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 2xfm_1_A DATA FIRST_RESID 276 DATA SEQUENCE RSETVLDFMF NLYQQTEEHK FQEQVSKELI GLIVLTKYNN KTYRVDDIDW DATA SEQUENCE DQNPKSTFKK ADGSEVSFLE YYRKQYNQEI TDLKQPVLVS QPKRRRGPGG DATA SEQUENCE TLPGPAMLIP ELCYLTGLTD 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 276 R HA 0.000 4.365 4.340 0.042 0.000 0.208 276 R C 0.000 176.341 176.300 0.068 0.000 0.893 276 R CA 0.000 56.126 56.100 0.043 0.000 0.921 276 R CB 0.000 30.318 30.300 0.030 0.000 0.687 277 S N 0.985 116.731 115.700 0.076 0.000 3.217 277 S HA -0.235 4.290 4.470 0.091 0.000 0.857 277 S C -1.060 173.637 174.600 0.162 0.000 1.078 277 S CA 0.565 58.839 58.200 0.123 0.000 1.169 277 S CB 0.383 63.675 63.200 0.153 0.000 0.822 277 S HN 0.257 8.601 8.310 0.057 0.000 0.256 278 E N 1.941 122.191 120.200 0.083 0.000 2.429 278 E HA 0.212 4.552 4.350 -0.016 0.000 0.276 278 E C -1.263 174.990 176.600 -0.579 0.000 0.953 278 E CA -1.155 55.179 56.400 -0.108 0.000 0.787 278 E CB 3.288 32.960 29.700 -0.047 0.000 1.307 278 E HN 0.157 8.555 8.360 0.063 0.000 0.458 279 T N 2.235 116.212 114.554 -0.961 0.000 2.868 279 T HA -0.123 3.300 4.350 -1.732 -0.112 0.292 279 T C 0.946 175.408 174.700 -0.397 0.000 1.028 279 T CA 0.257 61.693 62.100 -1.108 0.000 1.059 279 T CB 1.090 69.472 68.868 -0.809 0.000 0.991 279 T HN 0.214 8.070 8.240 -0.640 0.000 0.531 280 V N 5.643 125.397 119.914 -0.267 0.000 2.626 280 V HA -0.232 3.850 4.120 -0.062 0.000 0.252 280 V C 0.537 176.635 176.094 0.006 0.000 1.067 280 V CA 2.040 64.286 62.300 -0.089 0.000 1.081 280 V CB -0.052 31.723 31.823 -0.081 0.000 0.686 280 V HN 0.112 8.118 8.190 -0.307 0.000 0.468 281 L N -0.119 121.068 121.223 -0.061 0.000 2.083 281 L HA -0.371 3.974 4.340 0.008 0.000 0.209 281 L C 0.965 177.866 176.870 0.052 0.000 1.083 281 L CA 3.187 58.015 54.840 -0.019 0.000 0.752 281 L CB -0.696 41.315 42.059 -0.080 0.000 0.899 281 L HN -0.416 7.704 8.230 -0.138 0.027 0.433 282 D N -1.083 119.326 120.400 0.015 0.000 2.117 282 D HA -0.373 4.319 4.640 0.088 0.000 0.197 282 D C 1.885 178.296 176.300 0.186 0.000 0.987 282 D CA 3.654 57.703 54.000 0.082 0.000 0.829 282 D CB -0.285 40.522 40.800 0.013 0.000 0.961 282 D HN -0.105 8.119 8.370 -0.070 0.104 0.460 283 F N 1.088 121.058 119.950 0.034 0.000 2.102 283 F HA -0.371 4.193 4.527 0.061 0.000 0.298 283 F C 1.465 177.342 175.800 0.129 0.000 1.105 283 F CA 3.549 61.586 58.000 0.061 0.000 1.239 283 F CB 0.233 39.246 39.000 0.022 0.000 0.991 283 F HN -0.893 7.465 8.300 0.247 0.090 0.474 284 M N -2.201 117.562 119.600 0.271 0.000 2.229 284 M HA -0.355 4.318 4.480 0.321 0.000 0.264 284 M C 1.871 178.299 176.300 0.214 0.000 1.063 284 M CA 3.666 59.140 55.300 0.291 0.000 1.114 284 M CB -0.293 32.485 32.600 0.297 0.000 1.387 284 M HN -0.360 8.130 8.290 0.333 0.000 0.420 285 F N 1.541 121.504 119.950 0.021 0.000 2.163 285 F HA -0.410 4.103 4.527 -0.023 0.000 0.297 285 F C 1.218 177.001 175.800 -0.027 0.000 1.094 285 F CA 4.028 62.020 58.000 -0.013 0.000 1.290 285 F CB 0.325 39.309 39.000 -0.027 0.000 1.017 285 F HN -0.012 8.373 8.300 0.295 0.092 0.483 286 N N 0.023 118.731 118.700 0.012 0.000 2.043 286 N HA -0.369 4.301 4.740 -0.116 0.000 0.193 286 N C 2.364 177.722 175.510 -0.253 0.000 1.037 286 N CA 3.199 56.174 53.050 -0.125 0.000 0.851 286 N CB -0.090 38.342 38.487 -0.091 0.000 1.027 286 N HN 0.305 8.664 8.380 0.156 0.115 0.422 287 L N -1.115 119.944 121.223 -0.273 0.000 2.131 287 L HA -0.297 3.904 4.340 -0.233 0.000 0.210 287 L C 1.506 178.132 176.870 -0.406 0.000 1.092 287 L CA 2.363 57.058 54.840 -0.241 0.000 0.759 287 L CB -0.495 41.505 42.059 -0.098 0.000 0.903 287 L HN -0.115 7.946 8.230 -0.283 0.000 0.435 288 Y N -0.655 119.175 120.300 -0.783 0.000 2.181 288 Y HA -0.458 2.877 4.550 -2.025 0.000 0.288 288 Y C 1.048 176.528 175.900 -0.700 0.000 1.146 288 Y CA 3.293 60.691 58.100 -1.171 0.000 1.164 288 Y CB 0.234 38.157 38.460 -0.895 0.000 0.982 288 Y HN -0.323 7.638 8.280 -0.327 0.123 0.515 289 Q N -3.925 115.514 119.800 -0.602 0.000 2.389 289 Q HA -0.169 3.792 4.340 -0.632 0.000 0.204 289 Q C 1.315 177.084 176.000 -0.384 0.000 0.944 289 Q CA 1.706 57.188 55.803 -0.535 0.000 0.908 289 Q CB 0.162 28.614 28.738 -0.477 0.000 1.002 289 Q HN -0.459 7.494 8.270 -0.529 0.000 0.493 290 Q N -0.240 119.356 119.800 -0.340 0.000 2.259 290 Q HA -0.018 4.205 4.340 -0.194 0.000 0.201 290 Q C 0.408 176.288 176.000 -0.200 0.000 0.938 290 Q CA 1.107 56.774 55.803 -0.226 0.000 0.872 290 Q CB 1.617 30.245 28.738 -0.183 0.000 0.971 290 Q HN -0.421 7.444 8.270 -0.385 0.174 0.494 291 T N 2.120 116.537 114.554 -0.228 0.000 2.940 291 T HA 0.194 4.473 4.350 -0.119 0.000 0.288 291 T C -0.916 173.671 174.700 -0.188 0.000 1.033 291 T CA -0.639 61.372 62.100 -0.149 0.000 1.033 291 T CB 1.979 70.823 68.868 -0.040 0.000 1.079 291 T HN -0.130 7.824 8.240 -0.308 0.101 0.496 292 E N 3.023 123.141 120.200 -0.137 0.000 2.493 292 E HA -0.184 4.106 4.350 -0.099 0.000 0.255 292 E C 0.833 177.371 176.600 -0.103 0.000 0.999 292 E CA 0.353 56.674 56.400 -0.132 0.000 0.934 292 E CB 0.141 29.734 29.700 -0.177 0.000 0.940 292 E HN 0.214 8.504 8.360 -0.116 0.000 0.473 293 E N 6.206 126.395 120.200 -0.018 0.000 2.086 293 E HA -0.543 3.912 4.350 0.174 0.000 0.200 293 E C 0.809 177.572 176.600 0.272 0.000 1.012 293 E CA 3.986 60.479 56.400 0.154 0.000 0.812 293 E CB 0.042 29.804 29.700 0.103 0.000 0.743 293 E HN 0.572 8.901 8.360 -0.051 0.000 0.453 294 H N -4.331 114.794 119.070 0.092 0.000 2.389 294 H HA -0.090 4.487 4.556 0.035 0.000 0.299 294 H C 1.786 177.144 175.328 0.049 0.000 1.081 294 H CA 2.282 58.359 56.048 0.048 0.000 1.345 294 H CB -0.871 28.896 29.762 0.008 0.000 1.393 294 H HN 0.167 8.780 8.280 0.556 0.000 0.520 295 K N -0.587 119.516 120.400 -0.495 0.000 2.243 295 K HA -0.098 4.122 4.320 -0.166 0.000 0.201 295 K C 1.819 178.387 176.600 -0.052 0.000 1.051 295 K CA 0.660 56.793 56.287 -0.257 0.000 0.970 295 K CB -0.585 31.721 32.500 -0.323 0.000 0.755 295 K HN -0.641 7.032 8.250 -0.962 0.000 0.465 296 F N 2.473 122.345 119.950 -0.129 0.000 2.234 296 F HA -0.283 4.234 4.527 -0.016 0.000 0.299 296 F C 1.107 176.957 175.800 0.082 0.000 1.087 296 F CA 3.305 61.298 58.000 -0.011 0.000 1.340 296 F CB 0.241 39.247 39.000 0.010 0.000 1.031 296 F HN 0.747 8.886 8.300 0.084 0.211 0.500 297 Q N -1.995 117.728 119.800 -0.128 0.000 2.096 297 Q HA -0.374 3.779 4.340 -0.311 0.000 0.204 297 Q C 2.620 178.542 176.000 -0.131 0.000 0.982 297 Q CA 3.427 59.105 55.803 -0.209 0.000 0.850 297 Q CB -1.000 27.639 28.738 -0.164 0.000 0.901 297 Q HN 0.160 8.359 8.270 0.070 0.113 0.422 298 E N -1.108 119.041 120.200 -0.084 0.000 2.046 298 E HA -0.217 4.116 4.350 -0.028 0.000 0.190 298 E C 2.691 179.269 176.600 -0.035 0.000 0.982 298 E CA 2.584 58.959 56.400 -0.043 0.000 0.800 298 E CB -0.572 29.110 29.700 -0.029 0.000 0.756 298 E HN -0.442 7.780 8.360 -0.073 0.094 0.449 299 Q N -0.453 119.320 119.800 -0.044 0.000 2.084 299 Q HA -0.309 4.041 4.340 0.017 0.000 0.202 299 Q C 2.361 178.356 176.000 -0.009 0.000 0.978 299 Q CA 3.247 59.048 55.803 -0.003 0.000 0.844 299 Q CB 0.137 28.904 28.738 0.047 0.000 0.898 299 Q HN 0.157 8.226 8.270 -0.051 0.170 0.426 300 V N -0.469 119.362 119.914 -0.139 0.000 2.392 300 V HA -0.372 3.762 4.120 0.024 0.000 0.249 300 V C 1.602 177.699 176.094 0.006 0.000 1.059 300 V CA 4.015 66.254 62.300 -0.102 0.000 1.051 300 V CB -0.408 31.220 31.823 -0.325 0.000 0.658 300 V HN 0.572 8.471 8.190 -0.294 0.115 0.455 301 S N 0.030 115.741 115.700 0.019 0.000 2.368 301 S HA -0.263 4.238 4.470 0.052 0.000 0.224 301 S C 1.945 176.565 174.600 0.034 0.000 1.029 301 S CA 4.245 62.471 58.200 0.044 0.000 0.988 301 S CB -0.237 62.995 63.200 0.054 0.000 0.838 301 S HN -0.617 7.593 8.310 -0.007 0.096 0.462 302 K N -0.354 120.065 120.400 0.031 0.000 2.155 302 K HA -0.225 4.112 4.320 0.028 0.000 0.203 302 K C 1.454 178.082 176.600 0.047 0.000 1.052 302 K CA 1.983 58.290 56.287 0.034 0.000 0.948 302 K CB -0.234 32.284 32.500 0.031 0.000 0.728 302 K HN -0.379 7.799 8.250 0.023 0.085 0.448 303 E N -2.706 117.539 120.200 0.075 0.000 2.075 303 E HA -0.038 4.360 4.350 0.080 0.000 0.190 303 E C 1.719 178.346 176.600 0.045 0.000 0.969 303 E CA 1.055 57.517 56.400 0.104 0.000 0.815 303 E CB 0.789 30.640 29.700 0.251 0.000 0.776 303 E HN -0.007 8.297 8.360 0.078 0.103 0.457 304 L N -2.044 119.210 121.223 0.051 0.000 2.056 304 L HA -0.129 4.166 4.340 -0.075 0.000 0.207 304 L C 1.118 177.972 176.870 -0.026 0.000 1.078 304 L CA 1.774 56.606 54.840 -0.013 0.000 0.749 304 L CB 0.292 42.350 42.059 -0.002 0.000 0.901 304 L HN -0.159 8.010 8.230 0.080 0.109 0.433 305 I N -2.260 118.309 120.570 -0.002 0.000 2.574 305 I HA -0.375 4.069 4.170 -0.004 -0.277 0.291 305 I C 0.611 176.727 176.117 -0.002 0.000 1.131 305 I CA 1.628 62.928 61.300 0.001 0.000 1.352 305 I CB -1.664 36.345 38.000 0.014 0.000 1.431 305 I HN -0.726 7.491 8.210 0.012 0.000 0.543 306 G N 5.756 114.551 108.800 -0.008 0.000 2.545 306 G HA2 -0.184 3.772 3.960 -0.006 0.000 0.195 306 G HA3 -0.184 3.776 3.960 0.000 0.000 0.195 306 G C -0.968 173.919 174.900 -0.022 0.000 1.009 306 G CA -0.326 44.769 45.100 -0.008 0.000 0.703 306 G HN 0.708 8.993 8.290 -0.009 0.000 0.479 307 L N -1.165 120.030 121.223 -0.047 0.000 2.453 307 L HA 0.223 4.525 4.340 -0.062 0.000 0.261 307 L C -1.277 175.560 176.870 -0.056 0.000 1.179 307 L CA 0.174 54.969 54.840 -0.075 0.000 0.813 307 L CB 0.151 42.119 42.059 -0.152 0.000 1.110 307 L HN -0.583 7.616 8.230 -0.050 0.000 0.466 308 I N -0.692 119.845 120.570 -0.055 0.000 2.353 308 I HA 0.235 4.514 4.170 -0.005 -0.113 0.293 308 I C -0.247 175.855 176.117 -0.025 0.000 0.992 308 I CA -0.252 61.032 61.300 -0.027 0.000 1.268 308 I CB 0.293 38.278 38.000 -0.026 0.000 1.387 308 I HN 0.013 8.181 8.210 -0.070 0.000 0.478 309 V N 6.848 126.771 119.914 0.016 0.000 2.876 309 V HA 0.687 4.966 4.120 0.014 -0.151 0.312 309 V C -1.876 174.263 176.094 0.074 0.000 1.085 309 V CA -1.626 60.695 62.300 0.036 0.000 0.945 309 V CB 4.309 36.155 31.823 0.039 0.000 1.017 309 V HN 1.046 9.149 8.190 0.041 0.111 0.428 310 L N 0.034 121.299 121.223 0.071 0.000 2.346 310 L HA 1.054 5.577 4.340 0.066 -0.143 0.276 310 L C -0.763 176.135 176.870 0.047 0.000 1.006 310 L CA -2.427 52.443 54.840 0.050 0.000 0.817 310 L CB 3.400 45.457 42.059 -0.003 0.000 1.272 310 L HN 1.072 9.240 8.230 0.078 0.109 0.421 311 T N -1.430 113.120 114.554 -0.005 0.000 2.771 311 T HA 0.559 5.139 4.350 -0.010 -0.236 0.291 311 T C 0.921 175.406 174.700 -0.359 0.000 0.954 311 T CA -1.951 60.064 62.100 -0.141 0.000 1.045 311 T CB 1.961 70.733 68.868 -0.161 0.000 0.917 311 T HN 0.633 8.773 8.240 0.024 0.114 0.484 312 K N 8.534 128.840 120.400 -0.158 0.000 2.103 312 K HA -0.223 4.001 4.320 -0.160 0.000 0.207 312 K C 1.459 178.038 176.600 -0.035 0.000 1.048 312 K CA 1.825 58.051 56.287 -0.102 0.000 0.930 312 K CB -0.342 32.144 32.500 -0.023 0.000 0.716 312 K HN 0.465 8.573 8.250 -0.040 0.117 0.444 313 Y N -6.082 114.388 120.300 0.284 0.000 2.151 313 Y HA -0.173 4.585 4.550 0.346 0.000 0.284 313 Y C 0.853 176.864 175.900 0.186 0.000 1.166 313 Y CA 1.319 59.613 58.100 0.323 0.000 1.163 313 Y CB -1.222 37.492 38.460 0.423 0.000 0.974 313 Y HN -0.071 8.197 8.280 0.026 0.027 0.511 314 N N -3.597 115.094 118.700 -0.015 0.000 2.143 314 N HA 0.016 4.823 4.740 0.110 0.000 0.229 314 N C -1.309 174.153 175.510 -0.080 0.000 1.294 314 N CA -0.360 52.722 53.050 0.054 0.000 0.883 314 N CB 2.585 41.191 38.487 0.198 0.000 1.148 314 N HN -0.780 7.229 8.380 -0.605 0.008 0.511 315 N N -2.866 115.721 118.700 -0.188 0.000 2.738 315 N HA -0.411 4.315 4.740 -0.177 -0.092 0.249 315 N C -0.998 174.427 175.510 -0.142 0.000 1.047 315 N CA 1.272 54.227 53.050 -0.158 0.000 0.707 315 N CB -2.281 36.144 38.487 -0.103 0.000 0.937 315 N HN -0.063 7.971 8.380 -0.249 0.197 0.545 316 K N -0.276 120.002 120.400 -0.203 0.000 2.149 316 K HA 0.058 4.309 4.320 -0.116 0.000 0.245 316 K C -0.810 175.695 176.600 -0.158 0.000 1.024 316 K CA 0.134 56.340 56.287 -0.136 0.000 0.899 316 K CB 1.269 33.776 32.500 0.010 0.000 1.038 316 K HN -0.254 7.764 8.250 -0.385 0.000 0.496 317 T N -1.569 112.780 114.554 -0.342 0.000 2.797 317 T HA 0.484 4.870 4.350 -0.128 -0.112 0.279 317 T C -0.824 173.509 174.700 -0.613 0.000 0.991 317 T CA -1.008 60.910 62.100 -0.304 0.000 0.979 317 T CB 1.389 70.133 68.868 -0.206 0.000 0.943 317 T HN -0.043 7.944 8.240 -0.423 0.000 0.444 318 Y N 2.845 123.144 120.300 -0.001 0.000 2.705 318 Y HA 0.253 4.812 4.550 0.016 0.000 0.332 318 Y C -1.769 174.130 175.900 -0.003 0.000 1.221 318 Y CA -1.246 56.860 58.100 0.011 0.000 1.059 318 Y CB 5.214 43.692 38.460 0.030 0.000 1.298 318 Y HN 1.008 9.312 8.280 0.040 0.000 0.459 319 R N -1.260 119.351 120.500 0.185 0.000 2.750 319 R HA 0.536 5.031 4.340 0.058 -0.120 0.281 319 R C -1.056 175.284 176.300 0.068 0.000 0.972 319 R CA -1.069 55.081 56.100 0.084 0.000 0.912 319 R CB 3.660 33.988 30.300 0.047 0.000 1.187 319 R HN 0.461 8.877 8.270 0.244 0.000 0.464 320 V N 3.940 123.868 119.914 0.022 0.000 2.397 320 V HA -0.139 3.984 4.120 0.005 0.000 0.262 320 V C -0.865 175.231 176.094 0.003 0.000 1.047 320 V CA 1.361 63.661 62.300 -0.000 0.000 1.003 320 V CB -0.531 31.272 31.823 -0.033 0.000 1.037 320 V HN 0.186 8.379 8.190 0.004 0.000 0.480 321 D N 9.921 130.327 120.400 0.011 0.000 2.379 321 D HA 0.113 4.762 4.640 0.015 0.000 0.218 321 D C -0.619 175.688 176.300 0.012 0.000 1.006 321 D CA 2.491 56.501 54.000 0.016 0.000 0.893 321 D CB 1.641 42.456 40.800 0.026 0.000 1.019 321 D HN -0.044 8.334 8.370 0.013 0.000 0.503 322 D N -1.948 118.454 120.400 0.003 0.000 2.661 322 D HA 0.263 4.913 4.640 0.018 0.000 0.228 322 D C -2.174 174.108 176.300 -0.031 0.000 1.183 322 D CA -0.614 53.389 54.000 0.005 0.000 0.844 322 D CB 3.898 44.710 40.800 0.020 0.000 1.555 322 D HN -0.393 7.975 8.370 -0.003 0.000 0.453 323 I N 1.361 121.906 120.570 -0.041 0.000 2.465 323 I HA 0.344 4.531 4.170 -0.180 -0.125 0.291 323 I C -1.743 174.281 176.117 -0.155 0.000 1.014 323 I CA -1.326 59.869 61.300 -0.175 0.000 1.093 323 I CB 3.149 40.942 38.000 -0.346 0.000 1.267 323 I HN 0.128 8.349 8.210 0.018 0.000 0.431 324 D N 6.475 126.764 120.400 -0.185 0.000 2.381 324 D HA 0.287 4.985 4.640 0.095 0.000 0.235 324 D C -1.447 174.789 176.300 -0.107 0.000 1.068 324 D CA -2.025 51.947 54.000 -0.047 0.000 0.832 324 D CB 2.510 43.310 40.800 -0.001 0.000 1.101 324 D HN 0.198 8.443 8.370 -0.209 0.000 0.515 325 W N 2.987 124.287 121.300 0.000 0.000 2.376 325 W HA -0.073 4.588 4.660 0.000 0.000 0.322 325 W C -0.957 175.562 176.519 -0.000 0.000 1.160 325 W CA 0.977 58.322 57.345 0.002 0.000 1.218 325 W CB 1.002 30.467 29.460 0.008 0.000 1.205 325 W HN 0.302 8.760 8.180 0.464 0.000 0.559 326 D N -3.341 117.182 120.400 0.204 0.000 2.911 326 D HA -0.444 4.376 4.640 0.088 -0.126 0.227 326 D C -0.964 175.374 176.300 0.063 0.000 1.164 326 D CA 1.464 55.534 54.000 0.117 0.000 0.782 326 D CB -0.597 40.277 40.800 0.124 0.000 1.094 326 D HN 0.269 8.757 8.370 0.198 0.000 0.425 327 Q N -1.666 118.154 119.800 0.035 0.000 2.394 327 Q HA -0.140 4.221 4.340 0.035 0.000 0.248 327 Q C -0.847 175.149 176.000 -0.007 0.000 0.992 327 Q CA 0.697 56.510 55.803 0.016 0.000 0.888 327 Q CB 1.071 29.810 28.738 0.003 0.000 1.257 327 Q HN -0.309 7.942 8.270 0.023 0.032 0.462 328 N N 3.469 122.177 118.700 0.013 0.000 2.335 328 N HA 0.490 5.221 4.740 -0.014 0.000 0.304 328 N C -1.520 174.019 175.510 0.048 0.000 1.135 328 N CA -2.123 50.934 53.050 0.011 0.000 0.817 328 N CB 1.058 39.557 38.487 0.021 0.000 1.294 328 N HN 0.348 8.747 8.380 0.031 0.000 0.497 329 P HA -0.127 4.432 4.420 0.233 0.000 0.230 329 P C -0.209 177.217 177.300 0.211 0.000 1.158 329 P CA 1.372 64.568 63.100 0.160 0.000 0.769 329 P CB 0.196 31.938 31.700 0.071 0.000 0.807 330 K N -4.211 116.242 120.400 0.089 0.000 2.551 330 K HA -0.071 4.263 4.320 0.023 0.000 0.192 330 K C -0.378 176.194 176.600 -0.047 0.000 1.027 330 K CA -0.149 56.152 56.287 0.023 0.000 1.059 330 K CB -1.709 30.796 32.500 0.009 0.000 0.831 330 K HN 0.012 8.223 8.250 0.067 0.079 0.508 331 S N 2.138 117.812 115.700 -0.044 0.000 2.531 331 S HA -0.064 4.305 4.470 -0.170 0.000 0.279 331 S C -0.398 173.863 174.600 -0.565 0.000 1.305 331 S CA 1.384 59.451 58.200 -0.221 0.000 1.058 331 S CB 0.708 63.838 63.200 -0.116 0.000 0.899 331 S HN -0.696 7.572 8.310 0.105 0.105 0.493 332 T N 0.553 114.803 114.554 -0.507 0.000 2.925 332 T HA 0.745 4.905 4.350 -0.716 -0.239 0.285 332 T C -0.218 174.086 174.700 -0.660 0.000 1.021 332 T CA -1.808 59.950 62.100 -0.570 0.000 1.042 332 T CB 1.976 70.692 68.868 -0.254 0.000 1.037 332 T HN -0.213 7.821 8.240 -0.343 0.000 0.481 333 F N 1.925 121.696 119.950 -0.299 0.000 2.410 333 F HA 0.136 4.476 4.527 -0.312 0.000 0.349 333 F C 0.090 175.770 175.800 -0.199 0.000 1.117 333 F CA -0.902 56.904 58.000 -0.324 0.000 1.104 333 F CB 1.074 39.755 39.000 -0.533 0.000 1.122 333 F HN -0.382 7.690 8.300 -0.380 0.000 0.483 334 K N 4.830 125.239 120.400 0.016 0.000 2.250 334 K HA 0.150 4.465 4.320 -0.009 0.000 0.285 334 K C -0.089 176.515 176.600 0.007 0.000 1.097 334 K CA 0.138 56.424 56.287 -0.002 0.000 0.913 334 K CB -0.759 31.732 32.500 -0.014 0.000 1.179 334 K HN 0.483 8.745 8.250 0.020 0.000 0.462 335 K N 3.548 123.956 120.400 0.013 0.000 2.262 335 K HA 0.105 4.429 4.320 0.006 0.000 0.200 335 K C 0.566 177.172 176.600 0.010 0.000 1.058 335 K CA 1.371 57.666 56.287 0.012 0.000 0.974 335 K CB 1.331 33.846 32.500 0.026 0.000 0.910 335 K HN -0.107 8.153 8.250 0.017 0.000 0.484 336 A N -2.726 120.099 122.820 0.009 0.000 2.571 336 A HA 0.166 4.489 4.320 0.005 0.000 0.274 336 A C -1.225 176.360 177.584 0.001 0.000 1.196 336 A CA -0.817 51.224 52.037 0.006 0.000 0.957 336 A CB 1.025 20.029 19.000 0.007 0.000 1.150 336 A HN -0.553 7.604 8.150 0.011 0.000 0.539 337 D N -1.802 118.597 120.400 -0.002 0.000 3.278 337 D HA -0.287 4.345 4.640 -0.012 0.000 0.233 337 D C -0.242 176.054 176.300 -0.008 0.000 1.149 337 D CA 1.148 55.144 54.000 -0.007 0.000 0.957 337 D CB -0.997 39.799 40.800 -0.006 0.000 0.913 337 D HN -0.010 8.294 8.370 -0.001 0.066 0.409 338 G N 1.249 110.043 108.800 -0.010 0.000 3.382 338 G HA2 -0.232 3.725 3.960 -0.005 0.000 0.214 338 G HA3 -0.232 3.721 3.960 -0.012 0.000 0.214 338 G C -1.283 173.614 174.900 -0.005 0.000 1.025 338 G CA -0.219 44.876 45.100 -0.008 0.000 0.869 338 G HN 0.123 8.405 8.290 -0.012 0.000 0.458 339 S N 1.346 117.047 115.700 0.002 0.000 2.516 339 S HA -0.128 4.350 4.470 0.013 0.000 0.282 339 S C -0.613 173.990 174.600 0.005 0.000 1.286 339 S CA 0.254 58.461 58.200 0.012 0.000 1.066 339 S CB 0.287 63.502 63.200 0.025 0.000 0.884 339 S HN -0.305 8.006 8.310 0.002 0.000 0.491 340 E N 5.228 125.432 120.200 0.006 0.000 2.220 340 E HA 0.191 4.516 4.350 -0.042 0.000 0.256 340 E C -1.679 174.928 176.600 0.011 0.000 0.881 340 E CA -0.716 55.675 56.400 -0.016 0.000 0.766 340 E CB 1.980 31.661 29.700 -0.030 0.000 1.187 340 E HN 0.247 8.615 8.360 0.014 0.000 0.419 341 V N 0.180 120.107 119.914 0.021 0.000 2.709 341 V HA 0.452 4.617 4.120 0.073 0.000 0.308 341 V C -1.343 174.750 176.094 -0.002 0.000 1.062 341 V CA -2.557 59.797 62.300 0.090 0.000 0.901 341 V CB 3.411 35.384 31.823 0.251 0.000 1.003 341 V HN -0.131 8.052 8.190 -0.012 0.000 0.425 342 S N 1.943 117.661 115.700 0.030 0.000 2.681 342 S HA 0.609 5.119 4.470 -0.267 -0.201 0.270 342 S C 1.497 176.177 174.600 0.134 0.000 1.209 342 S CA -1.407 56.770 58.200 -0.039 0.000 0.988 342 S CB 1.962 65.196 63.200 0.057 0.000 1.006 342 S HN -0.245 8.115 8.310 0.084 0.000 0.558 343 F N 0.216 120.240 119.950 0.123 0.000 2.126 343 F HA -0.267 4.603 4.527 0.572 0.000 0.299 343 F C 2.025 178.009 175.800 0.306 0.000 1.096 343 F CA 5.112 63.291 58.000 0.299 0.000 1.255 343 F CB -0.339 38.747 39.000 0.143 0.000 0.997 343 F HN -0.214 8.180 8.300 0.156 0.000 0.479 344 L N -0.874 120.582 121.223 0.388 0.000 2.027 344 L HA -0.351 4.177 4.340 0.313 0.000 0.206 344 L C 1.451 178.481 176.870 0.266 0.000 1.074 344 L CA 3.410 58.423 54.840 0.289 0.000 0.745 344 L CB -0.401 41.773 42.059 0.191 0.000 0.898 344 L HN -0.139 8.288 8.230 0.343 0.009 0.433 345 E N -0.551 119.789 120.200 0.233 0.000 2.058 345 E HA -0.425 4.008 4.350 0.138 0.000 0.194 345 E C 2.258 178.993 176.600 0.226 0.000 0.997 345 E CA 2.779 59.294 56.400 0.191 0.000 0.801 345 E CB -0.498 29.303 29.700 0.168 0.000 0.746 345 E HN -0.585 7.906 8.360 0.220 0.000 0.450 346 Y N -0.676 119.727 120.300 0.172 0.000 2.114 346 Y HA -0.392 4.182 4.550 0.040 0.000 0.284 346 Y C 2.156 178.124 175.900 0.113 0.000 1.143 346 Y CA 3.883 62.051 58.100 0.113 0.000 1.135 346 Y CB 0.342 38.870 38.460 0.115 0.000 0.980 346 Y HN -0.177 8.390 8.280 0.479 0.000 0.499 347 Y N -1.894 118.540 120.300 0.223 0.000 2.286 347 Y HA -0.153 4.452 4.550 0.092 0.000 0.293 347 Y C 1.905 177.860 175.900 0.092 0.000 1.124 347 Y CA 2.826 61.021 58.100 0.158 0.000 1.178 347 Y CB 0.484 39.101 38.460 0.261 0.000 1.010 347 Y HN 0.085 8.710 8.280 0.574 0.000 0.536 348 R N -0.067 120.546 120.500 0.187 0.000 2.096 348 R HA -0.129 4.557 4.340 0.130 -0.268 0.235 348 R C 1.944 178.222 176.300 -0.037 0.000 1.127 348 R CA 1.719 57.876 56.100 0.095 0.000 0.968 348 R CB -0.538 29.830 30.300 0.113 0.000 0.861 348 R HN -0.029 8.295 8.270 0.262 0.103 0.440 349 K N -2.452 117.898 120.400 -0.082 0.000 2.362 349 K HA -0.128 4.123 4.320 -0.115 0.000 0.200 349 K C 1.428 177.863 176.600 -0.276 0.000 1.046 349 K CA 1.375 57.570 56.287 -0.154 0.000 0.952 349 K CB -0.775 31.633 32.500 -0.154 0.000 0.753 349 K HN -0.622 7.592 8.250 -0.040 0.011 0.466 350 Q N -3.358 116.215 119.800 -0.378 0.000 2.178 350 Q HA -0.110 3.868 4.340 -0.603 0.000 0.195 350 Q C 0.161 175.634 176.000 -0.879 0.000 0.960 350 Q CA 1.894 57.316 55.803 -0.634 0.000 0.843 350 Q CB 1.943 30.290 28.738 -0.652 0.000 0.927 350 Q HN -0.502 7.399 8.270 -0.315 0.180 0.487 351 Y N -5.031 115.094 120.300 -0.293 0.000 2.544 351 Y HA 0.188 4.670 4.550 -0.113 0.000 0.342 351 Y C -1.148 174.720 175.900 -0.053 0.000 1.062 351 Y CA -1.228 56.770 58.100 -0.169 0.000 1.023 351 Y CB 3.178 41.526 38.460 -0.186 0.000 1.308 351 Y HN 0.164 8.125 8.280 -0.351 0.109 0.457 352 N N 0.547 119.349 118.700 0.170 0.000 2.617 352 N HA -0.183 4.621 4.740 0.106 0.000 0.198 352 N C -1.228 174.382 175.510 0.166 0.000 1.317 352 N CA 0.568 53.696 53.050 0.131 0.000 0.892 352 N CB -0.805 37.737 38.487 0.092 0.000 1.041 352 N HN 0.265 8.762 8.380 0.196 0.000 0.450 353 Q N -1.134 118.818 119.800 0.252 0.000 2.364 353 Q HA -0.085 4.362 4.340 0.178 0.000 0.267 353 Q C 0.015 176.158 176.000 0.238 0.000 0.999 353 Q CA 0.014 55.977 55.803 0.267 0.000 0.886 353 Q CB 0.583 29.577 28.738 0.426 0.000 1.243 353 Q HN -0.955 7.359 8.270 0.299 0.136 0.415 354 E N 3.068 123.356 120.200 0.146 0.000 2.151 354 E HA 0.177 4.606 4.350 0.132 0.000 0.275 354 E C -0.746 175.893 176.600 0.065 0.000 0.936 354 E CA -1.328 55.137 56.400 0.107 0.000 0.777 354 E CB 0.934 30.677 29.700 0.071 0.000 1.108 354 E HN 0.305 8.736 8.360 0.119 0.000 0.401 355 I N 0.839 121.443 120.570 0.056 0.000 2.575 355 I HA 0.206 4.344 4.170 -0.053 0.000 0.285 355 I C -0.527 175.574 176.117 -0.026 0.000 1.085 355 I CA 0.544 61.833 61.300 -0.017 0.000 1.403 355 I CB 0.633 38.614 38.000 -0.031 0.000 1.409 355 I HN 0.133 8.402 8.210 0.097 0.000 0.557 356 T N 2.310 116.827 114.554 -0.061 0.000 3.948 356 T HA 0.145 4.474 4.350 -0.035 0.000 0.303 356 T C -0.952 173.704 174.700 -0.074 0.000 0.942 356 T CA -0.110 61.960 62.100 -0.050 0.000 1.028 356 T CB 0.056 68.904 68.868 -0.033 0.000 1.154 356 T HN -0.201 7.983 8.240 -0.093 0.000 0.471 357 D N 2.336 122.671 120.400 -0.108 0.000 2.165 357 D HA -0.100 4.475 4.640 -0.109 0.000 0.213 357 D C -0.962 175.287 176.300 -0.084 0.000 0.983 357 D CA 0.940 54.869 54.000 -0.119 0.000 0.881 357 D CB 0.011 40.698 40.800 -0.188 0.000 1.028 357 D HN -0.110 8.183 8.370 -0.128 0.000 0.457 358 L N -0.307 120.868 121.223 -0.079 0.000 3.339 358 L HA -0.397 3.921 4.340 -0.037 0.000 0.610 358 L C -0.356 176.498 176.870 -0.027 0.000 1.015 358 L CA 1.062 55.876 54.840 -0.042 0.000 1.223 358 L CB -1.373 40.670 42.059 -0.026 0.000 1.327 358 L HN -0.333 7.832 8.230 -0.107 0.000 0.716 359 K N -5.966 114.423 120.400 -0.017 0.000 3.553 359 K HA -0.531 3.867 4.320 0.024 -0.064 0.303 359 K C -0.444 176.165 176.600 0.014 0.000 1.327 359 K CA 1.337 57.631 56.287 0.012 0.000 0.983 359 K CB -1.783 30.730 32.500 0.022 0.000 1.275 359 K HN 0.182 8.415 8.250 -0.027 0.000 0.453 360 Q N -0.621 119.162 119.800 -0.027 0.000 2.230 360 Q HA 0.378 4.711 4.340 -0.012 0.000 0.248 360 Q C -2.352 173.597 176.000 -0.087 0.000 0.915 360 Q CA -2.395 53.380 55.803 -0.046 0.000 0.900 360 Q CB 0.604 29.299 28.738 -0.071 0.000 1.229 360 Q HN -0.038 8.102 8.270 -0.046 0.102 0.439 361 P HA 0.110 4.634 4.420 -0.208 -0.230 0.268 361 P C -0.807 176.358 177.300 -0.225 0.000 1.205 361 P CA -0.181 62.761 63.100 -0.263 0.000 0.771 361 P CB 0.495 31.843 31.700 -0.588 0.000 0.858 362 V N -4.428 115.368 119.914 -0.198 0.000 2.769 362 V HA 0.294 4.317 4.120 -0.161 0.000 0.312 362 V C -1.430 174.581 176.094 -0.137 0.000 1.058 362 V CA -3.153 59.056 62.300 -0.152 0.000 0.952 362 V CB 2.647 34.404 31.823 -0.111 0.000 1.019 362 V HN 0.575 8.651 8.190 -0.189 0.000 0.445 363 L N 2.237 123.402 121.223 -0.097 0.000 2.276 363 L HA 0.245 4.520 4.340 -0.108 0.000 0.286 363 L C -1.071 175.773 176.870 -0.043 0.000 1.061 363 L CA -0.948 53.844 54.840 -0.079 0.000 0.807 363 L CB 0.169 42.191 42.059 -0.062 0.000 1.177 363 L HN 0.587 8.674 8.230 -0.083 0.094 0.429 364 V N 5.165 125.056 119.914 -0.039 0.000 2.398 364 V HA 0.615 4.914 4.120 -0.013 -0.187 0.286 364 V C -0.134 175.953 176.094 -0.012 0.000 1.026 364 V CA -1.628 60.662 62.300 -0.017 0.000 0.868 364 V CB 1.479 33.300 31.823 -0.004 0.000 0.982 364 V HN 0.864 9.023 8.190 -0.053 0.000 0.443 365 S N 6.399 122.088 115.700 -0.018 0.000 2.508 365 S HA 0.476 5.119 4.470 0.027 -0.157 0.284 365 S C -1.481 173.134 174.600 0.025 0.000 1.192 365 S CA -0.967 57.240 58.200 0.012 0.000 1.070 365 S CB 1.552 64.756 63.200 0.007 0.000 1.004 365 S HN 0.659 8.947 8.310 -0.037 0.000 0.493 366 Q N 4.734 124.557 119.800 0.038 0.000 2.368 366 Q HA 0.410 4.768 4.340 0.030 0.000 0.263 366 Q C -1.308 174.719 176.000 0.044 0.000 1.009 366 Q CA -3.260 52.564 55.803 0.035 0.000 0.818 366 Q CB 1.290 30.046 28.738 0.030 0.000 1.239 366 Q HN 0.592 9.358 8.270 0.045 -0.468 0.464 367 P HA -0.171 4.288 4.420 0.064 0.000 0.219 367 P C -0.829 176.495 177.300 0.039 0.000 1.146 367 P CA 0.881 64.010 63.100 0.049 0.000 0.808 367 P CB 0.404 32.129 31.700 0.042 0.000 0.779 368 K N -2.394 118.026 120.400 0.032 0.000 2.468 368 K HA 0.131 4.467 4.320 0.027 0.000 0.252 368 K C -0.625 175.990 176.600 0.024 0.000 0.932 368 K CA -1.178 55.125 56.287 0.026 0.000 0.794 368 K CB 2.121 34.634 32.500 0.022 0.000 1.241 368 K HN -0.564 7.665 8.250 0.031 0.040 0.428 369 R N 1.330 121.843 120.500 0.022 0.000 2.896 369 R HA -0.051 4.302 4.340 0.022 0.000 0.283 369 R C 0.301 176.611 176.300 0.018 0.000 1.201 369 R CA -0.018 56.094 56.100 0.020 0.000 1.178 369 R CB 0.384 30.695 30.300 0.018 0.000 1.152 369 R HN 0.263 8.546 8.270 0.021 0.000 0.590 370 R N 0.881 121.391 120.500 0.017 0.000 2.488 370 R HA -0.103 4.247 4.340 0.016 0.000 0.306 370 R C -0.619 175.689 176.300 0.014 0.000 1.271 370 R CA 1.232 57.342 56.100 0.016 0.000 1.022 370 R CB -1.111 29.198 30.300 0.015 0.000 1.054 370 R HN 0.394 8.674 8.270 0.017 0.000 0.500 371 R N 4.443 124.951 120.500 0.013 0.000 3.246 371 R HA 0.135 4.482 4.340 0.011 0.000 0.144 371 R C -0.427 175.880 176.300 0.012 0.000 0.772 371 R CA -0.086 56.021 56.100 0.012 0.000 1.364 371 R CB 1.599 31.906 30.300 0.011 0.000 1.665 371 R HN 0.451 8.703 8.270 0.014 0.027 0.520 372 G N 3.581 112.388 108.800 0.013 0.000 3.292 372 G HA2 -0.146 3.821 3.960 0.012 0.000 0.636 372 G HA3 -0.146 3.822 3.960 0.013 0.000 0.636 372 G C -1.832 173.074 174.900 0.011 0.000 1.069 372 G CA -0.478 44.629 45.100 0.012 0.000 0.890 372 G HN -0.110 8.188 8.290 0.014 0.000 0.427 373 P HA 0.055 4.481 4.420 0.010 0.000 0.255 373 P C 1.412 178.718 177.300 0.010 0.000 1.248 373 P CA -0.135 62.971 63.100 0.011 0.000 0.807 373 P CB 0.644 32.351 31.700 0.012 0.000 1.150 374 G N 0.742 109.548 108.800 0.010 0.000 5.229 374 G HA2 -0.302 3.662 3.960 0.008 0.000 0.250 374 G HA3 -0.302 3.663 3.960 0.009 0.000 0.250 374 G C 0.070 174.975 174.900 0.009 0.000 1.380 374 G CA 0.221 45.326 45.100 0.009 0.000 0.933 374 G HN 0.105 8.316 8.290 0.011 0.085 0.731 375 G N 5.234 114.039 108.800 0.008 0.000 2.530 375 G HA2 0.159 4.123 3.960 0.007 0.000 0.313 375 G HA3 0.159 4.123 3.960 0.007 0.000 0.313 375 G C -0.405 174.500 174.900 0.010 0.000 0.971 375 G CA -0.518 44.587 45.100 0.008 0.000 1.237 375 G HN -0.156 8.085 8.290 0.008 0.053 0.446 376 T N 5.905 120.465 114.554 0.010 0.000 2.855 376 T HA -0.054 4.305 4.350 0.014 0.000 0.290 376 T C 0.242 174.949 174.700 0.011 0.000 0.941 376 T CA -0.512 61.595 62.100 0.012 0.000 1.030 376 T CB 0.101 68.977 68.868 0.013 0.000 0.935 376 T HN -0.270 7.975 8.240 0.009 0.000 0.564 377 L N 5.652 126.883 121.223 0.012 0.000 1.989 377 L HA -0.054 4.292 4.340 0.009 0.000 0.211 377 L C -1.203 175.674 176.870 0.012 0.000 1.071 377 L CA 1.942 56.789 54.840 0.011 0.000 0.749 377 L CB -1.362 40.704 42.059 0.012 0.000 0.890 377 L HN 0.073 8.311 8.230 0.013 0.000 0.431 378 P HA 0.076 4.505 4.420 0.016 0.000 0.287 378 P C -0.446 176.863 177.300 0.016 0.000 1.281 378 P CA -0.796 62.315 63.100 0.018 0.000 0.781 378 P CB 0.552 32.267 31.700 0.026 0.000 0.903 379 G N 3.109 111.916 108.800 0.011 0.000 2.544 379 G HA2 0.044 4.007 3.960 0.005 0.000 0.242 379 G HA3 0.044 4.008 3.960 0.008 0.000 0.242 379 G C -1.393 173.514 174.900 0.012 0.000 1.247 379 G CA -1.145 43.960 45.100 0.009 0.000 0.840 379 G HN -0.071 8.225 8.290 0.010 0.000 0.578 380 P HA -0.170 4.259 4.420 0.015 0.000 0.263 380 P C -1.542 175.765 177.300 0.012 0.000 1.195 380 P CA 0.154 63.262 63.100 0.012 0.000 0.762 380 P CB 0.476 32.184 31.700 0.013 0.000 0.799 381 A N 6.423 129.243 122.820 -0.000 0.000 2.302 381 A HA 0.401 4.723 4.320 0.004 0.000 0.295 381 A C -1.684 175.895 177.584 -0.010 0.000 1.235 381 A CA -0.785 51.240 52.037 -0.020 0.000 0.876 381 A CB 1.109 20.059 19.000 -0.083 0.000 1.133 381 A HN 0.017 8.167 8.150 -0.000 0.000 0.533 382 M N 3.340 122.978 119.600 0.063 0.000 2.181 382 M HA 0.881 5.573 4.480 0.046 -0.185 0.323 382 M C -1.532 174.894 176.300 0.210 0.000 1.004 382 M CA -0.922 54.446 55.300 0.113 0.000 0.941 382 M CB 1.762 34.456 32.600 0.156 0.000 1.579 382 M HN 0.245 8.593 8.290 0.097 0.000 0.427 383 L N 4.326 125.614 121.223 0.109 0.000 2.333 383 L HA 0.540 5.040 4.340 0.265 0.000 0.280 383 L C -0.959 175.919 176.870 0.015 0.000 1.004 383 L CA -1.958 52.956 54.840 0.124 0.000 0.820 383 L CB 1.610 43.705 42.059 0.060 0.000 1.247 383 L HN 1.038 9.184 8.230 0.035 0.106 0.416 384 I N -0.655 119.869 120.570 -0.077 0.000 2.779 384 I HA 0.324 4.363 4.170 -0.218 0.000 0.285 384 I C -0.146 175.895 176.117 -0.127 0.000 1.134 384 I CA -1.571 59.596 61.300 -0.221 0.000 1.398 384 I CB -0.732 36.993 38.000 -0.459 0.000 1.404 384 I HN 0.473 8.670 8.210 -0.022 0.000 0.587 385 P HA -0.247 4.123 4.420 -0.084 0.000 0.214 385 P C 1.569 178.837 177.300 -0.053 0.000 1.169 385 P CA 2.740 65.784 63.100 -0.093 0.000 0.908 385 P CB -0.087 31.549 31.700 -0.107 0.000 0.791 386 E N -4.310 115.862 120.200 -0.047 0.000 2.418 386 E HA -0.112 4.267 4.350 0.049 0.000 0.197 386 E C 1.182 177.859 176.600 0.128 0.000 1.026 386 E CA 0.825 57.250 56.400 0.042 0.000 0.862 386 E CB -0.848 28.862 29.700 0.017 0.000 0.799 386 E HN -0.360 7.948 8.360 -0.087 0.000 0.518 387 L N -2.711 118.532 121.223 0.034 0.000 2.653 387 L HA 0.054 4.422 4.340 0.046 0.000 0.231 387 L C -1.461 175.472 176.870 0.105 0.000 1.153 387 L CA -0.174 54.689 54.840 0.038 0.000 0.933 387 L CB 0.026 42.052 42.059 -0.055 0.000 1.175 387 L HN -0.555 7.503 8.230 -0.027 0.156 0.473 388 C N -1.218 118.172 119.300 0.150 0.000 2.396 388 C HA 0.504 5.226 4.460 0.133 -0.181 0.321 388 C C -1.623 173.495 174.990 0.214 0.000 1.233 388 C CA -0.658 58.444 59.018 0.140 0.000 1.440 388 C CB 2.503 30.269 27.740 0.044 0.000 2.110 388 C HN -0.051 8.047 8.230 0.135 0.213 0.473 389 Y N 1.766 122.049 120.300 -0.027 0.000 2.570 389 Y HA 0.273 4.889 4.550 -0.021 -0.079 0.345 389 Y C -1.092 174.788 175.900 -0.033 0.000 1.014 389 Y CA -1.424 56.660 58.100 -0.027 0.000 1.063 389 Y CB 4.722 43.165 38.460 -0.027 0.000 1.272 389 Y HN 0.925 9.344 8.280 0.232 0.000 0.477 390 L N -0.154 121.095 121.223 0.043 0.000 2.410 390 L HA 0.001 4.319 4.340 -0.036 0.000 0.273 390 L C 0.416 177.307 176.870 0.034 0.000 1.144 390 L CA 0.748 55.584 54.840 -0.005 0.000 0.863 390 L CB -0.491 41.537 42.059 -0.052 0.000 1.140 390 L HN 0.379 8.597 8.230 -0.020 0.000 0.463 391 T N 3.144 117.703 114.554 0.008 0.000 3.035 391 T HA -0.030 4.333 4.350 0.021 0.000 0.259 391 T C 0.439 175.137 174.700 -0.002 0.000 1.078 391 T CA 1.970 64.075 62.100 0.007 0.000 1.132 391 T CB 0.534 69.398 68.868 -0.007 0.000 0.900 391 T HN 0.058 8.290 8.240 -0.012 0.000 0.480 392 G N -0.901 107.891 108.800 -0.013 0.000 3.006 392 G HA2 -0.246 3.710 3.960 -0.008 0.000 0.195 392 G HA3 -0.246 3.710 3.960 -0.007 0.000 0.195 392 G C -0.013 174.875 174.900 -0.019 0.000 1.034 392 G CA -0.126 44.967 45.100 -0.011 0.000 0.807 392 G HN -0.599 7.677 8.290 -0.023 0.000 0.469 393 L N 1.210 122.418 121.223 -0.025 0.000 2.711 393 L HA 0.018 4.346 4.340 -0.020 0.000 0.242 393 L C 0.343 177.189 176.870 -0.040 0.000 1.153 393 L CA 0.875 55.699 54.840 -0.027 0.000 0.898 393 L CB -0.626 41.417 42.059 -0.025 0.000 1.044 393 L HN -0.077 8.138 8.230 -0.025 0.000 0.437 394 T N -7.651 106.870 114.554 -0.054 0.000 3.065 394 T HA -0.076 4.214 4.350 -0.100 0.000 0.252 394 T C 0.028 174.695 174.700 -0.056 0.000 1.099 394 T CA -0.802 61.244 62.100 -0.089 0.000 1.063 394 T CB -0.039 68.741 68.868 -0.146 0.000 0.948 394 T HN -0.392 7.674 8.240 -0.046 0.146 0.506 395 D N 0.000 120.385 120.400 -0.025 0.000 6.856 395 D HA 0.000 4.645 4.640 0.009 0.000 0.175 395 D CA 0.000 53.999 54.000 -0.002 0.000 0.868 395 D CB 0.000 40.803 40.800 0.004 0.000 0.688 395 D HN 0.000 8.303 8.370 -0.025 0.052 0.683