REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3es2_1_A DATA FIRST_RESID 145 DATA SEQUENCE LQASLNLLQE DQNAGRQVQX NXLPVTPWSI EGLEFSHRII PSLYLSGDFV DATA SEQUENCE DYFRVDERRV AFYLADVSGH GASSAFVTVL LKFXTTRLLY ESRRXXXXXX DATA SEQUENCE FKPSEVLAHI NRGLINTKLG KHVTXLGGVI DLEKNSLTYS IGGHLPLPVL DATA SEQUENCE FVEGQAGYLE GRXXXVGLFD DATYDDRVXE LPPXXSLSLF SDGILDVXXG DATA SEQUENCE ATLKEKEASL PEQVAAAGGT LDGLRQVXXX XXXXXXXDDI ALLVLSRN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 145 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 145 L C 0.000 176.867 176.870 -0.005 0.000 1.165 145 L CA 0.000 54.835 54.840 -0.008 0.000 0.813 145 L CB 0.000 42.055 42.059 -0.007 0.000 0.961 146 Q N 3.037 122.834 119.800 -0.005 0.000 2.574 146 Q HA 0.784 5.126 4.340 0.004 0.000 0.265 146 Q C 0.327 176.326 176.000 -0.002 0.000 0.975 146 Q CA 0.698 56.500 55.803 -0.002 0.000 0.923 146 Q CB 1.767 30.506 28.738 0.001 0.000 1.518 146 Q HN 2.822 11.092 8.270 -0.000 0.000 0.401 147 A N 1.921 124.741 122.820 0.000 0.000 3.420 147 A HA -0.250 4.072 4.320 0.004 0.000 0.269 147 A C 1.303 178.887 177.584 0.000 0.000 1.122 147 A CA 2.616 54.654 52.037 0.002 0.000 1.023 147 A CB -2.207 16.796 19.000 0.005 0.000 1.099 147 A HN 2.233 10.383 8.150 -0.000 0.000 0.860 148 S N -3.624 112.074 115.700 -0.004 0.000 1.694 148 S HA -0.412 4.060 4.470 0.004 0.000 0.236 148 S C 1.315 175.909 174.600 -0.011 0.000 0.821 148 S CA 2.496 60.692 58.200 -0.007 0.000 1.530 148 S CB -1.738 61.460 63.200 -0.004 0.000 1.703 148 S HN 2.218 10.528 8.310 -0.000 0.000 0.517 149 L N 3.442 124.662 121.223 -0.005 0.000 1.970 149 L HA 0.055 4.397 4.340 0.004 0.000 0.212 149 L C 2.036 178.898 176.870 -0.013 0.000 1.071 149 L CA 3.237 58.074 54.840 -0.005 0.000 0.751 149 L CB -1.468 40.597 42.059 0.011 0.000 0.889 149 L HN 0.697 8.927 8.230 -0.000 0.000 0.432 150 N N -0.214 118.484 118.700 -0.003 0.000 2.132 150 N HA -0.247 4.495 4.740 0.004 0.000 0.191 150 N C 1.862 177.359 175.510 -0.022 0.000 1.015 150 N CA 1.944 54.992 53.050 -0.003 0.000 0.864 150 N CB -0.488 38.002 38.487 0.004 0.000 1.006 150 N HN 0.447 8.827 8.380 -0.000 0.000 0.430 151 L N 0.619 121.827 121.223 -0.025 0.000 2.056 151 L HA 0.038 4.380 4.340 0.004 0.000 0.207 151 L C 2.199 179.033 176.870 -0.059 0.000 1.078 151 L CA 1.288 56.108 54.840 -0.033 0.000 0.749 151 L CB -0.763 41.282 42.059 -0.024 0.000 0.901 151 L HN 0.222 8.452 8.230 -0.000 0.000 0.433 152 L N -0.682 120.499 121.223 -0.069 0.000 2.046 152 L HA -0.252 4.090 4.340 0.004 0.000 0.208 152 L C 3.023 179.771 176.870 -0.204 0.000 1.077 152 L CA 1.688 56.461 54.840 -0.111 0.000 0.747 152 L CB -1.031 40.973 42.059 -0.091 0.000 0.896 152 L HN 0.486 8.716 8.230 -0.000 0.000 0.432 153 Q N 0.176 119.860 119.800 -0.195 0.000 2.170 153 Q HA -0.219 4.124 4.340 0.004 0.000 0.203 153 Q C 2.142 178.020 176.000 -0.205 0.000 0.976 153 Q CA 1.896 57.522 55.803 -0.296 0.000 0.858 153 Q CB -1.253 27.447 28.738 -0.063 0.000 0.907 153 Q HN 0.686 8.956 8.270 -0.000 0.000 0.433 154 E N 0.930 121.068 120.200 -0.104 0.000 2.208 154 E HA -0.138 4.214 4.350 0.004 0.000 0.193 154 E C 1.745 178.300 176.600 -0.076 0.000 0.988 154 E CA 1.208 57.572 56.400 -0.059 0.000 0.828 154 E CB -0.345 29.336 29.700 -0.032 0.000 0.763 154 E HN 0.735 9.095 8.360 -0.000 0.000 0.478 155 D N -0.414 119.920 120.400 -0.109 0.000 2.183 155 D HA -0.113 4.529 4.640 0.004 0.000 0.205 155 D C 2.064 178.283 176.300 -0.134 0.000 0.962 155 D CA 0.867 54.808 54.000 -0.098 0.000 0.849 155 D CB 0.015 40.763 40.800 -0.087 0.000 0.978 155 D HN 0.280 8.650 8.370 -0.000 0.000 0.488 156 Q N 0.383 120.032 119.800 -0.253 0.000 2.124 156 Q HA -0.083 4.259 4.340 0.004 0.000 0.202 156 Q C 1.851 177.767 176.000 -0.140 0.000 0.977 156 Q CA 0.813 56.421 55.803 -0.324 0.000 0.850 156 Q CB -0.416 27.787 28.738 -0.892 0.000 0.901 156 Q HN 0.379 8.649 8.270 -0.000 0.000 0.429 157 N N 0.979 119.623 118.700 -0.093 0.000 2.166 157 N HA -0.115 4.628 4.740 0.004 0.000 0.186 157 N C 1.622 177.149 175.510 0.028 0.000 1.019 157 N CA 1.308 54.393 53.050 0.058 0.000 0.856 157 N CB -0.271 38.256 38.487 0.067 0.000 0.993 157 N HN 0.241 8.621 8.380 -0.000 0.000 0.426 158 A N 0.255 123.069 122.820 -0.010 0.000 2.070 158 A HA 0.052 4.374 4.320 0.004 0.000 0.220 158 A C 2.256 179.834 177.584 -0.009 0.000 1.159 158 A CA 1.695 53.727 52.037 -0.008 0.000 0.656 158 A CB -0.721 18.267 19.000 -0.019 0.000 0.800 158 A HN 0.370 8.520 8.150 -0.000 0.000 0.453 159 G N -1.011 107.777 108.800 -0.020 0.000 2.545 159 G HA2 -0.041 3.921 3.960 0.004 0.000 0.212 159 G HA3 -0.041 3.921 3.960 0.004 0.000 0.212 159 G C 1.629 176.532 174.900 0.004 0.000 1.144 159 G CA 0.622 45.703 45.100 -0.031 0.000 0.813 159 G HN 0.519 8.809 8.290 -0.000 0.000 0.531 160 R N -0.027 120.500 120.500 0.045 0.000 2.066 160 R HA -0.045 4.297 4.340 0.004 0.000 0.232 160 R C 2.887 179.221 176.300 0.057 0.000 1.131 160 R CA 2.072 58.217 56.100 0.075 0.000 0.955 160 R CB -0.396 29.983 30.300 0.130 0.000 0.851 160 R HN 0.378 8.648 8.270 -0.000 0.000 0.432 161 Q N 0.231 120.060 119.800 0.048 0.000 2.297 161 Q HA -0.004 4.338 4.340 0.004 0.000 0.204 161 Q C 1.997 178.017 176.000 0.034 0.000 0.962 161 Q CA 1.428 57.255 55.803 0.040 0.000 0.879 161 Q CB -0.690 28.068 28.738 0.034 0.000 0.947 161 Q HN 0.335 8.605 8.270 -0.000 0.000 0.462 162 V N 0.106 120.035 119.914 0.026 0.000 2.871 162 V HA -0.068 4.054 4.120 0.004 0.000 0.256 162 V C 0.983 177.101 176.094 0.040 0.000 1.082 162 V CA 1.007 63.320 62.300 0.023 0.000 1.105 162 V CB -0.074 31.752 31.823 0.004 0.000 0.713 162 V HN 0.788 8.978 8.190 -0.000 0.000 0.473 168 P HA 0.480 4.900 4.420 -0.000 0.000 0.271 168 P C -0.504 176.861 177.300 0.109 0.000 1.244 168 P CA -0.507 62.524 63.100 -0.115 0.000 0.793 168 P CB 0.523 32.005 31.700 -0.364 0.000 0.984 169 V N -2.300 117.666 119.914 0.086 0.000 3.134 169 V HA 0.810 4.932 4.120 0.004 0.000 0.313 169 V C 0.063 176.257 176.094 0.165 0.000 1.069 169 V CA -0.403 61.951 62.300 0.090 0.000 1.048 169 V CB 1.023 32.860 31.823 0.024 0.000 1.119 169 V HN 0.795 8.985 8.190 -0.000 0.000 0.461 170 T N -0.832 113.749 114.554 0.045 0.000 2.900 170 T HA 0.743 5.096 4.350 0.004 0.000 0.303 170 T C -3.138 171.574 174.700 0.019 0.000 1.142 170 T CA -1.325 60.793 62.100 0.029 0.000 1.007 170 T CB 1.448 70.201 68.868 -0.191 0.000 1.156 170 T HN 0.743 8.983 8.240 -0.000 0.000 0.490 171 P HA 0.344 4.764 4.420 -0.000 0.000 0.284 171 P C -1.520 175.870 177.300 0.149 0.000 1.432 171 P CA -0.321 62.808 63.100 0.048 0.000 0.929 171 P CB 0.072 31.758 31.700 -0.023 0.000 1.158 172 W N 4.071 125.390 121.300 0.032 0.000 2.356 172 W HA 0.535 5.196 4.660 0.003 0.000 0.311 172 W C -0.360 176.186 176.519 0.045 0.000 1.328 172 W CA -0.132 57.251 57.345 0.063 0.000 1.251 172 W CB 0.091 29.639 29.460 0.147 0.000 1.280 172 W HN 0.452 8.632 8.180 -0.000 0.000 0.524 173 S N 5.955 121.481 115.700 -0.290 0.000 2.503 173 S HA 0.804 5.277 4.470 0.004 0.000 0.301 173 S C -1.126 173.146 174.600 -0.548 0.000 1.087 173 S CA -0.852 57.100 58.200 -0.414 0.000 1.042 173 S CB 0.748 63.826 63.200 -0.204 0.000 1.043 173 S HN 0.591 8.901 8.310 -0.000 0.000 0.489 174 I N -1.201 119.069 120.570 -0.499 0.000 2.607 174 I HA 0.605 4.777 4.170 0.004 0.000 0.290 174 I C -0.062 175.936 176.117 -0.197 0.000 1.129 174 I CA -0.650 60.447 61.300 -0.339 0.000 1.042 174 I CB 1.754 39.491 38.000 -0.438 0.000 1.242 174 I HN 0.551 8.761 8.210 -0.000 0.000 0.421 175 E N 3.815 123.946 120.200 -0.115 0.000 2.403 175 E HA -0.255 4.097 4.350 0.004 0.000 0.241 175 E C 1.092 177.627 176.600 -0.108 0.000 1.201 175 E CA 1.318 57.668 56.400 -0.084 0.000 0.721 175 E CB -1.706 27.958 29.700 -0.061 0.000 1.245 175 E HN 1.721 10.081 8.360 -0.000 0.000 0.392 176 G N -0.581 108.141 108.800 -0.130 0.000 2.137 176 G HA2 -0.310 3.652 3.960 0.004 0.000 0.237 176 G HA3 -0.310 3.652 3.960 0.004 0.000 0.237 176 G C 0.101 174.880 174.900 -0.202 0.000 1.002 176 G CA 0.299 45.314 45.100 -0.142 0.000 0.702 176 G HN 0.287 8.577 8.290 -0.000 0.000 0.515 177 L N 0.796 121.863 121.223 -0.261 0.000 2.324 177 L HA 0.404 4.746 4.340 0.004 0.000 0.274 177 L C 0.437 177.023 176.870 -0.472 0.000 1.012 177 L CA -0.552 54.051 54.840 -0.395 0.000 0.859 177 L CB 1.648 43.460 42.059 -0.411 0.000 1.224 177 L HN 0.305 8.535 8.230 -0.000 0.000 0.429 178 E N 4.072 124.003 120.200 -0.449 0.000 1.865 178 E HA 0.154 4.506 4.350 0.004 0.000 0.269 178 E C -0.989 175.319 176.600 -0.486 0.000 1.177 178 E CA -0.584 55.594 56.400 -0.371 0.000 0.932 178 E CB 0.326 29.871 29.700 -0.258 0.000 1.066 178 E HN 0.275 8.635 8.360 -0.000 0.000 0.405 179 F N 2.635 122.315 119.950 -0.449 0.000 2.444 179 F HA 0.194 4.723 4.527 0.003 0.000 0.360 179 F C 0.337 175.909 175.800 -0.380 0.000 1.106 179 F CA 0.231 57.866 58.000 -0.608 0.000 1.170 179 F CB 1.191 39.572 39.000 -1.032 0.000 1.113 179 F HN 0.202 8.502 8.300 -0.000 0.000 0.521 180 S N 2.584 118.216 115.700 -0.113 0.000 2.550 180 S HA 0.503 4.975 4.470 0.004 0.000 0.270 180 S C -1.193 173.448 174.600 0.069 0.000 1.145 180 S CA -0.897 57.301 58.200 -0.004 0.000 0.852 180 S CB 2.034 65.187 63.200 -0.078 0.000 1.119 180 S HN 0.733 9.043 8.310 -0.000 0.000 0.465 181 H N 0.121 119.252 119.070 0.101 0.000 2.960 181 H HA 0.833 5.391 4.556 0.003 0.000 0.338 181 H C -1.233 174.110 175.328 0.024 0.000 1.261 181 H CA -1.113 54.970 56.048 0.059 0.000 1.136 181 H CB 1.582 31.398 29.762 0.090 0.000 1.875 181 H HN 0.508 8.788 8.280 -0.000 0.000 0.550 182 R N 1.517 122.132 120.500 0.193 0.000 2.569 182 R HA 0.422 4.764 4.340 0.004 0.000 0.293 182 R C -1.999 174.377 176.300 0.127 0.000 1.186 182 R CA -0.347 55.827 56.100 0.123 0.000 0.956 182 R CB 0.104 30.438 30.300 0.056 0.000 1.196 182 R HN 0.720 8.990 8.270 -0.000 0.000 0.444 183 I N 5.879 126.528 120.570 0.132 0.000 2.354 183 I HA 0.460 4.632 4.170 0.004 0.000 0.292 183 I C -0.077 176.069 176.117 0.048 0.000 0.989 183 I CA -0.831 60.511 61.300 0.069 0.000 1.188 183 I CB 1.720 39.737 38.000 0.028 0.000 1.342 183 I HN 0.521 8.731 8.210 -0.000 0.000 0.457 184 I N 8.071 128.662 120.570 0.035 0.000 2.405 184 I HA 0.317 4.490 4.170 0.004 0.000 0.280 184 I C -2.347 173.771 176.117 0.002 0.000 1.027 184 I CA -1.894 59.415 61.300 0.015 0.000 1.161 184 I CB 1.222 39.229 38.000 0.012 0.000 1.300 184 I HN 0.219 8.429 8.210 -0.000 0.000 0.463 185 P HA 0.112 4.532 4.420 -0.000 0.000 0.272 185 P C 0.530 177.801 177.300 -0.048 0.000 1.223 185 P CA -0.132 62.963 63.100 -0.009 0.000 0.784 185 P CB 0.975 32.675 31.700 0.001 0.000 0.923 186 S N 1.972 117.637 115.700 -0.058 0.000 2.384 186 S HA 0.090 4.562 4.470 0.004 0.000 0.217 186 S C 0.754 175.314 174.600 -0.067 0.000 1.041 186 S CA 0.519 58.656 58.200 -0.105 0.000 0.948 186 S CB -0.262 62.789 63.200 -0.248 0.000 0.872 186 S HN 0.217 8.527 8.310 -0.000 0.000 0.512 187 L N 2.154 123.404 121.223 0.046 0.000 2.599 187 L HA 0.484 4.826 4.340 0.004 0.000 0.241 187 L C -0.417 176.613 176.870 0.266 0.000 1.207 187 L CA -0.387 54.541 54.840 0.147 0.000 0.987 187 L CB -1.308 40.922 42.059 0.285 0.000 1.318 187 L HN 0.420 8.650 8.230 -0.000 0.000 0.458 188 Y N -1.206 119.114 120.300 0.034 0.000 2.736 188 Y HA -0.421 4.131 4.550 0.003 0.000 0.479 188 Y C 0.815 176.727 175.900 0.019 0.000 1.110 188 Y CA 1.561 59.673 58.100 0.021 0.000 2.900 188 Y CB -1.252 37.216 38.460 0.014 0.000 1.048 188 Y HN 0.364 8.644 8.280 -0.000 0.000 0.588 189 L N 0.838 122.182 121.223 0.201 0.000 2.375 189 L HA 0.823 5.165 4.340 0.004 0.000 0.268 189 L C 0.100 177.029 176.870 0.098 0.000 1.058 189 L CA -0.428 54.472 54.840 0.099 0.000 0.803 189 L CB 1.863 43.935 42.059 0.022 0.000 1.212 189 L HN 0.296 8.526 8.230 -0.000 0.000 0.451 190 S N -0.802 114.946 115.700 0.081 0.000 2.541 190 S HA 0.683 5.155 4.470 0.004 0.000 0.280 190 S C 0.465 175.125 174.600 0.100 0.000 1.112 190 S CA -0.234 58.024 58.200 0.096 0.000 0.925 190 S CB 1.312 64.562 63.200 0.084 0.000 1.067 190 S HN 1.041 9.351 8.310 -0.000 0.000 0.479 191 G N 0.263 109.131 108.800 0.113 0.000 2.623 191 G HA2 0.156 4.119 3.960 0.004 0.000 0.214 191 G HA3 0.156 4.119 3.960 0.004 0.000 0.214 191 G C -0.350 174.632 174.900 0.136 0.000 1.138 191 G CA -0.049 45.115 45.100 0.107 0.000 0.794 191 G HN 0.695 8.985 8.290 -0.000 0.000 0.535 192 D N -0.185 120.297 120.400 0.136 0.000 2.308 192 D HA 0.494 5.136 4.640 0.004 0.000 0.251 192 D C -1.028 175.389 176.300 0.196 0.000 1.127 192 D CA -0.060 54.027 54.000 0.145 0.000 0.876 192 D CB 1.511 42.370 40.800 0.097 0.000 1.176 192 D HN 0.072 8.442 8.370 -0.000 0.000 0.446 193 F N 2.045 122.009 119.950 0.023 0.000 2.601 193 F HA 0.554 5.083 4.527 0.003 0.000 0.309 193 F C -1.506 174.222 175.800 -0.120 0.000 1.089 193 F CA -0.948 57.035 58.000 -0.030 0.000 0.940 193 F CB 1.618 40.636 39.000 0.031 0.000 1.273 193 F HN 0.115 8.415 8.300 -0.000 0.000 0.450 194 V N 4.402 123.730 119.914 -0.976 0.000 2.623 194 V HA 0.616 4.738 4.120 0.004 0.000 0.304 194 V C -2.119 173.305 176.094 -1.118 0.000 1.054 194 V CA -0.096 61.697 62.300 -0.845 0.000 0.882 194 V CB 1.825 33.310 31.823 -0.564 0.000 1.002 194 V HN 0.827 9.017 8.190 -0.000 0.000 0.424 195 D N 4.839 124.668 120.400 -0.951 0.000 2.964 195 D HA 0.526 5.168 4.640 0.004 0.000 0.234 195 D C -1.564 174.548 176.300 -0.314 0.000 1.223 195 D CA -0.129 53.519 54.000 -0.587 0.000 0.889 195 D CB 1.737 42.577 40.800 0.067 0.000 1.609 195 D HN 0.595 8.965 8.370 -0.000 0.000 0.523 196 Y N 1.508 121.794 120.300 -0.024 0.000 2.329 196 Y HA 0.662 5.214 4.550 0.003 0.000 0.328 196 Y C -1.212 174.694 175.900 0.011 0.000 0.992 196 Y CA -1.528 56.498 58.100 -0.124 0.000 1.151 196 Y CB 0.691 38.953 38.460 -0.331 0.000 1.150 196 Y HN 0.133 8.413 8.280 -0.000 0.000 0.450 197 F N -0.198 119.866 119.950 0.190 0.000 2.495 197 F HA 0.974 5.502 4.527 0.002 0.000 0.327 197 F C 0.215 176.127 175.800 0.187 0.000 1.103 197 F CA -1.736 56.368 58.000 0.173 0.000 0.949 197 F CB 0.719 39.778 39.000 0.097 0.000 1.142 197 F HN 0.793 9.093 8.300 -0.000 0.000 0.457 198 R N 0.645 121.392 120.500 0.412 0.000 2.694 198 R HA 0.630 4.972 4.340 0.004 0.000 0.268 198 R C -0.845 175.623 176.300 0.281 0.000 1.061 198 R CA -0.073 56.218 56.100 0.318 0.000 1.133 198 R CB 0.383 30.948 30.300 0.442 0.000 1.020 198 R HN 0.853 9.123 8.270 -0.000 0.000 0.475 199 V N 2.810 122.841 119.914 0.195 0.000 2.405 199 V HA 0.220 4.342 4.120 0.004 0.000 0.253 199 V C -0.152 176.013 176.094 0.119 0.000 0.963 199 V CA 0.481 62.886 62.300 0.174 0.000 1.003 199 V CB 0.012 31.935 31.823 0.166 0.000 1.251 199 V HN 1.243 9.433 8.190 -0.000 0.000 0.520 200 D N 0.920 121.388 120.400 0.114 0.000 2.876 200 D HA -0.297 4.345 4.640 0.004 0.000 0.196 200 D C 0.426 176.774 176.300 0.080 0.000 1.014 200 D CA 1.692 55.743 54.000 0.085 0.000 1.012 200 D CB -1.487 39.352 40.800 0.066 0.000 1.080 200 D HN 0.710 9.080 8.370 -0.000 0.000 0.438 201 E N -4.208 116.046 120.200 0.091 0.000 4.209 201 E HA -0.316 4.036 4.350 0.004 0.000 0.398 201 E C 1.644 178.279 176.600 0.058 0.000 0.551 201 E CA 2.005 58.450 56.400 0.076 0.000 1.443 201 E CB -1.867 27.872 29.700 0.066 0.000 1.896 201 E HN 0.698 9.058 8.360 -0.000 0.000 0.371 202 R N 1.592 122.126 120.500 0.057 0.000 2.075 202 R HA 0.144 4.486 4.340 0.004 0.000 0.232 202 R C 1.409 177.740 176.300 0.052 0.000 1.126 202 R CA 2.103 58.232 56.100 0.048 0.000 0.963 202 R CB -0.513 29.814 30.300 0.044 0.000 0.858 202 R HN 0.259 8.529 8.270 -0.000 0.000 0.435 203 R N -2.110 118.427 120.500 0.063 0.000 2.774 203 R HA 0.689 5.032 4.340 0.004 0.000 0.272 203 R C -1.705 174.640 176.300 0.076 0.000 1.000 203 R CA -0.816 55.325 56.100 0.067 0.000 0.906 203 R CB 2.783 33.118 30.300 0.059 0.000 1.227 203 R HN 0.058 8.328 8.270 -0.000 0.000 0.468 204 V N 1.316 121.280 119.914 0.083 0.000 2.525 204 V HA 0.649 4.772 4.120 0.004 0.000 0.299 204 V C -0.510 175.609 176.094 0.042 0.000 1.034 204 V CA -0.766 61.570 62.300 0.060 0.000 0.863 204 V CB 1.696 33.580 31.823 0.102 0.000 0.999 204 V HN 0.952 9.142 8.190 -0.000 0.000 0.423 205 A N 5.210 127.908 122.820 -0.203 0.000 2.282 205 A HA 1.071 5.393 4.320 0.004 0.000 0.319 205 A C -0.805 176.605 177.584 -0.289 0.000 1.121 205 A CA -0.357 51.434 52.037 -0.410 0.000 0.836 205 A CB 0.987 19.452 19.000 -0.892 0.000 1.146 205 A HN 1.434 9.584 8.150 -0.000 0.000 0.494 206 F N -1.726 118.096 119.950 -0.212 0.000 2.769 206 F HA 0.674 5.203 4.527 0.003 0.000 0.313 206 F C -1.259 174.666 175.800 0.208 0.000 1.146 206 F CA -1.290 56.700 58.000 -0.016 0.000 0.934 206 F CB 0.704 39.739 39.000 0.058 0.000 1.283 206 F HN 1.051 9.351 8.300 -0.000 0.000 0.443 207 Y N 1.133 121.570 120.300 0.228 0.000 2.702 207 Y HA 0.781 5.333 4.550 0.003 0.000 0.336 207 Y C -2.604 173.414 175.900 0.196 0.000 1.203 207 Y CA -1.734 56.453 58.100 0.145 0.000 1.072 207 Y CB 1.406 39.900 38.460 0.057 0.000 1.327 207 Y HN 1.004 9.284 8.280 -0.000 0.000 0.456 208 L N 2.749 124.123 121.223 0.252 0.000 2.376 208 L HA 0.984 5.326 4.340 0.004 0.000 0.275 208 L C -1.215 175.821 176.870 0.277 0.000 0.987 208 L CA -0.665 54.260 54.840 0.140 0.000 0.828 208 L CB 1.623 43.746 42.059 0.108 0.000 1.249 208 L HN 1.038 9.268 8.230 -0.000 0.000 0.409 209 A N 3.298 126.294 122.820 0.294 0.000 2.318 209 A HA 0.633 4.955 4.320 0.004 0.000 0.317 209 A C -1.327 176.389 177.584 0.220 0.000 1.159 209 A CA -0.516 51.710 52.037 0.315 0.000 0.799 209 A CB 0.811 20.074 19.000 0.438 0.000 1.194 209 A HN 0.652 8.802 8.150 -0.000 0.000 0.479 210 D N 2.762 123.270 120.400 0.180 0.000 2.381 210 D HA 0.455 5.097 4.640 0.004 0.000 0.235 210 D C -0.609 175.760 176.300 0.115 0.000 1.068 210 D CA -0.036 54.051 54.000 0.145 0.000 0.832 210 D CB 1.557 42.440 40.800 0.138 0.000 1.101 210 D HN 0.191 8.561 8.370 -0.000 0.000 0.515 211 V N 2.853 122.822 119.914 0.091 0.000 2.686 211 V HA 0.258 4.381 4.120 0.004 0.000 0.295 211 V C 0.683 176.763 176.094 -0.024 0.000 1.057 211 V CA -0.810 61.506 62.300 0.026 0.000 1.012 211 V CB 1.500 33.348 31.823 0.041 0.000 1.006 211 V HN 0.754 8.944 8.190 -0.000 0.000 0.477 212 S N 3.620 119.212 115.700 -0.180 0.000 2.544 212 S HA 0.431 4.903 4.470 0.004 0.000 0.290 212 S C 0.699 175.274 174.600 -0.042 0.000 1.276 212 S CA 0.120 58.195 58.200 -0.208 0.000 1.075 212 S CB -0.037 62.846 63.200 -0.528 0.000 0.849 212 S HN 2.131 10.441 8.310 -0.000 0.000 0.494 213 G N 2.643 111.465 108.800 0.037 0.000 2.569 213 G HA2 -0.109 3.854 3.960 0.004 0.000 0.259 213 G HA3 -0.109 3.854 3.960 0.004 0.000 0.259 213 G C -0.238 174.757 174.900 0.158 0.000 1.263 213 G CA 0.164 45.316 45.100 0.087 0.000 0.928 213 G HN 2.164 10.454 8.290 -0.000 0.000 0.572 214 H N -1.054 118.035 119.070 0.032 0.000 2.960 214 H HA 0.691 5.249 4.556 0.003 0.000 0.323 214 H C 0.425 175.776 175.328 0.038 0.000 1.326 214 H CA 0.340 56.409 56.048 0.036 0.000 1.124 214 H CB 1.327 31.113 29.762 0.040 0.000 1.853 214 H HN 2.724 11.004 8.280 -0.000 0.000 0.536 215 G N -0.546 108.297 108.800 0.072 0.000 2.409 215 G HA2 0.127 4.090 3.960 0.004 0.000 0.421 215 G HA3 0.127 4.090 3.960 0.004 0.000 0.421 215 G C 0.666 175.568 174.900 0.003 0.000 1.259 215 G CA 0.727 45.829 45.100 0.004 0.000 1.011 215 G HN 1.193 9.483 8.290 -0.000 0.000 0.497 216 A N -0.406 122.405 122.820 -0.016 0.000 1.877 216 A HA 0.130 4.452 4.320 0.004 0.000 0.216 216 A C 2.946 180.528 177.584 -0.003 0.000 1.186 216 A CA 3.709 55.694 52.037 -0.086 0.000 0.620 216 A CB -1.190 17.799 19.000 -0.018 0.000 0.822 216 A HN 2.428 10.578 8.150 -0.000 0.000 0.443 217 S N 0.797 116.598 115.700 0.167 0.000 2.374 217 S HA -0.236 4.237 4.470 0.004 0.000 0.227 217 S C 2.151 176.881 174.600 0.217 0.000 1.037 217 S CA 2.241 60.614 58.200 0.290 0.000 1.024 217 S CB -1.089 62.186 63.200 0.124 0.000 0.861 217 S HN 0.989 9.299 8.310 -0.000 0.000 0.456 218 S N 2.620 118.374 115.700 0.090 0.000 2.383 218 S HA 0.196 4.668 4.470 0.004 0.000 0.227 218 S C 2.144 176.773 174.600 0.049 0.000 1.026 218 S CA 0.774 59.013 58.200 0.064 0.000 0.981 218 S CB -1.032 62.202 63.200 0.056 0.000 0.818 218 S HN 0.868 9.178 8.310 -0.000 0.000 0.472 219 A N 1.145 123.953 122.820 -0.020 0.000 1.972 219 A HA 0.099 4.421 4.320 0.004 0.000 0.219 219 A C 1.874 179.381 177.584 -0.128 0.000 1.169 219 A CA 1.217 53.193 52.037 -0.101 0.000 0.635 219 A CB -1.126 17.751 19.000 -0.204 0.000 0.810 219 A HN 0.548 8.698 8.150 -0.000 0.000 0.446 220 F N -0.081 119.858 119.950 -0.019 0.000 2.126 220 F HA -0.204 4.325 4.527 0.003 0.000 0.299 220 F C 2.412 178.179 175.800 -0.054 0.000 1.096 220 F CA 1.533 59.509 58.000 -0.041 0.000 1.255 220 F CB -0.411 38.565 39.000 -0.041 0.000 0.997 220 F HN 0.049 8.349 8.300 -0.000 0.000 0.479 221 V N 0.012 120.015 119.914 0.147 0.000 2.343 221 V HA -0.326 3.796 4.120 0.004 0.000 0.247 221 V C 2.586 178.685 176.094 0.008 0.000 1.051 221 V CA 2.259 64.599 62.300 0.066 0.000 1.036 221 V CB -1.516 30.338 31.823 0.052 0.000 0.654 221 V HN 0.586 8.776 8.190 -0.000 0.000 0.451 222 T N -1.108 113.429 114.554 -0.027 0.000 2.759 222 T HA -0.210 4.142 4.350 0.004 0.000 0.269 222 T C 1.806 176.322 174.700 -0.307 0.000 1.042 222 T CA 1.917 63.924 62.100 -0.155 0.000 1.140 222 T CB -0.739 68.035 68.868 -0.156 0.000 0.864 222 T HN 0.249 8.489 8.240 -0.000 0.000 0.455 223 V N 2.112 121.912 119.914 -0.190 0.000 2.252 223 V HA -0.158 3.964 4.120 0.004 0.000 0.249 223 V C 2.872 178.927 176.094 -0.064 0.000 1.056 223 V CA 2.047 64.258 62.300 -0.148 0.000 1.022 223 V CB -0.962 30.832 31.823 -0.048 0.000 0.641 223 V HN 0.481 8.671 8.190 -0.000 0.000 0.445 224 L N -0.700 120.512 121.223 -0.018 0.000 1.997 224 L HA -0.258 4.084 4.340 0.004 0.000 0.216 224 L C 2.493 179.414 176.870 0.086 0.000 1.074 224 L CA 1.817 56.683 54.840 0.044 0.000 0.763 224 L CB -0.730 41.342 42.059 0.021 0.000 0.890 224 L HN 0.321 8.551 8.230 -0.000 0.000 0.434 225 L N -0.240 120.989 121.223 0.010 0.000 1.971 225 L HA -0.273 4.070 4.340 0.004 0.000 0.215 225 L C 2.693 179.584 176.870 0.034 0.000 1.072 225 L CA 1.583 56.431 54.840 0.015 0.000 0.758 225 L CB -0.713 41.364 42.059 0.031 0.000 0.889 225 L HN 0.212 8.442 8.230 -0.000 0.000 0.433 226 K N 0.333 120.697 120.400 -0.061 0.000 2.160 226 K HA -0.180 4.142 4.320 0.004 0.000 0.206 226 K C 0.806 177.437 176.600 0.051 0.000 1.047 226 K CA 0.978 57.262 56.287 -0.005 0.000 0.930 226 K CB -0.442 31.929 32.500 -0.215 0.000 0.720 226 K HN 0.099 8.349 8.250 -0.000 0.000 0.450 230 T N 0.357 114.678 114.554 -0.388 0.000 3.035 230 T HA 0.143 4.495 4.350 0.004 0.000 0.268 230 T C 1.858 176.317 174.700 -0.402 0.000 1.109 230 T CA 1.089 62.938 62.100 -0.419 0.000 1.119 230 T CB -0.211 68.476 68.868 -0.302 0.000 0.900 230 T HN 0.522 8.762 8.240 -0.000 0.000 0.503 231 R N 0.621 120.845 120.500 -0.460 0.000 2.075 231 R HA 0.215 4.558 4.340 0.004 0.000 0.226 231 R C 2.331 178.454 176.300 -0.296 0.000 1.114 231 R CA 0.600 56.450 56.100 -0.415 0.000 0.972 231 R CB -0.370 29.637 30.300 -0.488 0.000 0.869 231 R HN 0.389 8.659 8.270 -0.000 0.000 0.437 232 L N 0.819 121.845 121.223 -0.328 0.000 2.131 232 L HA -0.169 4.173 4.340 0.004 0.000 0.210 232 L C 2.329 179.071 176.870 -0.213 0.000 1.092 232 L CA 0.945 55.608 54.840 -0.295 0.000 0.759 232 L CB -0.366 41.481 42.059 -0.353 0.000 0.903 232 L HN 0.279 8.509 8.230 -0.000 0.000 0.435 233 L N -1.013 120.058 121.223 -0.253 0.000 1.994 233 L HA -0.278 4.064 4.340 0.004 0.000 0.208 233 L C 3.204 179.992 176.870 -0.136 0.000 1.071 233 L CA 2.189 56.910 54.840 -0.199 0.000 0.745 233 L CB -1.171 40.707 42.059 -0.302 0.000 0.892 233 L HN 0.423 8.653 8.230 -0.000 0.000 0.431 234 Y N 0.207 120.415 120.300 -0.155 0.000 2.293 234 Y HA -0.204 4.348 4.550 0.004 0.000 0.291 234 Y C 2.387 178.235 175.900 -0.086 0.000 1.137 234 Y CA 1.900 59.934 58.100 -0.110 0.000 1.202 234 Y CB -0.523 37.866 38.460 -0.119 0.000 0.990 234 Y HN 0.395 8.675 8.280 -0.000 0.000 0.537 235 E N -0.058 120.081 120.200 -0.102 0.000 2.340 235 E HA 0.039 4.391 4.350 0.004 0.000 0.194 235 E C 0.271 176.833 176.600 -0.063 0.000 0.996 235 E CA 0.547 56.901 56.400 -0.077 0.000 0.869 235 E CB 0.018 29.667 29.700 -0.084 0.000 0.835 235 E HN 0.496 8.856 8.360 -0.000 0.000 0.493 236 S N 1.814 117.470 115.700 -0.072 0.000 2.430 236 S HA 0.185 4.657 4.470 0.004 0.000 0.282 236 S C 0.380 174.963 174.600 -0.028 0.000 1.186 236 S CA -0.446 57.725 58.200 -0.049 0.000 1.060 236 S CB 0.734 63.904 63.200 -0.049 0.000 0.966 236 S HN 0.180 8.490 8.310 -0.000 0.000 0.501 237 R N 2.797 123.285 120.500 -0.019 0.000 2.404 237 R HA 0.182 4.524 4.340 0.004 0.000 0.236 237 R C 0.484 176.782 176.300 -0.002 0.000 1.044 237 R CA 0.213 56.307 56.100 -0.010 0.000 1.133 237 R CB -0.320 29.975 30.300 -0.008 0.000 1.142 237 R HN 0.555 8.825 8.270 -0.000 0.000 0.512 246 K N 1.901 122.297 120.400 -0.007 0.000 2.180 246 K HA 0.430 4.752 4.320 0.004 0.000 0.251 246 K C -1.941 174.642 176.600 -0.028 0.000 1.014 246 K CA -1.079 55.199 56.287 -0.015 0.000 0.913 246 K CB 1.284 33.779 32.500 -0.009 0.000 1.008 246 K HN 0.318 8.568 8.250 -0.000 0.000 0.490 247 P HA -0.064 4.356 4.420 -0.000 0.000 0.216 247 P C 1.166 178.410 177.300 -0.092 0.000 1.154 247 P CA 1.062 64.120 63.100 -0.070 0.000 0.857 247 P CB 0.056 31.706 31.700 -0.083 0.000 0.787 248 S N 0.180 115.826 115.700 -0.091 0.000 2.465 248 S HA -0.190 4.282 4.470 0.004 0.000 0.241 248 S C 1.801 176.325 174.600 -0.127 0.000 1.000 248 S CA 1.024 59.138 58.200 -0.143 0.000 0.964 248 S CB -1.265 61.907 63.200 -0.047 0.000 0.763 248 S HN 0.210 8.520 8.310 -0.000 0.000 0.512 249 E N 0.625 120.800 120.200 -0.043 0.000 2.209 249 E HA -0.092 4.260 4.350 0.004 0.000 0.196 249 E C 1.785 178.377 176.600 -0.013 0.000 0.993 249 E CA 1.273 57.673 56.400 -0.000 0.000 0.819 249 E CB -0.269 29.434 29.700 0.004 0.000 0.745 249 E HN 0.500 8.860 8.360 -0.000 0.000 0.477 250 V N 0.574 120.450 119.914 -0.064 0.000 2.649 250 V HA -0.171 3.951 4.120 0.004 0.000 0.248 250 V C 2.010 178.059 176.094 -0.076 0.000 1.054 250 V CA 0.844 63.111 62.300 -0.056 0.000 1.073 250 V CB -0.157 31.617 31.823 -0.081 0.000 0.699 250 V HN 0.178 8.368 8.190 -0.000 0.000 0.463 251 L N 0.614 121.705 121.223 -0.220 0.000 2.191 251 L HA -0.095 4.247 4.340 0.004 0.000 0.212 251 L C 2.528 179.274 176.870 -0.206 0.000 1.103 251 L CA 2.060 56.692 54.840 -0.347 0.000 0.769 251 L CB -0.893 40.693 42.059 -0.789 0.000 0.908 251 L HN 0.303 8.533 8.230 -0.000 0.000 0.438 252 A N -1.436 121.341 122.820 -0.071 0.000 1.930 252 A HA -0.228 4.094 4.320 0.004 0.000 0.215 252 A C 2.222 179.886 177.584 0.133 0.000 1.176 252 A CA 1.425 53.578 52.037 0.194 0.000 0.632 252 A CB -0.766 18.385 19.000 0.252 0.000 0.819 252 A HN 0.559 8.709 8.150 -0.000 0.000 0.445 253 H N -0.466 118.611 119.070 0.013 0.000 2.321 253 H HA -0.104 4.455 4.556 0.004 0.000 0.300 253 H C 1.667 177.000 175.328 0.009 0.000 1.087 253 H CA 2.120 58.172 56.048 0.007 0.000 1.319 253 H CB -0.203 29.548 29.762 -0.018 0.000 1.379 253 H HN 0.322 8.602 8.280 -0.000 0.000 0.501 254 I N 1.228 121.824 120.570 0.044 0.000 2.286 254 I HA -0.262 3.910 4.170 0.004 0.000 0.248 254 I C 2.352 178.460 176.117 -0.016 0.000 1.115 254 I CA 1.503 62.797 61.300 -0.011 0.000 1.392 254 I CB -0.786 37.215 38.000 0.001 0.000 1.065 254 I HN 0.487 8.697 8.210 -0.000 0.000 0.418 255 N N 1.123 119.847 118.700 0.041 0.000 2.069 255 N HA -0.231 4.511 4.740 0.004 0.000 0.191 255 N C 2.021 177.553 175.510 0.036 0.000 1.031 255 N CA 1.774 54.879 53.050 0.093 0.000 0.852 255 N CB -0.184 38.429 38.487 0.210 0.000 1.018 255 N HN 0.258 8.638 8.380 -0.000 0.000 0.423 256 R N -0.690 119.803 120.500 -0.011 0.000 2.092 256 R HA 0.013 4.355 4.340 0.004 0.000 0.231 256 R C 2.287 178.545 176.300 -0.070 0.000 1.119 256 R CA 1.164 57.241 56.100 -0.040 0.000 0.970 256 R CB -0.676 29.589 30.300 -0.058 0.000 0.864 256 R HN 0.405 8.675 8.270 -0.000 0.000 0.440 257 G N 1.044 109.772 108.800 -0.121 0.000 2.446 257 G HA2 -0.238 3.724 3.960 0.004 0.000 0.217 257 G HA3 -0.238 3.724 3.960 0.004 0.000 0.217 257 G C 1.378 176.254 174.900 -0.040 0.000 1.168 257 G CA 0.571 45.617 45.100 -0.089 0.000 0.771 257 G HN 0.160 8.450 8.290 -0.000 0.000 0.551 258 L N 0.569 121.782 121.223 -0.017 0.000 2.179 258 L HA 0.057 4.399 4.340 0.004 0.000 0.208 258 L C 3.376 180.249 176.870 0.004 0.000 1.096 258 L CA 0.760 55.602 54.840 0.003 0.000 0.779 258 L CB -0.551 41.527 42.059 0.031 0.000 0.922 258 L HN 0.293 8.523 8.230 -0.000 0.000 0.443 259 I N 0.376 120.951 120.570 0.008 0.000 2.315 259 I HA -0.145 4.027 4.170 0.004 0.000 0.248 259 I C 1.687 177.798 176.117 -0.009 0.000 1.117 259 I CA 1.828 63.132 61.300 0.006 0.000 1.404 259 I CB -2.091 35.919 38.000 0.017 0.000 1.071 259 I HN 0.493 8.703 8.210 -0.000 0.000 0.419 260 N N 1.395 120.085 118.700 -0.017 0.000 2.895 260 N HA 0.514 5.257 4.740 0.004 0.000 0.277 260 N C 0.954 176.447 175.510 -0.028 0.000 1.185 260 N CA 0.872 53.909 53.050 -0.022 0.000 1.106 260 N CB -1.367 37.105 38.487 -0.025 0.000 1.422 260 N HN 2.096 10.476 8.380 -0.000 0.000 0.521 261 T N -1.330 113.207 114.554 -0.028 0.000 3.626 261 T HA 0.147 4.499 4.350 0.004 0.000 0.393 261 T C 0.594 175.268 174.700 -0.043 0.000 0.765 261 T CA 1.574 63.653 62.100 -0.035 0.000 2.006 261 T CB -2.322 66.525 68.868 -0.036 0.000 1.739 261 T HN 1.629 9.869 8.240 -0.000 0.000 0.720 262 K N -0.022 120.355 120.400 -0.039 0.000 2.877 262 K HA 0.965 5.287 4.320 0.004 0.000 0.176 262 K C 1.560 178.135 176.600 -0.042 0.000 1.075 262 K CA 0.879 57.138 56.287 -0.047 0.000 0.939 262 K CB -0.737 31.740 32.500 -0.039 0.000 1.237 262 K HN 2.367 10.617 8.250 -0.000 0.000 0.607 263 L N -0.797 120.394 121.223 -0.053 0.000 5.044 263 L HA -0.064 4.278 4.340 0.004 0.000 0.412 263 L C 2.011 178.867 176.870 -0.023 0.000 0.971 263 L CA 1.493 56.304 54.840 -0.048 0.000 1.411 263 L CB -2.421 39.609 42.059 -0.047 0.000 1.884 263 L HN 2.354 10.584 8.230 -0.000 0.000 0.631 264 G N -0.531 108.260 108.800 -0.016 0.000 2.366 264 G HA2 -0.111 3.852 3.960 0.004 0.000 0.299 264 G HA3 -0.111 3.852 3.960 0.004 0.000 0.299 264 G C 0.147 175.061 174.900 0.023 0.000 1.020 264 G CA 0.693 45.793 45.100 -0.001 0.000 1.026 264 G HN 1.534 9.824 8.290 -0.000 0.000 0.512 265 K N 0.439 120.851 120.400 0.020 0.000 2.206 265 K HA 0.415 4.737 4.320 0.004 0.000 0.264 265 K C 0.174 176.799 176.600 0.042 0.000 0.967 265 K CA -0.755 55.534 56.287 0.004 0.000 0.844 265 K CB 1.459 33.949 32.500 -0.016 0.000 1.099 265 K HN 0.743 8.993 8.250 -0.000 0.000 0.441 266 H N -1.342 117.751 119.070 0.040 0.000 2.458 266 H HA 0.572 5.130 4.556 0.003 0.000 0.330 266 H C -0.627 174.752 175.328 0.085 0.000 1.111 266 H CA -0.965 55.119 56.048 0.060 0.000 1.245 266 H CB 1.079 30.875 29.762 0.056 0.000 1.456 266 H HN 0.049 8.329 8.280 -0.000 0.000 0.488 267 V N 4.201 124.203 119.914 0.147 0.000 2.495 267 V HA 0.323 4.445 4.120 0.004 0.000 0.298 267 V C 0.281 176.493 176.094 0.198 0.000 1.031 267 V CA -0.660 61.711 62.300 0.119 0.000 0.871 267 V CB 1.546 33.428 31.823 0.099 0.000 0.988 267 V HN 1.046 9.236 8.190 -0.000 0.000 0.432 271 G N 0.613 109.457 108.800 0.073 0.000 2.527 271 G HA2 0.639 4.601 3.960 0.004 0.000 0.248 271 G HA3 0.639 4.601 3.960 0.004 0.000 0.248 271 G C 0.055 174.863 174.900 -0.154 0.000 1.231 271 G CA 0.366 45.445 45.100 -0.036 0.000 0.838 271 G HN 0.663 8.953 8.290 -0.000 0.000 0.570 272 G N -1.670 106.821 108.800 -0.515 0.000 2.752 272 G HA2 0.565 4.527 3.960 0.004 0.000 0.298 272 G HA3 0.565 4.527 3.960 0.004 0.000 0.298 272 G C -1.779 172.465 174.900 -1.093 0.000 1.434 272 G CA -0.169 44.419 45.100 -0.853 0.000 1.004 272 G HN 1.453 9.743 8.290 -0.000 0.000 0.560 273 V N 4.318 124.009 119.914 -0.372 0.000 2.524 273 V HA 0.785 4.907 4.120 0.004 0.000 0.297 273 V C -0.681 175.493 176.094 0.133 0.000 1.035 273 V CA -0.903 61.333 62.300 -0.107 0.000 0.867 273 V CB 1.003 32.776 31.823 -0.082 0.000 1.004 273 V HN 0.920 9.110 8.190 -0.000 0.000 0.426 274 I N 5.109 125.853 120.570 0.290 0.000 2.498 274 I HA 0.605 4.777 4.170 0.004 0.000 0.301 274 I C -0.908 175.292 176.117 0.139 0.000 0.984 274 I CA -0.340 61.100 61.300 0.234 0.000 1.204 274 I CB 1.747 39.911 38.000 0.274 0.000 1.362 274 I HN 0.710 8.920 8.210 -0.000 0.000 0.471 275 D N 6.700 127.156 120.400 0.094 0.000 2.280 275 D HA 0.246 4.888 4.640 0.004 0.000 0.236 275 D C 0.935 177.263 176.300 0.047 0.000 1.082 275 D CA -0.319 53.720 54.000 0.064 0.000 0.834 275 D CB 1.576 42.405 40.800 0.049 0.000 1.100 275 D HN 0.600 8.970 8.370 -0.000 0.000 0.486 276 L N 2.713 123.960 121.223 0.040 0.000 2.265 276 L HA -0.100 4.242 4.340 0.004 0.000 0.215 276 L C 1.832 178.707 176.870 0.008 0.000 1.117 276 L CA 0.742 55.592 54.840 0.017 0.000 0.782 276 L CB -0.117 41.949 42.059 0.012 0.000 0.914 276 L HN 0.384 8.614 8.230 -0.000 0.000 0.441 277 E N 1.076 121.285 120.200 0.016 0.000 2.190 277 E HA -0.094 4.258 4.350 0.004 0.000 0.191 277 E C 1.608 178.214 176.600 0.011 0.000 0.978 277 E CA 0.697 57.104 56.400 0.011 0.000 0.839 277 E CB 0.071 29.780 29.700 0.015 0.000 0.787 277 E HN 0.599 8.959 8.360 -0.000 0.000 0.473 278 K N 0.534 120.944 120.400 0.016 0.000 2.397 278 K HA 0.158 4.480 4.320 0.004 0.000 0.202 278 K C 0.093 176.704 176.600 0.017 0.000 1.022 278 K CA -0.245 56.052 56.287 0.017 0.000 1.141 278 K CB 0.093 32.606 32.500 0.021 0.000 0.857 278 K HN -0.264 7.986 8.250 -0.000 0.000 0.514 279 N N 1.796 120.504 118.700 0.014 0.000 2.701 279 N HA -0.171 4.571 4.740 0.004 0.000 0.250 279 N C -1.180 174.344 175.510 0.024 0.000 1.046 279 N CA 1.448 54.504 53.050 0.010 0.000 0.733 279 N CB -1.239 37.247 38.487 -0.001 0.000 0.973 279 N HN 0.713 9.093 8.380 -0.000 0.000 0.541 280 S N -1.083 114.641 115.700 0.041 0.000 2.500 280 S HA 0.692 5.164 4.470 0.004 0.000 0.301 280 S C -0.520 174.135 174.600 0.091 0.000 1.092 280 S CA -1.057 57.179 58.200 0.059 0.000 1.030 280 S CB 2.777 66.008 63.200 0.051 0.000 1.031 280 S HN 0.232 8.542 8.310 -0.000 0.000 0.483 281 L N 2.829 124.126 121.223 0.124 0.000 2.319 281 L HA 0.628 4.970 4.340 0.004 0.000 0.281 281 L C -0.655 176.352 176.870 0.227 0.000 1.005 281 L CA 0.099 55.053 54.840 0.189 0.000 0.828 281 L CB 1.659 43.849 42.059 0.218 0.000 1.227 281 L HN 0.859 9.089 8.230 -0.000 0.000 0.415 282 T N 5.648 120.303 114.554 0.167 0.000 2.743 282 T HA 0.491 4.843 4.350 0.004 0.000 0.292 282 T C -0.928 173.839 174.700 0.112 0.000 0.972 282 T CA 0.018 62.180 62.100 0.104 0.000 0.967 282 T CB 0.154 69.031 68.868 0.016 0.000 0.926 282 T HN 0.487 8.727 8.240 -0.000 0.000 0.459 283 Y N 0.033 120.339 120.300 0.009 0.000 2.409 283 Y HA 0.808 5.360 4.550 0.004 0.000 0.343 283 Y C -0.227 175.670 175.900 -0.005 0.000 0.973 283 Y CA -1.431 56.663 58.100 -0.009 0.000 1.064 283 Y CB 0.969 39.460 38.460 0.051 0.000 1.207 283 Y HN 0.645 8.925 8.280 -0.000 0.000 0.452 284 S N 4.133 119.827 115.700 -0.011 0.000 2.513 284 S HA 0.788 5.261 4.470 0.004 0.000 0.299 284 S C -1.224 173.416 174.600 0.067 0.000 1.087 284 S CA -0.993 57.183 58.200 -0.041 0.000 1.012 284 S CB 1.300 64.453 63.200 -0.079 0.000 1.044 284 S HN 0.923 9.233 8.310 -0.000 0.000 0.485 285 I N 1.432 122.058 120.570 0.094 0.000 2.608 285 I HA 0.748 4.920 4.170 0.004 0.000 0.295 285 I C 0.248 176.438 176.117 0.121 0.000 1.049 285 I CA -0.694 60.676 61.300 0.117 0.000 1.063 285 I CB 2.089 40.178 38.000 0.148 0.000 1.248 285 I HN 0.645 8.855 8.210 -0.000 0.000 0.424 286 G N 4.963 113.846 108.800 0.138 0.000 4.956 286 G HA2 0.639 4.601 3.960 0.004 0.000 0.290 286 G HA3 0.639 4.601 3.960 0.004 0.000 0.290 286 G C -0.424 174.603 174.900 0.212 0.000 1.352 286 G CA -0.026 45.206 45.100 0.220 0.000 0.983 286 G HN 1.006 9.296 8.290 -0.000 0.000 0.581 287 G N -0.758 108.141 108.800 0.166 0.000 2.506 287 G HA2 0.400 4.363 3.960 0.004 0.000 0.292 287 G HA3 0.400 4.363 3.960 0.004 0.000 0.292 287 G C -0.984 173.994 174.900 0.131 0.000 1.425 287 G CA -0.655 44.565 45.100 0.201 0.000 0.788 287 G HN 0.145 8.435 8.290 -0.000 0.000 0.490 288 H N 0.159 119.284 119.070 0.093 0.000 2.505 288 H HA 0.258 4.816 4.556 0.004 0.000 0.289 288 H C 1.361 176.723 175.328 0.056 0.000 1.052 288 H CA -0.505 55.581 56.048 0.062 0.000 1.156 288 H CB 0.205 29.997 29.762 0.050 0.000 1.507 288 H HN 0.433 8.713 8.280 -0.000 0.000 0.548 289 L N -0.902 120.404 121.223 0.137 0.000 2.479 289 L HA 0.347 4.689 4.340 0.004 0.000 0.270 289 L C -2.323 174.580 176.870 0.055 0.000 1.236 289 L CA -2.374 52.533 54.840 0.112 0.000 0.823 289 L CB -0.838 41.302 42.059 0.136 0.000 1.098 289 L HN -0.106 8.124 8.230 -0.000 0.000 0.500 290 P HA 0.169 4.589 4.420 -0.000 0.000 0.258 290 P C 0.059 177.392 177.300 0.055 0.000 1.187 290 P CA 0.049 63.160 63.100 0.017 0.000 0.767 290 P CB 0.222 31.993 31.700 0.117 0.000 0.770 291 L N 5.983 127.134 121.223 -0.120 0.000 2.489 291 L HA 0.058 4.400 4.340 0.004 0.000 0.285 291 L C -1.509 175.534 176.870 0.289 0.000 1.259 291 L CA -1.441 53.410 54.840 0.017 0.000 0.828 291 L CB -0.548 41.447 42.059 -0.106 0.000 1.094 291 L HN 0.254 8.484 8.230 -0.000 0.000 0.524 292 P HA 0.088 4.508 4.420 -0.000 0.000 0.271 292 P C -0.945 176.527 177.300 0.286 0.000 1.218 292 P CA -0.114 63.112 63.100 0.211 0.000 0.780 292 P CB 0.987 32.713 31.700 0.044 0.000 0.901 293 V N 4.045 124.107 119.914 0.246 0.000 2.409 293 V HA 0.282 4.404 4.120 0.004 0.000 0.291 293 V C 0.265 176.396 176.094 0.061 0.000 1.020 293 V CA -0.741 61.638 62.300 0.131 0.000 0.848 293 V CB 1.196 33.167 31.823 0.245 0.000 0.990 293 V HN 0.386 8.576 8.190 -0.000 0.000 0.430 294 L N 2.764 123.977 121.223 -0.018 0.000 2.296 294 L HA 0.710 5.052 4.340 0.004 0.000 0.286 294 L C -0.879 175.999 176.870 0.013 0.000 1.023 294 L CA -0.108 54.727 54.840 -0.008 0.000 0.812 294 L CB 1.064 43.095 42.059 -0.048 0.000 1.223 294 L HN 0.491 8.721 8.230 -0.000 0.000 0.421 295 F N 4.650 124.558 119.950 -0.070 0.000 2.334 295 F HA 0.732 5.261 4.527 0.003 0.000 0.367 295 F C -0.750 175.009 175.800 -0.068 0.000 1.115 295 F CA -0.529 57.433 58.000 -0.063 0.000 1.116 295 F CB 1.152 40.121 39.000 -0.052 0.000 1.230 295 F HN 0.378 8.678 8.300 -0.000 0.000 0.484 296 V N 5.551 125.505 119.914 0.066 0.000 2.488 296 V HA 0.245 4.368 4.120 0.004 0.000 0.293 296 V C -0.722 175.381 176.094 0.015 0.000 1.027 296 V CA -0.916 61.434 62.300 0.084 0.000 0.862 296 V CB 1.431 33.256 31.823 0.004 0.000 1.008 296 V HN 0.698 8.888 8.190 -0.000 0.000 0.428 297 E N 3.205 123.473 120.200 0.112 0.000 2.271 297 E HA -0.231 4.121 4.350 0.004 0.000 0.223 297 E C 1.147 177.747 176.600 0.000 0.000 1.223 297 E CA 1.030 57.468 56.400 0.063 0.000 0.704 297 E CB -1.411 28.293 29.700 0.007 0.000 1.194 297 E HN 1.731 10.091 8.360 -0.000 0.000 0.375 298 G N -0.016 108.818 108.800 0.056 0.000 2.225 298 G HA2 -0.334 3.628 3.960 0.004 0.000 0.267 298 G HA3 -0.334 3.628 3.960 0.004 0.000 0.267 298 G C 0.166 174.791 174.900 -0.458 0.000 1.024 298 G CA 1.053 46.047 45.100 -0.177 0.000 0.784 298 G HN 0.302 8.592 8.290 -0.000 0.000 0.507 299 Q N -1.290 118.145 119.800 -0.607 0.000 2.496 299 Q HA 0.885 5.227 4.340 0.004 0.000 0.286 299 Q C -0.110 175.571 176.000 -0.532 0.000 1.103 299 Q CA -0.018 55.518 55.803 -0.446 0.000 0.813 299 Q CB 2.322 30.914 28.738 -0.243 0.000 1.444 299 Q HN 1.213 9.483 8.270 -0.000 0.000 0.443 300 A N -0.654 121.951 122.820 -0.357 0.000 2.612 300 A HA 0.916 5.238 4.320 0.004 0.000 0.293 300 A C -1.047 176.369 177.584 -0.281 0.000 1.075 300 A CA 0.037 51.883 52.037 -0.318 0.000 0.680 300 A CB 2.154 20.955 19.000 -0.331 0.000 1.279 300 A HN 0.739 8.889 8.150 -0.000 0.000 0.411 301 G N -0.633 107.983 108.800 -0.306 0.000 2.616 301 G HA2 0.554 4.516 3.960 0.004 0.000 0.294 301 G HA3 0.554 4.516 3.960 0.004 0.000 0.294 301 G C -1.993 172.729 174.900 -0.297 0.000 1.489 301 G CA -0.574 44.339 45.100 -0.312 0.000 0.836 301 G HN 0.677 8.967 8.290 -0.000 0.000 0.527 302 Y N 0.495 120.793 120.300 -0.003 0.000 2.313 302 Y HA 0.529 5.081 4.550 0.003 0.000 0.332 302 Y C 1.095 176.995 175.900 -0.000 0.000 1.071 302 Y CA -0.724 57.380 58.100 0.005 0.000 1.169 302 Y CB 1.217 39.691 38.460 0.024 0.000 1.192 302 Y HN 0.335 8.615 8.280 -0.000 0.000 0.487 303 L N 2.517 123.815 121.223 0.125 0.000 2.426 303 L HA 0.402 4.744 4.340 0.004 0.000 0.271 303 L C 0.707 177.699 176.870 0.204 0.000 1.169 303 L CA -0.390 54.489 54.840 0.066 0.000 0.836 303 L CB 0.142 42.012 42.059 -0.315 0.000 1.112 303 L HN 0.752 8.982 8.230 -0.000 0.000 0.465 304 E N 1.714 122.067 120.200 0.255 0.000 2.283 304 E HA 0.631 4.983 4.350 0.004 0.000 0.278 304 E C 0.157 176.906 176.600 0.248 0.000 1.027 304 E CA -0.008 56.516 56.400 0.206 0.000 0.843 304 E CB 1.527 31.309 29.700 0.137 0.000 1.062 304 E HN 0.899 9.259 8.360 -0.000 0.000 0.401 305 G N 0.881 109.774 108.800 0.154 0.000 2.443 305 G HA2 0.447 4.409 3.960 0.004 0.000 0.303 305 G HA3 0.447 4.409 3.960 0.004 0.000 0.303 305 G C -0.648 174.285 174.900 0.055 0.000 1.613 305 G CA -0.620 44.534 45.100 0.089 0.000 0.879 305 G HN 0.647 8.937 8.290 -0.000 0.000 0.632 311 G N 0.214 109.205 108.800 0.318 0.000 2.168 311 G HA2 -0.097 3.865 3.960 0.004 0.000 0.197 311 G HA3 -0.097 3.865 3.960 0.004 0.000 0.197 311 G C 0.516 175.526 174.900 0.183 0.000 0.997 311 G CA 0.702 45.967 45.100 0.275 0.000 0.658 311 G HN 1.834 10.124 8.290 -0.000 0.000 0.513 312 L N -1.182 120.129 121.223 0.147 0.000 2.017 312 L HA 0.483 4.825 4.340 0.004 0.000 0.208 312 L C 1.657 178.473 176.870 -0.089 0.000 1.073 312 L CA 0.878 55.705 54.840 -0.022 0.000 0.745 312 L CB -1.034 40.933 42.059 -0.154 0.000 0.894 312 L HN 0.116 8.346 8.230 -0.000 0.000 0.432 313 F N 1.217 121.166 119.950 -0.001 0.000 2.539 313 F HA 0.051 4.580 4.527 0.003 0.000 0.340 313 F C 1.729 177.518 175.800 -0.018 0.000 1.185 313 F CA 0.312 58.299 58.000 -0.021 0.000 1.333 313 F CB -0.066 38.907 39.000 -0.045 0.000 1.152 313 F HN -0.001 8.299 8.300 -0.000 0.000 0.602 314 D N 0.065 120.560 120.400 0.158 0.000 2.347 314 D HA -0.053 4.589 4.640 0.004 0.000 0.213 314 D C -0.271 176.064 176.300 0.059 0.000 0.985 314 D CA 0.413 54.464 54.000 0.085 0.000 0.879 314 D CB -0.214 40.617 40.800 0.051 0.000 0.919 314 D HN 0.347 8.717 8.370 -0.000 0.000 0.526 315 D N -0.342 120.090 120.400 0.054 0.000 2.308 315 D HA 0.235 4.877 4.640 0.004 0.000 0.251 315 D C 0.937 177.146 176.300 -0.151 0.000 1.127 315 D CA -0.063 53.912 54.000 -0.042 0.000 0.876 315 D CB 1.787 42.542 40.800 -0.075 0.000 1.176 315 D HN 0.020 8.390 8.370 -0.000 0.000 0.446 316 A N 2.111 124.826 122.820 -0.176 0.000 1.845 316 A HA -0.121 4.201 4.320 0.004 0.000 0.215 316 A C 1.269 178.367 177.584 -0.810 0.000 1.195 316 A CA 2.081 53.896 52.037 -0.371 0.000 0.616 316 A CB -1.027 17.941 19.000 -0.053 0.000 0.832 316 A HN 0.892 9.042 8.150 -0.000 0.000 0.443 317 T N -3.241 111.070 114.554 -0.405 0.000 3.760 317 T HA -0.246 4.106 4.350 0.004 0.000 0.366 317 T C -0.452 174.044 174.700 -0.340 0.000 0.761 317 T CA 1.333 63.232 62.100 -0.334 0.000 1.887 317 T CB -2.813 65.855 68.868 -0.332 0.000 1.811 317 T HN 0.478 8.718 8.240 -0.000 0.000 0.749 318 Y N 0.421 120.713 120.300 -0.014 0.000 2.331 318 Y HA 0.645 5.197 4.550 0.003 0.000 0.338 318 Y C 0.245 176.129 175.900 -0.025 0.000 0.992 318 Y CA -1.807 56.285 58.100 -0.012 0.000 1.121 318 Y CB 1.565 40.025 38.460 -0.001 0.000 1.184 318 Y HN 0.267 8.547 8.280 -0.000 0.000 0.469 319 D N 2.063 122.548 120.400 0.142 0.000 2.375 319 D HA 0.298 4.940 4.640 0.004 0.000 0.247 319 D C -1.229 175.059 176.300 -0.020 0.000 1.061 319 D CA -0.625 53.399 54.000 0.039 0.000 0.834 319 D CB 1.516 42.322 40.800 0.009 0.000 1.247 319 D HN 0.534 8.904 8.370 -0.000 0.000 0.489 320 D N -1.571 118.788 120.400 -0.067 0.000 2.391 320 D HA 0.570 5.212 4.640 0.004 0.000 0.245 320 D C -0.222 175.948 176.300 -0.216 0.000 1.069 320 D CA -0.808 53.100 54.000 -0.152 0.000 0.831 320 D CB 0.708 41.444 40.800 -0.108 0.000 1.204 320 D HN 0.279 8.649 8.370 -0.000 0.000 0.503 321 R N 1.700 121.940 120.500 -0.433 0.000 2.338 321 R HA 0.685 5.027 4.340 0.004 0.000 0.317 321 R C -0.323 175.757 176.300 -0.366 0.000 0.968 321 R CA -0.762 55.082 56.100 -0.427 0.000 0.849 321 R CB 0.666 30.641 30.300 -0.541 0.000 1.128 321 R HN 0.464 8.734 8.270 -0.000 0.000 0.448 325 L N 2.198 123.434 121.223 0.022 0.000 2.343 325 L HA 0.441 4.784 4.340 0.004 0.000 0.278 325 L C -2.190 174.674 176.870 -0.010 0.000 0.996 325 L CA -1.771 53.071 54.840 0.003 0.000 0.831 325 L CB 1.646 43.703 42.059 -0.003 0.000 1.232 325 L HN 0.173 8.403 8.230 -0.000 0.000 0.413 326 P HA 0.171 4.591 4.420 -0.000 0.000 0.272 326 P C -2.292 174.990 177.300 -0.030 0.000 1.248 326 P CA -0.645 62.444 63.100 -0.019 0.000 0.799 326 P CB -0.264 31.425 31.700 -0.017 0.000 0.997 331 L N 2.431 123.540 121.223 -0.191 0.000 2.317 331 L HA 0.845 5.188 4.340 0.004 0.000 0.281 331 L C -0.364 176.396 176.870 -0.183 0.000 1.024 331 L CA 0.267 55.012 54.840 -0.159 0.000 0.810 331 L CB 1.732 43.684 42.059 -0.178 0.000 1.240 331 L HN 0.489 8.719 8.230 -0.000 0.000 0.427 332 S N 4.858 120.466 115.700 -0.154 0.000 2.557 332 S HA 0.705 5.177 4.470 0.004 0.000 0.291 332 S C -0.899 173.416 174.600 -0.474 0.000 1.116 332 S CA -0.585 57.411 58.200 -0.339 0.000 0.992 332 S CB 1.300 64.299 63.200 -0.335 0.000 1.028 332 S HN 0.463 8.773 8.310 -0.000 0.000 0.484 333 L N 3.116 124.024 121.223 -0.524 0.000 2.325 333 L HA 0.694 5.036 4.340 0.004 0.000 0.278 333 L C -1.186 175.336 176.870 -0.581 0.000 1.023 333 L CA -0.612 54.020 54.840 -0.346 0.000 0.811 333 L CB 0.864 42.885 42.059 -0.062 0.000 1.249 333 L HN 0.553 8.783 8.230 -0.000 0.000 0.431 334 F N -0.389 119.622 119.950 0.102 0.000 2.563 334 F HA 0.463 4.993 4.527 0.004 0.000 0.316 334 F C 0.480 176.330 175.800 0.083 0.000 1.076 334 F CA -0.598 57.455 58.000 0.088 0.000 0.921 334 F CB 2.301 41.356 39.000 0.092 0.000 1.209 334 F HN 0.356 8.656 8.300 -0.000 0.000 0.462 335 S N 0.166 116.029 115.700 0.272 0.000 2.669 335 S HA 0.100 4.572 4.470 0.004 0.000 0.270 335 S C 0.237 174.930 174.600 0.156 0.000 1.225 335 S CA -0.591 57.717 58.200 0.179 0.000 0.991 335 S CB 0.888 64.171 63.200 0.137 0.000 0.987 335 S HN 0.605 8.915 8.310 -0.000 0.000 0.552 336 D N 1.155 121.631 120.400 0.125 0.000 2.384 336 D HA 0.074 4.717 4.640 0.004 0.000 0.222 336 D C 0.977 177.325 176.300 0.080 0.000 0.976 336 D CA 0.400 54.461 54.000 0.102 0.000 0.915 336 D CB -0.438 40.424 40.800 0.103 0.000 0.896 336 D HN 0.530 8.900 8.370 -0.000 0.000 0.523 337 G N 0.063 108.912 108.800 0.082 0.000 2.378 337 G HA2 0.443 4.405 3.960 0.004 0.000 0.255 337 G HA3 0.443 4.405 3.960 0.004 0.000 0.255 337 G C -0.168 174.761 174.900 0.050 0.000 1.270 337 G CA -0.162 44.973 45.100 0.058 0.000 0.876 337 G HN 0.038 8.328 8.290 -0.000 0.000 0.521 338 I N 0.146 120.731 120.570 0.026 0.000 3.343 338 I HA 0.354 4.526 4.170 0.004 0.000 0.315 338 I C -0.004 176.112 176.117 -0.001 0.000 1.153 338 I CA -0.794 60.508 61.300 0.004 0.000 0.952 338 I CB 2.069 40.070 38.000 0.002 0.000 1.287 338 I HN 0.662 8.872 8.210 -0.000 0.000 0.472 339 L N -1.061 120.154 121.223 -0.013 0.000 3.737 339 L HA -0.150 4.192 4.340 0.004 0.000 0.418 339 L C -0.504 176.363 176.870 -0.005 0.000 1.216 339 L CA 1.343 56.178 54.840 -0.010 0.000 0.915 339 L CB -3.192 38.865 42.059 -0.004 0.000 1.834 339 L HN 0.716 8.946 8.230 -0.000 0.000 0.943 340 D N -1.433 118.965 120.400 -0.004 0.000 2.408 340 D HA 1.025 5.668 4.640 0.004 0.000 0.243 340 D C 0.337 176.639 176.300 0.003 0.000 1.075 340 D CA 0.353 54.355 54.000 0.002 0.000 0.832 340 D CB 1.741 42.547 40.800 0.010 0.000 1.162 340 D HN 1.718 10.088 8.370 -0.000 0.000 0.515 345 A N -0.639 122.182 122.820 0.000 0.000 2.610 345 A HA 1.019 5.341 4.320 0.004 0.000 0.291 345 A C 0.664 178.251 177.584 0.005 0.000 1.086 345 A CA 0.619 52.658 52.037 0.003 0.000 0.677 345 A CB 0.952 19.954 19.000 0.003 0.000 1.278 345 A HN 2.847 10.997 8.150 -0.000 0.000 0.414 346 T N -2.642 111.916 114.554 0.008 0.000 5.395 346 T HA -0.128 4.224 4.350 0.004 0.000 0.267 346 T C -0.296 174.410 174.700 0.010 0.000 2.215 346 T CA 1.383 63.488 62.100 0.009 0.000 3.789 346 T CB -2.376 66.497 68.868 0.008 0.000 0.413 346 T HN 2.197 10.437 8.240 -0.000 0.000 1.090 347 L N -0.014 121.215 121.223 0.010 0.000 2.431 347 L HA 0.886 5.229 4.340 0.004 0.000 0.266 347 L C 0.733 177.611 176.870 0.014 0.000 0.978 347 L CA -0.694 54.154 54.840 0.012 0.000 0.822 347 L CB 2.050 44.115 42.059 0.011 0.000 1.310 347 L HN 0.096 8.325 8.230 -0.000 0.000 0.409 348 K N 2.373 122.782 120.400 0.016 0.000 1.980 348 K HA -0.063 4.260 4.320 0.004 0.000 0.208 348 K C 1.493 178.104 176.600 0.017 0.000 1.043 348 K CA 2.141 58.438 56.287 0.018 0.000 0.938 348 K CB -0.039 32.473 32.500 0.020 0.000 0.724 348 K HN 0.742 8.992 8.250 -0.000 0.000 0.438 349 E N -0.158 120.053 120.200 0.019 0.000 2.072 349 E HA -0.190 4.162 4.350 0.004 0.000 0.191 349 E C 2.083 178.697 176.600 0.025 0.000 0.985 349 E CA 1.703 58.116 56.400 0.022 0.000 0.801 349 E CB -0.471 29.242 29.700 0.022 0.000 0.750 349 E HN 0.233 8.593 8.360 -0.000 0.000 0.452 350 K N 1.373 121.785 120.400 0.020 0.000 2.063 350 K HA -0.186 4.136 4.320 0.004 0.000 0.208 350 K C 1.946 178.557 176.600 0.020 0.000 1.048 350 K CA 1.851 58.149 56.287 0.019 0.000 0.928 350 K CB -0.930 31.578 32.500 0.013 0.000 0.713 350 K HN 0.243 8.493 8.250 -0.000 0.000 0.442 351 E N -0.053 120.157 120.200 0.016 0.000 2.347 351 E HA 0.142 4.494 4.350 0.004 0.000 0.196 351 E C 1.864 178.474 176.600 0.017 0.000 1.008 351 E CA 1.035 57.442 56.400 0.011 0.000 0.852 351 E CB -0.205 29.499 29.700 0.007 0.000 0.783 351 E HN 0.515 8.875 8.360 -0.000 0.000 0.505 352 A N -0.715 122.120 122.820 0.024 0.000 2.072 352 A HA 0.069 4.391 4.320 0.004 0.000 0.216 352 A C 2.162 179.825 177.584 0.132 0.000 1.156 352 A CA 1.024 53.077 52.037 0.026 0.000 0.701 352 A CB 0.014 18.998 19.000 -0.026 0.000 0.816 352 A HN 0.199 8.349 8.150 -0.000 0.000 0.458 353 S N -0.614 115.148 115.700 0.103 0.000 2.470 353 S HA 0.034 4.507 4.470 0.004 0.000 0.222 353 S C 1.664 176.301 174.600 0.061 0.000 1.024 353 S CA 0.583 58.853 58.200 0.115 0.000 0.931 353 S CB -0.093 63.148 63.200 0.069 0.000 0.791 353 S HN 0.444 8.754 8.310 -0.000 0.000 0.513 354 L N 3.335 124.579 121.223 0.035 0.000 2.056 354 L HA 0.060 4.402 4.340 0.004 0.000 0.207 354 L C -1.290 175.568 176.870 -0.020 0.000 1.078 354 L CA 1.914 56.755 54.840 0.001 0.000 0.749 354 L CB -1.401 40.654 42.059 -0.006 0.000 0.901 354 L HN 0.117 8.347 8.230 -0.000 0.000 0.433 355 P HA -0.176 4.244 4.420 -0.000 0.000 0.217 355 P C 1.382 178.616 177.300 -0.109 0.000 1.151 355 P CA 1.596 64.634 63.100 -0.104 0.000 0.828 355 P CB -0.165 31.445 31.700 -0.149 0.000 0.788 356 E N 0.341 120.508 120.200 -0.055 0.000 2.085 356 E HA -0.288 4.064 4.350 0.004 0.000 0.194 356 E C 2.322 178.838 176.600 -0.139 0.000 0.994 356 E CA 1.875 58.167 56.400 -0.180 0.000 0.801 356 E CB -1.342 28.111 29.700 -0.412 0.000 0.743 356 E HN 0.201 8.561 8.360 -0.000 0.000 0.453 357 Q N 1.232 120.974 119.800 -0.097 0.000 2.079 357 Q HA -0.012 4.330 4.340 0.004 0.000 0.200 357 Q C 2.465 178.436 176.000 -0.048 0.000 0.974 357 Q CA 1.832 57.588 55.803 -0.079 0.000 0.840 357 Q CB -1.012 27.694 28.738 -0.054 0.000 0.898 357 Q HN 0.289 8.559 8.270 -0.000 0.000 0.430 358 V N 0.962 120.851 119.914 -0.043 0.000 2.407 358 V HA -0.186 3.936 4.120 0.004 0.000 0.248 358 V C 2.848 178.949 176.094 0.013 0.000 1.055 358 V CA 1.663 63.949 62.300 -0.023 0.000 1.049 358 V CB -1.165 30.631 31.823 -0.046 0.000 0.662 358 V HN 0.739 8.929 8.190 -0.000 0.000 0.455 359 A N 0.291 123.114 122.820 0.005 0.000 1.883 359 A HA -0.162 4.160 4.320 0.004 0.000 0.217 359 A C 2.460 180.192 177.584 0.248 0.000 1.186 359 A CA 2.296 54.403 52.037 0.117 0.000 0.624 359 A CB -0.876 18.201 19.000 0.129 0.000 0.822 359 A HN 0.572 8.722 8.150 -0.000 0.000 0.444 360 A N -0.224 122.655 122.820 0.099 0.000 1.877 360 A HA 0.138 4.460 4.320 0.004 0.000 0.216 360 A C 2.535 180.275 177.584 0.260 0.000 1.186 360 A CA 2.289 54.339 52.037 0.021 0.000 0.620 360 A CB -1.099 17.741 19.000 -0.267 0.000 0.822 360 A HN 1.115 9.265 8.150 -0.000 0.000 0.443 361 A N -0.188 122.699 122.820 0.112 0.000 1.902 361 A HA 0.289 4.612 4.320 0.004 0.000 0.217 361 A C 1.708 179.360 177.584 0.113 0.000 1.181 361 A CA 1.270 53.363 52.037 0.092 0.000 0.623 361 A CB -1.424 17.597 19.000 0.036 0.000 0.818 361 A HN 0.891 9.041 8.150 -0.000 0.000 0.443 362 G N -0.731 108.138 108.800 0.113 0.000 2.544 362 G HA2 0.431 4.393 3.960 0.004 0.000 0.242 362 G HA3 0.431 4.393 3.960 0.004 0.000 0.242 362 G C 0.565 175.488 174.900 0.037 0.000 1.247 362 G CA -0.019 45.123 45.100 0.069 0.000 0.840 362 G HN 0.775 9.065 8.290 -0.000 0.000 0.578 363 G N 0.292 109.075 108.800 -0.029 0.000 2.225 363 G HA2 0.253 4.215 3.960 0.004 0.000 0.245 363 G HA3 0.253 4.215 3.960 0.004 0.000 0.245 363 G C 1.132 175.914 174.900 -0.197 0.000 1.249 363 G CA 0.370 45.400 45.100 -0.116 0.000 0.919 363 G HN 0.582 8.872 8.290 -0.000 0.000 0.486 364 T N 2.938 117.220 114.554 -0.453 0.000 2.803 364 T HA -0.096 4.256 4.350 0.004 0.000 0.269 364 T C 1.475 176.006 174.700 -0.283 0.000 1.052 364 T CA 0.668 62.418 62.100 -0.583 0.000 1.136 364 T CB -0.185 68.036 68.868 -1.078 0.000 0.864 364 T HN 0.296 8.536 8.240 -0.000 0.000 0.467 365 L N 1.520 122.605 121.223 -0.230 0.000 2.472 365 L HA 0.124 4.466 4.340 0.004 0.000 0.260 365 L C 1.369 178.175 176.870 -0.106 0.000 1.209 365 L CA -0.556 54.187 54.840 -0.162 0.000 0.817 365 L CB 0.314 42.286 42.059 -0.144 0.000 1.106 365 L HN 0.008 8.238 8.230 -0.000 0.000 0.479 366 D N 1.258 121.601 120.400 -0.096 0.000 2.269 366 D HA -0.072 4.571 4.640 0.004 0.000 0.208 366 D C 1.892 178.162 176.300 -0.050 0.000 0.963 366 D CA 1.083 55.044 54.000 -0.064 0.000 0.864 366 D CB -0.081 40.674 40.800 -0.075 0.000 0.936 366 D HN 0.809 9.179 8.370 -0.000 0.000 0.505 367 G N 1.442 110.206 108.800 -0.061 0.000 2.469 367 G HA2 -0.265 3.697 3.960 0.004 0.000 0.219 367 G HA3 -0.265 3.697 3.960 0.004 0.000 0.219 367 G C 1.613 176.491 174.900 -0.036 0.000 1.150 367 G CA 0.869 45.939 45.100 -0.049 0.000 0.763 367 G HN 0.320 8.610 8.290 -0.000 0.000 0.561 368 L N 1.354 122.554 121.223 -0.039 0.000 2.012 368 L HA 0.023 4.366 4.340 0.004 0.000 0.210 368 L C 3.200 180.068 176.870 -0.003 0.000 1.073 368 L CA 3.005 57.832 54.840 -0.023 0.000 0.748 368 L CB -0.915 41.128 42.059 -0.026 0.000 0.891 368 L HN 0.283 8.513 8.230 -0.000 0.000 0.431 369 R N -0.216 120.287 120.500 0.006 0.000 2.091 369 R HA -0.214 4.128 4.340 0.004 0.000 0.238 369 R C 2.104 178.415 176.300 0.018 0.000 1.136 369 R CA 2.143 58.261 56.100 0.030 0.000 0.959 369 R CB -1.770 28.555 30.300 0.041 0.000 0.856 369 R HN 0.770 9.040 8.270 -0.000 0.000 0.437 370 Q N -0.191 119.609 119.800 -0.000 0.000 2.135 370 Q HA 0.043 4.385 4.340 0.004 0.000 0.204 370 Q C 1.860 177.859 176.000 -0.002 0.000 0.981 370 Q CA 1.272 57.073 55.803 -0.004 0.000 0.856 370 Q CB -0.916 27.812 28.738 -0.017 0.000 0.902 370 Q HN 0.708 8.978 8.270 -0.000 0.000 0.425 383 D N 1.409 121.761 120.400 -0.079 0.000 2.443 383 D HA 0.235 4.877 4.640 0.004 0.000 0.239 383 D C -0.062 176.248 176.300 0.017 0.000 1.136 383 D CA 0.264 54.250 54.000 -0.024 0.000 0.879 383 D CB 0.951 41.774 40.800 0.038 0.000 1.195 383 D HN 0.299 8.669 8.370 -0.000 0.000 0.443 384 I N 1.316 121.899 120.570 0.021 0.000 2.411 384 I HA 0.461 4.633 4.170 0.004 0.000 0.284 384 I C -1.193 174.962 176.117 0.064 0.000 1.012 384 I CA -0.508 60.823 61.300 0.051 0.000 1.119 384 I CB 1.027 39.053 38.000 0.044 0.000 1.261 384 I HN 0.350 8.560 8.210 -0.000 0.000 0.448 385 A N 7.570 130.440 122.820 0.083 0.000 2.449 385 A HA 0.895 5.217 4.320 0.004 0.000 0.302 385 A C -1.810 175.826 177.584 0.086 0.000 1.048 385 A CA -0.543 51.536 52.037 0.071 0.000 0.708 385 A CB 1.327 20.350 19.000 0.037 0.000 1.274 385 A HN 0.761 8.911 8.150 -0.000 0.000 0.410 386 L N 0.158 121.424 121.223 0.072 0.000 2.409 386 L HA 0.938 5.280 4.340 0.004 0.000 0.262 386 L C -1.028 175.836 176.870 -0.008 0.000 0.992 386 L CA -0.893 53.954 54.840 0.012 0.000 0.817 386 L CB 1.727 43.838 42.059 0.087 0.000 1.350 386 L HN 0.606 8.836 8.230 -0.000 0.000 0.411 387 L N 2.876 124.042 121.223 -0.096 0.000 2.349 387 L HA 0.907 5.249 4.340 0.004 0.000 0.278 387 L C -1.279 175.509 176.870 -0.138 0.000 0.996 387 L CA -0.322 54.508 54.840 -0.016 0.000 0.825 387 L CB 1.933 44.024 42.059 0.053 0.000 1.243 387 L HN 0.525 8.755 8.230 -0.000 0.000 0.412 388 V N 5.474 125.320 119.914 -0.113 0.000 2.604 388 V HA 0.605 4.727 4.120 0.004 0.000 0.305 388 V C -0.659 175.285 176.094 -0.251 0.000 1.043 388 V CA -0.632 61.557 62.300 -0.184 0.000 0.888 388 V CB 1.734 33.474 31.823 -0.138 0.000 0.995 388 V HN 0.720 8.910 8.190 -0.000 0.000 0.429 389 L N 3.909 124.930 121.223 -0.337 0.000 2.354 389 L HA 0.960 5.302 4.340 0.004 0.000 0.269 389 L C -0.186 176.448 176.870 -0.393 0.000 1.005 389 L CA 0.193 54.723 54.840 -0.515 0.000 0.819 389 L CB 2.330 43.947 42.059 -0.737 0.000 1.311 389 L HN 0.910 9.140 8.230 -0.000 0.000 0.423 390 S N 3.604 119.057 115.700 -0.411 0.000 2.535 390 S HA 0.734 5.206 4.470 0.004 0.000 0.272 390 S C -1.032 173.398 174.600 -0.283 0.000 1.149 390 S CA -0.947 57.077 58.200 -0.293 0.000 0.888 390 S CB 1.761 64.815 63.200 -0.244 0.000 1.110 390 S HN 0.808 9.118 8.310 -0.000 0.000 0.463 391 R N 2.166 122.536 120.500 -0.217 0.000 2.549 391 R HA 0.525 4.867 4.340 0.004 0.000 0.291 391 R C -1.685 174.535 176.300 -0.134 0.000 1.164 391 R CA -0.158 55.830 56.100 -0.187 0.000 0.973 391 R CB 0.602 30.786 30.300 -0.193 0.000 1.210 391 R HN 1.067 9.337 8.270 -0.000 0.000 0.422 392 N N 0.000 118.628 118.700 -0.119 0.000 1.763 392 N HA 0.000 4.742 4.740 0.004 0.000 0.220 392 N CA 0.000 52.996 53.050 -0.090 0.000 0.885 392 N CB 0.000 38.438 38.487 -0.082 0.000 1.341 392 N HN 0.000 8.380 8.380 -0.000 0.000 0.667