==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 24-OCT-07 3B4Q . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE NCTC . AUTHOR K.TAN,N.MALTSEVA,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR . 177 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 73.4 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 . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 57.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 2 0 0 3 1 2 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 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 1 117 A L > 0 0 170 0, 0.0 3,-2.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 60.3 -3.2 12.9 15.8 2 118 A N T 3 + 0 0 168 1,-0.3 4,-0.1 4,-0.0 0, 0.0 0.711 360.0 48.8 -74.6 -10.9 -4.1 12.1 19.3 3 119 A S T 3 S+ 0 0 129 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.476 92.5 103.3 -89.5 -1.3 -6.2 8.9 19.0 4 120 A A S < S- 0 0 34 -3,-2.1 2,-0.2 1,-0.1 0, 0.0 -0.437 85.1-100.4 -75.7 152.1 -3.5 7.4 16.8 5 121 A P - 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.533 37.6-140.3 -66.8 137.9 -1.1 4.8 18.2 6 122 A T >> - 0 0 50 -2,-0.2 4,-2.3 -4,-0.1 3,-0.7 -0.488 29.9 -98.2 -89.5 164.8 2.2 6.3 19.0 7 123 A P H 3> S+ 0 0 4 0, 0.0 4,-1.9 0, 0.0 16,-0.1 0.902 126.1 58.3 -50.8 -38.7 5.5 4.5 18.3 8 124 A R H 34 S+ 0 0 119 1,-0.2 15,-0.1 2,-0.2 14,-0.1 0.867 107.2 47.0 -59.9 -34.9 5.6 3.4 22.0 9 125 A D H X4 S+ 0 0 96 -3,-0.7 3,-1.6 1,-0.2 -1,-0.2 0.892 107.6 56.6 -71.3 -42.7 2.2 1.7 21.4 10 126 A V H 3< S+ 0 0 32 -4,-2.3 3,-0.4 1,-0.3 -2,-0.2 0.856 112.7 40.8 -56.1 -37.8 3.4 0.0 18.2 11 127 A V T >< S+ 0 0 1 -4,-1.9 3,-2.0 -5,-0.2 -1,-0.3 0.127 75.4 122.3-101.7 25.2 6.3 -1.6 20.1 12 128 A A T < S+ 0 0 54 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.772 84.9 36.8 -50.9 -32.1 4.3 -2.5 23.2 13 129 A N T 3 S+ 0 0 159 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.210 97.1 109.0-109.1 13.3 5.3 -6.2 22.7 14 130 A A S < S- 0 0 11 -3,-2.0 5,-0.1 1,-0.2 -3,-0.0 -0.352 80.8 -74.8 -86.3 165.2 8.9 -5.6 21.4 15 131 A P >> - 0 0 34 0, 0.0 4,-2.3 0, 0.0 3,-1.1 -0.238 48.6-107.1 -55.6 152.5 12.1 -6.4 23.2 16 132 A A H 3> S+ 0 0 73 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.855 117.9 54.3 -50.8 -47.4 13.1 -4.1 26.0 17 133 A P H 3> S+ 0 0 66 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.828 108.6 50.6 -60.6 -29.9 15.9 -2.4 24.1 18 134 A V H <> S+ 0 0 0 -3,-1.1 4,-2.6 2,-0.2 5,-0.3 0.938 110.6 49.2 -69.4 -46.5 13.5 -1.6 21.2 19 135 A Q H X S+ 0 0 79 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.903 111.9 49.6 -58.0 -41.4 11.0 -0.1 23.8 20 136 A A H X S+ 0 0 61 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.933 110.8 47.4 -64.2 -46.8 13.9 2.0 25.3 21 137 A A H X S+ 0 0 18 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.935 116.4 44.7 -64.6 -41.3 15.1 3.4 22.0 22 138 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.919 111.1 53.0 -69.7 -41.0 11.5 4.3 20.9 23 139 A A H X S+ 0 0 16 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.908 109.0 49.8 -58.2 -46.8 10.6 5.8 24.3 24 140 A G H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.907 112.9 46.8 -60.1 -43.8 13.7 8.1 24.3 25 141 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 -5,-0.2 5,-0.2 0.925 112.4 48.8 -64.6 -44.4 12.8 9.3 20.8 26 142 A Q H X S+ 0 0 32 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.918 113.3 47.9 -65.3 -38.0 9.2 9.9 21.5 27 143 A E H X S+ 0 0 96 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.940 115.7 43.4 -64.8 -52.1 10.1 11.8 24.7 28 144 A Y H X S+ 0 0 12 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.917 110.3 55.6 -63.7 -43.2 12.7 14.0 23.0 29 145 A A H X>S+ 0 0 2 -4,-2.9 5,-1.5 -5,-0.2 4,-1.2 0.894 108.9 48.3 -57.4 -39.3 10.5 14.6 19.9 30 146 A A H <5S+ 0 0 79 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.921 114.6 45.5 -66.6 -42.3 7.8 16.0 22.1 31 147 A Q H <5S+ 0 0 155 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.899 121.9 35.4 -65.3 -46.7 10.2 18.3 24.0 32 148 A A H <5S- 0 0 18 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.465 107.1-116.4 -92.4 -4.7 12.0 19.6 21.0 33 149 A G T <5 + 0 0 38 -4,-1.2 -3,-0.2 -5,-0.3 2,-0.2 0.801 64.7 143.3 72.4 30.9 9.1 19.8 18.5 34 150 A L < - 0 0 30 -5,-1.5 2,-0.6 -6,-0.3 -1,-0.2 -0.488 63.7 -80.6 -97.7 168.8 10.5 17.2 16.1 35 151 A N > - 0 0 93 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 -0.625 38.2-154.3 -74.2 118.0 8.6 14.6 14.1 36 152 A T H > S+ 0 0 45 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.885 89.6 46.5 -61.2 -48.4 7.9 11.7 16.5 37 153 A E H > S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 113.7 48.4 -64.9 -42.8 7.7 8.9 13.9 38 154 A E H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.926 113.6 46.6 -64.5 -44.4 10.8 10.0 12.0 39 155 A L H X S+ 0 0 9 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.907 112.5 50.5 -63.7 -41.0 12.8 10.3 15.3 40 156 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.905 109.4 50.2 -65.1 -41.4 11.6 6.9 16.4 41 157 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.961 113.1 47.2 -58.2 -48.9 12.5 5.3 13.1 42 158 A D H X S+ 0 0 22 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.919 113.1 48.4 -58.5 -46.1 16.0 6.8 13.3 43 159 A A H X S+ 0 0 4 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.913 114.7 44.7 -62.8 -42.6 16.4 5.7 17.0 44 160 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.924 111.9 51.5 -72.1 -41.0 15.3 2.1 16.3 45 161 A Y H X S+ 0 0 8 -4,-2.9 4,-2.2 -5,-0.3 -2,-0.2 0.948 111.8 48.5 -58.1 -43.4 17.4 1.8 13.2 46 162 A N H X S+ 0 0 22 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.926 107.5 54.4 -64.8 -38.4 20.4 3.0 15.2 47 163 A A H X S+ 0 0 20 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.883 107.4 50.8 -61.2 -40.0 19.6 0.5 18.0 48 164 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.933 111.0 48.9 -61.3 -46.1 19.7 -2.3 15.4 49 165 A K H X S+ 0 0 82 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.922 110.6 50.4 -59.3 -44.7 23.0 -1.1 14.1 50 166 A V H X S+ 0 0 93 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.907 110.8 49.2 -59.8 -43.5 24.5 -0.9 17.7 51 167 A R H < S+ 0 0 131 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.868 114.0 46.0 -66.2 -36.9 23.3 -4.4 18.5 52 168 A L H < S+ 0 0 55 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.811 104.8 59.5 -76.9 -32.8 24.9 -5.7 15.2 53 169 A A H < 0 0 86 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.901 360.0 360.0 -58.7 -40.5 28.2 -3.9 15.7 54 170 A G < 0 0 105 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.598 360.0 360.0 -46.5 360.0 28.7 -5.8 18.9 55 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 56 174 A G 0 0 98 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.8 27.6 -4.9 9.2 57 175 A I - 0 0 55 1,-0.1 5,-0.1 2,-0.0 -8,-0.1 -0.652 360.0-117.8 -76.7 119.9 24.0 -3.9 8.6 58 176 A P >> - 0 0 54 0, 0.0 4,-1.6 0, 0.0 3,-0.9 -0.305 21.7-123.3 -58.2 137.1 22.2 -6.4 6.4 59 177 A P H 3> S+ 0 0 112 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.823 108.5 60.9 -51.4 -33.2 21.2 -4.6 3.1 60 178 A Q H 3> S+ 0 0 126 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.890 103.7 49.3 -64.9 -39.5 17.5 -5.6 3.7 61 179 A I H <> S+ 0 0 4 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.934 111.2 48.8 -67.1 -43.7 17.3 -3.6 6.9 62 180 A E H X S+ 0 0 67 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.893 111.2 51.9 -56.0 -41.7 18.9 -0.5 5.3 63 181 A A H X S+ 0 0 53 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.934 108.3 49.1 -66.7 -43.8 16.4 -0.9 2.5 64 182 A F H X S+ 0 0 67 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.826 109.3 53.8 -65.7 -29.8 13.4 -1.0 4.8 65 183 A Y H >< S+ 0 0 26 -4,-2.0 3,-1.3 2,-0.2 -2,-0.2 0.963 111.4 44.6 -62.0 -51.4 14.8 2.0 6.7 66 184 A Q H >< S+ 0 0 95 -4,-2.4 3,-0.6 1,-0.3 -2,-0.2 0.834 113.1 51.7 -66.8 -29.1 14.9 4.0 3.4 67 185 A A H 3< S+ 0 0 73 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.565 121.0 32.2 -80.0 -10.8 11.5 2.7 2.4 68 186 A N T X< + 0 0 26 -3,-1.3 3,-0.7 -4,-0.5 7,-0.3 -0.120 68.4 140.5-139.3 43.6 9.9 3.8 5.7 69 187 A R T < S+ 0 0 82 -3,-0.6 -27,-0.2 1,-0.3 -28,-0.2 0.784 86.6 23.7 -64.2 -29.5 11.7 6.9 6.9 70 188 A T T 3 S+ 0 0 93 1,-0.1 2,-0.7 -29,-0.1 -1,-0.3 0.322 106.9 83.4-118.1 4.0 8.6 8.7 8.2 71 189 A N <> - 0 0 72 -3,-0.7 4,-2.6 1,-0.2 5,-0.2 -0.844 50.8-179.5-119.3 92.8 6.3 5.7 8.8 72 190 A F H > S+ 0 0 1 -2,-0.7 4,-3.0 2,-0.2 5,-0.3 0.937 82.6 46.8 -62.0 -50.3 7.0 4.1 12.2 73 191 A N H > S+ 0 0 85 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.934 114.7 49.1 -58.8 -41.9 4.5 1.3 12.0 74 192 A G H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.915 112.5 47.5 -64.3 -41.8 5.6 0.4 8.5 75 193 A F H X S+ 0 0 0 -4,-2.6 4,-1.9 -7,-0.3 -2,-0.2 0.935 114.4 45.5 -64.9 -46.2 9.3 0.4 9.5 76 194 A Y H < S+ 0 0 14 -4,-3.0 4,-0.5 2,-0.2 -2,-0.2 0.941 114.5 47.6 -64.8 -45.4 8.8 -1.7 12.6 77 195 A X H >< S+ 0 0 104 -4,-2.8 3,-1.0 -5,-0.3 4,-0.4 0.920 111.5 51.0 -64.5 -39.7 6.5 -4.2 10.8 78 196 A A H 3< S+ 0 0 34 -4,-2.4 3,-0.3 -5,-0.2 -1,-0.2 0.871 120.6 34.3 -64.2 -37.4 9.0 -4.5 7.9 79 197 A N T 3X S+ 0 0 1 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.263 86.1 107.7-102.8 14.1 11.9 -5.2 10.2 80 198 A R H <> S+ 0 0 102 -3,-1.0 4,-2.5 -4,-0.5 -1,-0.2 0.885 79.8 48.4 -64.4 -40.0 10.0 -7.1 12.9 81 199 A G H > S+ 0 0 51 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.910 112.7 49.5 -65.4 -42.7 11.5 -10.5 11.9 82 200 A A H > S+ 0 0 23 -4,-0.2 4,-3.2 2,-0.2 5,-0.3 0.926 111.6 48.9 -57.1 -45.8 15.0 -8.9 12.0 83 201 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.921 108.3 53.5 -62.4 -42.2 14.3 -7.4 15.4 84 202 A D H < S+ 0 0 78 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.891 116.1 40.1 -61.2 -39.6 13.1 -10.7 16.7 85 203 A F H >< S+ 0 0 162 -4,-2.0 3,-0.9 -5,-0.2 -2,-0.2 0.947 116.9 46.0 -71.7 -49.6 16.4 -12.3 15.6 86 204 A I H 3< S+ 0 0 16 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.819 121.6 36.6 -71.5 -31.7 18.8 -9.6 16.5 87 205 A F T 3< 0 0 24 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.387 360.0 360.0-100.6 9.1 17.4 -8.9 20.0 88 206 A S < 0 0 131 -3,-0.9 -3,-0.1 -4,-0.3 -4,-0.1 0.216 360.0 360.0 -38.1 360.0 16.4 -12.5 21.0 89 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 90 118 B N 0 0 211 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.5 39.2 15.4 19.6 91 119 B S - 0 0 102 1,-0.2 3,-0.1 0, 0.0 0, 0.0 -0.532 360.0 -74.9 -86.6 169.6 36.4 15.8 17.1 92 120 B A S S- 0 0 79 -2,-0.2 -1,-0.2 1,-0.2 0, 0.0 -0.096 75.5 -62.6 -54.9 165.8 35.7 19.3 15.7 93 121 B P - 0 0 92 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.298 61.6-125.4 -58.6 139.5 34.0 21.8 18.0 94 122 B T > - 0 0 50 -3,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.328 23.1-102.6 -81.9 164.7 30.5 20.6 19.0 95 123 B P H > S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.925 125.7 53.4 -53.6 -40.2 27.3 22.6 18.5 96 124 B R H 4 S+ 0 0 93 1,-0.2 4,-0.3 2,-0.2 15,-0.1 0.917 109.2 49.7 -64.0 -34.6 27.3 23.4 22.2 97 125 B D H >4 S+ 0 0 101 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.909 109.1 52.9 -60.5 -44.1 30.9 24.7 21.8 98 126 B V H 3< S+ 0 0 32 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.843 116.7 37.8 -60.0 -35.5 29.7 26.8 18.8 99 127 B V T >< S+ 0 0 0 -4,-1.9 3,-2.0 -5,-0.2 -1,-0.2 0.194 76.2 123.4-104.1 15.1 26.9 28.4 20.9 100 128 B A T < S+ 0 0 51 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.746 86.3 29.9 -52.3 -30.5 28.8 28.8 24.2 101 129 B N T 3 S+ 0 0 167 -3,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.236 96.9 112.1-114.1 14.6 28.1 32.6 24.4 102 130 B A S < S- 0 0 9 -3,-2.0 5,-0.1 1,-0.2 -3,-0.0 -0.291 84.6 -66.1 -75.0 168.1 24.8 32.7 22.5 103 131 B P >> - 0 0 27 0, 0.0 4,-1.9 0, 0.0 3,-1.2 -0.217 53.6-108.0 -52.8 146.2 21.5 33.6 24.2 104 132 B A H 3> S+ 0 0 71 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.828 117.3 57.2 -43.2 -48.3 20.4 31.1 26.7 105 133 B P H 3> S+ 0 0 41 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.840 106.3 51.0 -62.1 -27.6 17.5 29.7 24.6 106 134 B V H <> S+ 0 0 0 -3,-1.2 4,-2.2 2,-0.2 5,-0.2 0.946 111.1 47.7 -68.9 -45.2 20.0 28.9 21.8 107 135 B Q H X S+ 0 0 44 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.879 111.4 52.0 -61.4 -37.1 22.2 27.1 24.3 108 136 B A H X S+ 0 0 64 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.928 109.1 48.3 -66.6 -45.9 19.1 25.2 25.7 109 137 B A H X S+ 0 0 18 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.933 116.6 42.8 -61.7 -44.0 18.0 24.0 22.3 110 138 B V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.897 111.4 54.8 -71.0 -37.4 21.4 22.8 21.4 111 139 B A H X S+ 0 0 15 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.908 107.2 50.9 -60.7 -44.1 22.1 21.2 24.8 112 140 B G H X S+ 0 0 21 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.886 111.6 47.5 -61.7 -41.3 18.9 19.2 24.6 113 141 B A H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.886 111.9 50.0 -66.7 -39.8 19.9 17.9 21.1 114 142 B Q H X S+ 0 0 49 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.933 111.5 48.0 -65.5 -44.7 23.4 17.0 22.3 115 143 B E H X S+ 0 0 137 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.901 115.5 44.9 -59.8 -44.5 22.1 15.1 25.4 116 144 B Y H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.932 110.7 52.2 -70.6 -44.8 19.6 13.2 23.3 117 145 B A H X>S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 5,-1.2 0.877 111.8 48.7 -57.7 -36.5 22.1 12.4 20.5 118 146 B A H <5S+ 0 0 86 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.907 110.9 49.5 -67.7 -46.8 24.5 11.1 23.3 119 147 B Q H <5S+ 0 0 113 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.900 125.7 28.3 -50.8 -45.5 21.6 8.9 24.8 120 148 B A H <5S- 0 0 20 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.666 99.3-115.8-101.6 -22.8 20.8 7.5 21.4 121 149 B G T <5 + 0 0 44 -4,-2.6 -3,-0.2 -5,-0.2 2,-0.1 0.828 64.2 140.9 84.1 37.1 23.8 7.4 18.9 122 150 B L < - 0 0 35 -5,-1.2 2,-0.8 -6,-0.1 -1,-0.2 -0.422 64.7 -74.8-105.0 179.3 22.5 9.8 16.4 123 151 B N > - 0 0 84 1,-0.2 4,-2.2 -2,-0.1 5,-0.2 -0.692 38.3-158.4 -80.0 109.7 24.1 12.6 14.3 124 152 B T H > S+ 0 0 48 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.878 88.6 52.1 -55.1 -43.8 24.7 15.5 16.8 125 153 B E H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.919 110.1 46.8 -59.8 -50.6 24.9 18.1 14.0 126 154 B E H > S+ 0 0 51 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.912 114.6 46.0 -60.3 -46.6 21.6 17.1 12.4 127 155 B L H X S+ 0 0 9 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.897 112.4 51.2 -67.2 -40.3 19.7 17.0 15.6 128 156 B A H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.918 110.8 48.4 -63.6 -42.7 21.2 20.3 16.8 129 157 B V H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.957 114.6 46.5 -57.0 -50.5 20.2 22.0 13.5 130 158 B D H X S+ 0 0 21 -4,-2.7 4,-2.4 29,-0.2 -2,-0.2 0.904 113.1 47.7 -60.3 -43.8 16.7 20.6 13.8 131 159 B A H X S+ 0 0 5 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.919 114.7 45.9 -65.3 -42.8 16.3 21.6 17.4 132 160 B L H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.927 111.8 51.9 -67.1 -42.2 17.5 25.1 16.8 133 161 B Y H X S+ 0 0 14 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.933 111.4 46.2 -60.2 -44.4 15.4 25.5 13.8 134 162 B N H X S+ 0 0 36 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.887 109.1 55.1 -67.2 -34.1 12.3 24.4 15.6 135 163 B A H X S+ 0 0 27 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.905 109.3 48.1 -65.3 -39.5 13.1 26.6 18.6 136 164 B I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.949 110.7 51.1 -60.3 -48.7 13.2 29.6 16.2 137 165 B K H X S+ 0 0 94 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.916 112.9 46.0 -54.9 -46.8 9.9 28.6 14.5 138 166 B V H X S+ 0 0 93 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.904 112.1 49.2 -66.5 -46.2 8.2 28.4 17.9 139 167 B R H < S+ 0 0 98 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.918 116.4 43.8 -58.0 -45.5 9.6 31.7 19.2 140 168 B L H ><>S+ 0 0 6 -4,-2.9 3,-2.4 1,-0.2 5,-1.9 0.955 109.7 53.3 -66.2 -51.3 8.5 33.5 16.0 141 169 B A H ><5S+ 0 0 63 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.778 97.0 69.7 -57.1 -28.3 5.1 31.9 15.7 142 170 B G T 3<5S+ 0 0 67 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.485 106.0 38.8 -67.6 -4.8 4.4 33.1 19.3 143 171 B T T < 5S- 0 0 92 -3,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.029 126.2 -95.9-134.2 23.3 4.3 36.6 18.0 144 172 B G T < 5S+ 0 0 72 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.502 83.5 129.5 79.6 9.1 2.5 35.9 14.7 145 173 B L < - 0 0 95 -5,-1.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.690 45.7-144.7-101.6 148.9 5.6 35.7 12.6 146 174 B G - 0 0 58 -2,-0.3 -1,-0.0 -3,-0.1 0, 0.0 -0.470 39.8 -82.1 -93.9 171.0 6.8 33.1 10.2 147 175 B I - 0 0 33 -2,-0.2 -1,-0.1 1,-0.1 -10,-0.0 -0.623 51.9-116.0 -67.5 124.5 10.3 31.9 9.5 148 176 B P >> - 0 0 56 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.457 23.7-119.1 -63.1 140.9 11.8 34.3 7.1 149 177 B P H 3> S+ 0 0 109 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.779 112.1 59.6 -52.6 -29.7 12.5 32.5 3.7 150 178 B Q H 3> S+ 0 0 136 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.886 107.8 43.6 -66.3 -40.1 16.3 33.3 4.1 151 179 B I H <> S+ 0 0 9 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.917 113.6 51.8 -71.6 -42.6 16.5 31.4 7.4 152 180 B E H X S+ 0 0 70 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.928 111.7 47.7 -55.0 -45.8 14.3 28.6 6.0 153 181 B A H X S+ 0 0 56 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.906 109.9 50.7 -66.6 -41.2 16.7 28.4 3.0 154 182 B F H < S+ 0 0 68 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.857 109.8 51.8 -64.9 -33.7 19.8 28.4 5.2 155 183 B Y H >< S+ 0 0 21 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.969 111.6 46.6 -60.3 -51.3 18.3 25.5 7.2 156 184 B Q H >< S+ 0 0 97 -4,-2.4 3,-0.5 1,-0.3 -2,-0.2 0.807 112.4 50.4 -66.5 -28.7 17.7 23.6 4.0 157 185 B A T 3< S+ 0 0 74 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.509 119.8 35.9 -85.0 -2.4 21.2 24.3 2.8 158 186 B N T X + 0 0 25 -3,-1.7 3,-1.4 -4,-0.4 7,-0.3 -0.165 65.3 143.7-141.6 42.2 22.8 23.2 6.1 159 187 B R T < S+ 0 0 80 -3,-0.5 -29,-0.2 1,-0.3 -30,-0.2 0.765 88.9 24.1 -63.9 -24.6 20.7 20.2 7.3 160 188 B T T 3 S+ 0 0 81 1,-0.1 2,-0.5 -31,-0.1 -1,-0.3 0.152 108.7 83.1-122.7 20.7 23.8 18.4 8.7 161 189 B N <> + 0 0 71 -3,-1.4 4,-2.3 -6,-0.2 5,-0.2 -0.794 47.6 175.7-128.7 88.9 26.1 21.4 9.1 162 190 B F H > S+ 0 0 0 -2,-0.5 4,-3.2 1,-0.2 5,-0.4 0.943 83.2 50.2 -62.1 -47.1 25.4 23.2 12.4 163 191 B N H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.902 110.6 51.8 -57.7 -39.5 28.2 25.7 12.0 164 192 B G H > S+ 0 0 17 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.904 114.5 41.5 -62.4 -42.2 26.9 26.6 8.5 165 193 B F H X S+ 0 0 0 -4,-2.3 4,-0.7 -7,-0.3 -2,-0.2 0.947 119.7 42.1 -70.0 -52.0 23.4 27.1 9.7 166 194 B Y H >< S+ 0 0 7 -4,-3.2 3,-0.7 -5,-0.2 4,-0.3 0.914 117.1 45.9 -68.8 -41.3 24.2 29.0 12.9 167 195 B X H 3< S+ 0 0 72 -4,-2.5 3,-0.5 -5,-0.4 -1,-0.2 0.816 107.3 59.4 -72.5 -23.2 27.0 31.2 11.4 168 196 B A H 3< S+ 0 0 41 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.733 124.7 21.1 -73.0 -17.8 24.8 32.0 8.3 169 197 B N S S+ 0 0 137 -3,-0.5 4,-2.7 -4,-0.3 5,-0.2 0.878 79.1 35.2 -56.7 -55.2 24.2 34.3 14.0 171 199 B G H > S+ 0 0 55 -4,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.895 120.2 49.7 -65.0 -39.1 23.2 37.9 14.7 172 200 B A H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.924 113.1 47.0 -63.4 -43.8 19.6 37.4 13.4 173 201 B I H X S+ 0 0 0 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.925 109.9 52.2 -67.1 -43.1 19.2 34.2 15.5 174 202 B D H X S+ 0 0 40 -4,-2.7 4,-0.6 -5,-0.3 -1,-0.2 0.904 110.9 49.3 -59.6 -38.1 20.5 35.9 18.6 175 203 B F H >X S+ 0 0 127 -4,-2.1 4,-2.0 1,-0.2 3,-1.1 0.888 102.0 61.1 -66.6 -43.3 18.0 38.8 18.0 176 204 B I H 3< S+ 0 0 11 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.897 111.3 40.9 -48.5 -41.3 15.1 36.4 17.5 177 205 B F H 3< S+ 0 0 15 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.551 116.7 48.2 -88.6 -7.4 15.7 35.2 21.1 178 206 B S H << 0 0 85 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.609 360.0 360.0-104.4 -16.6 16.4 38.6 22.6 179 207 B X < 0 0 119 -4,-2.0 -3,-0.0 -5,-0.1 -4,-0.0 -0.127 360.0 360.0 -77.6 360.0 13.4 40.5 21.2