==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-FEB-13 3W6F . COMPND 2 MOLECULE: LYSOZYME-LIKE CHITINOLYTIC ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA; . AUTHOR T.ARIMORI,N.KAWAMOTO,N.OKAZAKI,M.NAKAZAWA,K.MIYATAKE,T.FUKAM . 607 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 411 67.7 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 . 8 1.3 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 . 4 0.7 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 . 19 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 281 46.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 3.1 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 4 0 4 0 4 0 0 2 10 0 0 0 0 4 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 . 4 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 1 103 A V 0 0 90 0, 0.0 2,-0.3 0, 0.0 146,-0.1 0.000 360.0 360.0 360.0 110.0 7.4 -12.9 -11.3 2 104 A T - 0 0 121 1,-0.0 3,-0.0 145,-0.0 0, 0.0 -0.816 360.0 -82.0-119.6 163.9 8.0 -9.3 -10.1 3 105 A K - 0 0 72 -2,-0.3 2,-0.1 1,-0.1 6,-0.0 -0.454 46.2-117.3 -64.5 126.8 5.7 -6.3 -9.7 4 106 A P > - 0 0 17 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.479 25.8-120.7 -60.6 136.4 5.2 -4.4 -12.9 5 107 A A T 3 S+ 0 0 100 1,-0.3 -2,-0.1 -2,-0.1 0, 0.0 0.821 109.8 50.6 -51.5 -39.8 6.6 -0.8 -12.5 6 108 A E T 3 S+ 0 0 89 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.699 87.9 95.2 -76.4 -20.9 3.2 0.9 -13.2 7 109 A V S < S- 0 0 1 -3,-1.3 5,-0.1 1,-0.1 26,-0.0 -0.614 81.8-119.4 -75.4 121.5 1.2 -1.2 -10.7 8 110 A P > - 0 0 42 0, 0.0 4,-1.9 0, 0.0 3,-0.4 -0.273 18.2-117.8 -62.4 147.1 0.9 0.5 -7.3 9 111 A S H > S+ 0 0 90 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.853 112.5 52.9 -53.0 -45.3 2.4 -1.2 -4.2 10 112 A R H > S+ 0 0 95 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.875 109.8 49.2 -61.0 -38.9 -0.9 -1.5 -2.4 11 113 A I H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 5,-0.3 0.883 105.6 56.9 -67.9 -40.9 -2.5 -3.2 -5.4 12 114 A W H X S+ 0 0 38 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.898 106.0 50.3 -59.7 -42.2 0.3 -5.7 -5.8 13 115 A T H X S+ 0 0 79 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.930 110.0 51.2 -60.4 -45.8 -0.2 -6.9 -2.2 14 116 A Y H X S+ 0 0 44 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.942 115.1 40.5 -55.4 -53.2 -3.9 -7.3 -2.9 15 117 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.797 113.1 55.1 -70.6 -30.1 -3.4 -9.4 -6.1 16 118 A M H X S+ 0 0 42 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.871 107.7 48.8 -71.5 -38.3 -0.5 -11.4 -4.6 17 119 A N H X S+ 0 0 51 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.914 112.5 49.3 -63.4 -43.2 -2.7 -12.4 -1.6 18 120 A A H X S+ 0 0 0 -4,-1.9 4,-0.7 -5,-0.2 -2,-0.2 0.890 109.3 52.1 -60.6 -42.8 -5.4 -13.5 -4.1 19 121 A D H >X>S+ 0 0 0 -4,-2.2 5,-1.2 1,-0.2 3,-1.0 0.910 107.6 52.0 -59.9 -45.4 -2.8 -15.4 -6.1 20 122 A N H 3<5S+ 0 0 32 -4,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.820 103.2 59.1 -60.4 -35.1 -1.7 -17.3 -2.9 21 123 A A H 3<5S+ 0 0 27 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.721 114.7 35.8 -65.7 -24.2 -5.3 -18.2 -2.2 22 124 A Y H <<5S- 0 0 19 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.412 107.2-121.7-110.5 -0.3 -5.4 -20.0 -5.6 23 125 A G T <5 + 0 0 4 -4,-0.8 -3,-0.2 -3,-0.4 -4,-0.1 0.981 60.8 144.3 56.1 64.4 -1.9 -21.4 -5.7 24 126 A K > < - 0 0 78 -5,-1.2 3,-1.6 0, 0.0 4,-0.2 0.331 58.0-125.3-117.3 4.0 -0.9 -19.7 -9.0 25 127 A G T 3 S- 0 0 32 1,-0.3 -5,-0.1 -6,-0.2 -9,-0.0 0.789 71.0 -53.7 58.1 35.5 2.8 -18.9 -8.3 26 128 A G T 3> S+ 0 0 7 -10,-0.1 4,-0.8 -11,-0.1 -1,-0.3 0.177 119.6 100.0 91.2 -16.0 2.5 -15.1 -9.0 27 129 A D H <> S+ 0 0 8 -3,-1.6 4,-1.6 2,-0.2 3,-0.3 0.853 79.2 51.0 -74.3 -37.9 0.9 -15.5 -12.5 28 130 A F H > S+ 0 0 9 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.852 104.4 60.8 -66.7 -33.9 -2.7 -14.8 -11.5 29 131 A A H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.823 103.8 49.8 -60.3 -33.8 -1.4 -11.7 -9.7 30 132 A L H X S+ 0 0 3 -4,-0.8 4,-1.6 -3,-0.3 -1,-0.2 0.901 112.2 46.8 -69.7 -43.7 -0.2 -10.5 -13.1 31 133 A L H X S+ 0 0 4 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.907 112.2 50.1 -63.4 -44.3 -3.6 -11.2 -14.7 32 134 A L H X S+ 0 0 0 -4,-3.1 4,-3.1 2,-0.2 -1,-0.2 0.851 105.9 56.7 -65.0 -35.9 -5.4 -9.5 -11.9 33 135 A S H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.919 109.1 46.4 -57.1 -46.6 -3.2 -6.4 -12.2 34 136 A A H X S+ 0 0 2 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.889 113.0 49.5 -64.2 -42.7 -4.2 -6.1 -15.9 35 137 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.947 112.1 47.3 -60.5 -49.4 -7.9 -6.6 -14.9 36 138 A I H X>S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-1.1 0.869 109.7 54.3 -62.9 -38.2 -7.7 -3.9 -12.2 37 139 A K H X5S+ 0 0 37 -4,-2.3 4,-0.9 4,-0.3 -1,-0.2 0.946 114.2 40.5 -58.1 -51.1 -5.9 -1.5 -14.5 38 140 A K H <5S+ 0 0 110 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.890 120.5 44.2 -64.5 -41.4 -8.7 -1.9 -17.1 39 141 A E H <5S- 0 0 33 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.920 139.4 -7.8 -75.5 -48.0 -11.6 -1.8 -14.6 40 142 A S H ><>S- 0 0 2 -4,-2.5 5,-3.2 16,-0.4 3,-0.9 0.359 84.8-116.7-133.6 -1.2 -10.7 1.0 -12.1 41 143 A Y G >< S+ 0 0 0 1,-0.2 3,-1.7 -5,-0.1 4,-0.2 0.151 72.9 113.3 -96.0 16.6 -20.2 2.3 -11.6 52 154 A A G X + 0 0 31 -3,-1.3 3,-1.6 1,-0.3 -1,-0.2 0.902 69.9 59.5 -52.8 -46.8 -17.7 4.1 -9.3 53 155 A G G 3 S+ 0 0 61 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.543 86.1 79.8 -62.4 -8.4 -19.2 2.4 -6.2 54 156 A D G < >S- 0 0 6 -3,-1.7 5,-0.8 1,-0.2 3,-0.4 0.531 90.2-147.0 -82.7 -8.3 -18.4 -1.0 -7.6 55 157 A G T X 5 - 0 0 6 -3,-1.6 3,-1.4 3,-0.2 -1,-0.2 -0.121 39.9 -21.1 82.6-168.1 -14.7 -0.9 -6.6 56 158 A L T 3 5S+ 0 0 2 1,-0.3 -16,-0.4 2,-0.1 -14,-0.2 0.732 138.0 29.1 -54.8 -36.3 -11.4 -2.1 -7.9 57 159 A M T 3 5S- 0 0 1 -3,-0.4 -1,-0.3 -18,-0.1 -2,-0.1 0.298 102.7-125.5-112.5 6.8 -12.6 -5.0 -10.0 58 160 A Q T < 5 + 0 0 22 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.824 39.5 176.4 55.1 42.0 -15.9 -3.4 -10.9 59 161 A V < - 0 0 9 -5,-0.8 -1,-0.2 28,-0.1 -2,-0.1 -0.668 30.9-122.3 -77.8 125.5 -18.0 -6.4 -9.8 60 162 A Q >> - 0 0 47 -2,-0.5 4,-2.7 1,-0.1 3,-1.0 -0.349 19.2-109.6 -75.0 149.6 -21.7 -5.3 -10.2 61 163 A P H 3> S+ 0 0 53 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.841 117.8 45.8 -47.7 -47.4 -24.1 -5.3 -7.2 62 164 A N H 3> S+ 0 0 73 2,-0.2 4,-1.4 1,-0.2 5,-0.0 0.783 113.8 50.6 -69.9 -26.7 -26.2 -8.3 -8.4 63 165 A T H <> S+ 0 0 53 -3,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.912 109.8 48.9 -74.3 -44.3 -23.0 -10.2 -9.2 64 166 A R H < S+ 0 0 37 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.931 111.1 51.8 -57.2 -46.7 -21.5 -9.6 -5.8 65 167 A N H >< S+ 0 0 35 -4,-2.4 3,-1.1 -5,-0.2 4,-0.3 0.868 105.7 55.4 -57.0 -40.4 -24.8 -10.7 -4.2 66 168 A A H 3< S+ 0 0 28 -4,-1.4 -1,-0.2 1,-0.2 4,-0.2 0.836 112.6 40.8 -63.1 -34.8 -24.7 -13.9 -6.3 67 169 A Y T 3X S+ 0 0 26 -4,-1.4 4,-2.7 -3,-0.5 -1,-0.2 0.179 81.0 109.4-102.2 16.1 -21.3 -15.0 -5.0 68 170 A L H <> S+ 0 0 69 -3,-1.1 4,-2.1 1,-0.2 11,-0.2 0.943 82.5 40.7 -62.3 -52.2 -21.6 -14.0 -1.3 69 171 A S H > S+ 0 0 11 274,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.878 116.3 51.2 -64.1 -39.5 -21.7 -17.5 0.2 70 172 A Q H > S+ 0 0 32 -4,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.893 108.7 51.4 -65.4 -41.3 -19.0 -18.7 -2.1 71 173 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 6,-0.3 0.924 110.3 49.3 -57.5 -45.8 -16.7 -15.8 -1.2 72 174 A S H X S+ 0 0 6 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.867 111.2 49.2 -66.1 -38.1 -17.2 -16.6 2.5 73 175 A A H < S+ 0 0 31 -4,-2.1 -1,-0.2 277,-0.2 -2,-0.2 0.925 114.5 45.1 -63.4 -47.2 -16.4 -20.2 1.9 74 176 A K H < S+ 0 0 88 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.902 127.4 25.5 -63.6 -44.0 -13.2 -19.4 -0.1 75 177 A Y H < S- 0 0 31 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.490 96.4-124.0-108.9 -6.5 -11.9 -16.7 2.3 76 178 A G S < S+ 0 0 44 -4,-1.9 2,-0.3 -5,-0.3 -4,-0.1 0.502 81.7 75.0 78.0 3.7 -13.3 -17.5 5.7 77 179 A H S S- 0 0 71 -6,-0.3 -2,-0.2 -5,-0.1 276,-0.1 -0.990 88.7 -91.1-144.1 154.2 -15.0 -14.1 6.3 78 180 A A - 0 0 53 274,-0.5 2,-0.2 -2,-0.3 -9,-0.1 -0.288 54.3 -94.0 -61.4 142.0 -18.0 -12.3 5.0 79 181 A Y - 0 0 33 -11,-0.2 2,-0.6 -15,-0.1 -1,-0.1 -0.418 39.1-162.4 -59.9 123.4 -17.5 -10.1 1.9 80 182 A N > - 0 0 79 -2,-0.2 3,-1.7 1,-0.1 6,-0.3 -0.918 7.7-165.2-112.5 103.4 -16.8 -6.6 3.1 81 183 A H T 3 S+ 0 0 55 -2,-0.6 -1,-0.1 1,-0.3 6,-0.1 0.725 87.5 62.2 -62.1 -23.0 -17.3 -4.2 0.2 82 184 A S T 3 S+ 0 0 104 -3,-0.1 2,-0.5 -27,-0.1 -1,-0.3 0.686 88.8 86.8 -74.3 -18.4 -15.5 -1.4 2.0 83 185 A S <> - 0 0 34 -3,-1.7 4,-2.0 1,-0.1 -3,-0.1 -0.744 64.4-159.3 -88.2 123.7 -12.3 -3.5 2.0 84 186 A E H > S+ 0 0 58 -2,-0.5 4,-2.0 2,-0.2 -1,-0.1 0.835 95.6 55.3 -67.7 -35.0 -10.2 -3.2 -1.1 85 187 A Q H > S+ 0 0 30 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.875 109.2 47.8 -63.9 -38.6 -8.6 -6.6 -0.4 86 188 A D H > S+ 0 0 7 -6,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.889 107.4 55.4 -68.3 -41.6 -12.1 -8.2 -0.3 87 189 A Q H X S+ 0 0 23 -4,-2.0 4,-2.4 -7,-0.3 -2,-0.2 0.923 111.9 44.2 -53.9 -46.8 -13.0 -6.4 -3.6 88 190 A V H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.909 112.5 51.4 -66.0 -45.0 -9.9 -8.0 -5.2 89 191 A Y H X S+ 0 0 37 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.860 111.8 48.1 -56.2 -39.6 -10.7 -11.4 -3.5 90 192 A M H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.933 113.6 45.4 -70.8 -47.6 -14.3 -11.2 -4.9 91 193 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.910 113.9 50.7 -58.7 -44.4 -13.2 -10.3 -8.4 92 194 A S H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.861 108.1 52.1 -63.2 -40.9 -10.5 -13.0 -8.3 93 195 A L H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.927 113.3 43.9 -60.4 -46.6 -13.0 -15.7 -7.2 94 196 A I H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.932 115.3 47.5 -67.3 -46.5 -15.3 -14.8 -10.1 95 197 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.915 112.2 49.9 -61.1 -45.9 -12.5 -14.6 -12.7 96 198 A N H X S+ 0 0 31 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.943 109.3 52.8 -56.5 -48.5 -11.0 -17.9 -11.5 97 199 A E H X S+ 0 0 35 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.872 110.3 46.9 -55.2 -43.1 -14.4 -19.6 -11.7 98 200 A K H X S+ 0 0 17 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.889 112.9 49.4 -66.8 -41.1 -14.9 -18.4 -15.3 99 201 A I H X S+ 0 0 31 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.919 115.0 43.4 -65.0 -44.9 -11.4 -19.6 -16.3 100 202 A V H < S+ 0 0 103 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.960 119.5 42.8 -65.5 -49.0 -11.9 -23.0 -14.8 101 203 A R H < S+ 0 0 114 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.929 121.3 37.2 -64.9 -50.7 -15.4 -23.4 -16.1 102 204 A F H < S- 0 0 70 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.672 107.0-125.4 -79.7 -19.1 -14.9 -22.1 -19.7 103 205 A G S < S+ 0 0 62 -4,-1.4 2,-0.3 -5,-0.3 -3,-0.1 0.368 72.6 61.7 97.5 -2.8 -11.4 -23.7 -19.9 104 206 A S S > S- 0 0 51 -6,-0.3 4,-1.7 -5,-0.1 -2,-0.2 -0.985 73.4-121.4-153.1 162.3 -9.2 -20.6 -20.8 105 207 A I H > S+ 0 0 27 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.944 111.2 50.5 -67.0 -51.2 -8.0 -17.2 -19.8 106 208 A Y H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 115.0 42.7 -54.8 -49.8 -9.3 -15.4 -22.8 107 209 A S H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.841 111.8 55.8 -67.4 -34.5 -12.8 -16.8 -22.4 108 210 A G H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.901 109.9 45.8 -62.9 -42.6 -12.6 -16.3 -18.7 109 211 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.923 112.1 51.6 -64.5 -46.2 -11.9 -12.6 -19.3 110 212 A L H X S+ 0 0 25 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.932 116.7 38.1 -58.5 -49.6 -14.7 -12.3 -21.9 111 213 A H H X S+ 0 0 31 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.686 109.6 62.3 -79.6 -21.7 -17.4 -13.9 -19.6 112 214 A Y H < S+ 0 0 26 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.951 114.7 34.4 -59.8 -49.0 -16.0 -12.1 -16.6 113 215 A N H < S+ 0 0 43 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.817 133.2 27.3 -77.9 -33.9 -16.8 -8.8 -18.3 114 216 A G H < S- 0 0 17 -4,-2.1 3,-0.2 1,-0.3 -3,-0.2 0.617 104.3-118.5-104.7 -14.4 -20.0 -9.8 -20.1 115 217 A G >< - 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