2,-0.0 -0.362 92.5-100.1 -70.0 154.3 33.2 -16.6 47.8 360 360 A P - 0 0 54 0, 0.0 -21,-1.6 0, 0.0 2,-0.3 -0.189 34.6-163.9 -75.4 168.6 33.2 -14.1 44.8 361 361 A A E -n 339 0C 5 35,-0.3 37,-2.0 -23,-0.2 2,-0.4 -0.994 15.3-156.9-148.8 146.0 31.9 -10.5 44.8 362 362 A V E -no 340 398C 0 -23,-2.3 -21,-3.2 -2,-0.3 2,-0.4 -0.998 15.4-158.8-117.7 130.6 30.9 -7.9 42.3 363 363 A L E -no 341 399C 0 35,-2.6 37,-2.7 -2,-0.4 -21,-0.2 -0.907 4.1-167.3-105.8 137.1 31.0 -4.2 43.5 364 364 A T + 0 0 0 -23,-2.1 -21,-0.4 -2,-0.4 37,-0.1 -0.424 20.3 161.5-124.4 60.5 29.0 -1.6 41.7 365 365 A P - 0 0 0 0, 0.0 37,-2.4 0, 0.0 -2,-0.0 -0.459 33.2-140.0 -75.7 144.5 30.0 1.9 42.7 366 366 A H > - 0 0 79 35,-0.2 4,-2.5 -2,-0.1 3,-0.5 -0.483 49.4 -90.0 -79.2 169.0 29.4 5.2 40.8 367 367 A P H > S+ 0 0 14 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.817 127.8 56.5 -58.2 -31.2 32.4 7.4 41.0 368 368 A G H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.904 111.5 42.9 -62.8 -41.8 31.3 9.1 44.2 369 369 A E H > S+ 0 0 16 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.882 114.4 50.1 -71.8 -39.9 31.1 5.8 46.0 370 370 A M H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.897 109.9 52.0 -62.2 -40.7 34.4 4.6 44.4 371 371 A A H X>S+ 0 0 5 -4,-2.4 5,-2.1 -5,-0.2 4,-1.0 0.962 112.9 43.4 -60.6 -52.3 36.1 7.8 45.5 372 372 A R H <5S+ 0 0 139 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.916 112.2 55.9 -59.2 -41.1 34.8 7.4 49.2 373 373 A L H <5S+ 0 0 26 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.898 119.4 28.5 -62.8 -42.8 35.8 3.6 49.0 374 374 A V H <5S- 0 0 33 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.396 109.4-116.5-102.5 7.1 39.5 4.2 48.1 375 375 A K T <5S+ 0 0 190 -4,-1.0 2,-0.2 -3,-0.5 -3,-0.2 0.924 74.5 117.4 62.4 46.2 39.8 7.7 49.8 376 376 A K < - 0 0 105 -5,-2.1 -1,-0.2 -6,-0.2 2,-0.1 -0.761 69.1 -85.9-128.1-179.7 40.4 9.7 46.6 377 377 A T > - 0 0 80 -2,-0.2 4,-1.2 1,-0.1 3,-0.2 -0.490 33.4-116.2 -86.3 158.2 38.7 12.4 44.8 378 378 A V H >> S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.896 117.7 55.2 -55.0 -45.1 35.9 11.8 42.2 379 379 A G H 34 S+ 0 0 56 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.821 105.2 51.6 -59.8 -35.1 38.2 13.4 39.6 380 380 A D H 34 S+ 0 0 93 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.757 119.1 35.0 -71.2 -30.0 41.0 10.9 40.4 381 381 A V H X< S+ 0 0 2 -4,-1.2 3,-2.3 -3,-0.5 -2,-0.2 0.735 87.0 107.6 -99.4 -24.9 38.8 7.8 40.0 382 382 A K T 3< S- 0 0 90 -4,-2.4 3,-0.1 1,-0.3 21,-0.1 -0.322 103.7 -9.3 -62.4 128.0 36.4 8.8 37.3 383 383 A Y T 3 S+ 0 0 21 1,-0.2 2,-1.6 22,-0.1 -1,-0.3 0.655 93.9 141.9 57.5 19.0 37.3 6.9 34.1 384 384 A N <> + 0 0 55 -3,-2.3 4,-2.3 1,-0.2 3,-0.2 -0.608 19.1 169.3 -92.0 80.7 40.4 5.7 35.8 385 385 A Y H > S+ 0 0 18 -2,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.848 73.2 57.2 -66.0 -33.1 40.4 2.1 34.5 386 386 A E H > S+ 0 0 114 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 108.7 47.3 -63.1 -39.5 44.0 1.3 35.7 387 387 A L H > S+ 0 0 19 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.913 111.5 51.0 -64.0 -43.1 42.8 2.2 39.3 388 388 A A H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.935 110.2 49.6 -59.0 -45.6 39.7 0.0 38.8 389 389 A E H X S+ 0 0 22 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.888 111.2 49.1 -59.7 -44.0 41.9 -2.9 37.6 390 390 A E H X S+ 0 0 115 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.924 111.6 48.7 -62.4 -45.4 44.3 -2.6 40.6 391 391 A F H X S+ 0 0 16 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.913 112.7 48.0 -60.9 -43.2 41.4 -2.5 43.0 392 392 A A H X>S+ 0 0 0 -4,-2.4 5,-1.8 -5,-0.2 4,-0.6 0.938 114.8 45.8 -64.4 -47.0 39.8 -5.6 41.4 393 393 A K H ><5S+ 0 0 125 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.951 114.3 46.8 -62.2 -50.8 43.0 -7.5 41.4 394 394 A E H 3<5S+ 0 0 122 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.741 120.2 38.5 -63.9 -26.7 44.0 -6.6 45.0 395 395 A N H 3<5S- 0 0 4 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.288 104.5-123.9-110.0 7.2 40.5 -7.4 46.4 396 396 A D T <<5S+ 0 0 119 -3,-1.0 -35,-0.3 -4,-0.6 2,-0.2 0.905 70.9 111.0 50.4 52.1 39.8 -10.5 44.3 397 397 A C S - 0 0 43 -2,-0.2 3,-1.7 48,-0.1 4,-0.1 -0.893 43.9 -72.8-158.0-172.7 21.7 7.5 27.5 422 422 A T G > S+ 0 0 79 1,-0.3 3,-1.4 -2,-0.3 -18,-0.0 0.547 111.6 82.2 -74.7 -5.2 21.0 10.3 30.0 423 423 A G G 3 S+ 0 0 4 1,-0.3 -1,-0.3 50,-0.0 6,-0.1 0.731 87.4 59.2 -65.9 -19.9 17.6 8.7 31.0 424 424 A L G < S+ 0 0 31 -3,-1.7 2,-2.0 1,-0.2 -1,-0.3 0.558 80.5 91.0 -80.5 -10.4 19.7 6.5 33.3 425 425 A S S < S+ 0 0 100 -3,-1.4 2,-0.3 -4,-0.1 -1,-0.2 -0.410 73.7 87.6 -79.1 61.2 21.0 9.7 35.0 426 426 A K S > S- 0 0 77 -2,-2.0 3,-1.7 -3,-0.0 4,-0.3 -0.972 91.4 -79.8-164.9 138.3 18.2 9.5 37.5 427 427 A G T 3 S+ 0 0 78 -2,-0.3 47,-0.4 1,-0.2 -2,-0.1 -0.102 109.0 32.0 -49.6 132.0 17.7 7.8 40.9 428 428 A G T 3> S+ 0 0 13 45,-0.1 4,-1.8 46,-0.1 -1,-0.2 0.045 85.3 97.5 115.0 -24.9 16.8 4.1 40.7 429 429 A S H <> S+ 0 0 18 -3,-1.7 4,-1.8 1,-0.3 -2,-0.1 0.882 85.4 51.4 -70.0 -34.6 18.6 3.1 37.5 430 430 A G H > S+ 0 0 17 -4,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.829 104.4 56.5 -63.7 -39.2 21.5 1.7 39.6 431 431 A D H > S+ 0 0 31 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.906 106.8 50.7 -64.2 -39.0 19.2 -0.3 41.8 432 432 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.930 107.3 52.6 -61.4 -47.2 17.8 -2.1 38.6 433 433 A L H X S+ 0 0 4 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.905 104.2 57.4 -59.6 -42.1 21.3 -2.9 37.4 434 434 A T H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.923 108.2 46.3 -52.8 -47.8 22.2 -4.5 40.8 435 435 A G H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.883 109.7 55.0 -60.5 -42.5 19.3 -6.9 40.4 436 436 A M H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.935 109.1 45.8 -58.2 -47.7 20.2 -7.7 36.8 437 437 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.939 114.0 48.5 -60.0 -47.6 23.8 -8.7 37.7 438 438 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.900 110.9 53.7 -60.4 -40.8 22.6 -10.9 40.7 439 439 A G H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.899 108.4 46.2 -61.9 -44.8 20.1 -12.4 38.4 440 440 A F H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 4,-0.3 0.876 111.1 52.8 -73.1 -31.5 22.6 -13.4 35.8 441 441 A I H ><5S+ 0 0 18 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.950 107.0 53.2 -64.7 -42.3 24.9 -14.8 38.4 442 442 A A H 3<5S+ 0 0 12 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.839 103.6 56.4 -58.7 -34.8 22.1 -16.9 39.7 443 443 A Q T 3<5S- 0 0 24 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.472 131.3 -91.9 -80.8 -1.6 21.5 -18.3 36.2 444 444 A G T < 5S+ 0 0 63 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.499 79.1 137.3 111.6 6.2 25.1 -19.5 36.1 445 445 A L < - 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