==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL INVASION 28-SEP-11 3U0C . COMPND 2 MOLECULE: INVASIN IPAB; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR M.L.BARTA,B.V.GEISBRECHT . 302 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 90.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 86.4 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+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 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 4 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 74 A N > 0 0 143 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 105.5 2.8 -10.1 17.8 2 75 A A H > + 0 0 22 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.844 360.0 53.3 -52.8 -42.1 3.0 -6.5 16.3 3 76 A S H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 110.7 44.4 -63.1 -44.8 6.5 -5.9 17.7 4 77 A S H > S+ 0 0 50 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.933 113.9 50.2 -69.7 -43.6 8.1 -9.0 16.2 5 78 A Q H X S+ 0 0 53 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.926 109.9 51.6 -56.3 -45.7 6.4 -8.5 12.9 6 79 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 5,-0.3 0.885 107.1 53.1 -58.0 -41.5 7.6 -4.9 12.9 7 80 A T H X S+ 0 0 70 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.903 110.5 47.6 -60.4 -41.1 11.2 -6.1 13.5 8 81 A L H X S+ 0 0 93 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.912 111.6 51.5 -66.4 -41.4 10.8 -8.4 10.5 9 82 A L H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.951 112.8 41.3 -62.5 -53.3 9.5 -5.6 8.4 10 83 A I H X S+ 0 0 18 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.888 114.7 54.3 -65.5 -36.5 12.2 -3.1 9.1 11 84 A G H X S+ 0 0 40 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.948 111.1 45.8 -56.2 -50.5 14.8 -5.9 8.8 12 85 A N H X S+ 0 0 23 -4,-2.9 4,-1.2 2,-0.2 5,-0.2 0.910 112.6 49.1 -59.7 -48.2 13.4 -6.7 5.4 13 86 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 3,-0.4 0.925 110.6 51.2 -58.9 -45.8 13.3 -3.1 4.2 14 87 A I H X S+ 0 0 48 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.870 100.5 65.2 -60.3 -39.1 16.9 -2.6 5.4 15 88 A Q H < S+ 0 0 131 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.890 119.3 20.3 -46.9 -50.9 18.0 -5.7 3.4 16 89 A I H < S+ 0 0 30 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.838 132.2 40.7 -90.9 -36.1 17.1 -4.1 0.1 17 90 A L H < S- 0 0 23 -4,-2.9 4,-0.3 -5,-0.2 -3,-0.2 0.623 104.1-119.0 -95.1 -17.2 17.1 -0.4 0.9 18 91 A G < - 0 0 32 -4,-2.4 4,-0.2 -5,-0.3 -3,-0.1 0.255 16.1-104.4 85.0 146.8 20.1 -0.0 3.2 19 92 A E S > S+ 0 0 130 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.737 110.8 67.4 -76.1 -26.2 20.1 1.2 6.8 20 93 A K G > S+ 0 0 178 1,-0.2 3,-0.9 2,-0.2 4,-0.2 0.917 101.9 46.0 -61.2 -45.3 21.5 4.6 6.1 21 94 A S G 3 S+ 0 0 89 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.586 119.1 43.2 -75.0 -7.6 18.4 5.8 4.2 22 95 A L G <> S+ 0 0 11 -3,-0.7 4,-3.0 -4,-0.2 -1,-0.2 0.224 73.4 113.5-123.8 11.6 16.2 4.4 6.9 23 96 A T H <> S+ 0 0 74 -3,-0.9 4,-2.0 -4,-0.3 5,-0.1 0.853 79.0 52.5 -53.1 -38.7 18.0 5.5 10.1 24 97 A A H > S+ 0 0 51 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 111.6 43.9 -68.4 -46.4 15.1 7.8 11.0 25 98 A L H > S+ 0 0 3 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.935 111.8 55.2 -62.0 -45.7 12.4 5.2 10.7 26 99 A T H X S+ 0 0 44 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.875 110.0 46.9 -52.6 -41.7 14.8 2.8 12.6 27 100 A N H X S+ 0 0 109 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.901 109.7 51.9 -71.1 -42.5 14.9 5.3 15.4 28 101 A K H X S+ 0 0 66 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.912 107.8 53.7 -58.9 -41.3 11.2 5.9 15.4 29 102 A I H X S+ 0 0 8 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.873 105.4 53.0 -61.8 -40.1 10.7 2.1 15.7 30 103 A T H X S+ 0 0 84 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.930 109.9 48.5 -59.6 -45.2 13.0 2.0 18.7 31 104 A A H X S+ 0 0 61 -4,-1.9 4,-3.1 1,-0.2 5,-0.2 0.943 110.5 51.0 -59.5 -49.5 10.9 4.7 20.4 32 105 A W H X S+ 0 0 15 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.900 109.7 49.9 -53.2 -47.8 7.7 2.9 19.6 33 106 A K H X S+ 0 0 58 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.921 112.1 48.5 -58.2 -46.7 9.1 -0.4 21.1 34 107 A S H X S+ 0 0 79 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.932 111.7 48.0 -60.3 -51.4 10.1 1.5 24.2 35 108 A Q H X S+ 0 0 75 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.919 109.4 54.1 -54.6 -48.2 6.7 3.2 24.6 36 109 A Q H X S+ 0 0 17 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.884 109.4 48.3 -55.1 -40.9 5.0 -0.1 24.1 37 110 A Q H X S+ 0 0 120 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.876 112.8 46.8 -71.3 -37.7 7.0 -1.6 26.9 38 111 A A H X S+ 0 0 56 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.916 111.4 51.9 -67.0 -42.7 6.3 1.3 29.3 39 112 A R H X S+ 0 0 52 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.854 109.3 50.6 -62.2 -34.4 2.6 1.1 28.4 40 113 A Q H X S+ 0 0 105 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.875 109.2 51.2 -71.5 -38.1 2.6 -2.6 29.2 41 114 A Q H X S+ 0 0 97 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.937 113.5 44.3 -58.2 -51.9 4.3 -1.9 32.6 42 115 A K H X S+ 0 0 40 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.957 110.1 55.3 -59.8 -53.7 1.7 0.7 33.5 43 116 A N H X S+ 0 0 61 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.883 111.8 43.1 -46.0 -48.7 -1.2 -1.4 32.3 44 117 A L H X S+ 0 0 121 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.890 115.6 48.6 -65.8 -42.0 -0.1 -4.3 34.6 45 118 A E H X S+ 0 0 67 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.921 112.8 47.4 -64.8 -48.5 0.6 -2.1 37.5 46 119 A F H X S+ 0 0 2 -4,-3.3 4,-2.9 1,-0.2 5,-0.2 0.884 110.1 53.4 -60.5 -44.1 -2.7 -0.2 37.2 47 120 A S H X S+ 0 0 33 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.920 110.9 45.6 -58.9 -45.8 -4.7 -3.5 36.9 48 121 A D H X S+ 0 0 103 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.925 115.0 47.5 -64.2 -45.1 -3.2 -4.9 40.1 49 122 A K H X S+ 0 0 41 -4,-2.2 4,-3.4 1,-0.2 5,-0.2 0.880 110.0 51.4 -65.4 -45.3 -3.7 -1.7 42.0 50 123 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.893 110.2 50.9 -56.5 -42.7 -7.3 -1.3 40.8 51 124 A N H X S+ 0 0 60 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.896 112.9 45.8 -63.4 -41.5 -8.0 -4.9 41.9 52 125 A T H X S+ 0 0 62 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.964 113.2 48.0 -65.0 -52.8 -6.5 -4.1 45.3 53 126 A L H X S+ 0 0 0 -4,-3.4 4,-2.9 1,-0.2 -2,-0.2 0.915 113.2 50.0 -56.4 -43.9 -8.4 -0.8 45.7 54 127 A L H X S+ 0 0 8 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.948 113.0 43.8 -58.2 -55.7 -11.6 -2.6 44.7 55 128 A S H X S+ 0 0 70 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.916 115.6 49.6 -57.5 -45.1 -11.2 -5.5 47.1 56 129 A E H X S+ 0 0 73 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.898 109.6 51.7 -60.1 -44.0 -10.2 -3.0 49.9 57 130 A T H X S+ 0 0 0 -4,-2.9 4,-1.8 -5,-0.3 -1,-0.2 0.891 109.0 50.4 -60.7 -41.3 -13.2 -0.8 49.1 58 131 A E H X S+ 0 0 80 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.878 110.2 49.9 -65.2 -39.5 -15.5 -3.8 49.4 59 132 A G H X S+ 0 0 17 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.936 112.4 46.6 -63.2 -47.4 -14.0 -4.8 52.7 60 133 A L H X S+ 0 0 22 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.790 108.9 56.0 -66.7 -29.3 -14.4 -1.3 54.1 61 134 A T H X S+ 0 0 14 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.937 108.6 47.0 -67.5 -45.9 -17.9 -1.1 52.8 62 135 A R H X S+ 0 0 151 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.889 112.9 50.1 -58.9 -40.6 -18.8 -4.3 54.7 63 136 A D H X S+ 0 0 76 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.907 109.2 51.5 -65.1 -43.5 -17.1 -2.8 57.8 64 137 A Y H X S+ 0 0 51 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.907 112.2 45.5 -58.0 -47.4 -19.0 0.4 57.5 65 138 A E H X S+ 0 0 116 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.898 112.1 51.4 -64.2 -46.0 -22.3 -1.4 57.3 66 139 A K H X S+ 0 0 124 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.898 113.3 45.2 -58.0 -42.4 -21.5 -3.7 60.2 67 140 A Q H X S+ 0 0 28 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.863 108.9 55.2 -71.7 -40.0 -20.5 -0.7 62.3 68 141 A I H X S+ 0 0 72 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.911 110.4 46.7 -57.6 -45.2 -23.6 1.4 61.3 69 142 A N H X S+ 0 0 78 -4,-2.3 4,-2.0 1,-0.2 3,-0.3 0.925 111.3 51.8 -62.0 -43.8 -25.8 -1.5 62.5 70 143 A K H X S+ 0 0 92 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.858 107.7 53.1 -57.7 -37.9 -23.8 -1.8 65.7 71 144 A L H X S+ 0 0 20 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.776 105.8 53.0 -72.2 -29.9 -24.3 2.0 66.3 72 145 A K H X S+ 0 0 130 -4,-1.4 4,-1.8 -3,-0.3 -2,-0.2 0.906 107.6 50.1 -70.8 -44.0 -28.1 1.6 65.9 73 146 A N H X S+ 0 0 86 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.867 109.6 54.2 -59.2 -33.6 -28.2 -1.1 68.5 74 147 A A H X S+ 0 0 11 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.906 105.7 49.5 -70.1 -42.2 -26.1 1.2 70.7 75 148 A D H X S+ 0 0 66 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.844 112.0 53.2 -63.7 -29.6 -28.6 4.1 70.4 76 149 A S H X S+ 0 0 65 -4,-1.8 4,-2.1 2,-0.2 5,-0.3 0.981 103.4 51.7 -64.2 -61.1 -31.2 1.5 71.3 77 150 A K H X S+ 0 0 126 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.833 114.4 47.8 -44.5 -36.8 -29.6 0.2 74.5 78 151 A I H X S+ 0 0 18 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.905 107.3 51.4 -75.9 -44.2 -29.4 3.9 75.5 79 152 A K H X S+ 0 0 145 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.757 114.0 48.9 -65.2 -19.9 -33.0 4.9 74.6 80 153 A D H X S+ 0 0 81 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.841 109.0 48.4 -87.4 -38.3 -34.0 1.8 76.7 81 154 A L H X S+ 0 0 11 -4,-1.8 4,-1.6 -5,-0.3 -2,-0.2 0.758 108.3 57.1 -71.1 -23.3 -31.8 2.7 79.7 82 155 A E H X S+ 0 0 89 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.847 106.7 50.1 -73.8 -34.0 -33.2 6.2 79.6 83 156 A N H X S+ 0 0 75 -4,-0.7 4,-3.4 2,-0.2 5,-0.3 0.950 108.1 49.8 -64.7 -52.9 -36.7 4.7 79.9 84 157 A K H X S+ 0 0 95 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.906 113.2 48.6 -55.3 -44.1 -35.9 2.5 82.9 85 158 A I H X S+ 0 0 10 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.894 114.2 44.0 -61.6 -45.0 -34.4 5.6 84.6 86 159 A N H X S+ 0 0 94 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.935 114.4 50.6 -68.9 -43.0 -37.3 7.8 83.9 87 160 A Q H X S+ 0 0 129 -4,-3.4 4,-2.5 1,-0.2 -2,-0.2 0.958 115.8 41.5 -52.1 -56.3 -39.8 5.1 84.8 88 161 A I H X S+ 0 0 12 -4,-2.9 4,-2.5 -5,-0.3 -2,-0.2 0.886 112.6 54.7 -64.0 -38.0 -38.0 4.6 88.1 89 162 A Q H X S+ 0 0 89 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.932 110.1 46.2 -63.2 -45.4 -37.5 8.3 88.7 90 163 A T H X S+ 0 0 77 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.929 112.9 50.8 -57.5 -47.5 -41.2 8.9 88.3 91 164 A R H < S+ 0 0 135 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.846 109.8 50.4 -60.6 -34.4 -41.9 5.9 90.6 92 165 A L H >< S+ 0 0 27 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.805 105.8 55.4 -75.0 -31.9 -39.4 7.3 93.2 93 166 A S H 3< S+ 0 0 90 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.923 107.9 47.7 -64.8 -43.1 -41.1 10.8 93.2 94 167 A E T 3< S+ 0 0 153 -4,-1.7 2,-0.4 -5,-0.1 -1,-0.2 0.445 90.3 124.8 -81.1 3.4 -44.5 9.4 94.0 95 168 A L S < S- 0 0 26 -3,-0.7 -3,-0.1 -5,-0.1 -4,-0.0 -0.474 78.4-100.9 -72.6 118.8 -42.8 7.3 96.8 96 169 A D - 0 0 104 -2,-0.4 6,-0.2 1,-0.1 -1,-0.1 -0.152 45.7-112.9 -27.7 120.7 -44.1 7.6 100.4 97 170 A P S S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.773 106.4 29.4 -48.6 -44.2 -41.4 9.9 101.7 98 171 A E S S+ 0 0 142 4,-0.0 -3,-0.1 3,-0.0 -2,-0.0 0.906 89.8 169.6 -36.3 -88.8 -40.0 7.2 104.0 99 172 A S >> - 0 0 17 3,-0.1 4,-0.6 4,-0.0 3,-0.5 0.921 48.2-130.7-113.7-173.7 -40.7 4.4 102.5 100 173 A P T 34 S+ 0 0 133 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.828 111.0 37.5 -65.1 -24.1 -39.7 0.8 102.9 101 174 A E T 3> S+ 0 0 88 1,-0.1 4,-2.0 2,-0.1 5,-0.2 0.478 90.3 88.4-103.7 -5.7 -38.8 0.4 99.2 102 175 A K H <> S+ 0 0 87 -3,-0.5 4,-2.4 1,-0.2 5,-0.2 0.926 84.3 58.0 -58.2 -45.9 -37.2 3.8 98.5 103 176 A K H X S+ 0 0 154 -4,-0.6 4,-1.3 1,-0.2 -1,-0.2 0.880 109.2 44.2 -53.8 -41.9 -33.7 2.6 99.5 104 177 A K H > S+ 0 0 125 -4,-0.2 4,-1.4 -3,-0.2 3,-0.4 0.943 111.8 49.4 -73.4 -50.5 -33.7 -0.2 97.0 105 178 A L H X S+ 0 0 9 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.876 108.0 56.7 -53.9 -40.2 -35.1 1.8 94.0 106 179 A S H X S+ 0 0 43 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.891 107.1 48.8 -60.1 -38.5 -32.5 4.4 94.7 107 180 A R H X S+ 0 0 116 -4,-1.3 4,-1.0 -3,-0.4 -1,-0.2 0.749 109.9 51.7 -70.9 -27.5 -29.8 1.7 94.4 108 181 A E H X S+ 0 0 84 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.787 107.5 52.9 -77.8 -30.9 -31.3 0.5 91.1 109 182 A E H X S+ 0 0 42 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.816 106.4 51.4 -74.8 -31.1 -31.3 4.0 89.7 110 183 A I H X S+ 0 0 93 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.850 112.3 49.3 -71.4 -30.8 -27.6 4.5 90.5 111 184 A Q H X S+ 0 0 91 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.919 109.7 47.8 -73.2 -43.9 -27.0 1.2 88.7 112 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4,-0.2 0, 0.0 -2,-0.1 -0.945 122.2 11.0 -79.2 -5.9 34.5 -17.5 -50.1 253 174 B E S > S+ 0 0 95 2,-0.1 4,-2.2 1,-0.1 5,-0.2 0.368 103.0 93.0-114.2 0.9 33.6 -17.4 -46.4 254 175 B K H > S+ 0 0 63 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.934 86.8 53.7 -53.8 -45.4 33.3 -13.7 -46.0 255 176 B K H > S+ 0 0 173 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.869 109.4 45.2 -60.2 -41.7 29.6 -13.9 -46.8 256 177 B K H > S+ 0 0 131 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.879 115.5 47.3 -73.0 -37.2 28.9 -16.5 -44.1 257 178 B L H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.910 111.9 50.6 -67.7 -43.1 30.9 -14.7 -41.5 258 179 B S H X S+ 0 0 38 -4,-3.1 4,-1.8 -5,-0.2 -2,-0.2 0.912 111.6 47.9 -58.8 -44.3 29.2 -11.4 -42.4 259 180 B R H X S+ 0 0 167 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.940 111.4 51.1 -61.8 -46.6 25.8 -13.1 -42.1 260 181 B E H X S+ 0 0 89 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.900 108.8 50.6 -56.9 -44.6 26.9 -14.6 -38.8 261 182 B E H X S+ 0 0 42 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.831 109.7 51.5 -66.3 -32.1 28.0 -11.2 -37.5 262 183 B I H X S+ 0 0 92 -4,-1.8 4,-2.0 -3,-0.2 -1,-0.2 0.889 109.8 48.6 -69.5 -40.9 24.7 -9.7 -38.5 263 184 B Q H X S+ 0 0 63 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.951 112.1 49.1 -61.7 -52.1 22.7 -12.4 -36.7 264 185 B L H X S+ 0 0 9 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.902 109.4 52.1 -53.5 -46.3 24.8 -12.0 -33.5 265 186 B T H X S+ 0 0 43 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.899 109.1 49.4 -63.5 -40.7 24.3 -8.2 -33.6 266 187 B I H X S+ 0 0 102 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.951 113.1 46.9 -59.8 -50.9 20.5 -8.5 -33.9 267 188 B K H X S+ 0 0 119 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.945 112.5 49.7 -53.7 -53.8 20.4 -11.0 -30.9 268 189 B K H X S+ 0 0 44 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.883 111.5 49.1 -54.4 -43.5 22.7 -8.8 -28.8 269 190 B D H X S+ 0 0 71 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.876 112.3 47.0 -67.3 -37.7 20.6 -5.7 -29.6 270 191 B A H X S+ 0 0 50 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.856 111.7 53.2 -66.7 -37.8 17.4 -7.6 -28.7 271 192 B A H X S+ 0 0 5 -4,-2.7 4,-2.3 2,-0.2 3,-0.3 0.941 106.6 51.1 -64.0 -50.6 19.2 -8.8 -25.5 272 193 B V H X S+ 0 0 52 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.901 108.9 51.1 -51.6 -47.5 20.1 -5.3 -24.5 273 194 B K H X S+ 0 0 146 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.828 108.4 52.5 -62.3 -33.5 16.4 -4.2 -24.9 274 195 B D H X S+ 0 0 89 -4,-1.6 4,-2.7 -3,-0.3 -1,-0.2 0.889 106.7 53.7 -65.2 -42.1 15.4 -7.1 -22.7 275 196 B R H X S+ 0 0 65 -4,-2.3 4,-3.5 1,-0.2 -2,-0.2 0.941 105.4 52.5 -56.3 -51.2 17.9 -5.9 -20.1 276 197 B T H X S+ 0 0 68 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.915 109.1 50.1 -52.5 -47.5 16.3 -2.4 -20.2 277 198 B L H X S+ 0 0 116 -4,-1.7 4,-2.3 1,-0.2 3,-0.2 0.969 113.7 44.8 -56.8 -54.8 12.9 -3.9 -19.5 278 199 B I H X S+ 0 0 21 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.914 110.9 54.9 -51.6 -46.6 14.2 -6.0 -16.6 279 200 B E H X S+ 0 0 73 -4,-3.5 4,-2.2 1,-0.2 -1,-0.2 0.892 108.5 47.7 -59.1 -40.4 16.1 -3.0 -15.3 280 201 B Q H X S+ 0 0 105 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.900 108.5 54.0 -67.8 -43.1 13.0 -0.9 -15.2 281 202 B K H X S+ 0 0 102 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.933 108.6 50.8 -50.6 -51.1 11.0 -3.6 -13.5 282 203 B T H X S+ 0 0 11 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.927 110.6 47.7 -54.6 -50.1 13.8 -3.6 -10.9 283 204 B L H X S+ 0 0 89 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.909 110.6 52.8 -59.8 -40.2 13.5 0.1 -10.4 284 205 B S H X S+ 0 0 54 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.875 112.2 44.9 -60.5 -40.4 9.7 -0.1 -10.2 285 206 B I H X S+ 0 0 12 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.930 112.2 49.2 -73.6 -47.1 10.0 -2.7 -7.5 286 207 B H H X S+ 0 0 64 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.877 109.9 56.0 -55.7 -38.4 12.7 -0.9 -5.5 287 208 B S H X S+ 0 0 63 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.883 107.9 45.7 -62.6 -42.7 10.4 2.1 -5.8 288 209 B K H X S+ 0 0 100 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.826 108.8 55.9 -71.7 -35.4 7.5 0.3 -4.2 289 210 B L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.906 107.4 50.0 -59.3 -44.2 9.7 -1.0 -1.5 290 211 B T H X S+ 0 0 45 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.905 105.7 56.9 -60.7 -43.7 10.6 2.6 -0.7 291 212 B D H X S+ 0 0 69 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.919 105.1 52.0 -49.6 -47.6 6.8 3.3 -0.7 292 213 B K H X S+ 0 0 30 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.906 104.7 54.4 -60.3 -45.4 6.4 0.7 2.0 293 214 B S H X S+ 0 0 9 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.940 112.9 44.3 -51.0 -48.1 9.1 2.2 4.2 294 215 B M H X S+ 0 0 104 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.856 110.6 52.8 -68.6 -39.0 7.3 5.6 4.0 295 216 B Q H X S+ 0 0 60 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.914 111.7 48.6 -56.9 -45.9 3.9 4.0 4.6 296 217 B L H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.886 108.1 51.8 -63.8 -44.1 5.4 2.4 7.7 297 218 B E H X S+ 0 0 55 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.906 109.7 51.5 -59.5 -40.4 6.9 5.6 8.9 298 219 B K H X S+ 0 0 142 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.878 109.9 49.0 -63.8 -39.0 3.5 7.2 8.5 299 220 B E H < S+ 0 0 31 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.931 113.7 46.2 -65.4 -45.2 1.9 4.4 10.6 300 221 B I H >< S+ 0 0 13 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.946 112.0 49.1 -64.0 -50.6 4.5 4.8 13.3 301 222 B D H 3< S+ 0 0 93 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.845 109.0 55.4 -55.4 -35.6 4.3 8.6 13.5 302 223 B S T 3< 0 0 61 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.055 360.0 360.0 -88.0 27.2 0.5 8.2 13.7 303 224 B F < 0 0 48 -3,-1.7 -2,-0.1 -105,-0.0 -1,-0.1 0.817 360.0 360.0-103.8 360.0 0.7 6.0 16.7