==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 20-NOV-12 4I17 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 224 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 86.2 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 . 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 . 7 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.7 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 0 0 0 0 0 2 0 3 3 0 0 0 0 0 1 0 0 0 0 0 1 0 1 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 . 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 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 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 21 A T 0 0 70 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.6 2.1 13.7 11.1 2 22 A T + 0 0 128 5,-0.0 5,-0.0 4,-0.0 3,-0.0 0.726 360.0 93.0-107.1 -40.9 2.0 11.5 7.9 3 23 A D > - 0 0 82 1,-0.1 4,-2.0 2,-0.1 3,-0.4 -0.468 68.7-145.7 -60.5 118.0 0.5 13.9 5.3 4 24 A P H > S+ 0 0 41 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.886 99.5 53.6 -57.4 -40.7 3.5 15.7 3.5 5 25 A N H > S+ 0 0 90 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.869 108.3 50.9 -61.2 -36.0 1.5 19.0 3.1 6 26 A Q H > S+ 0 0 89 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.898 108.8 51.8 -65.6 -41.8 0.9 18.8 6.9 7 27 A L H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.918 109.9 48.3 -62.4 -43.0 4.7 18.3 7.5 8 28 A K H X S+ 0 0 56 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.913 112.5 48.5 -63.5 -40.9 5.5 21.3 5.3 9 29 A N H X S+ 0 0 74 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.894 111.9 49.7 -64.5 -41.0 2.9 23.5 7.2 10 30 A E H X S+ 0 0 53 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.869 111.4 49.2 -62.8 -42.0 4.3 22.3 10.6 11 31 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.905 110.5 50.4 -63.6 -42.5 7.8 23.2 9.4 12 32 A N H X S+ 0 0 48 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.905 110.5 49.9 -60.0 -44.6 6.6 26.7 8.2 13 33 A D H X S+ 0 0 109 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.916 112.2 47.6 -61.0 -43.8 5.0 27.2 11.7 14 34 A A H ><>S+ 0 0 12 -4,-2.2 5,-2.8 1,-0.2 3,-1.0 0.923 111.3 50.1 -63.5 -44.5 8.2 26.2 13.4 15 35 A L H ><5S+ 0 0 46 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.912 105.7 56.9 -61.9 -41.0 10.3 28.5 11.2 16 36 A N H 3<5S+ 0 0 137 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.726 109.3 46.6 -60.0 -25.3 8.0 31.4 11.9 17 37 A A T <<5S- 0 0 77 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.259 118.7-112.2 -99.8 7.9 8.7 30.8 15.7 18 38 A K T < 5S+ 0 0 152 -3,-2.0 2,-1.2 1,-0.2 -3,-0.2 0.754 71.7 141.3 65.5 25.5 12.5 30.6 15.1 19 39 A N >< + 0 0 76 -5,-2.8 4,-2.1 1,-0.2 -1,-0.2 -0.716 19.6 170.6 -97.0 85.9 12.5 26.9 16.1 20 40 A Y H > S+ 0 0 75 -2,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.806 70.2 59.1 -64.5 -32.1 15.0 25.8 13.4 21 41 A A H > S+ 0 0 49 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 110.7 40.9 -66.8 -43.9 15.4 22.2 14.9 22 42 A V H > S+ 0 0 49 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.900 114.4 52.8 -67.8 -42.3 11.7 21.4 14.4 23 43 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.941 110.6 47.9 -60.5 -41.6 11.6 23.2 11.0 24 44 A F H X S+ 0 0 21 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.940 112.1 49.7 -62.1 -48.4 14.6 21.0 9.9 25 45 A E H X S+ 0 0 104 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.913 117.3 40.2 -53.4 -50.6 12.9 17.8 11.3 26 46 A K H X S+ 0 0 35 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.922 118.1 45.7 -71.1 -44.6 9.6 18.6 9.5 27 47 A Y H X S+ 0 0 0 -4,-3.0 4,-2.8 -5,-0.2 5,-0.2 0.875 111.0 52.3 -67.2 -42.9 11.1 19.9 6.2 28 48 A S H X S+ 0 0 22 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.2 0.927 113.0 45.4 -62.4 -38.3 13.6 17.0 5.9 29 49 A E H X S+ 0 0 73 -4,-1.6 4,-2.1 -5,-0.3 -2,-0.2 0.920 113.0 50.7 -68.4 -42.8 10.8 14.5 6.3 30 50 A Y H X S+ 0 0 26 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.929 112.1 46.5 -59.3 -48.3 8.5 16.4 3.8 31 51 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 3,-0.6 0.898 110.8 52.6 -64.2 -40.4 11.3 16.5 1.2 32 52 A K H ><5S+ 0 0 147 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.912 112.5 45.5 -57.9 -43.1 12.1 12.8 1.7 33 53 A L H 3<5S+ 0 0 85 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.584 114.6 47.3 -80.4 -10.1 8.4 11.9 1.1 34 54 A T T X<5S- 0 0 39 -4,-0.9 3,-0.9 -3,-0.6 -1,-0.2 -0.053 116.1-104.1-121.7 26.3 7.9 14.2 -2.0 35 55 A N T < 5 - 0 0 133 -3,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.722 63.3 -76.8 56.6 31.4 11.1 13.1 -3.9 36 56 A N T 3 + 0 0 28 1,-0.2 4,-2.5 -4,-0.1 -1,-0.1 -0.657 51.0 179.1 -85.5 94.5 10.2 21.7 -3.6 39 59 A S H > S+ 0 0 23 -2,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.777 78.5 59.0 -66.0 -31.3 13.3 23.8 -4.0 40 60 A V H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.959 112.3 40.7 -62.0 -47.3 11.9 26.7 -1.9 41 61 A T H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.890 112.0 56.6 -68.3 -39.1 11.6 24.3 1.1 42 62 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.914 108.0 47.5 -58.4 -43.4 14.9 22.7 0.3 43 63 A Y H X S+ 0 0 45 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.948 114.1 46.6 -61.5 -49.0 16.7 26.1 0.5 44 64 A N H X S+ 0 0 48 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.890 111.2 52.8 -60.0 -39.0 14.8 26.9 3.9 45 65 A C H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.904 106.9 52.5 -64.2 -40.9 15.8 23.3 5.1 46 66 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.903 110.3 47.4 -60.6 -44.5 19.5 24.0 4.3 47 67 A V H X S+ 0 0 45 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.925 113.1 48.8 -62.6 -47.8 19.5 27.3 6.3 48 68 A C H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.913 111.2 50.6 -57.4 -47.1 17.7 25.5 9.3 49 69 A A H <>S+ 0 0 0 -4,-2.8 5,-3.1 1,-0.2 3,-0.2 0.902 111.4 47.3 -58.2 -42.1 20.3 22.6 9.1 50 70 A D H ><5S+ 0 0 34 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.923 109.0 55.5 -68.1 -37.6 23.2 25.1 9.1 51 71 A N H 3<5S+ 0 0 65 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.768 111.5 43.1 -66.1 -27.3 21.6 27.0 12.1 52 72 A I T 3<5S- 0 0 48 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.276 121.2-107.7-104.8 15.1 21.4 23.8 14.2 53 73 A K T < 5S+ 0 0 149 -3,-1.5 2,-1.3 1,-0.2 -3,-0.2 0.675 76.6 135.1 70.2 25.9 25.0 22.7 13.1 54 74 A K >< + 0 0 86 -5,-3.1 4,-2.3 1,-0.2 -1,-0.2 -0.672 26.2 165.6 -95.4 69.9 24.0 19.8 10.8 55 75 A Y H > + 0 0 48 -2,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.862 66.7 49.0 -62.5 -40.1 26.5 21.1 8.2 56 76 A K H > S+ 0 0 98 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 113.2 48.8 -67.8 -38.1 26.7 18.1 5.9 57 77 A E H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.907 108.2 55.2 -63.2 -42.6 22.9 18.0 5.8 58 78 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.949 107.0 49.5 -55.8 -49.2 22.8 21.8 5.0 59 79 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.902 109.5 53.0 -59.0 -39.8 25.1 21.2 2.0 60 80 A D H X S+ 0 0 73 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.893 111.7 44.5 -63.1 -44.6 22.8 18.4 0.7 61 81 A Y H >X S+ 0 0 36 -4,-2.3 4,-1.7 2,-0.2 3,-0.6 0.918 111.1 51.7 -70.4 -41.5 19.7 20.6 0.9 62 82 A F H 3X S+ 0 0 4 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.886 105.5 58.6 -61.6 -31.5 21.4 23.6 -0.8 63 83 A D H 3X S+ 0 0 41 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.839 101.5 54.4 -62.6 -35.2 22.5 21.1 -3.5 64 84 A I H S+ 0 0 0 -4,-1.7 5,-2.7 1,-0.2 -2,-0.2 0.918 113.0 50.6 -60.0 -42.2 18.0 24.0 -4.7 66 86 A I H ><5S+ 0 0 18 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.928 109.4 49.4 -62.1 -46.4 21.1 24.3 -6.9 67 87 A K H 3<5S+ 0 0 163 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.788 111.2 49.8 -67.4 -24.0 20.0 21.3 -9.1 68 88 A K T 3<5S- 0 0 74 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.338 113.3-120.9 -92.9 7.0 16.5 22.9 -9.4 69 89 A N T < 5 + 0 0 129 -3,-1.8 2,-0.5 1,-0.2 3,-0.2 0.854 61.2 152.6 59.3 36.5 18.2 26.3 -10.5 70 90 A Y < - 0 0 73 -5,-2.7 -1,-0.2 1,-0.2 5,-0.2 -0.894 66.4 -22.8-104.1 130.3 16.5 27.9 -7.5 71 91 A N S > S- 0 0 55 -2,-0.5 4,-2.6 3,-0.1 -1,-0.2 0.901 79.9-177.8 45.3 48.1 17.8 31.1 -5.8 72 92 A L H > + 0 0 41 -3,-0.2 4,-2.6 1,-0.2 5,-0.2 0.829 69.0 49.0 -55.4 -46.5 21.3 30.1 -7.1 73 93 A A H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.948 117.2 43.1 -62.4 -44.2 23.5 32.8 -5.6 74 94 A N H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.861 113.5 52.1 -66.5 -37.1 22.0 32.2 -2.1 75 95 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.902 112.2 45.1 -68.3 -41.3 22.1 28.4 -2.5 76 96 A Y H X S+ 0 0 29 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.894 114.3 49.3 -66.7 -39.3 25.8 28.5 -3.5 77 97 A I H X S+ 0 0 33 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.925 112.4 49.0 -64.6 -43.2 26.6 30.9 -0.7 78 98 A G H X S+ 0 0 11 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.894 112.1 46.8 -60.8 -46.5 24.7 28.6 1.7 79 99 A K H X S+ 0 0 30 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.925 113.7 48.7 -63.2 -45.0 26.5 25.5 0.5 80 100 A S H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.919 109.9 52.5 -60.4 -44.7 29.9 27.3 0.8 81 101 A A H X S+ 0 0 13 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.842 105.3 55.1 -59.8 -37.7 29.1 28.6 4.3 82 102 A A H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.922 110.2 45.5 -62.9 -41.1 28.2 25.0 5.4 83 103 A Y H <>S+ 0 0 26 -4,-1.7 5,-2.6 2,-0.2 -2,-0.2 0.879 110.5 53.5 -70.4 -35.3 31.8 23.9 4.3 84 104 A R H ><5S+ 0 0 113 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.913 108.7 50.2 -60.0 -44.3 33.3 27.0 6.0 85 105 A D H 3<5S+ 0 0 50 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.805 107.3 53.2 -66.6 -29.1 31.5 25.8 9.2 86 106 A X T 3<5S- 0 0 66 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.364 117.9-119.6 -81.8 1.2 32.9 22.3 8.6 87 107 A K T < 5 + 0 0 184 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.886 68.3 141.8 58.5 44.3 36.4 24.1 8.5 88 108 A N >< + 0 0 64 -5,-2.6 4,-1.9 1,-0.2 -1,-0.2 -0.824 23.3 174.1-117.0 87.8 36.9 22.8 4.9 89 109 A N H > S+ 0 0 84 -2,-0.6 4,-2.4 2,-0.2 5,-0.2 0.816 75.5 57.0 -63.5 -36.1 38.5 25.6 3.0 90 110 A Q H > S+ 0 0 138 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.940 112.6 40.0 -66.7 -41.2 39.1 23.6 -0.2 91 111 A E H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.842 111.9 59.4 -75.8 -29.6 35.4 22.8 -0.6 92 112 A Y H X S+ 0 0 21 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.976 113.8 35.1 -58.9 -53.8 34.5 26.4 0.5 93 113 A I H X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.837 114.5 57.5 -74.2 -30.6 36.4 28.0 -2.4 94 114 A A H X S+ 0 0 42 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.919 109.7 46.4 -62.8 -39.7 35.5 25.1 -4.8 95 115 A T H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.924 111.9 49.0 -68.4 -46.2 31.8 25.9 -4.2 96 116 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.872 109.8 53.4 -60.3 -35.7 32.3 29.6 -4.6 97 117 A T H X S+ 0 0 26 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.914 109.9 47.0 -64.5 -44.5 34.2 28.9 -7.8 98 118 A E H X S+ 0 0 104 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.918 112.7 51.6 -61.2 -40.7 31.2 26.8 -9.1 99 119 A G H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.886 106.9 50.2 -64.6 -42.4 28.9 29.7 -8.0 100 120 A I H < S+ 0 0 30 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.808 112.3 49.9 -67.4 -29.6 30.9 32.5 -9.8 101 121 A K H < S+ 0 0 136 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.851 115.6 42.0 -73.1 -37.3 30.7 30.3 -13.0 102 122 A A H < S+ 0 0 51 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.874 130.3 24.0 -78.4 -42.1 26.9 29.7 -12.7 103 123 A V S >< S- 0 0 42 -4,-2.8 3,-1.1 -5,-0.1 -1,-0.2 -0.675 83.1-166.6-123.0 73.0 25.9 33.3 -11.7 104 124 A P T 3 S+ 0 0 93 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.318 72.3 22.9 -62.4 145.3 28.8 35.6 -13.1 105 125 A G T 3 S+ 0 0 44 1,-0.3 2,-0.7 -5,-0.1 3,-0.1 0.712 77.5 150.8 72.7 21.6 28.7 39.2 -11.7 106 126 A N <> - 0 0 43 -3,-1.1 4,-2.6 1,-0.2 -1,-0.3 -0.824 40.9-145.8 -84.1 117.5 26.8 38.3 -8.5 107 127 A A H > S+ 0 0 55 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.903 92.9 44.5 -50.5 -53.8 28.1 41.0 -6.0 108 128 A T H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 115.6 46.4 -65.6 -44.4 28.0 38.8 -2.8 109 129 A I H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.924 113.7 49.6 -62.9 -44.1 29.6 35.6 -4.5 110 130 A E H X S+ 0 0 13 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.899 110.0 51.7 -61.1 -39.6 32.3 37.8 -6.1 111 131 A K H X S+ 0 0 92 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.944 112.7 44.2 -62.1 -48.7 33.0 39.5 -2.7 112 132 A L H X S+ 0 0 36 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.889 115.6 48.3 -62.1 -42.5 33.4 36.1 -0.9 113 133 A Y H X S+ 0 0 6 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.938 115.7 42.9 -61.2 -52.8 35.6 34.6 -3.7 114 134 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.897 112.2 53.3 -65.4 -39.9 37.9 37.6 -3.9 115 135 A I H X S+ 0 0 92 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.914 107.5 53.2 -62.9 -40.1 38.1 38.0 -0.1 116 136 A Y H X S+ 0 0 23 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.935 114.0 40.1 -57.4 -52.3 39.2 34.3 0.2 117 137 A Y H X S+ 0 0 27 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.830 113.8 52.9 -70.8 -33.4 42.0 34.7 -2.4 118 138 A L H X S+ 0 0 30 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.910 112.0 46.8 -67.4 -38.5 43.1 38.1 -1.1 119 139 A K H X S+ 0 0 51 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.900 113.4 48.4 -67.2 -41.3 43.4 36.6 2.5 120 140 A E H X S+ 0 0 37 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.926 112.0 49.1 -62.8 -46.9 45.3 33.6 1.1 121 141 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.901 111.5 49.5 -58.4 -42.5 47.7 35.9 -0.8 122 142 A Q H X S+ 0 0 106 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.906 109.7 51.7 -62.7 -43.1 48.2 38.0 2.3 123 143 A K H X S+ 0 0 97 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.926 114.1 42.7 -61.9 -45.5 49.0 34.9 4.4 124 144 A F H <>S+ 0 0 41 -4,-2.4 5,-2.7 2,-0.2 -2,-0.2 0.859 112.8 52.9 -71.3 -35.7 51.6 33.6 1.8 125 145 A Q H ><5S+ 0 0 45 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.908 108.1 50.9 -64.1 -42.5 53.1 37.1 1.4 126 146 A Q H 3<5S+ 0 0 146 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.821 109.8 50.5 -65.2 -30.1 53.5 37.4 5.2 127 147 A A T 3<5S- 0 0 85 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.274 119.3-112.9 -89.8 8.8 55.3 34.0 5.2 128 148 A G T < 5S+ 0 0 53 -3,-1.5 2,-1.3 1,-0.2 -3,-0.2 0.592 71.4 139.9 69.9 16.2 57.6 35.2 2.4 129 149 A N >< + 0 0 52 -5,-2.7 4,-2.3 1,-0.2 -1,-0.2 -0.699 22.2 174.0 -92.5 87.4 56.2 32.8 -0.2 130 150 A I H > S+ 0 0 44 -2,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.873 73.6 52.0 -61.1 -46.7 56.2 35.1 -3.3 131 151 A E H > S+ 0 0 142 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 114.6 41.6 -60.2 -43.9 55.1 32.5 -5.9 132 152 A K H > S+ 0 0 96 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.867 113.0 53.6 -76.7 -32.1 52.1 31.3 -3.8 133 153 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 -9,-0.2 5,-0.2 0.939 111.3 47.2 -62.9 -43.3 51.1 34.9 -2.9 134 154 A E H X S+ 0 0 34 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.915 109.4 52.8 -63.9 -45.4 51.1 35.8 -6.6 135 155 A E H X S+ 0 0 111 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.901 113.5 44.3 -55.8 -45.4 49.1 32.7 -7.6 136 156 A N H X S+ 0 0 21 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.935 113.2 48.1 -69.8 -47.2 46.4 33.6 -5.0 137 157 A Y H X S+ 0 0 7 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.895 108.9 56.2 -62.7 -34.6 46.2 37.3 -5.8 138 158 A K H >< S+ 0 0 91 -4,-2.7 3,-1.1 1,-0.2 4,-0.2 0.893 104.2 53.1 -61.7 -38.2 46.0 36.4 -9.5 139 159 A H H >< S+ 0 0 53 -4,-1.6 3,-1.9 1,-0.3 -1,-0.2 0.870 101.4 59.2 -64.1 -34.2 42.9 34.3 -8.7 140 160 A A H >< S+ 0 0 0 -4,-1.6 3,-0.7 1,-0.3 -1,-0.3 0.697 95.3 64.3 -68.9 -14.7 41.3 37.3 -7.0 141 161 A T T << S+ 0 0 32 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.561 80.9 83.7 -80.9 -7.4 41.6 39.1 -10.4 142 162 A D T < + 0 0 81 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.1 0.500 68.7 100.1 -71.1 -9.6 39.1 36.5 -11.9 143 163 A V S < S- 0 0 2 -3,-0.7 6,-0.0 -4,-0.1 -32,-0.0 -0.451 75.4-135.9 -74.1 154.5 36.2 38.6 -10.6 144 164 A T S S+ 0 0 86 -2,-0.1 2,-0.2 4,-0.0 -1,-0.1 0.721 74.4 105.9 -84.3 -22.3 34.4 40.8 -13.1 145 165 A S > - 0 0 31 1,-0.2 4,-1.9 -38,-0.1 5,-0.1 -0.421 61.9-152.6 -61.4 122.6 34.2 43.8 -10.6 146 166 A K H > S+ 0 0 118 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.838 95.5 55.3 -64.5 -34.8 36.8 46.5 -11.6 147 167 A K H > S+ 0 0 112 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.932 111.0 41.9 -64.1 -47.9 37.0 47.6 -7.9 148 168 A W H > S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.852 113.4 53.6 -71.2 -32.9 38.0 44.1 -6.7 149 169 A K H X S+ 0 0 62 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.902 105.0 57.0 -63.8 -42.2 40.3 43.6 -9.6 150 170 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.905 107.1 45.6 -57.5 -46.5 42.0 46.8 -8.7 151 171 A D H X S+ 0 0 49 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.849 111.4 51.9 -76.5 -18.8 42.9 45.7 -5.1 152 172 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.925 114.7 44.4 -72.1 -40.6 44.1 42.3 -6.3 153 173 A L H X S+ 0 0 10 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.887 112.5 50.9 -68.2 -39.8 46.4 44.1 -8.8 154 174 A Y H X S+ 0 0 43 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.921 109.5 50.8 -64.0 -40.3 47.5 46.7 -6.2 155 175 A S H X S+ 0 0 35 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.911 111.0 49.4 -62.7 -39.0 48.3 43.7 -3.8 156 176 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.886 109.7 51.8 -66.7 -40.0 50.4 42.2 -6.7 157 177 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.934 112.7 43.8 -61.1 -45.9 52.2 45.5 -7.2 158 178 A V H X S+ 0 0 33 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.894 110.9 55.7 -65.8 -43.4 53.1 45.8 -3.5 159 179 A L H X S+ 0 0 2 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.940 114.9 38.0 -53.2 -52.7 54.2 42.1 -3.4 160 180 A F H X S+ 0 0 9 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.856 113.9 55.0 -73.0 -31.0 56.7 42.6 -6.3 161 181 A Y H X S+ 0 0 48 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.934 112.1 44.6 -64.7 -42.4 57.8 46.1 -5.1 162 182 A N H X S+ 0 0 86 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.888 113.4 51.0 -68.7 -38.1 58.7 44.7 -1.7 163 183 A N H X S+ 0 0 44 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.954 111.1 46.7 -65.2 -48.1 60.4 41.7 -3.3 164 184 A G H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.912 113.6 49.5 -59.6 -42.4 62.5 44.0 -5.6 165 185 A A H X S+ 0 0 37 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.890 110.6 50.3 -63.9 -40.7 63.4 46.2 -2.6 166 186 A D H X S+ 0 0 72 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.879 112.3 47.0 -63.6 -40.6 64.4 43.2 -0.5 167 187 A V H X S+ 0 0 17 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.940 113.1 48.6 -68.5 -43.4 66.6 41.9 -3.3 168 188 A L H X S+ 0 0 67 -4,-2.6 4,-1.2 2,-0.2 3,-0.5 0.910 108.7 55.3 -60.8 -42.5 68.2 45.4 -3.8 169 189 A R H >< S+ 0 0 145 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.935 110.1 44.6 -54.2 -53.0 68.7 45.6 0.0 170 190 A K H 3< S+ 0 0 112 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.672 110.6 56.7 -69.8 -18.2 70.7 42.3 0.0 171 191 A A H >X S+ 0 0 3 -4,-1.2 3,-1.3 -3,-0.5 4,-0.6 0.692 83.4 82.0 -87.2 -23.7 72.7 43.3 -3.1 172 192 A T G X< S+ 0 0 100 -4,-1.2 3,-1.4 -3,-0.7 4,-0.3 0.908 91.0 49.3 -50.8 -50.7 74.2 46.6 -1.7 173 193 A P G 34 S+ 0 0 90 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.682 105.6 61.3 -64.6 -14.5 77.1 44.9 0.2 174 194 A L G X> S+ 0 0 25 -3,-1.3 4,-2.6 1,-0.2 3,-1.0 0.635 77.2 87.0 -84.4 -19.1 78.0 42.9 -3.0 175 195 A A T << S+ 0 0 39 -3,-1.4 -1,-0.2 -4,-0.6 -3,-0.1 0.830 107.2 21.6 -53.7 -35.5 78.7 46.0 -5.2 176 196 A S T 34 S+ 0 0 124 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.189 131.9 41.8-116.8 11.6 82.4 46.0 -4.0 177 197 A S T <4 S+ 0 0 89 -3,-1.0 -2,-0.2 -4,-0.1 -3,-0.2 0.622 126.1 14.5-127.4 -27.7 82.8 42.4 -2.8 178 198 A N X + 0 0 52 -4,-2.6 4,-2.6 1,-0.1 3,-0.2 -0.611 56.7 173.8-152.8 79.2 81.1 40.1 -5.4 179 199 A K H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.807 80.9 60.1 -63.6 -28.7 80.3 41.9 -8.7 180 200 A E H > S+ 0 0 144 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.935 112.4 37.6 -60.0 -51.1 79.1 38.5 -10.2 181 201 A K H > S+ 0 0 92 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.880 112.3 59.2 -72.9 -35.9 76.4 38.1 -7.6 182 202 A Y H X S+ 0 0 72 -4,-2.6 4,-2.6 -8,-0.3 -2,-0.2 0.917 106.4 47.6 -58.1 -43.9 75.7 41.8 -7.6 183 203 A A H X S+ 0 0 57 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.912 112.7 50.1 -64.8 -39.3 74.8 41.7 -11.3 184 204 A S H X S+ 0 0 51 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.935 114.2 43.3 -61.8 -49.1 72.6 38.6 -10.7 185 205 A E H X S+ 0 0 31 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.893 111.0 54.3 -67.0 -39.3 70.7 40.2 -7.8 186 206 A K H X S+ 0 0 117 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.885 109.3 49.1 -59.5 -41.9 70.3 43.6 -9.7 187 207 A A H X S+ 0 0 64 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.908 110.8 50.3 -66.9 -39.7 68.7 41.7 -12.6 188 208 A K H X S+ 0 0 114 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.900 111.9 47.3 -63.1 -42.6 66.4 39.9 -10.2 189 209 A A H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.937 110.4 52.5 -63.9 -45.8 65.4 43.2 -8.6 190 210 A D H X S+ 0 0 58 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.900 109.1 49.7 -56.0 -44.6 64.8 44.9 -12.0 191 211 A A H X S+ 0 0 59 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.916 112.1 47.9 -62.3 -44.4 62.5 42.0 -13.1 192 212 A A H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.931 113.1 47.9 -61.8 -47.1 60.5 42.3 -9.8 193 213 A F H X S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.879 110.2 51.9 -63.7 -38.0 60.2 46.2 -10.2 194 214 A K H X S+ 0 0 102 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.917 110.6 47.7 -67.4 -37.9 59.1 45.8 -13.8 195 215 A K H X S+ 0 0 80 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.930 112.5 50.9 -63.8 -43.0 56.3 43.3 -12.8 196 216 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.912 107.9 50.9 -58.4 -47.1 55.3 45.7 -10.1 197 217 A V H X S+ 0 0 18 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.883 112.6 47.8 -59.3 -41.0 55.1 48.7 -12.5 198 218 A D H X S+ 0 0 110 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.930 112.9 45.6 -69.9 -45.6 52.9 46.7 -14.8 199 219 A Y H X S+ 0 0 19 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.904 116.3 46.7 -63.9 -41.1 50.5 45.4 -12.2 200 220 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.920 109.7 53.6 -68.1 -38.7 50.2 48.9 -10.6 201 221 A G H X S+ 0 0 17 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.901 108.0 50.8 -58.0 -43.4 49.7 50.4 -14.1 202 222 A E H X S+ 0 0 99 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.872 111.4 48.2 -60.1 -42.1 46.8 48.0 -14.6 203 223 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.912 109.7 51.5 -67.0 -44.9 45.2 49.0 -11.2 204 224 A V H < S+ 0 0 24 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.899 108.2 53.5 -59.2 -44.1 45.6 52.8 -12.0 205 225 A T H < S+ 0 0 109 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.926 113.7 41.3 -59.3 -44.7 43.8 52.2 -15.4 206 226 A L H < S+ 0 0 39 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.843 130.5 25.6 -72.4 -34.0 40.8 50.5 -13.7 207 227 A S >< + 0 0 0 -4,-2.3 3,-2.0 1,-0.1 -1,-0.2 -0.634 61.1 166.8-132.9 74.5 40.6 52.9 -10.7 208 228 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.743 76.8 66.5 -63.6 -17.2 42.1 56.3 -11.7 209 229 A N T 3 S+ 0 0 102 1,-0.1 2,-1.7 2,-0.1 3,-0.2 0.605 77.0 89.0 -75.8 -13.9 40.5 57.8 -8.4 210 230 A R X> + 0 0 78 -3,-2.0 3,-1.3 1,-0.2 4,-1.1 -0.620 56.1 175.6 -86.5 78.2 42.8 55.7 -6.3 211 231 A T H 3> S+ 0 0 99 -2,-1.7 4,-2.1 1,-0.3 -1,-0.2 0.783 70.8 63.8 -60.9 -26.1 45.6 58.3 -6.1 212 232 A E H 3> S+ 0 0 146 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.827 98.7 55.3 -68.7 -28.8 47.8 56.2 -3.7 213 233 A I H <> S+ 0 0 0 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.930 108.1 48.2 -68.1 -41.0 48.2 53.5 -6.4 214 234 A K H X S+ 0 0 93 -4,-1.1 4,-2.2 1,-0.2 -2,-0.2 0.914 110.8 52.2 -63.0 -41.9 49.5 56.1 -8.9 215 235 A Q H X S+ 0 0 122 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.918 109.8 47.8 -63.0 -41.7 51.9 57.3 -6.2 216 236 A X H X S+ 0 0 42 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.924 108.3 54.2 -68.9 -35.9 53.2 53.8 -5.5 217 237 A Q H X S+ 0 0 16 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.908 107.4 52.2 -61.3 -38.5 53.7 53.2 -9.2 218 238 A D H X S+ 0 0 63 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.892 107.6 51.8 -62.2 -39.5 55.8 56.4 -9.4 219 239 A Q H < S+ 0 0 87 -4,-1.8 4,-0.4 2,-0.2 -2,-0.2 0.905 111.2 47.1 -63.9 -42.1 57.9 55.1 -6.4 220 240 A V H >X S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 4,-0.6 0.946 108.6 54.5 -65.1 -45.8 58.5 51.8 -8.3 221 241 A K H >< S+ 0 0 101 -4,-2.9 3,-1.2 1,-0.3 -1,-0.2 0.846 100.8 60.7 -55.7 -34.2 59.4 53.7 -11.6 222 242 A A T 3< S+ 0 0 85 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.674 100.7 55.9 -66.3 -18.0 62.1 55.6 -9.6 223 243 A X T <4 0 0 70 -3,-2.1 -1,-0.2 -4,-0.4 -2,-0.2 0.570 360.0 360.0 -88.3 -15.4 63.8 52.2 -8.9 224 244 A I << 0 0 97 -3,-1.2 -2,-0.1 -4,-0.6 -3,-0.1 0.753 360.0 360.0 -94.6 360.0 64.1 51.3 -12.6