==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-DEC-02 1NG6 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YQEY; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR R.ZHANG,I.DEMENTIVA,E.VINOKOUR,F.COLLART,A.JOACHIMIAK, . 148 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 79.1 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 . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 0 3 0 0 0 0 0 1 0 0 0 0 1 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 . 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 1 A M 0 0 145 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.6 15.0 10.8 -1.4 2 2 A S > - 0 0 47 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.197 360.0-105.5 -71.0 166.4 18.0 11.9 0.7 3 3 A L H > S+ 0 0 22 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.912 122.6 48.2 -59.4 -43.5 18.3 11.1 4.4 4 4 A L H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.880 110.8 50.0 -66.2 -38.2 17.4 14.7 5.4 5 5 A E H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 112.0 50.0 -66.3 -37.4 14.4 14.7 3.0 6 6 A R H X S+ 0 0 85 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.925 111.3 47.1 -64.7 -47.2 13.3 11.4 4.6 7 7 A L H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.899 112.0 50.5 -63.3 -41.8 13.7 12.8 8.2 8 8 A N H X S+ 0 0 66 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.915 111.0 49.2 -63.2 -41.7 11.8 16.0 7.3 9 9 A Q H X S+ 0 0 117 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.918 112.8 47.0 -62.8 -43.9 9.0 13.9 5.8 10 10 A D H X S+ 0 0 19 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.856 104.0 61.5 -67.7 -34.5 8.8 11.7 8.9 11 11 A M H X S+ 0 0 40 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.945 108.8 43.7 -55.3 -47.5 8.9 14.7 11.2 12 12 A K H X S+ 0 0 160 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.908 112.6 52.1 -64.3 -42.8 5.6 15.8 9.6 13 13 A L H X S+ 0 0 69 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.915 112.4 44.5 -61.0 -44.4 4.1 12.3 9.7 14 14 A Y H <>S+ 0 0 42 -4,-3.1 5,-2.6 2,-0.2 -1,-0.2 0.741 111.4 53.3 -74.6 -22.0 4.9 11.9 13.4 15 15 A M H <5S+ 0 0 116 -4,-1.5 3,-0.4 -5,-0.3 -2,-0.2 0.897 114.6 43.0 -74.6 -41.1 3.6 15.4 14.2 16 16 A K H <5S+ 0 0 143 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.924 119.0 41.3 -69.0 -47.7 0.3 14.5 12.3 17 17 A N T <5S- 0 0 79 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.333 110.8-121.2 -85.0 7.5 -0.0 11.0 13.8 18 18 A R T 5 + 0 0 217 -3,-0.4 2,-0.9 1,-0.2 -3,-0.2 0.896 54.7 156.0 54.7 49.9 1.0 12.2 17.2 19 19 A E >< + 0 0 78 -5,-2.6 4,-2.6 1,-0.2 -1,-0.2 -0.730 11.6 173.7-104.5 79.2 4.1 10.0 17.7 20 20 A K H > S+ 0 0 158 -2,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.891 74.3 49.2 -54.9 -48.6 6.0 12.1 20.2 21 21 A D H > S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.902 114.1 46.8 -60.6 -41.6 8.8 9.7 20.9 22 22 A K H > S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.907 110.7 52.5 -66.6 -42.8 9.4 9.1 17.2 23 23 A L H X S+ 0 0 33 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.913 107.6 51.4 -59.8 -45.7 9.3 12.8 16.5 24 24 A T H X S+ 0 0 41 -4,-2.4 4,-2.1 2,-0.2 5,-0.2 0.947 111.6 46.0 -59.1 -50.6 12.0 13.6 19.1 25 25 A V H X S+ 0 0 2 -4,-1.8 4,-2.6 1,-0.2 5,-0.3 0.948 112.7 51.7 -57.7 -48.9 14.4 11.0 17.9 26 26 A V H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.903 113.1 42.0 -57.7 -45.3 13.9 12.1 14.2 27 27 A R H X S+ 0 0 121 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.835 113.2 54.0 -75.0 -26.8 14.6 15.8 14.8 28 28 A M H X S+ 0 0 94 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.927 111.3 45.1 -68.6 -44.5 17.5 15.1 17.2 29 29 A V H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.912 111.6 52.9 -64.4 -43.5 19.2 13.0 14.5 30 30 A K H X S+ 0 0 41 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.941 108.3 50.8 -57.3 -46.8 18.4 15.6 11.8 31 31 A A H X S+ 0 0 33 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.888 107.7 53.0 -59.1 -40.1 20.1 18.2 14.0 32 32 A S H X S+ 0 0 29 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.886 109.0 49.2 -63.9 -38.1 23.2 16.1 14.5 33 33 A L H X S+ 0 0 4 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.908 114.0 45.8 -67.0 -40.8 23.5 15.7 10.7 34 34 A Q H X S+ 0 0 90 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.880 111.3 52.3 -68.9 -38.6 23.1 19.4 10.3 35 35 A N H X S+ 0 0 96 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.849 106.0 53.9 -67.3 -34.6 25.6 20.2 13.1 36 36 A E H X S+ 0 0 32 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.912 109.8 47.3 -66.9 -40.0 28.2 17.9 11.6 37 37 A A H <>S+ 0 0 8 -4,-1.5 5,-2.2 2,-0.2 -2,-0.2 0.868 111.7 51.1 -67.9 -36.5 28.0 19.8 8.2 38 38 A I H ><5S+ 0 0 101 -4,-1.9 3,-1.5 3,-0.2 -2,-0.2 0.928 107.4 53.4 -65.2 -43.8 28.2 23.1 10.1 39 39 A K H 3<5S+ 0 0 163 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.910 113.8 42.2 -55.4 -44.5 31.3 21.9 11.9 40 40 A L T 3<5S- 0 0 77 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.380 111.6-126.3 -84.4 2.6 32.9 21.1 8.6 41 41 A K T < 5 + 0 0 175 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.929 66.7 117.9 49.6 56.6 31.6 24.3 7.1 42 42 A K S - 0 0 69 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.432 41.6-107.7 -74.9 163.1 28.7 12.6 1.9 47 47 A E H > S+ 0 0 150 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.835 122.0 52.6 -65.9 -28.7 26.5 9.6 2.4 48 48 A D H > S+ 0 0 82 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.865 106.7 52.8 -72.7 -36.0 29.3 7.8 4.3 49 49 A E H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.873 107.1 53.1 -66.5 -33.3 29.7 10.8 6.6 50 50 A E H X S+ 0 0 27 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.912 105.3 54.0 -66.8 -41.1 26.0 10.5 7.3 51 51 A L H X S+ 0 0 39 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.880 106.1 53.0 -59.4 -38.7 26.4 6.9 8.2 52 52 A T H X S+ 0 0 79 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.910 110.2 47.5 -63.9 -42.0 29.1 7.8 10.7 53 53 A V H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.941 112.0 49.3 -65.0 -46.7 26.8 10.3 12.4 54 54 A L H X S+ 0 0 4 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.922 111.3 49.4 -59.6 -43.3 23.9 7.8 12.5 55 55 A S H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.858 110.7 51.0 -63.8 -34.6 26.2 5.2 14.0 56 56 A R H X S+ 0 0 93 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.909 108.5 50.8 -69.1 -42.2 27.4 7.7 16.6 57 57 A E H X S+ 0 0 11 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.879 111.8 49.0 -61.5 -38.2 23.8 8.6 17.5 58 58 A L H X S+ 0 0 3 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.926 111.6 47.8 -67.7 -45.2 23.0 4.9 18.0 59 59 A K H X S+ 0 0 66 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.906 106.6 56.7 -63.3 -42.4 26.1 4.3 20.2 60 60 A Q H X S+ 0 0 94 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.907 111.4 44.4 -55.7 -42.1 25.4 7.3 22.4 61 61 A R H X S+ 0 0 17 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.894 110.6 52.4 -71.8 -40.0 22.0 5.9 23.1 62 62 A K H X S+ 0 0 85 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.924 111.7 48.5 -61.4 -40.6 23.3 2.3 23.7 63 63 A D H X S+ 0 0 70 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.908 111.0 50.2 -65.2 -40.5 25.8 3.8 26.1 64 64 A S H X S+ 0 0 41 -4,-1.9 4,-2.7 -5,-0.2 5,-0.2 0.888 106.3 54.9 -64.9 -40.8 23.0 5.8 27.9 65 65 A L H X S+ 0 0 31 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.929 109.4 47.4 -59.1 -45.8 20.8 2.7 28.2 66 66 A Q H X S+ 0 0 105 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.913 112.2 50.0 -62.7 -42.3 23.5 0.8 30.0 67 67 A E H X S+ 0 0 123 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.892 111.0 47.9 -65.3 -38.5 24.2 3.8 32.3 68 68 A F H X>S+ 0 0 60 -4,-2.7 5,-2.4 2,-0.2 4,-0.5 0.828 110.2 53.4 -70.8 -29.5 20.6 4.2 33.2 69 69 A S H ><5S+ 0 0 50 -4,-1.9 3,-1.3 -5,-0.2 -2,-0.2 0.939 108.2 49.7 -67.2 -45.7 20.4 0.4 33.9 70 70 A N H 3<5S+ 0 0 109 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.896 111.5 49.8 -57.6 -39.4 23.4 0.8 36.2 71 71 A A H 3<5S- 0 0 62 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.546 110.3-125.0 -77.8 -7.5 21.5 3.7 37.9 72 72 A N T <<5 + 0 0 133 -3,-1.3 2,-0.9 -4,-0.5 -3,-0.2 0.814 65.0 138.9 66.2 31.3 18.3 1.6 38.3 73 73 A R >>< + 0 0 119 -5,-2.4 4,-2.0 1,-0.2 3,-0.5 -0.758 21.5 171.5-104.0 80.2 16.2 4.1 36.4 74 74 A L H 3> S+ 0 0 107 -2,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.775 73.0 62.3 -63.7 -26.6 14.2 1.6 34.4 75 75 A D H 3> S+ 0 0 90 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.901 108.7 42.5 -65.7 -37.7 11.8 4.3 33.2 76 76 A L H <> S+ 0 0 32 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.847 110.6 55.6 -76.2 -34.6 14.8 6.0 31.5 77 77 A V H X S+ 0 0 19 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.942 109.6 47.9 -59.9 -45.7 16.1 2.6 30.3 78 78 A D H X S+ 0 0 87 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.872 109.7 52.5 -63.3 -38.2 12.7 2.1 28.6 79 79 A K H X S+ 0 0 99 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.935 112.2 43.8 -63.6 -47.5 12.8 5.6 27.1 80 80 A V H X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.865 109.9 57.1 -66.9 -35.3 16.2 5.1 25.5 81 81 A Q H X S+ 0 0 76 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.926 105.5 50.9 -60.9 -43.3 15.2 1.6 24.4 82 82 A K H X S+ 0 0 101 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.869 108.4 52.6 -62.0 -36.4 12.3 3.1 22.5 83 83 A E H X S+ 0 0 36 -4,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.884 108.3 50.0 -66.4 -39.5 14.7 5.6 20.9 84 84 A L H X S+ 0 0 11 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.924 108.2 53.0 -64.4 -43.6 17.0 2.7 19.7 85 85 A D H < S+ 0 0 84 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.860 114.4 42.9 -58.5 -37.0 13.9 0.9 18.2 86 86 A I H >< S+ 0 0 17 -4,-1.6 3,-1.1 -5,-0.2 4,-0.3 0.927 113.6 49.5 -75.5 -47.3 13.1 4.1 16.3 87 87 A L H >< S+ 0 0 0 -4,-3.0 3,-2.2 1,-0.2 4,-0.3 0.859 98.5 66.8 -62.4 -37.7 16.6 5.0 15.2 88 88 A E G >< S+ 0 0 91 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.737 87.6 70.2 -57.3 -22.7 17.4 1.5 13.9 89 89 A V G < S+ 0 0 92 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.756 98.8 49.0 -66.5 -23.7 14.8 2.0 11.2 90 90 A Y G < S+ 0 0 16 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.436 106.2 66.9 -96.0 -1.6 17.1 4.5 9.5 91 91 A L S < S- 0 0 18 -3,-1.1 3,-0.1 -4,-0.3 42,-0.1 -0.779 88.3-100.2-118.5 162.0 20.2 2.4 9.6 92 92 A P - 0 0 48 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.263 68.6 -63.7 -70.2 168.9 21.3 -0.9 7.8 93 93 A E - 0 0 169 1,-0.1 2,-0.2 -4,-0.1 -4,-0.0 -0.311 62.3-119.6 -56.0 134.1 21.0 -4.0 9.9 94 94 A Q - 0 0 44 -3,-0.1 2,-0.4 1,-0.1 40,-0.2 -0.534 18.8-129.6 -80.1 142.1 23.3 -3.8 12.9 95 95 A L - 0 0 39 38,-3.1 2,-0.1 -2,-0.2 -1,-0.1 -0.738 16.2-129.5 -91.6 135.1 26.1 -6.4 13.4 96 96 A S > - 0 0 56 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.427 32.7-106.5 -73.7 159.4 26.4 -8.2 16.8 97 97 A E H > S+ 0 0 95 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.878 123.3 52.4 -57.2 -36.1 30.0 -8.0 18.1 98 98 A E H > S+ 0 0 158 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 109.5 48.2 -65.8 -41.5 30.4 -11.7 17.2 99 99 A E H > S+ 0 0 96 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.896 113.1 48.7 -65.5 -38.8 29.2 -11.1 13.7 100 100 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.915 107.9 53.3 -66.3 -43.8 31.6 -8.2 13.4 101 101 A R H X S+ 0 0 106 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.902 106.4 54.1 -58.1 -40.9 34.6 -10.2 14.8 102 102 A T H X S+ 0 0 95 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.922 110.7 45.6 -58.6 -45.1 33.9 -12.8 12.1 103 103 A I H X S+ 0 0 32 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.876 109.9 54.6 -67.1 -39.1 34.1 -10.2 9.4 104 104 A V H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.949 112.4 43.5 -59.2 -48.1 37.2 -8.7 10.9 105 105 A N H X S+ 0 0 73 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.913 112.7 52.5 -63.3 -43.8 38.9 -12.1 10.8 106 106 A E H X S+ 0 0 86 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.894 112.9 44.6 -59.6 -41.7 37.6 -12.8 7.3 107 107 A T H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 6,-0.3 0.914 111.7 50.4 -72.3 -44.1 39.0 -9.5 6.0 108 108 A I H <>S+ 0 0 17 -4,-2.5 5,-1.7 -5,-0.2 4,-0.4 0.934 113.4 49.2 -58.8 -42.9 42.3 -9.8 7.7 109 109 A A H ><5S+ 0 0 74 -4,-2.6 3,-1.2 -5,-0.2 -2,-0.2 0.951 110.1 47.9 -61.7 -52.2 42.6 -13.3 6.2 110 110 A E H 3<5S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.764 111.4 48.0 -64.8 -29.5 41.7 -12.4 2.6 111 111 A V T 3<5S- 0 0 37 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.405 110.6-116.3 -93.6 4.5 44.0 -9.4 2.2 112 112 A G T < 5 + 0 0 57 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.753 58.9 158.1 70.9 25.4 47.0 -11.2 3.6 113 113 A A < + 0 0 13 -5,-1.7 -1,-0.2 -6,-0.3 3,-0.1 -0.418 15.3 152.5 -81.5 157.5 47.4 -8.9 6.6 114 114 A S + 0 0 79 1,-0.4 34,-3.0 -2,-0.1 2,-0.2 0.425 57.6 41.8-149.4 -41.4 49.2 -9.8 9.9 115 115 A S S > S- 0 0 36 32,-0.3 3,-2.3 1,-0.1 -1,-0.4 -0.667 85.8-100.6-115.0 171.6 50.6 -6.8 11.7 116 116 A K G > S+ 0 0 98 32,-2.5 3,-2.0 1,-0.3 4,-0.3 0.705 115.3 74.9 -62.2 -19.8 49.4 -3.2 12.4 117 117 A A G 3 S+ 0 0 93 1,-0.3 -1,-0.3 31,-0.2 3,-0.3 0.740 95.4 53.6 -63.5 -19.1 51.6 -2.1 9.5 118 118 A D G <> S+ 0 0 39 -3,-2.3 4,-2.1 1,-0.2 -1,-0.3 0.318 76.4 106.2 -96.0 5.3 48.7 -3.6 7.4 119 119 A M H <> S+ 0 0 46 -3,-2.0 4,-3.2 1,-0.2 5,-0.3 0.890 74.2 55.3 -51.6 -49.2 46.0 -1.6 9.2 120 120 A G H > S+ 0 0 59 -4,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.909 110.2 45.8 -52.5 -47.4 45.4 0.7 6.2 121 121 A K H > S+ 0 0 102 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.869 114.2 48.0 -66.0 -38.8 44.8 -2.2 3.9 122 122 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.940 111.6 49.1 -69.2 -45.6 42.5 -4.0 6.3 123 123 A M H X S+ 0 0 26 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.864 109.8 52.5 -62.1 -36.4 40.4 -0.9 7.1 124 124 A G H < S+ 0 0 53 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.873 114.4 42.3 -67.5 -35.2 40.0 -0.1 3.4 125 125 A A H < S+ 0 0 30 -4,-1.5 4,-0.3 -5,-0.2 -2,-0.2 0.795 116.8 46.9 -81.1 -29.4 38.7 -3.6 2.7 126 126 A I H >X S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 4,-1.3 0.849 94.6 71.3 -83.9 -34.1 36.5 -3.9 5.7 127 127 A M H 3X S+ 0 0 64 -4,-2.0 4,-2.8 1,-0.3 3,-0.4 0.856 92.3 57.4 -52.7 -40.9 34.6 -0.6 5.6 128 128 A P H 34 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.815 111.8 45.4 -60.2 -26.6 32.5 -1.5 2.6 129 129 A K H <4 S+ 0 0 57 -3,-1.5 -2,-0.2 -4,-0.3 -3,-0.1 0.723 127.0 22.9 -87.5 -25.1 31.3 -4.5 4.6 130 130 A V H >X S+ 0 0 0 -4,-1.3 3,-2.8 -3,-0.4 4,-0.7 0.552 76.3 129.7-123.1 -10.4 30.5 -2.8 7.9 131 131 A K T 3< S+ 0 0 79 -4,-2.8 4,-0.1 1,-0.3 -79,-0.1 -0.218 89.5 6.6 -52.3 132.0 29.9 0.9 7.5 132 132 A G T 34 S+ 0 0 4 2,-0.5 -1,-0.3 -84,-0.1 3,-0.1 0.333 116.3 83.3 77.7 -8.3 26.7 1.9 9.3 133 133 A K T <4 S+ 0 0 76 -3,-2.8 -38,-3.1 1,-0.2 2,-0.3 0.494 100.4 15.3-103.5 -7.8 26.4 -1.6 10.7 134 134 A A S < S- 0 0 7 -4,-0.7 -2,-0.5 -40,-0.2 -1,-0.2 -0.970 93.9 -83.7-159.1 155.2 28.7 -1.1 13.7 135 135 A D >> - 0 0 19 -2,-0.3 4,-2.0 1,-0.1 3,-0.5 -0.452 34.6-129.5 -67.8 133.1 30.2 1.8 15.5 136 136 A G H 3> S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.837 106.3 58.0 -48.9 -40.2 33.4 3.1 13.9 137 137 A S H 3> S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.932 107.5 45.6 -58.2 -48.5 35.3 3.0 17.2 138 138 A L H <> S+ 0 0 48 -3,-0.5 4,-3.0 2,-0.2 5,-0.3 0.896 110.8 53.8 -63.2 -41.9 34.6 -0.8 17.7 139 139 A I H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.966 112.4 42.2 -57.1 -56.6 35.6 -1.6 14.1 140 140 A N H X S+ 0 0 78 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.886 115.4 54.1 -57.2 -39.6 39.0 0.2 14.4 141 141 A K H X S+ 0 0 110 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.918 110.3 42.7 -62.0 -48.4 39.4 -1.4 17.8 142 142 A L H X S+ 0 0 5 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.858 115.0 50.0 -70.2 -35.8 38.7 -5.0 16.7 143 143 A V H X S+ 0 0 0 -4,-2.4 4,-1.1 -5,-0.3 3,-0.3 0.968 112.3 47.1 -66.3 -50.6 40.9 -4.7 13.6 144 144 A S H >< S+ 0 0 36 -4,-2.5 3,-0.7 -5,-0.2 -2,-0.2 0.915 112.0 51.1 -55.4 -46.6 43.8 -3.2 15.6 145 145 A S H 3< S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.813 108.6 50.2 -63.0 -34.2 43.5 -5.9 18.3 146 146 A Q H 3< S+ 0 0 100 -4,-1.6 2,-0.3 -3,-0.3 -1,-0.2 0.645 99.3 80.8 -81.0 -14.2 43.6 -8.8 15.8 147 147 A L << 0 0 4 -4,-1.1 -32,-0.3 -3,-0.7 -31,-0.1 -0.703 360.0 360.0 -92.5 145.1 46.7 -7.4 14.1 148 148 A S 0 0 119 -34,-3.0 -32,-2.5 -2,-0.3 -31,-0.2 -0.231 360.0 360.0 -79.0 360.0 50.1 -8.0 15.6