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 1f9x_1_A DATA FIRST_RESID 240 DATA SEQUENCE MSDAVSSDRN FPNSTNLPRN PSMADYEARI FTFGTWIYSV NKEQLARAGF DATA SEQUENCE YALGEGDKVK CFHCGGGLTD WKPSEDPWEQ HAKWYPGCKY LLEQKGQEYI DATA SEQUENCE NNIHLTHSLE ECLVRTT 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 240 M HA 0.000 4.483 4.480 0.005 0.000 0.227 240 M C 0.000 176.298 176.300 -0.003 0.000 1.140 240 M CA 0.000 55.302 55.300 0.003 0.000 0.988 240 M CB 0.000 32.599 32.600 -0.001 0.000 1.302 241 S N -1.589 114.111 115.700 0.001 0.000 3.740 241 S HA -0.254 4.217 4.470 0.003 0.000 0.637 241 S C -0.815 173.779 174.600 -0.010 0.000 2.126 241 S CA 0.564 58.763 58.200 -0.002 0.000 2.309 241 S CB -0.336 62.862 63.200 -0.002 0.000 0.330 241 S HN -0.247 8.066 8.310 0.004 0.000 1.786 242 D N 3.905 124.296 120.400 -0.014 0.000 2.598 242 D HA -0.114 4.518 4.640 -0.013 0.000 0.231 242 D C -0.720 175.563 176.300 -0.027 0.000 1.127 242 D CA 0.601 54.590 54.000 -0.018 0.000 1.126 242 D CB -1.890 38.900 40.800 -0.017 0.000 1.124 242 D HN 0.153 8.516 8.370 -0.012 0.000 0.485 243 A N 0.443 123.249 122.820 -0.025 0.000 1.478 243 A HA -0.371 3.935 4.320 -0.024 0.000 0.209 243 A C -0.009 177.547 177.584 -0.047 0.000 1.187 243 A CA 0.590 52.609 52.037 -0.030 0.000 0.583 243 A CB -0.238 18.746 19.000 -0.027 0.000 1.272 243 A HN 0.274 8.364 8.150 -0.018 0.049 0.177 244 V N 2.090 121.975 119.914 -0.048 0.000 2.439 244 V HA -0.472 3.592 4.120 -0.093 0.000 0.253 244 V C 1.291 177.330 176.094 -0.091 0.000 1.074 244 V CA 2.900 65.157 62.300 -0.072 0.000 1.076 244 V CB 0.168 31.962 31.823 -0.050 0.000 0.664 244 V HN 0.375 8.544 8.190 -0.034 0.000 0.461 245 S N -3.979 111.684 115.700 -0.062 0.000 2.446 245 S HA -0.076 4.353 4.470 -0.068 0.000 0.225 245 S C 0.363 174.927 174.600 -0.060 0.000 1.016 245 S CA 1.975 60.140 58.200 -0.058 0.000 0.943 245 S CB -0.031 63.147 63.200 -0.036 0.000 0.786 245 S HN 0.013 8.263 8.310 -0.047 0.031 0.508 246 S N -0.142 115.525 115.700 -0.055 0.000 2.552 246 S HA 0.159 4.602 4.470 -0.045 0.000 0.246 246 S C -0.947 173.618 174.600 -0.059 0.000 1.019 246 S CA 0.207 58.378 58.200 -0.048 0.000 1.045 246 S CB 0.310 63.490 63.200 -0.032 0.000 0.784 246 S HN -0.347 7.806 8.310 -0.051 0.127 0.453 247 D N 1.428 121.774 120.400 -0.091 0.000 2.880 247 D HA 0.096 4.691 4.640 -0.075 0.000 0.168 247 D C -0.720 175.471 176.300 -0.181 0.000 1.452 247 D CA 1.128 55.063 54.000 -0.108 0.000 1.553 247 D CB 1.362 42.102 40.800 -0.101 0.000 1.386 247 D HN -0.597 7.620 8.370 -0.107 0.089 0.208 248 R N -1.996 118.303 120.500 -0.334 0.000 2.571 248 R HA 0.048 4.107 4.340 -0.468 0.000 0.104 248 R C -1.319 174.168 176.300 -1.354 0.000 0.542 248 R CA 0.264 55.971 56.100 -0.655 0.000 0.773 248 R CB 0.386 30.375 30.300 -0.520 0.000 0.982 248 R HN -0.128 7.957 8.270 -0.307 0.000 0.596 249 N N -2.593 115.692 118.700 -0.691 0.000 2.678 249 N HA -0.343 4.265 4.740 -0.219 0.000 0.249 249 N C -1.010 174.279 175.510 -0.368 0.000 1.119 249 N CA 2.061 54.831 53.050 -0.466 0.000 0.718 249 N CB -0.872 37.450 38.487 -0.274 0.000 1.060 249 N HN -0.326 7.806 8.380 -0.414 0.000 0.552 250 F N -9.643 110.317 119.950 0.018 0.000 2.885 250 F HA 0.304 4.843 4.527 0.020 0.000 0.331 250 F C -2.925 172.884 175.800 0.014 0.000 1.135 250 F CA -2.667 55.344 58.000 0.019 0.000 0.911 250 F CB -0.374 38.642 39.000 0.026 0.000 1.316 250 F HN -0.714 7.395 8.300 -0.512 -0.116 0.454 251 P HA -0.099 4.392 4.420 0.118 0.000 0.231 251 P C -1.204 176.223 177.300 0.212 0.000 1.756 251 P CA -0.286 62.919 63.100 0.176 0.000 0.990 251 P CB -1.969 29.799 31.700 0.113 0.000 1.973 252 N N 0.982 119.876 118.700 0.323 0.000 2.527 252 N HA -0.418 4.554 4.740 0.386 0.000 0.293 252 N C -0.111 175.494 175.510 0.159 0.000 1.283 252 N CA 0.743 53.957 53.050 0.274 0.000 0.702 252 N CB -0.235 38.328 38.487 0.126 0.000 0.937 252 N HN 0.350 8.871 8.380 0.344 0.066 0.536 253 S N -0.805 114.920 115.700 0.042 0.000 2.359 253 S HA -0.301 4.070 4.470 -0.164 0.000 0.224 253 S C 0.498 175.036 174.600 -0.104 0.000 1.035 253 S CA 2.287 60.349 58.200 -0.231 0.000 1.018 253 S CB 0.156 62.935 63.200 -0.703 0.000 0.876 253 S HN 0.250 8.680 8.310 0.201 0.000 0.448 254 T N 1.104 115.619 114.554 -0.065 0.000 2.825 254 T HA -0.131 4.341 4.350 -0.070 -0.164 0.270 254 T C -0.141 174.536 174.700 -0.039 0.000 0.919 254 T CA 0.091 62.161 62.100 -0.051 0.000 1.159 254 T CB -0.247 68.603 68.868 -0.031 0.000 0.889 254 T HN -0.383 7.835 8.240 -0.036 0.000 0.565 255 N N 7.646 126.313 118.700 -0.056 0.000 3.050 255 N HA -0.018 4.707 4.740 -0.026 0.000 0.289 255 N C -0.534 174.923 175.510 -0.090 0.000 1.209 255 N CA -0.221 52.798 53.050 -0.050 0.000 1.154 255 N CB -1.188 37.277 38.487 -0.037 0.000 1.444 255 N HN 0.103 8.443 8.380 -0.066 0.000 0.529 256 L N -2.136 119.041 121.223 -0.077 0.000 3.823 256 L HA -0.259 4.037 4.340 -0.073 0.000 0.525 256 L C -2.098 174.663 176.870 -0.181 0.000 1.247 256 L CA 0.242 55.024 54.840 -0.096 0.000 0.776 256 L CB -2.057 39.959 42.059 -0.072 0.000 1.443 256 L HN -0.280 7.873 8.230 -0.050 0.047 0.831 257 P HA 0.082 4.220 4.420 -0.469 0.000 0.341 257 P C -0.750 176.432 177.300 -0.197 0.000 1.332 257 P CA -1.125 61.813 63.100 -0.270 0.000 0.769 257 P CB 0.979 32.578 31.700 -0.169 0.000 1.726 258 R N -2.550 117.877 120.500 -0.122 0.000 3.264 258 R HA -0.405 3.980 4.340 -0.047 -0.073 0.251 258 R C -1.055 175.288 176.300 0.071 0.000 0.971 258 R CA 1.026 57.103 56.100 -0.039 0.000 0.658 258 R CB -2.123 28.102 30.300 -0.124 0.000 1.095 258 R HN -0.107 7.986 8.270 -0.114 0.109 0.443 259 N N -0.679 118.077 118.700 0.094 0.000 2.886 259 N HA 0.426 5.208 4.740 0.070 0.000 0.285 259 N C -1.226 174.376 175.510 0.154 0.000 1.706 259 N CA -1.712 51.386 53.050 0.080 0.000 0.904 259 N CB 0.449 38.929 38.487 -0.012 0.000 1.224 259 N HN -0.559 7.873 8.380 0.088 0.000 0.488 260 P HA -0.083 4.103 4.420 -0.390 0.000 0.226 260 P C 0.556 177.808 177.300 -0.080 0.000 1.153 260 P CA 1.382 64.352 63.100 -0.216 0.000 0.777 260 P CB 0.074 31.609 31.700 -0.275 0.000 0.794 261 S N -2.586 113.111 115.700 -0.005 0.000 2.359 261 S HA -0.271 4.185 4.470 -0.024 0.000 0.223 261 S C 1.457 176.038 174.600 -0.033 0.000 1.039 261 S CA 3.232 61.425 58.200 -0.011 0.000 1.042 261 S CB -0.201 63.004 63.200 0.009 0.000 0.915 261 S HN -0.017 8.261 8.310 0.031 0.051 0.439 262 M N -1.488 118.101 119.600 -0.018 0.000 2.441 262 M HA 0.048 4.465 4.480 -0.105 0.000 0.244 262 M C -0.254 175.926 176.300 -0.199 0.000 1.122 262 M CA -0.137 55.100 55.300 -0.106 0.000 1.041 262 M CB 0.731 33.255 32.600 -0.127 0.000 1.438 262 M HN -0.596 7.728 8.290 0.056 0.000 0.484 263 A N -0.876 121.870 122.820 -0.124 0.000 2.337 263 A HA 0.003 4.158 4.320 -0.275 0.000 0.227 263 A C -0.038 177.481 177.584 -0.108 0.000 1.259 263 A CA -0.413 51.535 52.037 -0.148 0.000 0.870 263 A CB 0.020 19.010 19.000 -0.017 0.000 0.927 263 A HN -0.621 7.329 8.150 -0.038 0.177 0.497 264 D N -1.080 119.271 120.400 -0.081 0.000 2.192 264 D HA -0.206 4.415 4.640 -0.031 0.000 0.238 264 D C 1.150 177.478 176.300 0.048 0.000 1.348 264 D CA 0.950 54.939 54.000 -0.018 0.000 0.938 264 D CB 0.854 41.650 40.800 -0.007 0.000 1.256 264 D HN -0.748 7.471 8.370 -0.091 0.096 0.529 265 Y N 1.325 121.620 120.300 -0.009 0.000 2.109 265 Y HA -0.369 4.207 4.550 0.043 0.000 0.281 265 Y C 1.445 177.366 175.900 0.035 0.000 1.113 265 Y CA 4.834 62.947 58.100 0.022 0.000 1.098 265 Y CB 0.456 38.925 38.460 0.014 0.000 0.996 265 Y HN 0.222 8.625 8.280 0.204 0.000 0.485 266 E N -2.376 117.989 120.200 0.275 0.000 2.401 266 E HA -0.333 4.149 4.350 0.219 0.000 0.199 266 E C 1.813 178.476 176.600 0.106 0.000 1.023 266 E CA 3.195 59.701 56.400 0.177 0.000 0.859 266 E CB -0.713 29.054 29.700 0.112 0.000 0.780 266 E HN 0.363 8.897 8.360 0.289 0.000 0.523 267 A N -0.764 122.086 122.820 0.051 0.000 1.872 267 A HA -0.137 4.175 4.320 -0.014 0.000 0.214 267 A C 1.662 179.306 177.584 0.099 0.000 1.187 267 A CA 2.316 54.366 52.037 0.021 0.000 0.614 267 A CB -0.652 18.309 19.000 -0.064 0.000 0.826 267 A HN -0.025 7.999 8.150 0.052 0.157 0.442 268 R N -1.175 119.366 120.500 0.067 0.000 2.109 268 R HA -0.333 4.087 4.340 0.133 0.000 0.227 268 R C 2.729 179.196 176.300 0.277 0.000 1.132 268 R CA 3.049 59.240 56.100 0.153 0.000 0.907 268 R CB -0.368 30.015 30.300 0.137 0.000 0.825 268 R HN -0.751 7.535 8.270 0.028 0.000 0.432 269 I N -1.359 119.325 120.570 0.189 0.000 2.181 269 I HA -0.435 3.892 4.170 0.262 0.000 0.247 269 I C 1.837 178.037 176.117 0.138 0.000 1.081 269 I CA 3.470 64.874 61.300 0.175 0.000 1.340 269 I CB -0.313 37.693 38.000 0.011 0.000 1.036 269 I HN -0.481 7.742 8.210 0.022 0.000 0.417 270 F N -1.495 118.436 119.950 -0.031 0.000 2.126 270 F HA -0.369 4.077 4.527 -0.134 0.000 0.299 270 F C 1.401 177.084 175.800 -0.196 0.000 1.096 270 F CA 3.520 61.453 58.000 -0.111 0.000 1.255 270 F CB -0.004 38.946 39.000 -0.084 0.000 0.997 270 F HN -0.640 7.801 8.300 0.256 0.012 0.479 271 T N 0.951 115.365 114.554 -0.233 0.000 2.684 271 T HA -0.433 3.623 4.350 -0.489 0.000 0.267 271 T C 1.892 176.202 174.700 -0.649 0.000 1.036 271 T CA 3.623 65.434 62.100 -0.482 0.000 1.148 271 T CB -0.262 68.317 68.868 -0.482 0.000 0.863 271 T HN -0.137 8.004 8.240 0.032 0.118 0.436 272 F N -0.486 119.214 119.950 -0.416 0.000 2.546 272 F HA -0.251 4.121 4.527 -0.258 0.000 0.298 272 F C 0.980 176.114 175.800 -1.111 0.000 1.120 272 F CA 1.283 59.007 58.000 -0.459 0.000 1.456 272 F CB -0.417 38.398 39.000 -0.309 0.000 1.088 272 F HN -0.818 7.319 8.300 -0.272 0.000 0.572 273 G N -2.565 105.519 108.800 -1.194 0.000 2.416 273 G HA2 -0.432 2.885 3.960 -1.072 0.000 0.301 273 G HA3 -0.432 1.826 3.960 -2.836 0.000 0.301 273 G C -0.281 173.607 174.900 -1.687 0.000 0.985 273 G CA 0.640 44.681 45.100 -1.766 0.000 0.934 273 G HN -0.467 7.121 8.290 -0.831 0.203 0.513 274 T N -6.457 107.610 114.554 -0.813 0.000 3.357 274 T HA -0.468 3.732 4.350 -0.250 0.000 0.422 274 T C -0.583 173.926 174.700 -0.318 0.000 0.768 274 T CA 1.185 63.032 62.100 -0.423 0.000 2.153 274 T CB -1.364 67.356 68.868 -0.247 0.000 1.688 274 T HN -0.691 7.189 8.240 -0.564 0.022 0.659 275 W N -1.845 119.462 121.300 0.012 0.000 4.084 275 W HA 0.195 4.859 4.660 0.006 0.000 0.203 275 W C 0.272 176.795 176.519 0.006 0.000 1.101 275 W CA 0.089 57.437 57.345 0.005 0.000 1.673 275 W CB 0.739 30.193 29.460 -0.010 0.000 0.705 275 W HN -0.408 7.720 8.180 -0.086 0.000 0.897 276 I N -5.729 114.954 120.570 0.189 0.000 3.393 276 I HA -0.222 4.089 4.170 -0.011 -0.148 0.221 276 I C -0.049 176.105 176.117 0.061 0.000 1.310 276 I CA -0.245 61.052 61.300 -0.005 0.000 0.936 276 I CB 0.798 38.695 38.000 -0.171 0.000 1.610 276 I HN -0.729 7.602 8.210 0.201 0.000 0.896 277 Y N -1.227 119.072 120.300 -0.002 0.000 2.139 277 Y HA -0.074 4.480 4.550 0.007 0.000 0.368 277 Y C 1.014 176.886 175.900 -0.048 0.000 1.260 277 Y CA 0.316 58.407 58.100 -0.015 0.000 1.696 277 Y CB -0.062 38.391 38.460 -0.013 0.000 1.439 277 Y HN 0.003 7.916 8.280 -0.611 0.000 0.707 278 S N -1.449 114.345 115.700 0.156 0.000 2.693 278 S HA -0.065 4.420 4.470 0.025 0.000 0.276 278 S C -0.129 174.488 174.600 0.029 0.000 1.192 278 S CA 0.062 58.295 58.200 0.055 0.000 0.994 278 S CB 1.125 64.351 63.200 0.043 0.000 1.012 278 S HN -0.012 8.408 8.310 0.184 0.000 0.550 279 V N -2.309 117.605 119.914 0.001 0.000 2.886 279 V HA -0.396 3.726 4.120 0.002 0.000 0.162 279 V C -0.486 175.575 176.094 -0.055 0.000 0.448 279 V CA 1.067 63.364 62.300 -0.005 0.000 1.186 279 V CB -1.147 30.690 31.823 0.023 0.000 1.373 279 V HN 0.393 8.582 8.190 -0.000 0.000 1.100 280 N N 0.087 118.712 118.700 -0.124 0.000 2.331 280 N HA -0.355 4.249 4.740 -0.227 0.000 0.180 280 N C 1.426 176.755 175.510 -0.301 0.000 1.019 280 N CA 2.076 54.967 53.050 -0.266 0.000 0.881 280 N CB 0.354 38.572 38.487 -0.448 0.000 0.972 280 N HN 0.268 8.522 8.380 -0.105 0.062 0.435 281 K N 0.682 120.956 120.400 -0.209 0.000 1.980 281 K HA -0.468 3.671 4.320 -0.300 0.000 0.223 281 K C 2.013 178.478 176.600 -0.225 0.000 1.052 281 K CA 4.216 60.385 56.287 -0.197 0.000 0.974 281 K CB -0.503 32.000 32.500 0.005 0.000 0.734 281 K HN 0.203 8.339 8.250 -0.149 0.024 0.447 282 E N -3.049 117.148 120.200 -0.004 0.000 2.106 282 E HA -0.382 4.081 4.350 0.189 0.000 0.192 282 E C 2.247 178.819 176.600 -0.047 0.000 0.984 282 E CA 2.735 59.180 56.400 0.075 0.000 0.806 282 E CB -0.766 29.017 29.700 0.139 0.000 0.750 282 E HN -0.020 8.363 8.360 0.040 0.000 0.458 283 Q N 0.737 120.483 119.800 -0.091 0.000 1.967 283 Q HA -0.327 3.949 4.340 -0.108 0.000 0.210 283 Q C 2.430 178.238 176.000 -0.319 0.000 1.005 283 Q CA 2.662 58.368 55.803 -0.161 0.000 0.862 283 Q CB -0.411 28.250 28.738 -0.127 0.000 0.939 283 Q HN -0.622 7.605 8.270 -0.071 0.000 0.417 284 L N -1.615 119.435 121.223 -0.288 0.000 2.027 284 L HA -0.330 3.803 4.340 -0.345 0.000 0.206 284 L C 2.076 178.824 176.870 -0.203 0.000 1.074 284 L CA 2.784 57.478 54.840 -0.243 0.000 0.745 284 L CB -0.470 41.520 42.059 -0.116 0.000 0.898 284 L HN -0.345 7.721 8.230 -0.272 0.000 0.433 285 A N -2.539 120.134 122.820 -0.245 0.000 2.042 285 A HA -0.398 3.832 4.320 -0.151 0.000 0.222 285 A C 2.320 179.895 177.584 -0.015 0.000 1.167 285 A CA 3.122 55.011 52.037 -0.246 0.000 0.649 285 A CB -0.876 17.604 19.000 -0.867 0.000 0.809 285 A HN -0.227 7.732 8.150 -0.318 0.000 0.457 286 R N -4.449 115.998 120.500 -0.087 0.000 2.156 286 R HA 0.027 4.474 4.340 0.179 0.000 0.207 286 R C 0.486 176.512 176.300 -0.458 0.000 1.040 286 R CA 1.334 57.406 56.100 -0.048 0.000 1.013 286 R CB 0.549 30.854 30.300 0.008 0.000 0.931 286 R HN -0.329 7.796 8.270 -0.174 0.040 0.465 287 A N -4.236 118.154 122.820 -0.717 0.000 2.275 287 A HA 0.097 3.650 4.320 -1.278 0.000 0.212 287 A C -0.052 177.019 177.584 -0.854 0.000 1.201 287 A CA -0.130 51.228 52.037 -1.131 0.000 0.843 287 A CB 0.621 18.701 19.000 -1.533 0.000 0.873 287 A HN -0.839 6.863 8.150 -0.569 0.107 0.492 288 G N -2.539 106.025 108.800 -0.393 0.000 2.212 288 G HA2 -0.318 3.917 3.960 0.458 0.000 0.255 288 G HA3 -0.318 3.839 3.960 0.329 0.000 0.255 288 G C -1.555 173.550 174.900 0.342 0.000 1.062 288 G CA 0.093 45.309 45.100 0.193 0.000 0.815 288 G HN 0.042 8.126 8.290 -0.255 0.053 0.497 289 F N 0.179 120.103 119.950 -0.043 0.000 2.458 289 F HA 0.855 5.608 4.527 0.035 -0.204 0.336 289 F C -0.879 175.089 175.800 0.281 0.000 1.114 289 F CA -3.144 54.872 58.000 0.027 0.000 0.987 289 F CB 2.810 41.733 39.000 -0.129 0.000 1.130 289 F HN -0.692 7.581 8.300 0.147 0.115 0.458 290 Y N 1.321 121.696 120.300 0.125 0.000 2.576 290 Y HA 0.351 5.032 4.550 0.218 0.000 0.346 290 Y C -2.800 172.809 175.900 -0.486 0.000 1.018 290 Y CA -3.217 54.838 58.100 -0.075 0.000 1.050 290 Y CB 2.865 41.195 38.460 -0.216 0.000 1.280 290 Y HN 0.867 9.402 8.280 0.425 0.000 0.474 291 A N 1.068 122.829 122.820 -1.765 0.000 2.409 291 A HA 0.123 3.866 4.320 -0.962 0.000 0.267 291 A C -0.892 175.972 177.584 -1.200 0.000 1.127 291 A CA -0.909 50.231 52.037 -1.494 0.000 0.795 291 A CB 0.443 18.410 19.000 -1.723 0.000 1.061 291 A HN 0.182 7.024 8.150 -2.181 0.000 0.502 292 L N 0.981 121.694 121.223 -0.850 0.000 2.307 292 L HA 0.072 3.956 4.340 -0.759 0.000 0.211 292 L C 1.340 178.003 176.870 -0.345 0.000 1.099 292 L CA -0.981 53.490 54.840 -0.615 0.000 0.816 292 L CB -0.085 41.723 42.059 -0.418 0.000 0.952 292 L HN 0.495 8.323 8.230 -0.670 0.000 0.455 293 G N -3.113 105.518 108.800 -0.282 0.000 2.321 293 G HA2 -0.171 3.714 3.960 -0.126 0.000 0.174 293 G HA3 -0.171 3.702 3.960 -0.145 0.000 0.174 293 G C -0.562 174.261 174.900 -0.128 0.000 1.008 293 G CA -0.544 44.458 45.100 -0.163 0.000 0.739 293 G HN -0.160 7.939 8.290 -0.319 0.000 0.502 294 E N -0.110 120.010 120.200 -0.134 0.000 2.280 294 E HA 0.209 4.505 4.350 -0.091 0.000 0.261 294 E C -0.304 176.253 176.600 -0.071 0.000 1.088 294 E CA -0.840 55.501 56.400 -0.097 0.000 0.915 294 E CB 1.160 30.804 29.700 -0.094 0.000 1.141 294 E HN -0.117 8.139 8.360 -0.174 0.000 0.433 295 G N 0.426 109.193 108.800 -0.055 0.000 2.690 295 G HA2 -0.148 3.786 3.960 -0.043 0.000 0.294 295 G HA3 -0.148 3.793 3.960 -0.031 0.000 0.294 295 G C -0.695 174.193 174.900 -0.020 0.000 0.793 295 G CA 0.688 45.766 45.100 -0.035 0.000 1.818 295 G HN 0.335 8.593 8.290 -0.053 0.000 0.515 296 D N 0.273 120.657 120.400 -0.027 0.000 2.704 296 D HA -0.381 4.195 4.640 -0.106 0.000 0.186 296 D C -0.693 175.521 176.300 -0.143 0.000 0.957 296 D CA 1.244 55.164 54.000 -0.133 0.000 1.011 296 D CB -1.012 39.644 40.800 -0.239 0.000 1.064 296 D HN 0.063 8.412 8.370 0.011 0.027 0.453 297 K N -2.226 118.125 120.400 -0.082 0.000 2.234 297 K HA -0.016 4.259 4.320 -0.075 0.000 0.251 297 K C -0.536 175.992 176.600 -0.121 0.000 1.011 297 K CA 0.519 56.748 56.287 -0.096 0.000 0.889 297 K CB 0.505 32.943 32.500 -0.104 0.000 1.011 297 K HN -0.174 7.956 8.250 -0.066 0.080 0.505 298 V N -7.874 111.915 119.914 -0.208 0.000 3.216 298 V HA 0.521 4.578 4.120 -0.288 -0.110 0.302 298 V C -2.183 173.513 176.094 -0.664 0.000 1.286 298 V CA -2.400 59.699 62.300 -0.335 0.000 1.048 298 V CB 4.358 36.065 31.823 -0.194 0.000 1.081 298 V HN -0.403 7.660 8.190 -0.210 0.000 0.442 299 K N -0.761 119.137 120.400 -0.837 0.000 2.579 299 K HA 0.345 4.065 4.320 -1.126 -0.075 0.284 299 K C -2.116 174.072 176.600 -0.687 0.000 0.990 299 K CA -1.116 54.662 56.287 -0.848 0.000 0.880 299 K CB 4.308 36.583 32.500 -0.376 0.000 1.488 299 K HN -0.122 7.741 8.250 -0.646 0.000 0.425 300 C N 0.222 119.274 119.300 -0.414 0.000 2.347 300 C HA 0.852 5.696 4.460 0.289 -0.211 0.353 300 C C 0.564 175.674 174.990 0.200 0.000 1.273 300 C CA -2.361 56.722 59.018 0.109 0.000 1.861 300 C CB -0.967 26.947 27.740 0.290 0.000 2.420 300 C HN 0.823 8.792 8.230 -0.436 0.000 0.542 301 F N 3.967 123.954 119.950 0.060 0.000 2.746 301 F HA 0.062 4.501 4.527 -0.148 0.000 0.297 301 F C -0.166 175.657 175.800 0.039 0.000 1.113 301 F CA 1.427 59.337 58.000 -0.149 0.000 1.367 301 F CB 1.391 39.995 39.000 -0.659 0.000 1.111 301 F HN -0.029 8.503 8.300 0.388 0.000 0.590 302 H N -1.363 117.774 119.070 0.111 0.000 2.582 302 H HA 0.007 4.540 4.556 -0.038 0.000 0.269 302 H C 1.091 176.465 175.328 0.076 0.000 0.962 302 H CA 1.996 58.095 56.048 0.085 0.000 1.230 302 H CB 1.398 31.311 29.762 0.251 0.000 1.445 302 H HN -0.481 8.003 8.280 0.405 0.039 0.528 303 C N -6.059 113.359 119.300 0.197 0.000 2.609 303 C HA 0.111 4.613 4.460 0.071 0.000 0.305 303 C C -0.510 174.504 174.990 0.040 0.000 1.319 303 C CA -0.097 58.998 59.018 0.129 0.000 1.793 303 C CB 1.060 28.950 27.740 0.249 0.000 2.260 303 C HN 0.274 8.658 8.230 0.256 0.000 0.535 304 G N 0.262 109.068 108.800 0.010 0.000 2.356 304 G HA2 -0.301 3.593 3.960 -0.109 0.000 0.233 304 G HA3 -0.301 3.615 3.960 -0.072 0.000 0.233 304 G C -1.306 173.579 174.900 -0.025 0.000 1.105 304 G CA -0.034 45.033 45.100 -0.055 0.000 0.861 304 G HN -0.542 7.773 8.290 0.042 0.000 0.493 305 G N -3.180 105.617 108.800 -0.005 0.000 2.718 305 G HA2 0.270 4.207 3.960 -0.038 0.000 0.295 305 G HA3 0.270 4.251 3.960 0.036 0.000 0.295 305 G C -3.078 171.668 174.900 -0.258 0.000 1.421 305 G CA -0.263 44.806 45.100 -0.051 0.000 0.902 305 G HN -0.712 7.587 8.290 0.016 0.000 0.501 306 G N -0.541 107.985 108.800 -0.456 0.000 2.410 306 G HA2 0.658 4.303 3.960 -0.525 0.000 0.330 306 G HA3 0.658 4.388 3.960 -0.384 0.000 0.330 306 G C -1.378 172.813 174.900 -1.181 0.000 1.142 306 G CA -1.617 43.119 45.100 -0.606 0.000 0.902 306 G HN 0.113 8.209 8.290 -0.323 0.000 0.491 307 L N 1.798 122.497 121.223 -0.874 0.000 2.448 307 L HA 0.395 4.188 4.340 -0.912 0.000 0.257 307 L C -1.608 175.080 176.870 -0.302 0.000 1.504 307 L CA -0.781 53.603 54.840 -0.760 0.000 0.852 307 L CB 1.960 43.650 42.059 -0.616 0.000 1.051 307 L HN -0.072 7.729 8.230 -0.716 0.000 0.518 308 T N -1.066 113.413 114.554 -0.125 0.000 2.813 308 T HA -0.027 4.261 4.350 -0.102 0.000 0.297 308 T C -0.507 174.263 174.700 0.117 0.000 1.036 308 T CA -1.307 60.776 62.100 -0.029 0.000 1.044 308 T CB 0.558 69.421 68.868 -0.009 0.000 0.993 308 T HN -0.376 7.809 8.240 -0.092 0.000 0.535 309 D N -1.092 119.380 120.400 0.120 0.000 2.343 309 D HA -0.199 4.575 4.640 0.223 0.000 0.255 309 D C -1.167 175.330 176.300 0.328 0.000 1.187 309 D CA 0.606 54.728 54.000 0.204 0.000 0.875 309 D CB 0.461 41.360 40.800 0.165 0.000 1.136 309 D HN 0.170 8.575 8.370 0.057 0.000 0.469 310 W N 5.454 126.821 121.300 0.111 0.000 0.890 310 W HA 0.074 4.783 4.660 0.082 0.000 0.201 310 W C -2.155 174.421 176.519 0.095 0.000 0.741 310 W CA -0.204 57.200 57.345 0.098 0.000 1.243 310 W CB 0.965 30.488 29.460 0.106 0.000 0.808 310 W HN 0.311 8.700 8.180 0.348 0.000 0.383 311 K N -0.972 119.453 120.400 0.042 0.000 2.617 311 K HA 0.360 4.558 4.320 -0.204 0.000 0.293 311 K C -2.825 173.783 176.600 0.013 0.000 1.034 311 K CA -2.444 53.799 56.287 -0.072 0.000 0.884 311 K CB 0.400 32.870 32.500 -0.051 0.000 1.541 311 K HN -0.678 7.662 8.250 0.150 0.000 0.409 312 P HA 0.005 4.421 4.420 -0.006 0.000 0.273 312 P C -0.413 176.916 177.300 0.048 0.000 1.237 312 P CA -0.229 62.873 63.100 0.004 0.000 0.813 312 P CB 0.603 32.294 31.700 -0.016 0.000 0.930 313 S N -1.763 113.949 115.700 0.021 0.000 2.422 313 S HA -0.343 4.149 4.470 0.036 0.000 0.241 313 S C -0.156 174.512 174.600 0.113 0.000 1.076 313 S CA 1.955 60.176 58.200 0.035 0.000 1.066 313 S CB 0.068 63.248 63.200 -0.034 0.000 0.890 313 S HN 0.105 8.407 8.310 -0.015 0.000 0.465 314 E N -1.779 118.475 120.200 0.089 0.000 0.704 314 E HA -0.328 4.077 4.350 0.092 0.000 0.351 314 E C -1.403 175.290 176.600 0.155 0.000 0.925 314 E CA 0.445 56.913 56.400 0.114 0.000 1.318 314 E CB -1.313 28.460 29.700 0.121 0.000 0.430 314 E HN -0.154 8.212 8.360 0.055 0.027 0.355 315 D N 3.491 123.980 120.400 0.149 0.000 2.525 315 D HA -0.113 4.621 4.640 0.156 0.000 0.235 315 D C 0.034 176.443 176.300 0.182 0.000 1.137 315 D CA -0.123 53.978 54.000 0.167 0.000 0.868 315 D CB 0.049 40.961 40.800 0.187 0.000 1.180 315 D HN -0.072 8.374 8.370 0.126 0.000 0.465 316 P HA -0.174 4.354 4.420 0.181 0.000 0.218 316 P C 0.956 178.240 177.300 -0.025 0.000 1.146 316 P CA 2.184 65.303 63.100 0.031 0.000 0.820 316 P CB 0.223 31.839 31.700 -0.140 0.000 0.778 317 W N -2.812 118.473 121.300 -0.025 0.000 2.354 317 W HA -0.435 4.202 4.660 -0.039 0.000 0.315 317 W C 1.789 178.394 176.519 0.144 0.000 1.206 317 W CA 3.221 60.589 57.345 0.039 0.000 1.290 317 W CB -0.068 29.442 29.460 0.083 0.000 1.152 317 W HN -0.672 7.678 8.180 0.212 -0.043 0.489 318 E N -1.672 118.786 120.200 0.429 0.000 2.047 318 E HA -0.428 4.059 4.350 0.229 0.000 0.191 318 E C 2.216 178.961 176.600 0.242 0.000 0.987 318 E CA 3.195 59.752 56.400 0.262 0.000 0.799 318 E CB -0.441 29.357 29.700 0.163 0.000 0.752 318 E HN -0.532 8.064 8.360 0.394 0.000 0.449 319 Q N -1.744 118.210 119.800 0.258 0.000 2.096 319 Q HA -0.350 4.143 4.340 0.255 0.000 0.204 319 Q C 2.592 178.842 176.000 0.416 0.000 0.982 319 Q CA 3.163 59.146 55.803 0.300 0.000 0.850 319 Q CB 0.104 29.023 28.738 0.302 0.000 0.901 319 Q HN -0.182 8.237 8.270 0.248 0.000 0.422 320 H N 0.449 119.671 119.070 0.253 0.000 2.299 320 H HA -0.326 4.470 4.556 0.400 0.000 0.302 320 H C 1.448 176.983 175.328 0.344 0.000 1.078 320 H CA 2.393 58.607 56.048 0.277 0.000 1.323 320 H CB 0.090 29.799 29.762 -0.090 0.000 1.381 320 H HN -0.010 8.368 8.280 0.357 0.116 0.498 321 A N -2.646 120.334 122.820 0.267 0.000 1.986 321 A HA -0.264 4.150 4.320 0.157 0.000 0.220 321 A C 0.933 178.622 177.584 0.174 0.000 1.171 321 A CA 2.585 54.752 52.037 0.216 0.000 0.640 321 A CB -0.467 18.700 19.000 0.279 0.000 0.811 321 A HN -0.651 7.724 8.150 0.376 0.000 0.451 322 K N -4.466 116.001 120.400 0.112 0.000 2.167 322 K HA -0.251 3.764 4.320 -0.508 0.000 0.203 322 K C 2.119 178.695 176.600 -0.040 0.000 1.052 322 K CA 2.013 58.211 56.287 -0.149 0.000 0.956 322 K CB 0.089 32.520 32.500 -0.116 0.000 0.735 322 K HN -0.617 7.723 8.250 0.183 0.020 0.451 323 W N -2.725 118.601 121.300 0.042 0.000 2.342 323 W HA -0.298 4.423 4.660 0.101 0.000 0.297 323 W C 0.075 176.692 176.519 0.164 0.000 1.213 323 W CA 2.920 60.347 57.345 0.136 0.000 1.251 323 W CB 0.617 30.257 29.460 0.300 0.000 1.136 323 W HN -0.429 7.893 8.180 0.445 0.125 0.526 324 Y N -5.878 114.601 120.300 0.299 0.000 2.211 324 Y HA -0.022 4.660 4.550 0.221 0.000 0.317 324 Y C -2.470 173.518 175.900 0.147 0.000 1.366 324 Y CA -1.020 57.215 58.100 0.225 0.000 1.379 324 Y CB 0.807 39.426 38.460 0.265 0.000 1.287 324 Y HN -0.665 7.812 8.280 0.354 0.015 0.412 325 P HA 0.060 4.601 4.420 0.201 0.000 0.236 325 P C -0.409 177.020 177.300 0.216 0.000 1.177 325 P CA 0.540 63.782 63.100 0.235 0.000 0.773 325 P CB 0.893 32.690 31.700 0.162 0.000 0.878 326 G N 0.078 109.049 108.800 0.286 0.000 3.581 326 G HA2 -0.016 4.029 3.960 0.141 0.000 0.255 326 G HA3 -0.016 4.035 3.960 0.152 0.000 0.255 326 G C -1.524 173.442 174.900 0.110 0.000 1.121 326 G CA -0.658 44.543 45.100 0.168 0.000 1.739 326 G HN 0.146 8.672 8.290 0.482 0.054 0.646 327 C N 1.959 121.335 119.300 0.127 0.000 2.291 327 C HA 0.160 4.689 4.460 0.116 0.000 0.322 327 C C -0.080 174.995 174.990 0.141 0.000 1.205 327 C CA -0.686 58.412 59.018 0.134 0.000 1.495 327 C CB -0.311 27.519 27.740 0.149 0.000 2.127 327 C HN -0.396 7.825 8.230 0.138 0.092 0.452 328 K N 7.414 127.877 120.400 0.105 0.000 1.976 328 K HA -0.481 3.882 4.320 0.071 0.000 0.233 328 K C 1.203 177.906 176.600 0.170 0.000 1.012 328 K CA 3.929 60.265 56.287 0.082 0.000 1.049 328 K CB -0.282 32.207 32.500 -0.017 0.000 0.722 328 K HN 0.630 8.926 8.250 0.078 0.000 0.465 329 Y N -0.961 119.341 120.300 0.004 0.000 2.062 329 Y HA -0.330 4.266 4.550 0.077 0.000 0.276 329 Y C 2.005 177.990 175.900 0.141 0.000 1.189 329 Y CA 1.140 59.297 58.100 0.096 0.000 1.130 329 Y CB -0.548 38.056 38.460 0.240 0.000 0.959 329 Y HN -0.159 8.217 8.280 0.159 0.000 0.499 330 L N -2.062 119.252 121.223 0.152 0.000 2.034 330 L HA -0.483 3.753 4.340 -0.173 0.000 0.217 330 L C 2.150 179.147 176.870 0.212 0.000 1.077 330 L CA 3.123 58.004 54.840 0.067 0.000 0.769 330 L CB -0.649 41.493 42.059 0.138 0.000 0.890 330 L HN -0.678 7.695 8.230 0.239 0.000 0.435 331 L N -3.221 118.126 121.223 0.207 0.000 2.072 331 L HA -0.275 4.195 4.340 0.217 0.000 0.205 331 L C 2.484 179.472 176.870 0.196 0.000 1.079 331 L CA 2.525 57.483 54.840 0.197 0.000 0.752 331 L CB -1.057 41.094 42.059 0.153 0.000 0.906 331 L HN -0.066 8.275 8.230 0.189 0.003 0.436 332 E N -0.632 119.702 120.200 0.224 0.000 2.273 332 E HA -0.432 4.017 4.350 0.165 0.000 0.198 332 E C 1.768 178.516 176.600 0.245 0.000 1.002 332 E CA 2.774 59.311 56.400 0.228 0.000 0.828 332 E CB -0.130 29.734 29.700 0.274 0.000 0.747 332 E HN -0.391 8.038 8.360 0.237 0.073 0.491 333 Q N -1.422 118.538 119.800 0.267 0.000 2.042 333 Q HA -0.096 4.391 4.340 0.244 0.000 0.194 333 Q C 1.528 177.614 176.000 0.143 0.000 0.978 333 Q CA 1.967 57.917 55.803 0.245 0.000 0.828 333 Q CB 0.704 29.604 28.738 0.270 0.000 0.901 333 Q HN -0.481 7.898 8.270 0.268 0.052 0.461 334 K N -2.965 117.498 120.400 0.106 0.000 2.437 334 K HA 0.287 4.533 4.320 -0.123 0.000 0.205 334 K C -0.271 176.355 176.600 0.044 0.000 1.026 334 K CA -1.115 55.104 56.287 -0.114 0.000 1.153 334 K CB 0.261 32.321 32.500 -0.735 0.000 0.863 334 K HN -0.565 7.846 8.250 0.269 0.000 0.502 335 G N 0.289 109.152 108.800 0.105 0.000 2.914 335 G HA2 -0.471 3.660 3.960 0.115 0.000 0.254 335 G HA3 -0.471 3.541 3.960 0.086 0.000 0.254 335 G C -0.960 174.018 174.900 0.129 0.000 1.449 335 G CA 0.283 45.449 45.100 0.110 0.000 0.925 335 G HN 0.094 8.387 8.290 0.127 0.074 0.555 336 Q N 0.690 120.552 119.800 0.103 0.000 2.369 336 Q HA -0.310 4.100 4.340 0.116 0.000 0.206 336 Q C 1.759 177.804 176.000 0.075 0.000 0.963 336 Q CA 3.633 59.492 55.803 0.093 0.000 0.894 336 Q CB -0.058 28.721 28.738 0.068 0.000 0.965 336 Q HN 0.610 8.933 8.270 0.087 0.000 0.475 337 E N -0.087 120.156 120.200 0.072 0.000 2.110 337 E HA -0.379 3.988 4.350 0.029 0.000 0.193 337 E C 2.000 178.632 176.600 0.054 0.000 0.988 337 E CA 2.600 59.031 56.400 0.051 0.000 0.804 337 E CB -1.009 28.720 29.700 0.048 0.000 0.745 337 E HN -0.038 8.327 8.360 0.075 0.040 0.458 338 Y N 1.264 121.533 120.300 -0.053 0.000 2.153 338 Y HA -0.308 4.177 4.550 -0.109 0.000 0.289 338 Y C 1.494 177.359 175.900 -0.060 0.000 1.119 338 Y CA 3.704 61.740 58.100 -0.107 0.000 1.116 338 Y CB 0.756 39.081 38.460 -0.226 0.000 1.004 338 Y HN -0.768 7.614 8.280 0.184 0.009 0.501 339 I N -2.638 118.018 120.570 0.143 0.000 2.315 339 I HA -0.592 3.648 4.170 0.116 0.000 0.251 339 I C 2.047 178.187 176.117 0.038 0.000 1.125 339 I CA 1.409 62.779 61.300 0.117 0.000 1.392 339 I CB -1.897 36.219 38.000 0.194 0.000 1.065 339 I HN -0.449 7.914 8.210 0.254 0.000 0.424 340 N N -0.536 118.171 118.700 0.011 0.000 2.142 340 N HA -0.326 4.415 4.740 0.002 0.000 0.186 340 N C 2.164 177.649 175.510 -0.041 0.000 1.023 340 N CA 3.316 56.361 53.050 -0.009 0.000 0.852 340 N CB -0.560 37.920 38.487 -0.012 0.000 0.998 340 N HN 0.421 8.689 8.380 0.028 0.128 0.424 341 N N -0.482 118.151 118.700 -0.112 0.000 2.244 341 N HA -0.219 4.469 4.740 -0.087 0.000 0.183 341 N C 0.691 176.096 175.510 -0.175 0.000 1.016 341 N CA 2.192 55.152 53.050 -0.150 0.000 0.866 341 N CB -0.282 38.078 38.487 -0.213 0.000 0.980 341 N HN -0.756 7.451 8.380 -0.126 0.098 0.430 342 I N -1.307 119.115 120.570 -0.247 0.000 2.185 342 I HA -0.393 3.653 4.170 -0.207 0.000 0.235 342 I C 1.698 177.805 176.117 -0.016 0.000 1.069 342 I CA 2.810 63.999 61.300 -0.184 0.000 1.354 342 I CB -0.439 37.434 38.000 -0.212 0.000 1.093 342 I HN 0.007 7.927 8.210 -0.293 0.115 0.411 343 H N -0.450 118.589 119.070 -0.050 0.000 2.292 343 H HA -0.397 4.161 4.556 0.002 0.000 0.292 343 H C 1.783 177.095 175.328 -0.028 0.000 1.100 343 H CA 3.296 59.333 56.048 -0.019 0.000 1.238 343 H CB 0.512 30.267 29.762 -0.012 0.000 1.355 343 H HN -0.196 8.155 8.280 0.118 0.000 0.484 344 L N -4.370 116.963 121.223 0.184 0.000 1.882 344 L HA -0.215 4.214 4.340 0.149 0.000 0.222 344 L C -0.447 176.458 176.870 0.060 0.000 1.095 344 L CA 2.520 57.422 54.840 0.103 0.000 0.794 344 L CB 0.421 42.497 42.059 0.028 0.000 0.886 344 L HN -0.559 7.751 8.230 0.133 0.000 0.429 345 T N -11.145 103.427 114.554 0.030 0.000 2.612 345 T HA 0.004 4.382 4.350 0.046 0.000 0.275 345 T C -1.054 173.687 174.700 0.067 0.000 1.987 345 T CA -0.672 61.460 62.100 0.054 0.000 0.951 345 T CB 0.540 69.455 68.868 0.079 0.000 2.138 345 T HN -0.887 7.360 8.240 0.011 0.000 0.454 346 H N -1.179 117.869 119.070 -0.037 0.000 2.525 346 H HA 0.173 4.702 4.556 -0.045 0.000 0.275 346 H C -0.216 175.096 175.328 -0.027 0.000 0.984 346 H CA 1.732 57.758 56.048 -0.037 0.000 1.264 346 H CB 0.631 30.373 29.762 -0.034 0.000 1.432 346 H HN 0.210 8.695 8.280 0.341 0.000 0.549 347 S N -6.596 108.817 115.700 -0.477 0.000 1.408 347 S HA -0.098 4.213 4.470 -0.264 0.000 0.144 347 S C 0.120 174.590 174.600 -0.217 0.000 0.577 347 S CA 0.528 58.451 58.200 -0.461 0.000 1.608 347 S CB 0.387 63.151 63.200 -0.727 0.000 0.879 347 S HN -0.402 7.830 8.310 -0.082 0.028 0.302 348 L N 2.590 123.768 121.223 -0.074 0.000 1.929 348 L HA -0.294 4.064 4.340 0.030 0.000 0.229 348 L C 0.444 177.321 176.870 0.012 0.000 1.086 348 L CA 2.288 57.156 54.840 0.047 0.000 0.798 348 L CB 0.515 42.660 42.059 0.144 0.000 0.898 348 L HN -0.748 7.479 8.230 -0.004 0.000 0.436 349 E N -8.520 111.697 120.200 0.029 0.000 2.450 349 E HA -0.396 3.968 4.350 0.023 0.000 0.244 349 E C -1.234 175.370 176.600 0.007 0.000 1.226 349 E CA 1.203 57.613 56.400 0.015 0.000 0.720 349 E CB -1.212 28.490 29.700 0.003 0.000 1.254 349 E HN 0.468 8.863 8.360 0.057 0.000 0.399 350 E N -3.747 116.459 120.200 0.010 0.000 2.434 350 E HA -0.068 4.283 4.350 0.001 0.000 0.207 350 E C -0.449 176.154 176.600 0.005 0.000 0.929 350 E CA -0.125 56.278 56.400 0.005 0.000 1.001 350 E CB 0.422 30.124 29.700 0.004 0.000 1.016 350 E HN -0.023 8.311 8.360 0.019 0.037 0.502 351 C N 1.720 121.024 119.300 0.007 0.000 2.767 351 C HA -0.333 4.128 4.460 0.001 0.000 0.283 351 C C 0.098 175.088 174.990 0.001 0.000 0.945 351 C CA -0.100 58.919 59.018 0.002 0.000 2.713 351 C CB -2.012 25.728 27.740 -0.000 0.000 1.596 351 C HN 0.261 8.499 8.230 0.012 0.000 0.419 352 L N -2.307 118.916 121.223 0.001 0.000 2.462 352 L HA -0.369 3.969 4.340 -0.002 0.000 0.444 352 L C -1.291 175.581 176.870 0.003 0.000 0.704 352 L CA 2.493 57.333 54.840 -0.001 0.000 3.285 352 L CB -0.715 41.342 42.059 -0.003 0.000 0.573 352 L HN 0.568 8.791 8.230 0.002 0.009 0.787 353 V N -4.571 115.345 119.914 0.003 0.000 4.797 353 V HA -0.225 3.973 4.120 0.007 -0.074 0.159 353 V C 0.666 176.761 176.094 0.001 0.000 1.398 353 V CA 0.571 62.873 62.300 0.004 0.000 0.754 353 V CB 1.174 32.998 31.823 0.003 0.000 0.850 353 V HN -0.531 7.500 8.190 0.003 0.161 0.621 354 R N -1.390 119.110 120.500 0.000 0.000 2.921 354 R HA -0.309 4.031 4.340 -0.001 0.000 0.193 354 R C -0.041 176.258 176.300 -0.002 0.000 0.860 354 R CA 2.712 58.811 56.100 -0.001 0.000 1.474 354 R CB -1.071 29.229 30.300 -0.001 0.000 0.643 354 R HN 0.339 8.609 8.270 0.000 0.000 0.634 355 T N -3.439 111.113 114.554 -0.003 0.000 4.003 355 T HA 0.320 4.668 4.350 -0.003 0.000 0.239 355 T C -0.511 174.186 174.700 -0.006 0.000 0.992 355 T CA -0.067 62.031 62.100 -0.004 0.000 1.317 355 T CB 0.968 69.833 68.868 -0.005 0.000 0.940 355 T HN -0.096 8.134 8.240 -0.003 0.008 0.593 356 T N 0.000 114.551 114.554 -0.005 0.000 3.816 356 T HA 0.000 4.344 4.350 -0.010 0.000 0.228 356 T CA 0.000 62.096 62.100 -0.007 0.000 1.349 356 T CB 0.000 68.865 68.868 -0.005 0.000 0.612 356 T HN 0.000 8.239 8.240 -0.002 0.000 0.658