==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-MAY-05 1ZKL . COMPND 2 MOLECULE: HIGH-AFFINITY CAMP-SPECIFIC 3',5'-CYCLIC . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.WANG,Y.LIU,Y.CHEN,H.ROBINSON,H.KE . 317 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14637.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 78.2 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 . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 57.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.2 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 1 1 1 0 1 0 2 1 2 1 1 2 1 0 1 0 0 0 0 1 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 1 139 A D >> 0 0 174 0, 0.0 4,-1.7 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -67.2 -7.3 21.5 5.4 2 140 A Y H 3> + 0 0 153 1,-0.3 4,-1.2 2,-0.2 5,-0.1 0.800 360.0 60.1 -63.4 -26.5 -6.3 24.9 6.8 3 141 A N H 3> S+ 0 0 114 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.851 103.3 49.2 -68.3 -35.6 -9.3 24.4 9.0 4 142 A G H <> S+ 0 0 36 -3,-0.5 4,-1.5 1,-0.2 -2,-0.2 0.840 108.0 53.0 -72.0 -33.4 -7.7 21.2 10.4 5 143 A Q H X S+ 0 0 101 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.783 105.2 57.4 -70.4 -26.8 -4.4 23.1 11.0 6 144 A A H X S+ 0 0 6 -4,-1.2 4,-1.6 2,-0.2 -2,-0.2 0.890 101.5 54.1 -69.9 -41.9 -6.5 25.6 12.9 7 145 A K H X S+ 0 0 146 -4,-1.4 4,-0.5 1,-0.2 3,-0.3 0.925 106.3 52.6 -58.3 -46.4 -7.8 23.0 15.3 8 146 A C H >< S+ 0 0 74 -4,-1.5 3,-1.4 1,-0.2 4,-0.4 0.877 104.3 56.3 -58.3 -39.9 -4.3 21.9 16.2 9 147 A M H >< S+ 0 0 31 -4,-1.4 3,-2.1 1,-0.3 -1,-0.2 0.893 99.2 60.6 -60.0 -39.5 -3.3 25.5 17.0 10 148 A L H >< S+ 0 0 15 -4,-1.6 3,-1.4 1,-0.3 -1,-0.3 0.658 87.6 73.1 -63.6 -15.6 -6.1 25.6 19.5 11 149 A E T << S+ 0 0 159 -3,-1.4 -1,-0.3 -4,-0.5 3,-0.2 0.750 104.9 40.0 -69.1 -21.3 -4.5 22.8 21.4 12 150 A K T X S+ 0 0 135 -3,-2.1 3,-2.1 -4,-0.4 -1,-0.3 -0.064 74.6 124.5-115.8 31.2 -1.9 25.4 22.4 13 151 A V T < S+ 0 0 4 -3,-1.4 -1,-0.1 1,-0.3 75,-0.1 0.675 73.2 59.7 -64.6 -15.4 -4.4 28.2 23.0 14 152 A G T 3 S+ 0 0 20 -3,-0.2 2,-0.4 -4,-0.1 -1,-0.3 0.434 82.9 105.1 -92.6 0.6 -2.9 28.5 26.5 15 153 A N X - 0 0 82 -3,-2.1 3,-1.8 1,-0.1 73,-0.1 -0.661 68.9-140.6 -86.5 135.6 0.7 29.2 25.2 16 154 A W T 3 S+ 0 0 20 -2,-0.4 215,-0.2 1,-0.3 -1,-0.1 0.713 103.9 57.9 -64.6 -19.5 2.0 32.7 25.5 17 155 A N T 3 S+ 0 0 104 213,-0.1 -1,-0.3 -5,-0.1 -4,-0.1 0.240 73.3 141.8 -95.0 12.1 3.6 32.2 22.0 18 156 A F < - 0 0 12 -3,-1.8 2,-0.9 -6,-0.1 -5,-0.1 -0.267 51.2-133.3 -51.4 139.1 0.3 31.4 20.3 19 157 A D > + 0 0 49 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.787 28.0 176.3-104.4 92.4 0.4 33.0 16.8 20 158 A I H > S+ 0 0 2 -2,-0.9 4,-2.3 1,-0.2 5,-0.2 0.808 78.0 60.1 -64.7 -30.6 -2.9 34.9 16.4 21 159 A F H > S+ 0 0 10 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.941 109.1 42.2 -63.6 -47.0 -1.9 36.2 13.0 22 160 A L H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 112.3 55.4 -65.6 -41.0 -1.5 32.7 11.5 23 161 A F H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 7,-0.2 0.895 108.1 47.9 -59.9 -40.5 -4.7 31.6 13.2 24 162 A D H <>S+ 0 0 36 -4,-2.3 5,-3.2 2,-0.2 6,-0.4 0.861 110.9 51.0 -70.0 -34.9 -6.7 34.4 11.6 25 163 A R H ><5S+ 0 0 150 -4,-1.7 3,-1.6 3,-0.2 -2,-0.2 0.947 110.3 48.9 -66.4 -46.6 -5.2 33.6 8.2 26 164 A L H 3<5S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.822 113.1 47.4 -62.0 -32.9 -6.0 29.9 8.4 27 165 A T T 3<5S- 0 0 25 -4,-1.6 3,-0.3 -5,-0.2 -1,-0.3 0.260 113.0-116.7 -93.5 13.0 -9.6 30.7 9.5 28 166 A N T < 5S- 0 0 159 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.888 82.2 -39.9 54.5 42.0 -10.1 33.2 6.7 29 167 A G S + 0 0 59 -6,-0.4 4,-2.9 -3,-0.3 5,-0.3 0.065 31.4 120.6-107.8 23.6 -12.7 34.1 11.8 31 169 A S H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.903 72.7 48.2 -56.6 -48.0 -10.1 34.2 14.6 32 170 A L H > S+ 0 0 1 -3,-0.2 4,-2.2 1,-0.2 5,-0.3 0.933 117.5 41.8 -61.1 -45.6 -12.3 36.0 17.2 33 171 A V H > S+ 0 0 8 2,-0.2 4,-2.3 3,-0.2 5,-0.3 0.951 118.4 44.1 -66.0 -50.6 -15.3 33.6 16.7 34 172 A S H X S+ 0 0 33 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.926 118.4 43.0 -62.2 -46.1 -13.3 30.4 16.4 35 173 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.940 116.4 45.6 -66.9 -48.3 -11.0 31.2 19.4 36 174 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.4 -2,-0.2 0.892 112.0 51.1 -65.2 -39.3 -13.7 32.5 21.7 37 175 A F H X S+ 0 0 58 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.931 110.7 50.5 -62.9 -42.6 -16.1 29.7 21.0 38 176 A H H X S+ 0 0 52 -4,-1.8 4,-3.0 -5,-0.3 -2,-0.2 0.898 109.3 50.5 -61.2 -41.4 -13.4 27.2 21.7 39 177 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 6,-0.3 0.849 105.6 55.9 -67.0 -33.9 -12.6 29.0 25.0 40 178 A F H <>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 6,-0.8 0.908 113.5 41.6 -63.4 -39.8 -16.3 28.8 26.0 41 179 A S H ><5S+ 0 0 73 -4,-1.8 3,-1.7 3,-0.2 -2,-0.2 0.932 112.5 53.6 -71.2 -46.1 -16.2 25.1 25.5 42 180 A L H 3<5S+ 0 0 95 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.863 112.0 44.7 -57.1 -39.7 -12.8 24.7 27.2 43 181 A H T 3<5S- 0 0 40 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.356 113.2-120.0 -87.7 5.8 -14.0 26.5 30.3 44 182 A G T <>5 + 0 0 13 -3,-1.7 4,-2.7 -5,-0.1 -3,-0.2 0.663 69.0 138.3 65.6 20.5 -17.2 24.5 30.3 45 183 A L H >< + 0 0 0 -5,-2.1 4,-2.1 -6,-0.3 6,-0.3 0.786 62.5 60.9 -67.6 -30.3 -19.3 27.6 30.0 46 184 A I H 4>S+ 0 0 24 -6,-0.8 5,-2.3 2,-0.2 -1,-0.2 0.934 115.3 34.2 -62.9 -44.2 -21.7 26.2 27.4 47 185 A E H >45S+ 0 0 161 3,-0.2 3,-1.1 2,-0.2 -2,-0.2 0.906 115.5 56.3 -75.7 -45.0 -22.8 23.5 29.9 48 186 A Y H 3<5S+ 0 0 149 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.877 120.1 30.1 -55.8 -41.2 -22.5 25.6 33.0 49 187 A F T 3<5S- 0 0 32 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.188 105.3-119.0-108.2 17.7 -24.9 28.3 31.7 50 188 A H T < 5 - 0 0 146 -3,-1.1 -3,-0.2 1,-0.2 2,-0.2 0.877 47.9-174.4 48.3 46.8 -27.1 26.1 29.5 51 189 A L < - 0 0 14 -5,-2.3 2,-0.7 -6,-0.3 -1,-0.2 -0.463 28.7-127.3 -78.3 143.8 -26.1 28.0 26.4 52 190 A D > - 0 0 76 108,-0.3 4,-2.2 -2,-0.2 3,-0.4 -0.799 16.4-150.3 -86.3 114.8 -27.7 27.5 23.0 53 191 A M H > S+ 0 0 108 -2,-0.7 4,-2.1 1,-0.2 5,-0.2 0.763 95.4 58.1 -60.5 -25.4 -24.6 26.9 20.7 54 192 A M H > S+ 0 0 107 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 109.4 43.5 -69.4 -42.7 -26.6 28.4 17.8 55 193 A K H > S+ 0 0 58 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.843 111.0 56.6 -70.8 -33.1 -27.1 31.7 19.7 56 194 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.940 108.3 45.0 -65.2 -46.8 -23.5 31.6 20.9 57 195 A R H X S+ 0 0 121 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.936 113.6 51.0 -62.8 -43.4 -22.1 31.5 17.3 58 196 A R H X S+ 0 0 118 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.922 111.0 48.5 -59.0 -44.4 -24.5 34.2 16.2 59 197 A F H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.934 112.6 47.0 -61.4 -47.9 -23.4 36.4 19.1 60 198 A L H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.875 112.2 50.5 -63.3 -38.1 -19.7 35.9 18.5 61 199 A V H X S+ 0 0 41 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.907 106.7 54.9 -66.8 -41.1 -20.2 36.6 14.8 62 200 A M H X S+ 0 0 49 -4,-2.4 4,-0.7 -5,-0.2 -2,-0.2 0.926 112.5 44.1 -55.5 -46.6 -22.1 39.8 15.5 63 201 A I H >< S+ 0 0 1 -4,-2.0 3,-1.3 2,-0.2 4,-0.3 0.971 113.4 49.3 -62.7 -55.2 -19.2 41.0 17.6 64 202 A Q H >< S+ 0 0 7 -4,-2.8 3,-1.2 1,-0.3 12,-0.2 0.890 112.3 47.1 -53.0 -46.6 -16.5 40.0 15.1 65 203 A E H 3< S+ 0 0 124 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.586 101.8 65.6 -76.3 -9.3 -18.2 41.6 12.2 66 204 A D T << S+ 0 0 74 -3,-1.3 51,-0.4 -4,-0.7 2,-0.3 0.402 83.6 90.2 -92.1 2.3 -18.8 44.9 14.1 67 205 A Y S < S- 0 0 12 -3,-1.2 2,-1.0 -4,-0.3 8,-0.1 -0.703 89.5-113.7 -90.2 150.3 -15.1 45.5 14.3 68 206 A H > - 0 0 46 6,-0.5 3,-1.8 50,-0.4 -2,-0.1 -0.764 24.8-167.6 -89.1 103.8 -13.7 47.6 11.5 69 207 A S T 3 S+ 0 0 106 -2,-1.0 -1,-0.2 1,-0.3 6,-0.1 0.696 84.0 68.5 -64.2 -16.5 -11.3 45.2 9.6 70 208 A Q T 3 S+ 0 0 135 4,-0.1 -1,-0.3 -3,-0.1 5,-0.1 0.677 76.4 96.1 -76.8 -17.2 -10.0 48.3 7.8 71 209 A N S < S- 0 0 14 -3,-1.8 49,-0.1 3,-0.2 174,-0.0 -0.566 75.0-140.9 -71.4 131.8 -8.4 49.6 10.9 72 210 A P S S+ 0 0 28 0, 0.0 -1,-0.2 0, 0.0 170,-0.1 0.851 91.6 5.9 -64.8 -29.1 -4.7 48.5 10.9 73 211 A Y S S+ 0 0 15 168,-0.2 2,-2.2 169,-0.1 5,-0.4 0.769 116.9 66.0-117.8 -54.3 -4.8 47.8 14.7 74 212 A H S S+ 0 0 29 4,-0.1 -6,-0.5 3,-0.1 2,-0.2 -0.445 79.8 108.7 -79.5 74.6 -8.2 48.1 16.3 75 213 A N S >> S- 0 0 15 -2,-2.2 4,-1.7 -8,-0.1 3,-0.7 -0.703 88.1 -76.6-133.1-176.4 -9.9 45.3 14.6 76 214 A A H 3> S+ 0 0 14 1,-0.2 4,-2.3 -12,-0.2 5,-0.1 0.727 124.2 61.0 -60.7 -25.0 -11.2 41.8 15.5 77 215 A V H 3> S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 103.8 49.6 -70.9 -36.4 -7.7 40.3 15.5 78 216 A H H <> S+ 0 0 0 -3,-0.7 4,-2.5 -5,-0.4 -2,-0.2 0.927 111.5 50.3 -64.4 -43.1 -6.6 42.7 18.3 79 217 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.914 110.5 48.4 -61.3 -43.0 -9.8 41.6 20.2 80 218 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.887 110.9 51.9 -64.9 -37.6 -8.9 37.9 19.6 81 219 A D H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.921 110.2 47.5 -63.7 -44.7 -5.4 38.6 20.8 82 220 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.884 111.6 51.3 -64.6 -38.9 -6.6 40.3 24.0 83 221 A T H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.902 109.3 50.0 -65.9 -39.7 -9.0 37.4 24.6 84 222 A Q H X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.900 112.5 47.3 -66.5 -38.4 -6.2 34.8 24.2 85 223 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.927 109.1 53.6 -67.7 -43.8 -4.1 36.8 26.7 86 224 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.879 106.3 54.1 -57.6 -38.6 -7.0 37.1 29.1 87 225 A H H X S+ 0 0 5 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.913 106.3 51.3 -61.7 -43.5 -7.3 33.3 28.9 88 226 A C H < S+ 0 0 6 -4,-1.7 4,-0.3 1,-0.2 3,-0.3 0.878 110.7 49.0 -62.1 -36.8 -3.7 32.8 29.9 89 227 A Y H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 6,-0.3 0.870 104.7 57.5 -71.0 -36.3 -4.1 35.1 32.9 90 228 A L H 3< S+ 0 0 5 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.734 102.1 57.8 -65.9 -20.6 -7.2 33.2 34.0 91 229 A K T 3< S+ 0 0 115 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.606 80.1 111.9 -83.9 -13.0 -5.0 30.1 34.1 92 230 A E S X> S- 0 0 19 -3,-1.4 4,-3.3 -4,-0.3 3,-1.2 -0.404 81.7-113.6 -61.7 136.1 -2.7 31.8 36.6 93 231 A P H 3> S+ 0 0 71 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.806 110.6 50.0 -37.2 -57.3 -2.9 30.1 40.0 94 232 A K H 34 S+ 0 0 97 1,-0.2 -4,-0.1 2,-0.2 -2,-0.0 0.801 120.7 35.6 -61.8 -30.2 -4.4 32.9 42.1 95 233 A L H X> S+ 0 0 1 -3,-1.2 4,-3.1 -6,-0.3 3,-1.9 0.884 113.8 56.1 -87.9 -43.8 -7.2 33.6 39.5 96 234 A A H 3< S+ 0 0 47 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.1 0.866 109.9 47.7 -54.8 -38.4 -7.7 29.9 38.5 97 235 A N T 3< S+ 0 0 131 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.425 122.8 31.5 -85.3 1.6 -8.3 29.0 42.2 98 236 A S T <4 S+ 0 0 10 -3,-1.9 -2,-0.2 -5,-0.1 -3,-0.1 0.642 90.7 95.7-128.5 -29.3 -10.8 31.9 42.8 99 237 A V < - 0 0 23 -4,-3.1 108,-0.0 -9,-0.2 110,-0.0 -0.335 58.8-144.1 -69.9 150.2 -12.8 32.7 39.7 100 238 A T > - 0 0 57 1,-0.1 4,-2.1 -2,-0.0 3,-0.3 -0.615 32.3-100.2-105.1 167.6 -16.2 31.3 39.1 101 239 A P H > S+ 0 0 43 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.886 125.9 55.9 -55.6 -36.2 -17.7 30.2 35.8 102 240 A W H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.897 106.0 49.4 -62.1 -42.4 -19.6 33.5 35.8 103 241 A D H > S+ 0 0 2 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.888 112.1 48.1 -64.2 -40.9 -16.3 35.5 36.2 104 242 A I H X S+ 0 0 19 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.917 110.2 52.5 -65.6 -43.8 -14.8 33.6 33.3 105 243 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.942 113.7 42.8 -56.3 -50.7 -17.9 34.2 31.2 106 244 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.883 112.5 53.6 -64.8 -41.0 -17.8 38.0 31.8 107 245 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.915 111.5 44.4 -61.8 -45.1 -14.0 38.2 31.4 108 246 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.898 114.8 47.5 -69.0 -40.4 -14.0 36.5 28.0 109 247 A I H X S+ 0 0 2 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.927 112.9 50.2 -66.5 -41.7 -17.0 38.5 26.7 110 248 A A H X S+ 0 0 0 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.936 112.1 47.2 -60.8 -46.5 -15.4 41.7 28.0 111 249 A A H < S+ 0 0 0 -4,-2.5 3,-0.5 1,-0.2 4,-0.2 0.932 112.6 49.0 -61.1 -45.1 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2,-0.2 3,-0.3 0.911 116.9 52.6 -84.8 -49.0 4.8 39.0 17.3 235 373 A S H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.876 105.4 56.3 -53.2 -43.2 5.6 42.2 19.1 236 374 A K H X S+ 0 0 83 -4,-3.2 4,-1.8 -5,-0.2 -1,-0.2 0.909 107.2 48.3 -57.4 -45.9 7.2 43.7 16.0 237 375 A Q H X S+ 0 0 66 -4,-0.7 4,-2.0 -3,-0.3 -1,-0.2 0.902 111.1 50.2 -63.0 -42.8 4.1 43.2 13.9 238 376 A W H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.900 108.7 52.9 -63.0 -41.1 1.8 44.7 16.6 239 377 A S H X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.871 109.4 48.3 -62.9 -39.0 4.1 47.8 16.8 240 378 A E H X S+ 0 0 101 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.901 113.0 48.3 -68.6 -40.2 3.9 48.4 13.1 241 379 A K H X S+ 0 0 61 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.915 111.9 46.2 -67.8 -45.0 0.2 48.0 13.0 242 380 A V H X S+ 0 0 20 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.876 113.9 49.6 -68.1 -34.2 -0.6 50.4 15.9 243 381 A T H X S+ 0 0 5 -4,-1.6 4,-2.9 -5,-0.3 -1,-0.2 0.859 106.8 56.0 -71.5 -34.0 1.8 53.0 14.6 244 382 A E H X S+ 0 0 115 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.920 109.7 46.2 -62.0 -43.3 0.2 52.7 11.1 245 383 A E H X S+ 0 0 8 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.919 112.6 49.7 -66.3 -43.8 -3.2 53.5 12.7 246 384 A F H X S+ 0 0 56 -4,-2.2 4,-2.1 1,-0.2 3,-0.3 0.951 111.4 48.6 -59.5 -50.5 -1.8 56.4 14.7 247 385 A F H X S+ 0 0 23 -4,-2.9 4,-2.0 1,-0.2 19,-0.3 0.802 106.2 57.3 -62.1 -29.8 -0.1 58.0 11.7 248 386 A H H X S+ 0 0 105 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.906 106.7 48.6 -68.1 -39.7 -3.2 57.7 9.6 249 387 A Q H X S+ 0 0 6 -4,-1.7 4,-2.5 -3,-0.3 -2,-0.2 0.923 110.6 52.7 -62.5 -42.0 -5.1 59.8 12.2 250 388 A G H X S+ 0 0 3 -4,-2.1 4,-2.5 14,-0.3 -2,-0.2 0.855 104.4 54.8 -61.0 -37.4 -2.2 62.2 12.1 251 389 A D H X S+ 0 0 54 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.891 109.8 47.4 -63.6 -40.1 -2.5 62.4 8.3 252 390 A I H X S+ 0 0 48 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.932 111.5 50.1 -66.2 -46.3 -6.2 63.4 8.7 253 391 A E H <>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 6,-0.7 0.894 114.0 45.1 -60.2 -40.0 -5.4 66.0 11.3 254 392 A K H ><5S+ 0 0 125 -4,-2.5 3,-1.1 3,-0.2 -1,-0.2 0.929 112.3 51.2 -69.2 -44.9 -2.7 67.5 9.2 255 393 A K H 3<5S+ 0 0 147 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.847 119.4 35.5 -61.3 -36.5 -4.8 67.5 6.0 256 394 A Y T 3<5S- 0 0 141 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.147 108.3-115.6-107.9 20.3 -7.7 69.2 7.8 257 395 A H T < 5 + 0 0 171 -3,-1.1 -3,-0.2 -4,-0.2 -4,-0.1 0.877 69.3 138.0 50.6 47.2 -5.8 71.6 10.1 258 396 A L S - 0 0 8 -2,-0.5 3,-1.8 1,-0.1 4,-0.3 -0.245 36.0 -81.8 -69.6 156.7 -2.3 64.5 18.2 262 400 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.317 115.8 14.0 -60.4 142.2 0.6 63.1 20.3 263 401 A L T 3 S+ 0 0 76 -3,-0.1 -13,-0.1 2,-0.1 -16,-0.1 0.460 108.4 90.7 72.4 4.0 2.2 60.0 18.8 264 402 A C < + 0 0 2 -3,-1.8 2,-0.9 -15,-0.1 -14,-0.3 0.460 52.1 100.5-109.9 -1.3 0.4 60.6 15.5 265 403 A D >> - 0 0 35 -4,-0.3 4,-2.5 1,-0.2 3,-0.8 -0.746 46.6-171.3 -90.8 105.2 2.9 62.7 13.5 266 404 A R T 34 S+ 0 0 111 -2,-0.9 -1,-0.2 -19,-0.3 5,-0.1 0.643 85.6 55.3 -68.2 -12.2 4.8 60.5 11.0 267 405 A H T 34 S+ 0 0 124 1,-0.1 -1,-0.2 3,-0.1 3,-0.1 0.695 123.1 18.1 -93.9 -21.7 7.1 63.4 10.3 268 406 A T T <4 S+ 0 0 109 -3,-0.8 2,-0.6 1,-0.2 -2,-0.2 0.525 111.7 71.5-125.8 -12.1 8.3 64.2 13.8 269 407 A E < - 0 0 54 -4,-2.5 2,-0.2 4,-0.0 -1,-0.2 -0.929 69.6-143.7-116.6 115.5 7.6 61.2 15.9 270 408 A S > - 0 0 49 -2,-0.6 4,-2.3 1,-0.1 5,-0.2 -0.478 13.9-135.1 -75.9 141.2 9.7 58.0 15.4 271 409 A I H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.842 108.4 56.9 -61.4 -33.0 8.1 54.6 15.7 272 410 A A H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.948 109.6 42.2 -63.8 -49.6 11.1 53.6 17.8 273 411 A N H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.824 111.9 55.6 -68.0 -31.7 10.6 56.3 20.3 274 412 A I H X S+ 0 0 11 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.951 112.9 41.5 -65.1 -47.8 6.8 55.7 20.4 275 413 A Q H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.913 114.7 50.7 -66.0 -43.9 7.4 52.0 21.3 276 414 A I H X S+ 0 0 19 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.931 112.9 45.8 -60.9 -46.1 10.2 52.7 23.8 277 415 A G H X S+ 0 0 25 -4,-2.4 4,-2.8 2,-0.2 5,-0.4 0.916 112.4 51.0 -63.3 -43.4 8.1 55.4 25.6 278 416 A F H X>S+ 0 0 54 -4,-2.2 5,-2.3 -5,-0.2 4,-1.8 0.915 113.5 44.8 -59.8 -45.5 5.1 53.1 25.6 279 417 A M H <>S+ 0 0 0 -4,-2.6 5,-2.8 3,-0.2 -1,-0.2 0.893 117.2 44.9 -67.5 -40.7 7.0 50.2 27.1 280 418 A T H <5S+ 0 0 37 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.926 125.0 26.9 -70.7 -46.7 8.9 52.3 29.7 281 419 A Y H <5S+ 0 0 179 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.697 134.8 18.8 -94.7 -21.8 6.0 54.4 31.0 282 420 A L T X5S+ 0 0 53 -4,-1.8 4,-1.3 -5,-0.4 -3,-0.2 0.765 124.4 39.9-115.0 -49.1 2.9 52.3 30.5 283 421 A V H > S+ 0 0 37 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.956 114.3 44.5 -60.9 -46.2 4.9 49.8 35.4 286 424 A L H X S+ 0 0 0 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.930 116.0 45.0 -62.9 -47.4 1.7 47.8 34.9 287 425 A F H X S+ 0 0 2 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.721 108.2 57.8 -73.1 -18.5 3.4 44.4 34.4 288 426 A T H X S+ 0 0 67 -4,-1.8 4,-1.0 -5,-0.3 -1,-0.2 0.914 110.5 43.5 -74.4 -42.3 5.8 45.0 37.3 289 427 A E H X S+ 0 0 16 -4,-1.8 4,-1.6 -5,-0.2 3,-0.5 0.892 112.2 53.5 -67.9 -38.8 2.8 45.4 39.6 290 428 A W H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 -1,-0.2 0.906 104.7 55.4 -61.5 -39.1 1.1 42.4 38.0 291 429 A A H < S+ 0 0 10 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.778 103.4 55.3 -64.2 -27.0 4.2 40.4 38.7 292 430 A R H < S+ 0 0 107 -4,-1.0 3,-0.4 -3,-0.5 -1,-0.2 0.888 113.5 41.4 -71.2 -39.4 3.9 41.3 42.4 293 431 A F H < S+ 0 0 3 -4,-1.6 2,-0.6 1,-0.3 -2,-0.2 0.955 129.9 26.3 -71.1 -53.5 0.4 39.9 42.4 294 432 A S S < S- 0 0 2 -4,-3.2 2,-2.0 -5,-0.1 -1,-0.3 -0.801 72.9-173.6-115.5 86.3 1.1 36.8 40.3 295 433 A N + 0 0 129 -2,-0.6 2,-0.2 -3,-0.4 -4,-0.1 -0.524 39.0 129.3 -81.7 74.9 4.8 36.0 40.8 296 434 A T S > S- 0 0 34 -2,-2.0 4,-1.5 1,-0.0 5,-0.1 -0.602 75.8 -97.1-120.9-179.9 5.0 33.3 38.3 297 435 A R H > S+ 0 0 218 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.876 121.6 56.8 -67.4 -37.7 7.1 32.2 35.3 298 436 A L H > S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.925 105.9 49.4 -60.2 -45.2 4.6 33.8 32.9 299 437 A S H > S+ 0 0 1 -5,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.869 113.7 45.8 -63.3 -36.3 4.9 37.2 34.6 300 438 A Q H X S+ 0 0 106 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.870 111.7 52.8 -74.0 -34.6 8.7 36.9 34.4 301 439 A T H X S+ 0 0 62 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.913 109.6 48.5 -64.9 -43.2 8.5 35.8 30.8 302 440 A M H X S+ 0 0 1 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.936 113.3 45.8 -64.1 -45.8 6.4 38.8 29.9 303 441 A L H X S+ 0 0 34 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.855 110.1 56.6 -64.9 -34.0 8.7 41.3 31.6 304 442 A G H X S+ 0 0 37 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.917 106.3 49.2 -63.5 -43.0 11.6 39.6 30.0 305 443 A H H X S+ 0 0 32 -4,-2.1 4,-3.2 -76,-0.3 5,-0.3 0.881 107.4 53.5 -64.9 -39.4 10.2 40.1 26.6 306 444 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.921 109.2 50.8 -62.1 -41.2 9.5 43.8 27.2 307 445 A G H X S+ 0 0 35 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.928 115.0 41.5 -60.7 -46.8 13.1 44.2 28.2 308 446 A L H X S+ 0 0 111 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.948 116.9 46.3 -66.4 -51.0 14.4 42.5 25.1 309 447 A N H X S+ 0 0 2 -4,-3.2 4,-1.7 -81,-0.3 -2,-0.2 0.864 110.8 53.8 -61.4 -36.5 12.0 44.2 22.6 310 448 A K H X S+ 0 0 29 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.906 109.5 48.5 -63.8 -41.3 12.6 47.6 24.2 311 449 A A H X S+ 0 0 57 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.842 106.1 58.0 -67.3 -34.7 16.4 47.0 23.6 312 450 A S H X S+ 0 0 46 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.879 106.3 48.2 -63.8 -39.5 15.7 46.0 20.0 313 451 A W H < S+ 0 0 14 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.877 110.1 51.0 -69.4 -37.8 14.0 49.3 19.3 314 452 A K H >< S+ 0 0 112 -4,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.864 107.9 54.8 -66.3 -33.5 16.8 51.3 20.9 315 453 A G H 3< S+ 0 0 59 -4,-1.9 2,-0.9 1,-0.3 -1,-0.2 0.858 93.2 68.9 -66.7 -35.1 19.2 49.2 18.7 316 454 A L T 3< 0 0 116 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.1 -0.009 360.0 360.0 -74.9 34.1 17.3 50.3 15.6 317 455 A Q < 0 0 134 -2,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.435 360.0 360.0-141.7 360.0 18.7 53.8 16.2