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 1mfa_1_H DATA FIRST_RESID 251 DATA SEQUENCE EVQVQQSGTV VARPGASVKM ScKASGYTFT NYWMHWIKQR PGQGLEWIGA DATA SEQUENCE IYPGNSATFY NHKFRAKTKL TAVTSTTTAY MELSSLTSED SAVYYcTRGG DATA SEQUENCE HGYYGDYWGQ GASLTVS 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 251 E HA 0.000 nan 4.350 nan 0.000 0.291 251 E C 0.000 176.564 176.600 -0.059 0.000 1.382 251 E CA 0.000 56.380 56.400 -0.033 0.000 0.976 251 E CB 0.000 nan 29.700 nan 0.000 0.812 252 V N 3.209 123.038 119.914 -0.143 0.000 2.529 252 V HA 0.445 4.565 4.120 -0.000 0.000 0.292 252 V C -0.095 175.907 176.094 -0.153 0.000 1.028 252 V CA 0.385 62.561 62.300 -0.206 0.000 1.074 252 V CB 0.992 32.389 31.823 -0.709 0.000 0.958 252 V HN 0.536 nan 8.190 nan 0.000 0.481 253 Q N 3.516 123.301 119.800 -0.024 0.000 2.305 253 Q HA 0.496 4.836 4.340 -0.000 0.000 0.271 253 Q C -1.552 174.484 176.000 0.060 0.000 1.046 253 Q CA -0.528 55.282 55.803 0.011 0.000 0.798 253 Q CB 2.803 31.534 28.738 -0.012 0.000 1.286 253 Q HN 0.528 nan 8.270 nan 0.000 0.435 254 V N 3.499 123.461 119.914 0.081 0.000 2.349 254 V HA 0.252 4.372 4.120 -0.000 0.000 0.284 254 V C -0.772 175.346 176.094 0.040 0.000 1.014 254 V CA -0.675 61.670 62.300 0.075 0.000 0.826 254 V CB 1.534 33.421 31.823 0.106 0.000 1.009 254 V HN 0.660 nan 8.190 nan 0.000 0.431 255 Q N 4.069 123.869 119.800 -0.001 0.000 2.331 255 Q HA 0.508 4.848 4.340 -0.000 0.000 0.257 255 Q C -0.439 175.552 176.000 -0.015 0.000 0.957 255 Q CA -0.130 55.671 55.803 -0.004 0.000 0.923 255 Q CB 1.605 30.330 28.738 -0.022 0.000 1.212 255 Q HN 0.648 nan 8.270 nan 0.000 0.443 256 Q N 0.927 120.730 119.800 0.005 0.000 2.214 256 Q HA 0.403 4.742 4.340 -0.000 0.000 0.251 256 Q C -0.028 175.985 176.000 0.021 0.000 0.936 256 Q CA -0.630 55.179 55.803 0.010 0.000 0.894 256 Q CB 1.462 30.215 28.738 0.024 0.000 1.252 256 Q HN 0.777 nan 8.270 nan 0.000 0.448 257 S N 0.162 115.885 115.700 0.037 0.000 2.612 257 S HA 0.336 4.806 4.470 -0.000 0.000 0.253 257 S C 0.526 175.150 174.600 0.039 0.000 1.346 257 S CA -0.430 57.792 58.200 0.038 0.000 0.976 257 S CB 0.396 63.628 63.200 0.053 0.000 0.949 257 S HN 0.711 nan 8.310 nan 0.000 0.584 258 G N -0.536 108.283 108.800 0.033 0.000 2.531 258 G HA2 0.500 4.460 3.960 -0.000 0.000 0.281 258 G HA3 0.500 4.460 3.960 -0.000 0.000 0.281 258 G C -0.383 174.536 174.900 0.031 0.000 1.382 258 G CA -0.816 44.301 45.100 0.029 0.000 1.045 258 G HN 0.777 nan 8.290 nan 0.000 0.533 259 T N -0.315 114.256 114.554 0.028 0.000 2.940 259 T HA 0.360 4.710 4.350 -0.000 0.000 0.309 259 T C -0.072 174.643 174.700 0.026 0.000 1.056 259 T CA 0.203 62.321 62.100 0.030 0.000 1.137 259 T CB 1.049 69.934 68.868 0.028 0.000 0.976 259 T HN 0.277 nan 8.240 nan 0.000 0.547 260 V N 3.510 123.440 119.914 0.026 0.000 2.588 260 V HA 0.497 4.617 4.120 -0.000 0.000 0.304 260 V C -0.293 175.813 176.094 0.020 0.000 1.042 260 V CA -0.784 61.525 62.300 0.015 0.000 0.877 260 V CB 2.167 33.989 31.823 -0.001 0.000 0.996 260 V HN 0.669 nan 8.190 nan 0.000 0.425 261 V N 3.476 123.399 119.914 0.015 0.000 2.495 261 V HA 0.952 5.072 4.120 -0.000 0.000 0.298 261 V C 0.152 176.252 176.094 0.010 0.000 1.031 261 V CA -0.152 62.159 62.300 0.017 0.000 0.871 261 V CB 1.629 33.462 31.823 0.017 0.000 0.988 261 V HN 1.111 nan 8.190 nan 0.000 0.432 262 A N 5.138 127.964 122.820 0.010 0.000 2.566 262 A HA 0.872 5.192 4.320 -0.000 0.000 0.292 262 A C -0.743 176.846 177.584 0.008 0.000 1.112 262 A CA -0.906 51.133 52.037 0.004 0.000 0.707 262 A CB 1.740 20.737 19.000 -0.005 0.000 1.302 262 A HN 0.727 nan 8.150 nan 0.000 0.409 263 R N 0.328 120.831 120.500 0.004 0.000 2.536 263 R HA 0.490 4.830 4.340 -0.000 0.000 0.279 263 R C -2.581 173.723 176.300 0.006 0.000 1.001 263 R CA -1.743 54.361 56.100 0.006 0.000 1.027 263 R CB 0.716 31.018 30.300 0.004 0.000 1.096 263 R HN 0.418 nan 8.270 nan 0.000 0.502 264 P HA -0.088 nan 4.420 nan 0.000 0.263 264 P C 0.441 177.743 177.300 0.004 0.000 1.175 264 P CA 1.209 64.315 63.100 0.010 0.000 0.761 264 P CB 0.485 32.192 31.700 0.012 0.000 0.794 265 G N 1.185 109.987 108.800 0.003 0.000 2.205 265 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.261 265 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.261 265 G C 0.528 175.423 174.900 -0.008 0.000 0.980 265 G CA 0.123 45.222 45.100 -0.002 0.000 0.632 265 G HN 0.853 nan 8.290 nan 0.000 0.533 266 A N -0.463 122.352 122.820 -0.008 0.000 2.249 266 A HA 0.846 5.166 4.320 -0.000 0.000 0.281 266 A C 0.702 178.272 177.584 -0.023 0.000 1.127 266 A CA 0.912 52.940 52.037 -0.015 0.000 0.833 266 A CB 0.987 19.979 19.000 -0.014 0.000 1.140 266 A HN 1.522 nan 8.150 nan 0.000 0.502 267 S N -1.558 114.124 115.700 -0.031 0.000 2.513 267 S HA 0.646 5.116 4.470 -0.000 0.000 0.299 267 S C -0.746 173.822 174.600 -0.054 0.000 1.087 267 S CA -0.038 58.135 58.200 -0.045 0.000 1.012 267 S CB 0.916 64.090 63.200 -0.043 0.000 1.044 267 S HN 1.782 nan 8.310 nan 0.000 0.485 268 V N 1.958 121.826 119.914 -0.077 0.000 3.040 268 V HA 0.769 4.889 4.120 -0.000 0.000 0.312 268 V C -0.966 175.068 176.094 -0.101 0.000 1.115 268 V CA -1.012 61.240 62.300 -0.080 0.000 0.998 268 V CB 1.789 33.558 31.823 -0.091 0.000 1.042 268 V HN 0.893 nan 8.190 nan 0.000 0.433 269 K N 2.838 123.197 120.400 -0.069 0.000 2.426 269 K HA 0.766 5.086 4.320 -0.000 0.000 0.254 269 K C -1.094 175.499 176.600 -0.011 0.000 0.936 269 K CA -0.738 55.518 56.287 -0.052 0.000 0.801 269 K CB 1.962 34.453 32.500 -0.015 0.000 1.139 269 K HN 0.916 nan 8.250 nan 0.000 0.424 270 M N 1.852 121.424 119.600 -0.046 0.000 2.664 270 M HA 0.403 4.883 4.480 -0.000 0.000 0.314 270 M C -0.523 175.878 176.300 0.168 0.000 1.200 270 M CA -0.844 54.479 55.300 0.038 0.000 0.916 270 M CB 2.213 34.809 32.600 -0.007 0.000 1.717 270 M HN 0.764 nan 8.290 nan 0.000 0.470 271 S N -0.033 115.786 115.700 0.198 0.000 2.618 271 S HA 0.781 5.251 4.470 -0.000 0.000 0.277 271 S C -1.394 173.254 174.600 0.080 0.000 1.138 271 S CA -0.835 57.397 58.200 0.053 0.000 0.844 271 S CB 1.918 64.941 63.200 -0.295 0.000 1.127 271 S HN 0.814 nan 8.310 nan 0.000 0.474 272 c N 1.367 119.939 118.600 -0.047 0.000 2.446 272 c HA 0.660 5.230 4.570 -0.000 0.000 0.329 272 c C -0.315 173.696 174.090 -0.132 0.000 1.166 272 c CA -0.714 55.560 56.329 -0.092 0.000 1.341 272 c CB 0.987 43.388 42.510 -0.182 0.000 1.970 272 c HN 0.993 nan 8.230 nan 0.000 0.452 273 K N 2.430 122.753 120.400 -0.129 0.000 2.183 273 K HA 0.730 5.050 4.320 -0.000 0.000 0.274 273 K C -0.276 176.234 176.600 -0.151 0.000 1.009 273 K CA -0.072 56.108 56.287 -0.179 0.000 0.888 273 K CB 1.103 33.508 32.500 -0.159 0.000 1.078 273 K HN 0.840 nan 8.250 nan 0.000 0.459 274 A N 2.660 125.339 122.820 -0.236 0.000 2.305 274 A HA 0.532 4.852 4.320 -0.000 0.000 0.322 274 A C -0.757 176.604 177.584 -0.372 0.000 1.187 274 A CA -0.530 51.367 52.037 -0.234 0.000 0.825 274 A CB 0.807 19.668 19.000 -0.233 0.000 1.164 274 A HN 0.792 nan 8.150 nan 0.000 0.498 275 S N 0.534 116.055 115.700 -0.299 0.000 2.588 275 S HA 0.760 5.230 4.470 -0.000 0.000 0.275 275 S C 0.386 174.874 174.600 -0.187 0.000 1.130 275 S CA 0.033 58.070 58.200 -0.272 0.000 0.855 275 S CB 1.359 64.466 63.200 -0.156 0.000 1.116 275 S HN 2.574 nan 8.310 nan 0.000 0.472 276 G N 0.135 108.854 108.800 -0.135 0.000 2.157 276 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.239 276 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.239 276 G C -0.330 174.634 174.900 0.106 0.000 0.982 276 G CA 0.651 45.742 45.100 -0.015 0.000 0.650 276 G HN 2.100 nan 8.290 nan 0.000 0.527 277 Y N -2.650 117.625 120.300 -0.041 0.000 2.677 277 Y HA 0.676 5.226 4.550 0.000 0.000 0.334 277 Y C -0.100 175.860 175.900 0.100 0.000 1.196 277 Y CA -0.968 57.139 58.100 0.013 0.000 1.059 277 Y CB 0.264 38.655 38.460 -0.116 0.000 1.315 277 Y HN 0.155 nan 8.280 nan 0.000 0.455 278 T N 3.610 118.384 114.554 0.365 0.000 2.738 278 T HA 0.059 4.409 4.350 -0.000 0.000 0.293 278 T C 0.523 175.481 174.700 0.430 0.000 0.913 278 T CA -0.064 62.206 62.100 0.282 0.000 1.103 278 T CB -0.033 68.983 68.868 0.246 0.000 0.880 278 T HN 0.640 nan 8.240 nan 0.000 0.526 279 F N 3.879 123.842 119.950 0.022 0.000 2.154 279 F HA -0.162 4.365 4.527 0.001 0.000 0.301 279 F C 2.446 178.295 175.800 0.081 0.000 1.087 279 F CA 1.796 59.809 58.000 0.021 0.000 1.274 279 F CB -0.529 38.398 39.000 -0.121 0.000 1.009 279 F HN 0.604 nan 8.300 nan 0.000 0.485 280 T N -3.386 111.177 114.554 0.015 0.000 3.169 280 T HA 0.067 4.417 4.350 -0.000 0.000 0.250 280 T C 1.002 175.605 174.700 -0.162 0.000 1.111 280 T CA 0.577 62.524 62.100 -0.255 0.000 1.010 280 T CB -0.896 67.873 68.868 -0.165 0.000 0.984 280 T HN 0.374 nan 8.240 nan 0.000 0.537 281 N N -0.315 118.435 118.700 0.083 0.000 2.203 281 N HA 0.270 5.010 4.740 -0.000 0.000 0.207 281 N C -1.160 174.291 175.510 -0.098 0.000 1.130 281 N CA -0.303 52.772 53.050 0.041 0.000 0.861 281 N CB 0.496 38.970 38.487 -0.023 0.000 1.005 281 N HN 0.369 nan 8.380 nan 0.000 0.507 282 Y N -1.283 119.106 120.300 0.149 0.000 2.581 282 Y HA 0.391 4.941 4.550 0.000 0.000 0.345 282 Y C -0.890 175.073 175.900 0.105 0.000 1.036 282 Y CA -1.252 56.949 58.100 0.169 0.000 1.042 282 Y CB 0.814 39.357 38.460 0.139 0.000 1.289 282 Y HN -0.078 nan 8.280 nan 0.000 0.471 283 W N 2.108 123.584 121.300 0.292 0.000 2.375 283 W HA 0.609 5.269 4.660 -0.000 0.000 0.336 283 W C -0.348 176.245 176.519 0.124 0.000 1.160 283 W CA -0.513 56.943 57.345 0.185 0.000 1.266 283 W CB 0.963 30.496 29.460 0.121 0.000 1.195 283 W HN 0.240 nan 8.180 nan 0.000 0.599 284 M N 3.233 122.980 119.600 0.245 0.000 2.181 284 M HA 0.329 4.809 4.480 -0.000 0.000 0.323 284 M C -0.970 175.382 176.300 0.087 0.000 1.004 284 M CA -0.175 55.214 55.300 0.149 0.000 0.941 284 M CB 0.657 33.306 32.600 0.081 0.000 1.579 284 M HN 0.373 nan 8.290 nan 0.000 0.427 285 H N 2.533 121.638 119.070 0.058 0.000 2.567 285 H HA 0.420 4.976 4.556 -0.000 0.000 0.345 285 H C -1.513 173.731 175.328 -0.139 0.000 1.169 285 H CA -0.220 55.896 56.048 0.113 0.000 1.227 285 H CB 1.306 31.219 29.762 0.251 0.000 1.607 285 H HN 0.716 nan 8.280 nan 0.000 0.534 286 W N 1.933 123.254 121.300 0.036 0.000 2.600 286 W HA 0.370 5.030 4.660 -0.001 0.000 0.325 286 W C -0.811 175.687 176.519 -0.035 0.000 1.034 286 W CA -0.383 56.959 57.345 -0.005 0.000 1.226 286 W CB 1.180 30.597 29.460 -0.072 0.000 1.379 286 W HN 0.230 nan 8.180 nan 0.000 0.466 287 I N 3.375 124.088 120.570 0.238 0.000 2.474 287 I HA 0.329 4.499 4.170 -0.000 0.000 0.294 287 I C -0.213 176.035 176.117 0.217 0.000 1.005 287 I CA -1.591 59.819 61.300 0.183 0.000 1.113 287 I CB 1.713 39.782 38.000 0.114 0.000 1.289 287 I HN 0.366 nan 8.210 nan 0.000 0.436 288 K N 5.586 126.018 120.400 0.054 0.000 2.206 288 K HA 0.408 4.728 4.320 -0.000 0.000 0.264 288 K C -0.776 175.813 176.600 -0.019 0.000 0.967 288 K CA -0.472 55.700 56.287 -0.191 0.000 0.844 288 K CB 1.567 33.900 32.500 -0.278 0.000 1.099 288 K HN 0.692 nan 8.250 nan 0.000 0.441 289 Q N 4.485 124.282 119.800 -0.005 0.000 2.327 289 Q HA 0.245 4.585 4.340 -0.000 0.000 0.270 289 Q C -1.479 174.535 176.000 0.023 0.000 1.022 289 Q CA -0.764 55.099 55.803 0.100 0.000 0.773 289 Q CB 1.453 30.360 28.738 0.281 0.000 1.251 289 Q HN 0.569 nan 8.270 nan 0.000 0.457 290 R N 4.890 125.408 120.500 0.030 0.000 2.445 290 R HA 0.503 4.843 4.340 -0.000 0.000 0.308 290 R C -2.414 173.912 176.300 0.043 0.000 0.961 290 R CA -2.006 54.111 56.100 0.028 0.000 0.862 290 R CB 1.197 31.517 30.300 0.035 0.000 1.144 290 R HN 0.446 nan 8.270 nan 0.000 0.447 291 P HA -0.004 nan 4.420 nan 0.000 0.263 291 P C 0.368 177.689 177.300 0.035 0.000 1.195 291 P CA 1.145 64.269 63.100 0.040 0.000 0.762 291 P CB 1.165 32.888 31.700 0.037 0.000 0.799 292 G N 3.763 112.582 108.800 0.032 0.000 4.365 292 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.214 292 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.214 292 G C 1.235 176.154 174.900 0.032 0.000 1.450 292 G CA 0.091 45.208 45.100 0.028 0.000 0.937 292 G HN 0.461 nan 8.290 nan 0.000 0.625 293 Q N 2.075 121.898 119.800 0.039 0.000 2.248 293 Q HA 0.152 4.492 4.340 -0.000 0.000 0.208 293 Q C 1.923 177.953 176.000 0.049 0.000 0.984 293 Q CA 2.468 58.299 55.803 0.046 0.000 0.875 293 Q CB -0.575 28.196 28.738 0.055 0.000 0.910 293 Q HN 2.046 nan 8.270 nan 0.000 0.433 294 G N -0.045 108.784 108.800 0.048 0.000 2.542 294 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.235 294 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.235 294 G C -0.639 174.302 174.900 0.068 0.000 1.286 294 G CA -0.256 44.874 45.100 0.050 0.000 0.904 294 G HN 0.227 nan 8.290 nan 0.000 0.577 295 L N 0.590 121.858 121.223 0.075 0.000 2.334 295 L HA 0.750 5.090 4.340 -0.000 0.000 0.275 295 L C 0.319 177.256 176.870 0.112 0.000 1.036 295 L CA -0.613 54.287 54.840 0.099 0.000 0.807 295 L CB 1.724 43.849 42.059 0.111 0.000 1.231 295 L HN 0.654 nan 8.230 nan 0.000 0.438 296 E N 1.071 121.353 120.200 0.135 0.000 2.275 296 E HA 0.158 4.508 4.350 -0.000 0.000 0.270 296 E C -1.820 174.907 176.600 0.212 0.000 0.882 296 E CA -0.710 55.809 56.400 0.197 0.000 0.758 296 E CB 2.653 32.513 29.700 0.267 0.000 1.195 296 E HN 0.446 nan 8.360 nan 0.000 0.419 297 W N 4.872 126.194 121.300 0.037 0.000 2.287 297 W HA 0.308 4.969 4.660 0.000 0.000 0.313 297 W C -0.171 176.393 176.519 0.076 0.000 1.267 297 W CA -0.083 57.266 57.345 0.008 0.000 1.201 297 W CB 0.462 29.887 29.460 -0.058 0.000 1.196 297 W HN 0.640 nan 8.180 nan 0.000 0.536 298 I N 4.392 124.676 120.570 -0.476 0.000 2.556 298 I HA 0.361 4.531 4.170 -0.000 0.000 0.251 298 I C 1.389 176.954 176.117 -0.919 0.000 1.105 298 I CA 0.973 61.899 61.300 -0.623 0.000 1.436 298 I CB -0.281 37.409 38.000 -0.516 0.000 1.139 298 I HN 0.606 nan 8.210 nan 0.000 0.438 299 G N -0.059 107.930 108.800 -1.352 0.000 2.315 299 G HA2 0.641 4.601 3.960 -0.000 0.000 0.294 299 G HA3 0.641 4.601 3.960 -0.000 0.000 0.294 299 G C -2.121 172.458 174.900 -0.534 0.000 1.300 299 G CA 0.054 44.433 45.100 -1.201 0.000 0.843 299 G HN 0.283 nan 8.290 nan 0.000 0.527 300 A N -0.800 121.905 122.820 -0.192 0.000 2.574 300 A HA 0.857 5.177 4.320 -0.000 0.000 0.297 300 A C -1.472 176.246 177.584 0.223 0.000 1.062 300 A CA -0.393 51.651 52.037 0.012 0.000 0.686 300 A CB 1.698 20.591 19.000 -0.179 0.000 1.285 300 A HN 1.838 nan 8.150 nan 0.000 0.403 301 I N 0.496 121.241 120.570 0.292 0.000 2.647 301 I HA 0.594 4.764 4.170 -0.000 0.000 0.295 301 I C -1.878 174.278 176.117 0.065 0.000 1.078 301 I CA -0.845 60.581 61.300 0.211 0.000 1.048 301 I CB 1.933 39.988 38.000 0.091 0.000 1.239 301 I HN 0.746 nan 8.210 nan 0.000 0.421 302 Y N 9.334 129.339 120.300 -0.490 0.000 2.417 302 Y HA 0.531 5.081 4.550 0.000 0.000 0.336 302 Y C -2.256 173.338 175.900 -0.510 0.000 0.961 302 Y CA -2.575 54.965 58.100 -0.935 0.000 1.215 302 Y CB 1.140 38.617 38.460 -1.639 0.000 1.120 302 Y HN 0.425 nan 8.280 nan 0.000 0.499 303 P HA -0.109 nan 4.420 nan 0.000 0.219 303 P C 1.556 178.445 177.300 -0.686 0.000 1.146 303 P CA 1.991 64.690 63.100 -0.668 0.000 0.808 303 P CB 0.296 31.412 31.700 -0.973 0.000 0.779 304 G N 0.680 108.736 108.800 -1.240 0.000 2.440 304 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 304 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 304 G C 1.063 175.752 174.900 -0.352 0.000 1.154 304 G CA 1.302 45.901 45.100 -0.836 0.000 0.767 304 G HN 0.413 nan 8.290 nan 0.000 0.552 305 N N -2.706 115.850 118.700 -0.241 0.000 2.167 305 N HA 0.116 4.856 4.740 -0.000 0.000 0.234 305 N C 0.502 175.990 175.510 -0.037 0.000 1.312 305 N CA 0.493 53.518 53.050 -0.042 0.000 0.861 305 N CB 0.305 38.837 38.487 0.076 0.000 1.217 305 N HN 0.001 nan 8.380 nan 0.000 0.504 306 S N -1.290 114.349 115.700 -0.101 0.000 3.476 306 S HA -0.186 4.284 4.470 -0.000 0.000 0.309 306 S C 0.460 175.054 174.600 -0.010 0.000 1.222 306 S CA 0.605 58.771 58.200 -0.056 0.000 0.922 306 S CB -2.049 61.140 63.200 -0.019 0.000 1.023 306 S HN 0.973 nan 8.310 nan 0.000 0.591 307 A N 1.586 124.411 122.820 0.008 0.000 2.477 307 A HA 0.543 4.863 4.320 -0.000 0.000 0.246 307 A C 0.769 178.413 177.584 0.099 0.000 1.078 307 A CA 0.739 52.801 52.037 0.041 0.000 0.770 307 A CB 0.261 19.319 19.000 0.097 0.000 1.011 307 A HN 0.883 nan 8.150 nan 0.000 0.494 308 T N -0.853 113.721 114.554 0.033 0.000 2.907 308 T HA 0.757 5.107 4.350 -0.000 0.000 0.292 308 T C -0.800 173.817 174.700 -0.138 0.000 1.043 308 T CA -0.500 61.623 62.100 0.039 0.000 1.003 308 T CB 1.067 69.921 68.868 -0.022 0.000 1.084 308 T HN 0.317 nan 8.240 nan 0.000 0.483 309 F N 1.039 121.051 119.950 0.105 0.000 2.539 309 F HA 0.601 5.128 4.527 -0.000 0.000 0.318 309 F C -0.891 174.891 175.800 -0.030 0.000 1.135 309 F CA -0.949 57.168 58.000 0.195 0.000 0.915 309 F CB 1.837 41.034 39.000 0.327 0.000 1.176 309 F HN 0.587 nan 8.300 nan 0.000 0.440 310 Y N 1.381 121.843 120.300 0.270 0.000 2.487 310 Y HA 0.305 4.855 4.550 -0.000 0.000 0.337 310 Y C 0.303 176.320 175.900 0.195 0.000 1.076 310 Y CA -1.063 57.082 58.100 0.075 0.000 1.115 310 Y CB 1.186 39.693 38.460 0.078 0.000 1.235 310 Y HN 0.468 nan 8.280 nan 0.000 0.468 311 N N 2.138 120.981 118.700 0.238 0.000 2.497 311 N HA -0.084 4.656 4.740 -0.000 0.000 0.268 311 N C 1.215 176.964 175.510 0.398 0.000 1.171 311 N CA 0.224 53.560 53.050 0.476 0.000 0.948 311 N CB 0.466 39.277 38.487 0.539 0.000 1.069 311 N HN 0.911 nan 8.380 nan 0.000 0.460 312 H N 4.203 123.426 119.070 0.255 0.000 2.422 312 H HA -0.071 4.485 4.556 0.000 0.000 0.298 312 H C 0.593 175.943 175.328 0.038 0.000 1.098 312 H CA 1.418 57.548 56.048 0.137 0.000 1.315 312 H CB 0.180 30.005 29.762 0.104 0.000 1.382 312 H HN 0.551 nan 8.280 nan 0.000 0.523 313 K N -0.213 119.824 120.400 -0.605 0.000 2.209 313 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 313 K C 1.046 177.285 176.600 -0.603 0.000 1.048 313 K CA 1.407 57.241 56.287 -0.755 0.000 0.940 313 K CB 0.009 31.959 32.500 -0.917 0.000 0.729 313 K HN 0.275 nan 8.250 nan 0.000 0.451 314 F N -0.634 119.285 119.950 -0.052 0.000 2.682 314 F HA 0.155 4.682 4.527 0.000 0.000 0.308 314 F C 2.448 178.226 175.800 -0.036 0.000 1.093 314 F CA -0.018 57.971 58.000 -0.017 0.000 1.244 314 F CB -0.261 38.753 39.000 0.024 0.000 1.052 314 F HN -0.126 nan 8.300 nan 0.000 0.573 315 R N 1.012 121.555 120.500 0.072 0.000 2.103 315 R HA -0.102 4.238 4.340 -0.000 0.000 0.242 315 R C 2.277 178.460 176.300 -0.196 0.000 1.142 315 R CA 1.836 57.858 56.100 -0.130 0.000 0.960 315 R CB -1.737 28.506 30.300 -0.094 0.000 0.858 315 R HN 0.344 nan 8.270 nan 0.000 0.439 316 A N 1.590 124.349 122.820 -0.102 0.000 1.930 316 A HA -0.060 4.260 4.320 -0.000 0.000 0.215 316 A C 2.225 179.765 177.584 -0.074 0.000 1.176 316 A CA 1.716 53.695 52.037 -0.096 0.000 0.632 316 A CB -0.133 18.828 19.000 -0.065 0.000 0.819 316 A HN 0.710 nan 8.150 nan 0.000 0.445 317 K N -1.013 119.372 120.400 -0.026 0.000 2.444 317 K HA 0.131 4.451 4.320 -0.000 0.000 0.193 317 K C -0.348 176.252 176.600 0.001 0.000 1.024 317 K CA 0.693 56.979 56.287 -0.001 0.000 1.077 317 K CB 0.077 32.602 32.500 0.041 0.000 0.833 317 K HN 0.188 nan 8.250 nan 0.000 0.517 318 T N 0.985 115.543 114.554 0.005 0.000 2.855 318 T HA 0.303 4.653 4.350 -0.000 0.000 0.281 318 T C -1.314 173.409 174.700 0.038 0.000 1.007 318 T CA -0.798 61.315 62.100 0.023 0.000 1.009 318 T CB 1.843 70.783 68.868 0.120 0.000 0.983 318 T HN 0.078 nan 8.240 nan 0.000 0.455 319 K N 3.020 123.438 120.400 0.029 0.000 2.471 319 K HA 0.538 4.858 4.320 -0.000 0.000 0.252 319 K C -1.385 175.251 176.600 0.061 0.000 0.938 319 K CA -0.650 55.691 56.287 0.090 0.000 0.796 319 K CB 1.091 33.593 32.500 0.004 0.000 1.161 319 K HN 0.516 nan 8.250 nan 0.000 0.425 320 L N 3.798 125.112 121.223 0.152 0.000 2.307 320 L HA 0.513 4.853 4.340 -0.000 0.000 0.284 320 L C 0.131 177.058 176.870 0.095 0.000 1.023 320 L CA -0.595 54.258 54.840 0.022 0.000 0.810 320 L CB 1.767 43.769 42.059 -0.096 0.000 1.231 320 L HN 0.827 nan 8.230 nan 0.000 0.423 321 T N -0.173 114.467 114.554 0.143 0.000 2.838 321 T HA 0.909 5.259 4.350 -0.000 0.000 0.292 321 T C -0.804 174.064 174.700 0.280 0.000 1.113 321 T CA -0.847 61.355 62.100 0.170 0.000 1.008 321 T CB 2.475 71.414 68.868 0.117 0.000 1.259 321 T HN 0.717 nan 8.240 nan 0.000 0.520 322 A N 0.355 123.331 122.820 0.260 0.000 2.574 322 A HA 0.746 5.066 4.320 -0.000 0.000 0.297 322 A C -1.450 176.318 177.584 0.305 0.000 1.062 322 A CA -0.799 51.446 52.037 0.347 0.000 0.686 322 A CB 1.888 21.052 19.000 0.273 0.000 1.285 322 A HN 1.017 nan 8.150 nan 0.000 0.403 323 V N 2.227 122.332 119.914 0.317 0.000 2.409 323 V HA 0.343 4.463 4.120 -0.000 0.000 0.290 323 V C 1.283 177.460 176.094 0.139 0.000 1.017 323 V CA 0.311 62.725 62.300 0.190 0.000 0.841 323 V CB 1.148 33.080 31.823 0.181 0.000 1.003 323 V HN 1.222 nan 8.190 nan 0.000 0.426 324 T N 0.247 114.898 114.554 0.162 0.000 2.904 324 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 324 T C 1.999 176.695 174.700 -0.007 0.000 1.059 324 T CA 1.379 63.580 62.100 0.169 0.000 1.137 324 T CB -0.181 68.789 68.868 0.171 0.000 0.879 324 T HN 0.719 nan 8.240 nan 0.000 0.467 325 S N 2.297 117.990 115.700 -0.011 0.000 2.419 325 S HA -0.128 4.342 4.470 -0.000 0.000 0.233 325 S C 2.042 176.587 174.600 -0.092 0.000 1.016 325 S CA 1.427 59.603 58.200 -0.041 0.000 0.974 325 S CB -1.268 61.921 63.200 -0.019 0.000 0.786 325 S HN 0.807 nan 8.310 nan 0.000 0.492 326 T N -1.457 113.022 114.554 -0.124 0.000 3.092 326 T HA 0.225 4.575 4.350 -0.000 0.000 0.258 326 T C 0.797 175.291 174.700 -0.343 0.000 1.031 326 T CA 0.482 62.482 62.100 -0.167 0.000 0.925 326 T CB -0.672 68.147 68.868 -0.082 0.000 1.036 326 T HN 0.899 nan 8.240 nan 0.000 0.544 327 T N 0.133 114.342 114.554 -0.575 0.000 3.622 327 T HA -0.194 4.155 4.350 -0.000 0.000 0.380 327 T C -0.065 173.929 174.700 -1.176 0.000 0.764 327 T CA 1.003 62.292 62.100 -1.352 0.000 1.908 327 T CB -2.927 65.363 68.868 -0.964 0.000 1.771 327 T HN 0.550 nan 8.240 nan 0.000 0.706 328 T N 1.321 115.467 114.554 -0.680 0.000 2.841 328 T HA 0.755 5.105 4.350 -0.000 0.000 0.283 328 T C 0.165 174.820 174.700 -0.074 0.000 1.000 328 T CA -0.134 61.750 62.100 -0.359 0.000 0.977 328 T CB 1.841 70.524 68.868 -0.307 0.000 0.979 328 T HN 0.918 nan 8.240 nan 0.000 0.446 329 A N 2.838 125.653 122.820 -0.009 0.000 2.324 329 A HA 0.835 5.155 4.320 -0.000 0.000 0.330 329 A C -1.538 176.084 177.584 0.062 0.000 1.165 329 A CA -0.616 51.557 52.037 0.226 0.000 0.813 329 A CB 0.629 19.853 19.000 0.373 0.000 1.197 329 A HN 0.811 nan 8.150 nan 0.000 0.484 330 Y N 0.287 120.770 120.300 0.305 0.000 2.499 330 Y HA 0.645 5.195 4.550 -0.000 0.000 0.347 330 Y C 0.023 175.847 175.900 -0.126 0.000 0.987 330 Y CA -0.605 57.583 58.100 0.146 0.000 1.044 330 Y CB 2.420 40.905 38.460 0.041 0.000 1.245 330 Y HN 0.704 nan 8.280 nan 0.000 0.461 331 M N 3.014 122.401 119.600 -0.355 0.000 2.197 331 M HA 0.394 4.874 4.480 -0.000 0.000 0.301 331 M C -1.558 174.498 176.300 -0.406 0.000 0.987 331 M CA -0.368 54.489 55.300 -0.738 0.000 0.921 331 M CB 1.446 33.006 32.600 -1.733 0.000 1.569 331 M HN 0.806 nan 8.290 nan 0.000 0.431 332 E N 5.292 125.341 120.200 -0.253 0.000 2.151 332 E HA 0.525 4.875 4.350 -0.000 0.000 0.275 332 E C -1.848 174.646 176.600 -0.177 0.000 0.936 332 E CA -0.542 55.753 56.400 -0.176 0.000 0.777 332 E CB 1.400 31.034 29.700 -0.109 0.000 1.108 332 E HN 0.761 nan 8.360 nan 0.000 0.401 333 L N 3.438 124.555 121.223 -0.177 0.000 2.341 333 L HA 0.424 4.764 4.340 -0.000 0.000 0.278 333 L C -0.037 176.782 176.870 -0.084 0.000 1.005 333 L CA -0.545 54.214 54.840 -0.134 0.000 0.818 333 L CB 1.838 43.791 42.059 -0.177 0.000 1.259 333 L HN 0.582 nan 8.230 nan 0.000 0.418 334 S N -0.066 115.605 115.700 -0.048 0.000 2.759 334 S HA 0.561 5.031 4.470 -0.000 0.000 0.310 334 S C 0.210 174.801 174.600 -0.016 0.000 1.123 334 S CA -0.554 57.624 58.200 -0.036 0.000 0.959 334 S CB 1.742 64.919 63.200 -0.037 0.000 1.172 334 S HN 0.578 nan 8.310 nan 0.000 0.539 335 S N -0.105 115.587 115.700 -0.013 0.000 3.682 335 S HA -0.117 4.353 4.470 -0.000 0.000 0.354 335 S C 0.181 174.787 174.600 0.009 0.000 1.034 335 S CA 0.281 58.479 58.200 -0.003 0.000 1.084 335 S CB -2.064 61.134 63.200 -0.003 0.000 0.903 335 S HN 0.629 nan 8.310 nan 0.000 0.470 336 L N 1.571 122.797 121.223 0.006 0.000 2.525 336 L HA 0.195 4.535 4.340 -0.000 0.000 0.278 336 L C 1.243 178.129 176.870 0.027 0.000 1.218 336 L CA 0.733 55.584 54.840 0.019 0.000 0.878 336 L CB 0.186 42.251 42.059 0.009 0.000 1.127 336 L HN 0.549 nan 8.230 nan 0.000 0.492 337 T N -1.996 112.584 114.554 0.043 0.000 2.864 337 T HA 0.155 4.505 4.350 -0.000 0.000 0.289 337 T C 0.774 175.507 174.700 0.053 0.000 1.082 337 T CA -0.185 61.940 62.100 0.040 0.000 1.009 337 T CB 1.632 70.523 68.868 0.038 0.000 1.234 337 T HN 0.425 nan 8.240 nan 0.000 0.526 338 S N -0.303 115.426 115.700 0.047 0.000 2.419 338 S HA -0.140 4.330 4.470 -0.000 0.000 0.235 338 S C 1.576 176.217 174.600 0.068 0.000 1.019 338 S CA 1.361 59.593 58.200 0.053 0.000 0.982 338 S CB -0.808 62.416 63.200 0.040 0.000 0.789 338 S HN 0.658 nan 8.310 nan 0.000 0.490 339 E N 1.211 121.454 120.200 0.071 0.000 2.268 339 E HA -0.071 4.279 4.350 -0.000 0.000 0.195 339 E C 1.181 177.860 176.600 0.132 0.000 0.995 339 E CA 0.729 57.182 56.400 0.088 0.000 0.836 339 E CB -0.353 29.395 29.700 0.079 0.000 0.763 339 E HN 0.651 nan 8.360 nan 0.000 0.491 340 D N 0.358 120.846 120.400 0.146 0.000 2.355 340 D HA 0.002 4.642 4.640 -0.000 0.000 0.218 340 D C 0.034 176.476 176.300 0.236 0.000 1.004 340 D CA 0.204 54.334 54.000 0.217 0.000 0.880 340 D CB 0.158 41.062 40.800 0.174 0.000 0.911 340 D HN -0.118 nan 8.370 nan 0.000 0.528 341 S N 0.724 116.517 115.700 0.156 0.000 2.481 341 S HA 0.470 4.940 4.470 -0.000 0.000 0.282 341 S C 0.296 174.972 174.600 0.126 0.000 1.243 341 S CA -0.320 57.968 58.200 0.146 0.000 1.078 341 S CB 1.055 64.311 63.200 0.093 0.000 0.916 341 S HN 0.336 nan 8.310 nan 0.000 0.495 342 A N 3.202 126.109 122.820 0.145 0.000 2.483 342 A HA 0.630 4.950 4.320 -0.000 0.000 0.294 342 A C -1.358 176.211 177.584 -0.025 0.000 1.077 342 A CA -0.744 51.282 52.037 -0.019 0.000 0.633 342 A CB 0.612 19.465 19.000 -0.246 0.000 1.318 342 A HN 0.510 nan 8.150 nan 0.000 0.455 343 V N 0.870 120.711 119.914 -0.121 0.000 2.439 343 V HA 0.498 4.618 4.120 -0.000 0.000 0.282 343 V C -1.159 174.754 176.094 -0.301 0.000 1.039 343 V CA -0.123 62.107 62.300 -0.117 0.000 0.913 343 V CB 0.707 32.464 31.823 -0.109 0.000 0.983 343 V HN 0.653 nan 8.190 nan 0.000 0.460 344 Y N 3.928 124.157 120.300 -0.118 0.000 2.360 344 Y HA 0.648 5.198 4.550 -0.000 0.000 0.337 344 Y C -0.473 175.365 175.900 -0.105 0.000 1.039 344 Y CA -0.647 57.474 58.100 0.034 0.000 1.109 344 Y CB 1.511 40.067 38.460 0.159 0.000 1.201 344 Y HN 0.529 nan 8.280 nan 0.000 0.458 345 Y N 0.850 121.310 120.300 0.266 0.000 2.409 345 Y HA 0.492 5.042 4.550 0.000 0.000 0.343 345 Y C -0.265 175.544 175.900 -0.152 0.000 0.973 345 Y CA -1.165 57.005 58.100 0.118 0.000 1.064 345 Y CB 1.338 39.924 38.460 0.211 0.000 1.207 345 Y HN 0.525 nan 8.280 nan 0.000 0.452 346 c N 2.572 121.044 118.600 -0.212 0.000 2.452 346 c HA 0.730 5.300 4.570 -0.000 0.000 0.379 346 c C 0.326 174.241 174.090 -0.292 0.000 1.275 346 c CA -0.346 55.643 56.329 -0.567 0.000 2.056 346 c CB -0.314 41.824 42.510 -0.620 0.000 2.506 346 c HN 0.879 nan 8.230 nan 0.000 0.560 347 T N 1.337 115.709 114.554 -0.302 0.000 2.903 347 T HA 0.517 4.867 4.350 -0.000 0.000 0.299 347 T C -0.850 173.808 174.700 -0.069 0.000 1.093 347 T CA -0.809 61.104 62.100 -0.311 0.000 1.002 347 T CB 1.163 69.572 68.868 -0.766 0.000 1.127 347 T HN 0.740 nan 8.240 nan 0.000 0.488 348 R N 0.822 121.311 120.500 -0.019 0.000 2.221 348 R HA 0.634 4.974 4.340 -0.000 0.000 0.327 348 R C 0.199 176.588 176.300 0.149 0.000 1.033 348 R CA -0.262 55.883 56.100 0.074 0.000 0.887 348 R CB 0.418 30.673 30.300 -0.076 0.000 1.057 348 R HN 0.969 nan 8.270 nan 0.000 0.455 349 G N 1.154 110.094 108.800 0.233 0.000 2.685 349 G HA2 0.722 4.682 3.960 -0.000 0.000 0.298 349 G HA3 0.722 4.682 3.960 -0.000 0.000 0.298 349 G C -0.990 173.802 174.900 -0.179 0.000 1.277 349 G CA -0.488 44.552 45.100 -0.100 0.000 0.986 349 G HN 0.776 nan 8.290 nan 0.000 0.487 350 G N -1.900 106.323 108.800 -0.961 0.000 2.753 350 G HA2 0.439 4.399 3.960 -0.000 0.000 0.303 350 G HA3 0.439 4.399 3.960 -0.000 0.000 0.303 350 G C -1.419 173.268 174.900 -0.356 0.000 1.242 350 G CA -0.752 44.106 45.100 -0.403 0.000 0.810 350 G HN 0.854 nan 8.290 nan 0.000 0.515 351 H N -0.347 118.661 119.070 -0.103 0.000 2.929 351 H HA 0.426 4.982 4.556 -0.000 0.000 0.317 351 H C 1.353 176.684 175.328 0.005 0.000 1.031 351 H CA 1.734 57.749 56.048 -0.054 0.000 1.466 351 H CB 0.521 30.291 29.762 0.013 0.000 1.482 351 H HN 1.613 nan 8.280 nan 0.000 0.561 352 G N 3.582 112.007 108.800 -0.626 0.000 2.176 352 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.253 352 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.253 352 G C -0.498 174.354 174.900 -0.079 0.000 0.979 352 G CA 0.516 45.395 45.100 -0.369 0.000 0.641 352 G HN 1.012 nan 8.290 nan 0.000 0.530 353 Y N -3.026 117.141 120.300 -0.223 0.000 2.592 353 Y HA 0.592 5.142 4.550 -0.000 0.000 0.334 353 Y C 0.453 176.197 175.900 -0.260 0.000 1.136 353 Y CA -1.468 56.499 58.100 -0.222 0.000 1.042 353 Y CB 0.173 38.510 38.460 -0.205 0.000 1.325 353 Y HN 0.495 nan 8.280 nan 0.000 0.457 354 Y N 0.056 120.165 120.300 -0.317 0.000 2.507 354 Y HA 0.761 5.311 4.550 -0.000 0.000 0.263 354 Y C 0.517 176.169 175.900 -0.413 0.000 1.093 354 Y CA -0.101 57.529 58.100 -0.783 0.000 1.285 354 Y CB 0.832 38.720 38.460 -0.953 0.000 1.115 354 Y HN 0.947 nan 8.280 nan 0.000 0.533 355 G N 1.511 109.878 108.800 -0.721 0.000 3.298 355 G HA2 0.184 4.144 3.960 -0.000 0.000 0.303 355 G HA3 0.184 4.144 3.960 -0.000 0.000 0.303 355 G C -0.893 173.919 174.900 -0.147 0.000 1.668 355 G CA -0.079 44.716 45.100 -0.508 0.000 0.733 355 G HN 0.239 nan 8.290 nan 0.000 0.453 356 D N -0.147 120.273 120.400 0.033 0.000 2.213 356 D HA 0.014 4.654 4.640 -0.000 0.000 0.205 356 D C -0.056 176.074 176.300 -0.283 0.000 0.961 356 D CA 0.769 54.678 54.000 -0.153 0.000 0.853 356 D CB 0.118 40.779 40.800 -0.233 0.000 0.967 356 D HN 0.368 nan 8.370 nan 0.000 0.496 357 Y N -1.096 119.259 120.300 0.092 0.000 2.376 357 Y HA 0.425 4.975 4.550 0.000 0.000 0.340 357 Y C -0.789 175.224 175.900 0.188 0.000 0.965 357 Y CA -1.189 56.992 58.100 0.134 0.000 1.078 357 Y CB 1.410 39.869 38.460 -0.001 0.000 1.193 357 Y HN -0.212 nan 8.280 nan 0.000 0.452 358 W N 1.587 122.952 121.300 0.108 0.000 2.606 358 W HA 0.670 5.330 4.660 -0.000 0.000 0.332 358 W C 0.483 177.090 176.519 0.147 0.000 1.052 358 W CA -1.121 56.286 57.345 0.104 0.000 1.223 358 W CB 1.426 30.907 29.460 0.037 0.000 1.383 358 W HN 0.682 nan 8.180 nan 0.000 0.524 359 G N 0.853 109.852 108.800 0.333 0.000 2.653 359 G HA2 0.170 4.130 3.960 -0.000 0.000 0.265 359 G HA3 0.170 4.130 3.960 -0.000 0.000 0.265 359 G C 0.622 175.733 174.900 0.351 0.000 1.237 359 G CA -0.399 44.849 45.100 0.247 0.000 0.946 359 G HN 0.642 nan 8.290 nan 0.000 0.522 360 Q N -0.806 119.125 119.800 0.219 0.000 2.435 360 Q HA 0.313 4.653 4.340 -0.000 0.000 0.207 360 Q C 0.890 176.976 176.000 0.144 0.000 0.956 360 Q CA 0.595 56.519 55.803 0.203 0.000 0.917 360 Q CB 0.002 28.808 28.738 0.113 0.000 0.997 360 Q HN 1.505 nan 8.270 nan 0.000 0.497 361 G N 0.195 108.978 108.800 -0.027 0.000 2.784 361 G HA2 0.203 4.163 3.960 -0.000 0.000 0.686 361 G HA3 0.203 4.163 3.960 -0.000 0.000 0.686 361 G C -0.965 173.828 174.900 -0.178 0.000 1.156 361 G CA -0.520 44.294 45.100 -0.477 0.000 0.757 361 G HN 0.692 nan 8.290 nan 0.000 0.642 362 A N 1.083 123.830 122.820 -0.121 0.000 2.343 362 A HA 0.924 5.244 4.320 -0.000 0.000 0.308 362 A C 0.321 177.943 177.584 0.062 0.000 1.092 362 A CA 0.540 52.585 52.037 0.014 0.000 0.751 362 A CB 1.727 20.776 19.000 0.081 0.000 1.203 362 A HN 2.293 nan 8.150 nan 0.000 0.452 363 S N 1.860 117.592 115.700 0.054 0.000 2.513 363 S HA 0.538 5.008 4.470 -0.000 0.000 0.276 363 S C -0.562 174.106 174.600 0.112 0.000 1.254 363 S CA -0.337 57.915 58.200 0.087 0.000 1.053 363 S CB 0.372 63.603 63.200 0.050 0.000 0.958 363 S HN 1.261 nan 8.310 nan 0.000 0.491 364 L N 5.210 126.537 121.223 0.174 0.000 2.325 364 L HA 0.657 4.997 4.340 -0.000 0.000 0.281 364 L C -0.597 176.345 176.870 0.120 0.000 1.004 364 L CA 0.169 55.088 54.840 0.131 0.000 0.823 364 L CB 1.831 43.972 42.059 0.138 0.000 1.236 364 L HN 0.676 nan 8.230 nan 0.000 0.415 365 T N 4.621 119.219 114.554 0.073 0.000 2.792 365 T HA 0.607 4.957 4.350 -0.000 0.000 0.280 365 T C -0.777 173.952 174.700 0.048 0.000 0.990 365 T CA -0.388 61.749 62.100 0.062 0.000 0.960 365 T CB 1.533 70.429 68.868 0.047 0.000 0.939 365 T HN 0.358 nan 8.240 nan 0.000 0.439 366 V N 2.908 122.853 119.914 0.051 0.000 2.370 366 V HA 0.878 4.998 4.120 -0.000 0.000 0.283 366 V C 0.407 176.521 176.094 0.033 0.000 1.023 366 V CA -0.205 62.118 62.300 0.039 0.000 0.857 366 V CB 0.559 32.409 31.823 0.045 0.000 0.985 366 V HN 1.223 nan 8.190 nan 0.000 0.443 367 S N 0.000 115.715 115.700 0.025 0.000 2.498 367 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 367 S CA 0.000 58.213 58.200 0.022 0.000 1.107 367 S CB 0.000 63.213 63.200 0.022 0.000 0.593 367 S HN 0.000 nan 8.310 nan 0.000 0.517