==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-OCT-08 3F21 . COMPND 2 MOLECULE: DOUBLE-STRANDED RNA-SPECIFIC ADENOSINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.C.HA,J.CHOI,K.K.KIM . 194 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 68.0 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 . 21 10.8 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 44.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 3 0 0 1 0 3 1 0 1 0 0 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 . 3 0 1 1 1 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 3 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 1 133 A L 0 0 182 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 38.1 -1.2 36.1 1.8 2 134 A S > - 0 0 50 1,-0.1 4,-2.2 4,-0.0 5,-0.1 -0.273 360.0-107.5 -79.8 173.2 -1.4 32.3 1.9 3 135 A I H > S+ 0 0 151 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.885 122.1 50.0 -68.9 -36.6 -1.4 30.3 5.2 4 136 A Y H > S+ 0 0 103 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.917 110.4 49.5 -67.3 -43.1 2.1 29.2 4.6 5 137 A Q H > S+ 0 0 92 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.894 106.0 56.5 -62.5 -40.8 3.3 32.7 3.9 6 138 A D H X S+ 0 0 94 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.892 108.8 48.3 -56.0 -40.1 1.6 33.9 7.1 7 139 A Q H X S+ 0 0 40 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.918 110.9 48.7 -66.2 -45.4 3.7 31.2 8.9 8 140 A E H X S+ 0 0 16 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.890 113.3 49.1 -60.3 -42.0 6.9 32.4 7.2 9 141 A Q H X S+ 0 0 112 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.858 106.9 54.6 -65.6 -38.6 6.0 36.0 8.2 10 142 A R H X S+ 0 0 125 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.917 113.6 42.1 -62.1 -42.7 5.3 35.1 11.8 11 143 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.937 114.4 49.9 -71.0 -46.3 8.8 33.6 12.0 12 144 A L H X S+ 0 0 13 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.888 112.6 48.9 -59.7 -39.3 10.5 36.4 10.1 13 145 A K H X S+ 0 0 112 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.897 108.9 52.1 -67.2 -41.8 8.7 38.9 12.4 14 146 A F H < S+ 0 0 53 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.950 113.4 44.0 -59.4 -49.3 9.7 37.1 15.6 15 147 A L H >X S+ 0 0 3 -4,-2.4 3,-0.9 1,-0.2 4,-0.6 0.816 110.9 54.3 -66.0 -33.0 13.4 37.1 14.5 16 148 A E H >< S+ 0 0 114 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.872 107.0 51.0 -70.0 -35.2 13.3 40.7 13.3 17 149 A E T 3< S+ 0 0 136 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.336 93.0 81.8 -84.3 9.1 12.0 41.9 16.7 18 150 A L T <4 S- 0 0 56 -3,-0.9 2,-0.3 1,-0.3 -1,-0.2 0.909 96.7-118.4 -78.6 -46.4 14.8 39.9 18.4 19 151 A G << - 0 0 45 -4,-0.6 -1,-0.3 -3,-0.5 0, 0.0 -0.947 42.2 -36.0 141.5-162.7 17.4 42.6 17.9 20 152 A E S S- 0 0 172 -2,-0.3 -1,-0.2 1,-0.1 45,-0.2 0.984 125.4 -10.6 -61.6 -86.8 20.8 43.2 16.2 21 153 A G S S+ 0 0 33 -3,-0.1 -1,-0.1 43,-0.1 2,-0.1 0.244 96.6 131.6-103.7 14.4 22.8 40.0 16.4 22 154 A K - 0 0 120 -7,-0.1 2,-0.3 1,-0.0 -3,-0.2 -0.426 34.6-171.6 -69.1 137.1 20.5 38.1 18.7 23 155 A A - 0 0 28 -2,-0.1 2,-0.3 41,-0.1 41,-0.2 -0.761 5.4-160.1-122.5 169.4 19.7 34.6 17.6 24 156 A T B -A 63 0A 12 39,-1.9 39,-3.2 -2,-0.3 2,-0.2 -0.940 20.1-105.4-145.2 167.5 17.3 32.0 18.9 25 157 A T > - 0 0 30 -2,-0.3 4,-2.1 37,-0.2 5,-0.2 -0.519 24.7-119.9 -93.9 164.1 16.7 28.2 18.6 26 158 A A H > S+ 0 0 7 35,-0.5 4,-2.9 1,-0.2 5,-0.2 0.871 116.1 59.7 -66.6 -33.9 14.1 26.3 16.7 27 159 A H H > S+ 0 0 139 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.918 107.3 42.7 -58.8 -47.5 13.0 25.0 20.1 28 160 A D H > S+ 0 0 56 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.947 114.8 50.3 -65.1 -48.6 12.3 28.5 21.5 29 161 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 6,-0.2 0.921 109.8 51.1 -55.3 -47.9 10.6 29.6 18.2 30 162 A S H X>S+ 0 0 21 -4,-2.9 5,-1.6 1,-0.2 4,-0.8 0.878 111.8 48.0 -58.4 -41.3 8.4 26.5 18.2 31 163 A G H <5S+ 0 0 59 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.880 112.2 47.0 -69.2 -41.1 7.4 27.1 21.8 32 164 A K H <5S+ 0 0 139 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.849 119.6 39.0 -70.1 -34.7 6.5 30.8 21.3 33 165 A L H <5S- 0 0 21 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.457 104.2-124.2 -96.4 -2.5 4.5 30.2 18.2 34 166 A G T <5 + 0 0 69 -4,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.808 67.8 129.5 64.0 32.6 2.8 27.0 19.3 35 167 A T < - 0 0 18 -5,-1.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.957 67.2 -99.3-121.7 136.3 4.1 25.1 16.2 36 168 A P >> - 0 0 76 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.224 31.3-122.5 -52.9 136.6 6.0 21.7 16.2 37 169 A K H 3> S+ 0 0 100 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.801 109.5 62.2 -52.1 -34.4 9.8 22.2 15.9 38 170 A K H 3> S+ 0 0 159 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 106.8 43.0 -59.8 -45.6 9.8 20.0 12.8 39 171 A E H <> S+ 0 0 68 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.909 114.6 52.0 -65.4 -44.9 7.6 22.5 10.9 40 172 A I H X S+ 0 0 0 -4,-2.0 4,-3.2 1,-0.2 3,-0.3 0.960 110.6 46.3 -56.6 -53.5 9.6 25.4 12.3 41 173 A N H X S+ 0 0 38 -4,-3.3 4,-2.8 1,-0.2 5,-0.3 0.870 107.4 58.1 -59.0 -36.2 12.9 23.9 11.2 42 174 A R H X S+ 0 0 143 -4,-1.9 4,-1.5 -5,-0.2 -1,-0.2 0.906 113.1 40.4 -60.3 -40.9 11.4 23.1 7.7 43 175 A V H X S+ 0 0 2 -4,-2.0 4,-2.7 -3,-0.3 -2,-0.2 0.906 112.9 54.3 -75.6 -42.0 10.7 26.8 7.4 44 176 A L H X S+ 0 0 0 -4,-3.2 4,-1.4 1,-0.2 -2,-0.2 0.954 111.7 42.9 -59.5 -50.2 13.9 28.0 8.9 45 177 A Y H X S+ 0 0 100 -4,-2.8 4,-1.6 1,-0.2 3,-0.4 0.926 113.6 52.6 -62.2 -42.8 16.2 26.0 6.6 46 178 A S H X S+ 0 0 38 -4,-1.5 4,-1.4 -5,-0.3 3,-0.2 0.907 109.4 48.8 -57.4 -44.2 14.1 26.9 3.6 47 179 A L H <>S+ 0 0 0 -4,-2.7 5,-1.4 1,-0.2 6,-1.2 0.751 108.3 55.0 -68.1 -24.3 14.3 30.6 4.4 48 180 A A H ><5S+ 0 0 32 -4,-1.4 3,-0.7 -3,-0.4 -1,-0.2 0.790 103.9 54.2 -77.3 -30.4 18.1 30.2 4.8 49 181 A K H 3<5S+ 0 0 191 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.850 107.3 51.6 -68.8 -34.5 18.3 28.8 1.3 50 182 A K T 3<5S- 0 0 108 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.468 116.9-117.9 -80.7 -2.9 16.5 32.0 0.2 51 183 A G T < 5S+ 0 0 45 -3,-0.7 -3,-0.2 2,-0.2 -4,-0.1 0.379 86.7 110.0 84.4 -5.8 19.1 34.1 2.0 52 184 A K S 0 0 167 0, 0.0 4,-1.4 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 45.9 6.8 -4.5 23.1 70 138 B D H > + 0 0 114 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.863 360.0 59.8 -76.4 -35.5 4.8 -6.7 20.7 71 139 B Q H > S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.904 102.4 51.1 -55.7 -45.2 6.1 -4.4 17.9 72 140 B E H > S+ 0 0 21 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.947 110.4 50.3 -58.8 -48.1 9.6 -5.3 18.9 73 141 B Q H X S+ 0 0 102 -4,-1.4 4,-2.7 1,-0.2 5,-0.2 0.973 106.4 52.6 -53.2 -63.7 8.7 -9.0 18.7 74 142 B R H X S+ 0 0 115 -4,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.842 114.9 43.2 -41.6 -43.9 7.1 -8.8 15.3 75 143 B I H X S+ 0 0 6 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.3 0.909 111.4 54.9 -71.1 -42.2 10.2 -7.2 13.9 76 144 B L H X S+ 0 0 18 -4,-2.9 4,-1.5 -5,-0.2 -2,-0.2 0.921 110.5 44.9 -56.1 -50.2 12.5 -9.6 15.8 77 145 B K H >X S+ 0 0 103 -4,-2.7 4,-2.3 1,-0.2 3,-1.6 0.993 108.3 55.1 -58.9 -64.7 10.9 -12.7 14.3 78 146 B F H 3< S+ 0 0 51 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.796 110.9 48.9 -37.4 -39.4 10.8 -11.3 10.7 79 147 B L H >< S+ 0 0 1 -4,-1.8 3,-0.8 1,-0.2 50,-0.4 0.815 110.2 46.5 -74.9 -34.4 14.5 -10.8 11.1 80 148 B E H << S+ 0 0 110 -3,-1.6 -2,-0.2 -4,-1.5 -1,-0.2 0.732 103.7 66.4 -78.2 -20.5 15.4 -14.3 12.4 81 149 B E T 3< S+ 0 0 136 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.3 0.062 87.9 108.2 -84.6 21.6 13.2 -15.6 9.7 82 150 B L S < S- 0 0 53 -3,-0.8 -3,-0.1 -5,-0.2 47,-0.0 -0.797 81.0 -82.0-108.4 149.2 15.8 -14.2 7.2 83 151 B G > - 0 0 23 -2,-0.3 3,-1.7 2,-0.1 -1,-0.1 -0.027 53.4 -95.9 -46.5 140.2 18.3 -16.0 5.0 84 152 B E T 3 S+ 0 0 187 1,-0.3 -2,-0.1 3,-0.0 -1,-0.0 0.727 113.0 8.0 -21.0 -76.5 21.6 -17.1 6.6 85 153 B G T 3 S+ 0 0 55 43,-0.0 2,-0.4 2,-0.0 -1,-0.3 0.217 96.2 122.6-105.0 18.5 23.8 -14.1 5.7 86 154 B K < - 0 0 136 -3,-1.7 2,-0.4 -4,-0.0 -4,-0.0 -0.661 40.7-163.1 -87.4 129.9 21.4 -11.6 4.2 87 155 B A - 0 0 36 -2,-0.4 41,-0.2 41,-0.1 2,-0.1 -0.873 6.9-164.9-111.3 143.7 21.1 -8.1 5.8 88 156 B T B -C 127 0B 20 39,-3.2 39,-3.3 -2,-0.4 2,-0.3 -0.400 12.9-115.9-116.0-171.0 18.2 -5.7 5.2 89 157 B T > - 0 0 20 37,-0.2 4,-3.3 -2,-0.1 5,-0.2 -0.917 21.7-120.4-130.3 158.0 17.3 -2.0 5.7 90 158 B A H > S+ 0 0 8 35,-0.4 4,-2.3 -2,-0.3 5,-0.1 0.878 116.7 54.5 -61.5 -39.1 14.7 0.0 7.7 91 159 B H H > S+ 0 0 137 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.982 112.5 42.3 -57.5 -57.6 13.3 1.4 4.5 92 160 B D H > S+ 0 0 90 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.911 112.8 53.1 -56.4 -45.5 12.8 -2.2 3.2 93 161 B L H X S+ 0 0 0 -4,-3.3 4,-0.9 1,-0.2 -1,-0.3 0.857 106.7 55.0 -58.9 -34.2 11.5 -3.4 6.5 94 162 B S H X>S+ 0 0 30 -4,-2.3 5,-1.3 -3,-0.3 4,-1.2 0.941 113.2 39.2 -64.6 -48.3 9.0 -0.5 6.4 95 163 B G H <5S+ 0 0 65 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.939 117.5 49.1 -66.6 -47.1 7.6 -1.5 3.0 96 164 B K H <5S+ 0 0 158 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.592 122.7 34.5 -67.5 -12.9 7.7 -5.2 3.9 97 165 B L H <5S- 0 0 13 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.427 97.5-127.7-123.0 -2.5 6.0 -4.6 7.2 98 166 B G T <5 + 0 0 71 -4,-1.2 -3,-0.2 -3,-0.5 -4,-0.1 0.958 68.7 122.7 50.9 55.5 3.6 -1.8 6.5 99 167 B T S > - 0 0 72 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.274 30.0-127.9 -58.0 136.5 6.5 3.7 9.6 101 169 B K H 3> S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.718 106.0 67.6 -57.2 -19.9 10.3 3.8 9.2 102 170 B K H 3> S+ 0 0 181 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.962 105.4 37.5 -67.1 -52.0 10.4 5.8 12.5 103 171 B E H <> S+ 0 0 89 -3,-0.6 4,-2.3 2,-0.2 5,-0.2 0.900 113.1 58.7 -66.9 -40.1 9.2 2.9 14.7 104 172 B I H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 3,-0.3 0.960 111.4 40.5 -51.1 -58.1 11.2 0.4 12.7 105 173 B N H X S+ 0 0 35 -4,-2.2 4,-3.0 1,-0.2 5,-0.4 0.867 107.7 61.7 -60.1 -40.4 14.4 2.2 13.4 106 174 B R H X S+ 0 0 190 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.923 113.5 38.0 -53.8 -41.8 13.4 2.9 17.0 107 175 B V H X S+ 0 0 16 -4,-2.3 4,-3.4 -3,-0.3 5,-0.3 0.943 113.3 55.6 -73.4 -49.5 13.3 -0.9 17.4 108 176 B L H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.913 109.9 44.5 -51.8 -50.6 16.3 -1.7 15.3 109 177 B Y H X S+ 0 0 112 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.898 114.7 50.6 -65.9 -34.0 18.6 0.6 17.2 110 178 B S H X S+ 0 0 37 -4,-1.2 4,-2.6 -5,-0.4 -2,-0.2 0.966 110.6 47.1 -65.5 -51.3 17.3 -0.8 20.5 111 179 B L H <>S+ 0 0 0 -4,-3.4 5,-2.5 1,-0.2 6,-1.0 0.844 110.7 54.8 -58.7 -32.6 17.7 -4.4 19.5 112 180 B A H ><5S+ 0 0 24 -4,-2.1 3,-1.3 -5,-0.3 -1,-0.2 0.913 109.1 45.1 -67.1 -43.1 21.2 -3.6 18.3 113 181 B K H 3<5S+ 0 0 85 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.879 109.9 56.6 -67.0 -36.9 22.2 -2.1 21.7 114 182 B K T 3<5S- 0 0 60 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.415 117.0-119.9 -73.5 1.7 20.5 -5.2 23.3 115 183 B G T < 5S+ 0 0 51 -3,-1.3 -3,-0.2 -5,-0.2 -2,-0.1 0.584 85.4 113.2 71.4 10.4 22.9 -7.3 21.2 116 184 B K S 0 0 85 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 140.2 36.3 10.0 28.4 134 135 C I H > + 0 0 123 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.945 360.0 49.1 -70.5 -46.7 34.9 11.1 31.7 135 136 C Y H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 110.5 50.6 -59.3 -42.2 31.7 9.2 31.1 136 137 C Q H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.883 105.9 55.9 -66.4 -35.4 33.5 6.1 30.0 137 138 C D H X S+ 0 0 95 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.917 107.1 50.7 -61.3 -41.4 35.6 6.2 33.2 138 139 C Q H X S+ 0 0 22 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.914 106.6 53.3 -63.6 -42.5 32.3 6.2 35.2 139 140 C E H X S+ 0 0 38 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.930 111.2 47.5 -58.4 -43.8 30.9 3.2 33.4 140 141 C Q H X S+ 0 0 139 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.889 110.6 50.7 -65.0 -39.8 34.1 1.3 34.2 141 142 C R H X S+ 0 0 108 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.927 113.8 45.5 -64.6 -42.1 34.0 2.4 37.9 142 143 C I H X S+ 0 0 1 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.949 113.9 47.8 -64.7 -46.4 30.4 1.2 38.1 143 144 C L H X S+ 0 0 35 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.900 113.7 48.2 -62.4 -38.1 31.1 -2.0 36.4 144 145 C K H X S+ 0 0 112 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.858 107.0 55.3 -71.5 -35.0 34.1 -2.7 38.5 145 146 C F H X S+ 0 0 46 -4,-2.2 4,-0.8 -5,-0.2 -1,-0.2 0.932 111.9 44.5 -62.9 -43.3 32.3 -1.9 41.7 146 147 C L H >X S+ 0 0 3 -4,-2.2 4,-1.3 1,-0.2 3,-0.6 0.902 108.8 55.8 -69.2 -37.0 29.7 -4.5 40.8 147 148 C E H 3< S+ 0 0 114 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.819 114.1 42.2 -64.2 -27.7 32.3 -7.1 39.7 148 149 C E H 3< S+ 0 0 128 -4,-1.6 -1,-0.3 -3,-0.1 -2,-0.2 0.533 100.2 71.1 -94.5 -10.0 33.8 -6.8 43.1 149 150 C L H << S- 0 0 60 -4,-0.8 2,-0.3 -3,-0.6 -2,-0.2 0.919 108.0-110.9 -70.3 -43.7 30.6 -6.7 45.1 150 151 C G < - 0 0 22 -4,-1.3 -1,-0.3 3,-0.1 46,-0.2 -0.990 21.2 -88.9 147.8-148.1 30.0 -10.4 44.4 151 152 C E S S+ 0 0 138 -2,-0.3 -1,-0.1 -3,-0.1 45,-0.1 0.599 118.9 40.9-126.9 -57.9 27.5 -12.4 42.2 152 153 C G S S+ 0 0 71 -3,-0.1 2,-0.4 44,-0.1 -2,-0.0 0.177 102.9 100.0 -82.0 17.9 24.4 -13.1 44.3 153 154 C K - 0 0 130 -7,-0.1 43,-0.3 2,-0.0 2,-0.3 -0.870 51.6-177.6-108.3 139.8 24.9 -9.6 45.5 154 155 C A - 0 0 35 -2,-0.4 2,-0.3 41,-0.1 41,-0.2 -0.910 3.4-167.8-131.3 158.7 22.9 -6.6 44.3 155 156 C T B -E 194 0C 11 39,-2.3 39,-3.0 -2,-0.3 2,-0.1 -0.966 18.7-115.2-145.3 162.1 22.9 -2.9 45.0 156 157 C T > - 0 0 25 -2,-0.3 4,-2.2 37,-0.2 5,-0.2 -0.471 27.6-114.8 -93.7 165.3 20.8 0.2 44.4 157 158 C A H > S+ 0 0 7 35,-0.5 4,-2.7 1,-0.2 5,-0.2 0.845 118.6 58.8 -65.2 -31.6 21.6 3.3 42.4 158 159 C H H > S+ 0 0 136 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 107.1 43.0 -64.7 -43.5 21.4 5.1 45.7 159 160 C D H > S+ 0 0 44 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.930 115.7 49.1 -67.2 -46.4 24.2 3.0 47.3 160 161 C L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 6,-0.3 0.948 110.1 51.8 -56.4 -51.1 26.4 3.2 44.2 161 162 C S H X>S+ 0 0 21 -4,-2.7 5,-1.9 1,-0.2 4,-0.6 0.910 113.5 44.4 -52.4 -47.4 25.9 6.9 44.0 162 163 C G H <5S+ 0 0 59 -4,-2.0 3,-0.3 3,-0.2 -1,-0.2 0.883 114.4 47.4 -69.5 -40.1 27.0 7.3 47.6 163 164 C K H <5S+ 0 0 133 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.859 120.2 37.8 -70.5 -34.5 30.0 5.0 47.4 164 165 C L H <5S- 0 0 22 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.415 103.3-127.5 -96.6 2.5 31.3 6.5 44.2 165 166 C G T <5 + 0 0 73 -4,-0.6 -3,-0.2 -3,-0.3 -4,-0.1 0.911 65.6 134.6 52.4 43.1 30.4 10.1 45.2 166 167 C T < - 0 0 5 -5,-1.9 -1,-0.2 -6,-0.3 -2,-0.2 -0.964 65.8 -94.8-123.6 140.2 28.5 10.4 41.9 167 168 C P >> - 0 0 88 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.252 29.9-127.2 -55.7 134.9 25.0 11.9 41.4 168 169 C K H 3> S+ 0 0 103 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.849 108.1 61.8 -50.6 -39.5 22.3 9.3 41.4 169 170 C K H 3> S+ 0 0 184 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.930 106.6 43.2 -55.4 -47.3 21.0 10.6 38.0 170 171 C E H <> S+ 0 0 57 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.902 112.3 54.9 -66.8 -38.4 24.3 9.8 36.3 171 172 C I H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.943 108.9 46.6 -58.6 -49.9 24.5 6.5 38.0 172 173 C N H X S+ 0 0 38 -4,-3.0 4,-2.5 1,-0.2 5,-0.4 0.849 106.2 59.8 -64.2 -31.5 21.1 5.5 36.8 173 174 C R H X S+ 0 0 151 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.974 112.6 38.3 -59.8 -50.8 21.9 6.6 33.3 174 175 C V H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.937 114.3 54.4 -64.4 -47.9 24.8 4.2 33.1 175 176 C L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.912 113.3 40.8 -54.2 -50.4 23.0 1.4 34.9 176 177 C Y H X S+ 0 0 102 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.882 113.9 55.1 -67.2 -35.4 20.0 1.4 32.6 177 178 C S H X S+ 0 0 4 -4,-2.0 4,-1.5 -5,-0.4 -2,-0.2 0.883 113.1 42.2 -63.7 -35.2 22.4 1.8 29.7 178 179 C L H <>S+ 0 0 1 -4,-2.8 5,-1.4 2,-0.2 6,-1.3 0.809 110.5 53.5 -81.2 -32.8 24.3 -1.3 30.8 179 180 C A H ><5S+ 0 0 30 -4,-2.3 3,-1.5 -5,-0.3 -2,-0.2 0.884 107.5 55.5 -66.9 -35.2 21.2 -3.4 31.6 180 181 C K H 3<5S+ 0 0 81 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.951 104.0 51.7 -59.4 -50.8 20.2 -2.5 28.1 181 182 C K T 3<5S- 0 0 83 -4,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.163 117.1-115.1 -75.1 21.6 23.4 -3.9 26.7 182 183 C G T < 5S+ 0 0 62 -3,-1.5 -3,-0.2 1,-0.1 -1,-0.1 0.419 90.8 113.9 61.3 -3.6 22.7 -7.1 28.6 183 184 C K S