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 3g3q_1_B DATA FIRST_RESID 193 DATA SEQUENCE NFVRQTTKYW VHPDNITELK LIILKHLPVL VFNTNKEFER EDSAITSIYF DATA SEQUENCE DNENLDLYYG RLRKDEGAEA HRLRWYGGMS TDTIFVERKT HREDWTGEKS DATA SEQUENCE VKARFALKER HVNDFLKGKY TVDQVFAKMR KEGKKPMNEI ENLEALASEI DATA SEQUENCE QYVMLKKKLR PVVRSFYNRT AFQLPGDARV RISLDTELTM VREDNFDGVD DATA SEQUENCE RTHKNWRRTD IGVDWPFKQL DDKDICRFPY AVLEVKLQTQ LGQEPPEWVR DATA SEQUENCE ELVGSHLVEP VPKFSKFIHG VATLLNDKVD SIPFWL 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 193 N HA 0.000 nan 4.740 nan 0.000 0.220 193 N C 0.000 175.573 175.510 0.105 0.000 1.280 193 N CA 0.000 53.039 53.050 -0.019 0.000 0.885 193 N CB 0.000 38.394 38.487 -0.154 0.000 1.341 194 F N -1.555 118.394 119.950 -0.001 0.000 2.668 194 F HA 0.764 5.291 4.527 -0.000 0.000 0.309 194 F C -1.265 174.532 175.800 -0.004 0.000 1.117 194 F CA -0.935 57.063 58.000 -0.003 0.000 0.951 194 F CB 0.829 39.828 39.000 -0.002 0.000 1.323 194 F HN 0.075 nan 8.300 nan 0.000 0.451 195 V N 1.454 121.486 119.914 0.196 0.000 2.435 195 V HA 0.912 5.032 4.120 -0.000 0.000 0.290 195 V C 0.198 176.384 176.094 0.154 0.000 1.030 195 V CA -0.429 61.930 62.300 0.098 0.000 0.881 195 V CB 1.061 32.913 31.823 0.049 0.000 0.983 195 V HN 1.198 nan 8.190 nan 0.000 0.445 196 R N 3.334 123.903 120.500 0.115 0.000 2.720 196 R HA 0.947 5.287 4.340 -0.000 0.000 0.272 196 R C -0.367 175.965 176.300 0.053 0.000 0.991 196 R CA -0.391 55.773 56.100 0.106 0.000 1.010 196 R CB 1.485 31.858 30.300 0.121 0.000 1.141 196 R HN 0.988 nan 8.270 nan 0.000 0.494 197 Q N -0.852 118.973 119.800 0.043 0.000 2.666 197 Q HA 0.543 4.883 4.340 -0.000 0.000 0.276 197 Q C -1.271 174.741 176.000 0.021 0.000 0.952 197 Q CA -0.470 55.347 55.803 0.023 0.000 0.850 197 Q CB 1.643 30.388 28.738 0.011 0.000 1.512 197 Q HN 0.968 nan 8.270 nan 0.000 0.395 198 T N -0.916 113.646 114.554 0.013 0.000 2.916 198 T HA 0.827 5.177 4.350 -0.000 0.000 0.305 198 T C -0.823 173.866 174.700 -0.018 0.000 1.119 198 T CA -0.424 61.685 62.100 0.015 0.000 1.008 198 T CB 2.141 71.024 68.868 0.026 0.000 1.129 198 T HN 0.635 nan 8.240 nan 0.000 0.480 199 T N 2.157 116.699 114.554 -0.021 0.000 2.909 199 T HA 0.605 4.955 4.350 -0.000 0.000 0.299 199 T C -0.993 173.574 174.700 -0.221 0.000 1.073 199 T CA -1.043 60.950 62.100 -0.177 0.000 0.999 199 T CB 1.819 70.532 68.868 -0.257 0.000 1.098 199 T HN 0.712 nan 8.240 nan 0.000 0.477 200 K N 1.653 121.815 120.400 -0.396 0.000 2.270 200 K HA 0.660 4.980 4.320 -0.000 0.000 0.255 200 K C -1.354 174.920 176.600 -0.545 0.000 0.936 200 K CA -0.788 55.341 56.287 -0.263 0.000 0.809 200 K CB 1.726 34.165 32.500 -0.101 0.000 1.131 200 K HN 0.587 nan 8.250 nan 0.000 0.427 201 Y N 0.030 120.254 120.300 -0.127 0.000 2.605 201 Y HA 0.448 4.998 4.550 -0.000 0.000 0.343 201 Y C -0.521 175.347 175.900 -0.054 0.000 1.036 201 Y CA -1.248 56.749 58.100 -0.172 0.000 1.065 201 Y CB 1.362 39.761 38.460 -0.102 0.000 1.288 201 Y HN 0.399 nan 8.280 nan 0.000 0.481 202 W N 1.328 122.572 121.300 -0.093 0.000 2.496 202 W HA 0.647 5.307 4.660 -0.000 0.000 0.327 202 W C -1.180 175.268 176.519 -0.119 0.000 1.086 202 W CA -1.452 55.786 57.345 -0.179 0.000 1.222 202 W CB 1.381 30.603 29.460 -0.397 0.000 1.304 202 W HN 0.073 nan 8.180 nan 0.000 0.547 203 V N 3.718 123.735 119.914 0.173 0.000 2.407 203 V HA 0.112 4.232 4.120 -0.000 0.000 0.291 203 V C 0.337 176.535 176.094 0.172 0.000 1.018 203 V CA -1.074 61.296 62.300 0.117 0.000 0.842 203 V CB 1.025 32.895 31.823 0.078 0.000 0.996 203 V HN 0.438 nan 8.190 nan 0.000 0.426 204 H N 7.232 126.360 119.070 0.097 0.000 2.897 204 H HA 0.098 4.654 4.556 -0.000 0.000 0.347 204 H C -1.768 173.633 175.328 0.122 0.000 1.068 204 H CA -1.032 55.131 56.048 0.191 0.000 1.426 204 H CB 2.041 31.887 29.762 0.140 0.000 1.410 204 H HN 0.339 nan 8.280 nan 0.000 0.597 205 P HA -0.160 nan 4.420 nan 0.000 0.217 205 P C 0.809 178.197 177.300 0.147 0.000 1.148 205 P CA 1.382 64.479 63.100 -0.006 0.000 0.834 205 P CB 0.327 31.951 31.700 -0.126 0.000 0.783 206 D N -1.604 119.019 120.400 0.372 0.000 2.219 206 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 206 D C 1.396 177.786 176.300 0.151 0.000 0.970 206 D CA 0.939 55.088 54.000 0.248 0.000 0.851 206 D CB -0.670 40.270 40.800 0.234 0.000 0.943 206 D HN 0.352 nan 8.370 nan 0.000 0.488 207 N N -0.042 118.751 118.700 0.155 0.000 2.254 207 N HA 0.116 4.856 4.740 -0.000 0.000 0.190 207 N C 1.797 177.331 175.510 0.039 0.000 1.107 207 N CA -0.139 52.953 53.050 0.070 0.000 0.869 207 N CB 1.041 39.550 38.487 0.037 0.000 0.983 207 N HN 0.172 nan 8.380 nan 0.000 0.487 208 I N 1.846 122.450 120.570 0.057 0.000 2.052 208 I HA -0.327 3.843 4.170 -0.000 0.000 0.235 208 I C 2.600 178.728 176.117 0.019 0.000 1.046 208 I CA 1.771 63.092 61.300 0.035 0.000 1.308 208 I CB -0.996 37.027 38.000 0.040 0.000 1.031 208 I HN 0.215 nan 8.210 nan 0.000 0.395 209 T N -1.208 113.361 114.554 0.026 0.000 2.699 209 T HA -0.296 4.054 4.350 -0.000 0.000 0.268 209 T C 1.651 176.352 174.700 0.001 0.000 1.036 209 T CA 1.836 63.947 62.100 0.018 0.000 1.147 209 T CB -0.605 68.277 68.868 0.024 0.000 0.862 209 T HN 0.507 nan 8.240 nan 0.000 0.446 210 E N 0.847 121.047 120.200 -0.000 0.000 2.017 210 E HA -0.131 4.218 4.350 -0.000 0.000 0.193 210 E C 2.235 178.810 176.600 -0.042 0.000 0.997 210 E CA 1.110 57.501 56.400 -0.016 0.000 0.804 210 E CB -0.286 29.409 29.700 -0.008 0.000 0.757 210 E HN 0.420 nan 8.360 nan 0.000 0.448 211 L N 1.774 122.966 121.223 -0.051 0.000 2.013 211 L HA -0.239 4.100 4.340 -0.000 0.000 0.212 211 L C 2.390 179.198 176.870 -0.103 0.000 1.073 211 L CA 2.297 57.090 54.840 -0.079 0.000 0.753 211 L CB -0.515 41.497 42.059 -0.078 0.000 0.890 211 L HN 0.062 nan 8.230 nan 0.000 0.432 212 K N -0.804 119.551 120.400 -0.075 0.000 2.103 212 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 212 K C 2.074 178.611 176.600 -0.105 0.000 1.048 212 K CA 1.874 58.111 56.287 -0.084 0.000 0.930 212 K CB -0.224 32.288 32.500 0.021 0.000 0.716 212 K HN 0.459 nan 8.250 nan 0.000 0.444 213 L N 0.622 121.800 121.223 -0.075 0.000 2.072 213 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 213 L C 2.262 179.049 176.870 -0.138 0.000 1.079 213 L CA 0.932 55.721 54.840 -0.085 0.000 0.752 213 L CB -0.342 41.680 42.059 -0.061 0.000 0.906 213 L HN 0.209 nan 8.230 nan 0.000 0.436 214 I N -0.060 120.436 120.570 -0.125 0.000 2.208 214 I HA -0.338 3.832 4.170 -0.000 0.000 0.245 214 I C 2.423 178.415 176.117 -0.208 0.000 1.097 214 I CA 1.632 62.856 61.300 -0.127 0.000 1.363 214 I CB -0.417 37.557 38.000 -0.044 0.000 1.051 214 I HN 0.213 nan 8.210 nan 0.000 0.413 215 I N 0.738 121.164 120.570 -0.241 0.000 2.179 215 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 215 I C 2.488 178.391 176.117 -0.357 0.000 1.088 215 I CA 1.501 62.585 61.300 -0.360 0.000 1.357 215 I CB -0.340 37.276 38.000 -0.641 0.000 1.051 215 I HN 0.177 nan 8.210 nan 0.000 0.409 216 L N 0.444 121.513 121.223 -0.256 0.000 2.265 216 L HA -0.213 4.127 4.340 -0.000 0.000 0.215 216 L C 2.465 179.213 176.870 -0.202 0.000 1.117 216 L CA 1.055 55.832 54.840 -0.105 0.000 0.782 216 L CB -0.499 41.551 42.059 -0.015 0.000 0.914 216 L HN 0.165 nan 8.230 nan 0.000 0.441 217 K N -0.427 119.767 120.400 -0.342 0.000 2.103 217 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 217 K C 1.727 177.911 176.600 -0.695 0.000 1.048 217 K CA 1.687 57.656 56.287 -0.530 0.000 0.930 217 K CB -0.010 32.066 32.500 -0.706 0.000 0.716 217 K HN 0.452 nan 8.250 nan 0.000 0.444 218 H N -2.198 116.562 119.070 -0.517 0.000 2.788 218 H HA 0.311 4.866 4.556 -0.000 0.000 0.262 218 H C -0.465 174.716 175.328 -0.244 0.000 0.968 218 H CA 0.007 55.742 56.048 -0.522 0.000 1.218 218 H CB 0.781 29.840 29.762 -1.171 0.000 1.443 218 H HN -0.087 nan 8.280 nan 0.000 0.478 219 L N 2.536 123.712 121.223 -0.079 0.000 2.353 219 L HA 0.403 4.743 4.340 -0.000 0.000 0.270 219 L C -2.672 174.293 176.870 0.158 0.000 1.003 219 L CA -2.233 52.665 54.840 0.096 0.000 0.862 219 L CB 1.991 44.175 42.059 0.208 0.000 1.221 219 L HN -0.119 nan 8.230 nan 0.000 0.430 220 P HA 0.019 nan 4.420 nan 0.000 0.269 220 P C -0.336 177.040 177.300 0.126 0.000 1.215 220 P CA -0.315 62.845 63.100 0.101 0.000 0.780 220 P CB 0.607 32.334 31.700 0.045 0.000 0.898 221 V N 0.579 120.526 119.914 0.056 0.000 2.740 221 V HA 0.126 4.246 4.120 -0.000 0.000 0.303 221 V C 0.207 176.259 176.094 -0.071 0.000 1.054 221 V CA -0.349 61.888 62.300 -0.105 0.000 1.106 221 V CB -0.481 31.243 31.823 -0.164 0.000 0.957 221 V HN 0.241 nan 8.190 nan 0.000 0.486 222 L N 4.247 125.400 121.223 -0.117 0.000 2.313 222 L HA 0.224 4.564 4.340 -0.000 0.000 0.282 222 L C 1.171 178.034 176.870 -0.012 0.000 1.092 222 L CA -0.260 54.556 54.840 -0.040 0.000 0.831 222 L CB 1.382 43.418 42.059 -0.039 0.000 1.159 222 L HN 0.656 nan 8.230 nan 0.000 0.442 223 V N 4.362 124.316 119.914 0.067 0.000 2.255 223 V HA -0.244 3.876 4.120 -0.000 0.000 0.243 223 V C 1.525 177.845 176.094 0.376 0.000 1.038 223 V CA 1.998 64.386 62.300 0.147 0.000 1.008 223 V CB -0.652 31.237 31.823 0.110 0.000 0.645 223 V HN 1.033 nan 8.190 nan 0.000 0.449 224 F N 0.085 120.018 119.950 -0.030 0.000 2.635 224 F HA -0.305 4.222 4.527 -0.000 0.000 0.502 224 F C 0.304 176.079 175.800 -0.042 0.000 0.538 224 F CA 1.593 59.564 58.000 -0.048 0.000 1.064 224 F CB -1.897 37.057 39.000 -0.077 0.000 1.751 224 F HN 0.371 nan 8.300 nan 0.000 0.268 225 N N 1.334 119.973 118.700 -0.103 0.000 2.467 225 N HA 0.169 4.909 4.740 -0.000 0.000 0.278 225 N C -0.203 175.257 175.510 -0.083 0.000 1.306 225 N CA 0.665 53.547 53.050 -0.279 0.000 0.905 225 N CB 0.105 38.544 38.487 -0.080 0.000 1.236 225 N HN 0.572 nan 8.380 nan 0.000 0.509 226 T N -0.660 113.858 114.554 -0.061 0.000 3.182 226 T HA 0.265 4.615 4.350 -0.000 0.000 0.274 226 T C 0.515 175.193 174.700 -0.036 0.000 0.997 226 T CA -0.197 61.892 62.100 -0.018 0.000 1.082 226 T CB -0.223 68.643 68.868 -0.003 0.000 1.005 226 T HN 0.427 nan 8.240 nan 0.000 0.688 227 N N 1.357 120.041 118.700 -0.027 0.000 2.493 227 N HA 0.017 4.757 4.740 -0.000 0.000 0.313 227 N C -0.637 174.866 175.510 -0.013 0.000 0.648 227 N CA -0.190 52.844 53.050 -0.027 0.000 0.686 227 N CB -0.117 38.340 38.487 -0.050 0.000 2.364 227 N HN 0.586 nan 8.380 nan 0.000 1.326 228 K N 2.730 123.121 120.400 -0.015 0.000 2.211 228 K HA 0.388 4.708 4.320 -0.000 0.000 0.275 228 K C 0.319 176.935 176.600 0.026 0.000 1.024 228 K CA -0.706 55.582 56.287 0.001 0.000 0.887 228 K CB 1.255 33.750 32.500 -0.008 0.000 1.084 228 K HN 0.254 nan 8.250 nan 0.000 0.463 229 E N 3.531 123.755 120.200 0.039 0.000 2.485 229 E HA -0.157 4.193 4.350 -0.000 0.000 0.266 229 E C -0.554 176.111 176.600 0.108 0.000 1.137 229 E CA -0.312 56.136 56.400 0.080 0.000 1.010 229 E CB 0.199 29.943 29.700 0.074 0.000 0.986 229 E HN 0.653 nan 8.360 nan 0.000 0.460 230 F N 0.815 120.781 119.950 0.027 0.000 2.607 230 F HA 0.075 4.602 4.527 -0.000 0.000 0.374 230 F C 0.234 176.059 175.800 0.042 0.000 1.104 230 F CA 0.601 58.623 58.000 0.037 0.000 1.296 230 F CB 0.483 39.501 39.000 0.031 0.000 1.085 230 F HN 0.390 nan 8.300 nan 0.000 0.584 231 E N 5.362 124.970 120.200 -0.987 0.000 2.340 231 E HA 0.234 4.584 4.350 -0.000 0.000 0.273 231 E C 0.506 176.448 176.600 -1.095 0.000 0.891 231 E CA -0.813 55.044 56.400 -0.905 0.000 0.757 231 E CB 2.114 31.619 29.700 -0.324 0.000 1.231 231 E HN 0.718 nan 8.360 nan 0.000 0.439 232 R N 1.137 121.239 120.500 -0.664 0.000 2.083 232 R HA -0.156 4.184 4.340 -0.000 0.000 0.237 232 R C 1.386 177.621 176.300 -0.107 0.000 1.137 232 R CA 1.621 57.566 56.100 -0.258 0.000 0.951 232 R CB -0.001 30.265 30.300 -0.057 0.000 0.851 232 R HN 0.505 nan 8.270 nan 0.000 0.434 233 E N 0.522 120.679 120.200 -0.071 0.000 2.511 233 E HA -0.086 4.264 4.350 -0.000 0.000 0.196 233 E C 0.629 177.262 176.600 0.056 0.000 1.066 233 E CA 0.203 56.623 56.400 0.034 0.000 0.871 233 E CB 0.107 29.853 29.700 0.076 0.000 0.863 233 E HN 0.268 nan 8.360 nan 0.000 0.520 234 D N 0.217 120.619 120.400 0.003 0.000 2.351 234 D HA -0.064 4.576 4.640 -0.000 0.000 0.216 234 D C 1.221 177.598 176.300 0.129 0.000 0.968 234 D CA 0.719 54.774 54.000 0.092 0.000 0.899 234 D CB 0.086 40.925 40.800 0.065 0.000 0.907 234 D HN -0.028 nan 8.370 nan 0.000 0.514 235 S N -0.397 115.337 115.700 0.057 0.000 2.548 235 S HA 0.253 4.722 4.470 -0.000 0.000 0.215 235 S C 0.848 175.405 174.600 -0.071 0.000 0.976 235 S CA -0.270 57.924 58.200 -0.010 0.000 0.908 235 S CB 0.450 63.640 63.200 -0.017 0.000 0.781 235 S HN 0.291 nan 8.310 nan 0.000 0.519 236 A N 1.696 124.505 122.820 -0.019 0.000 2.407 236 A HA 0.605 4.925 4.320 -0.000 0.000 0.248 236 A C -0.168 177.277 177.584 -0.231 0.000 1.082 236 A CA 0.081 52.062 52.037 -0.093 0.000 0.785 236 A CB 0.052 19.162 19.000 0.183 0.000 1.020 236 A HN 0.427 nan 8.150 nan 0.000 0.489 237 I N 1.624 121.858 120.570 -0.560 0.000 2.534 237 I HA 0.283 4.453 4.170 -0.000 0.000 0.286 237 I C -0.596 175.035 176.117 -0.810 0.000 1.094 237 I CA -0.200 60.649 61.300 -0.752 0.000 1.055 237 I CB 2.453 39.914 38.000 -0.898 0.000 1.225 237 I HN 0.578 nan 8.210 nan 0.000 0.435 238 T N 3.620 117.658 114.554 -0.860 0.000 2.856 238 T HA 0.579 4.929 4.350 -0.000 0.000 0.283 238 T C -0.440 173.819 174.700 -0.734 0.000 1.008 238 T CA -0.692 60.906 62.100 -0.836 0.000 0.997 238 T CB 1.811 69.847 68.868 -1.386 0.000 0.992 238 T HN 0.490 nan 8.240 nan 0.000 0.454 239 S N 2.589 118.070 115.700 -0.366 0.000 2.677 239 S HA 0.443 4.912 4.470 -0.000 0.000 0.283 239 S C -0.668 173.897 174.600 -0.057 0.000 1.159 239 S CA -0.808 57.257 58.200 -0.226 0.000 1.001 239 S CB 0.795 63.829 63.200 -0.276 0.000 1.032 239 S HN 0.526 nan 8.310 nan 0.000 0.487 240 I N 3.529 124.151 120.570 0.086 0.000 2.291 240 I HA 0.256 4.426 4.170 -0.000 0.000 0.292 240 I C -0.619 175.625 176.117 0.212 0.000 1.064 240 I CA -0.530 60.904 61.300 0.223 0.000 1.269 240 I CB -0.656 37.603 38.000 0.432 0.000 1.418 240 I HN 0.616 nan 8.210 nan 0.000 0.485 241 Y N 5.905 126.317 120.300 0.187 0.000 2.335 241 Y HA 0.282 4.832 4.550 -0.000 0.000 0.331 241 Y C 0.238 176.248 175.900 0.183 0.000 1.094 241 Y CA 0.294 58.462 58.100 0.114 0.000 1.253 241 Y CB 0.771 39.183 38.460 -0.081 0.000 1.203 241 Y HN 0.343 nan 8.280 nan 0.000 0.508 242 F N 2.348 122.396 119.950 0.163 0.000 2.425 242 F HA 0.396 4.923 4.527 -0.000 0.000 0.331 242 F C 0.130 176.057 175.800 0.210 0.000 1.085 242 F CA -0.174 57.935 58.000 0.181 0.000 1.028 242 F CB 1.366 40.456 39.000 0.151 0.000 1.177 242 F HN 0.488 nan 8.300 nan 0.000 0.487 243 D N 0.593 121.196 120.400 0.339 0.000 2.710 243 D HA 0.184 4.824 4.640 -0.000 0.000 0.276 243 D C -1.575 174.909 176.300 0.307 0.000 1.267 243 D CA -0.511 53.691 54.000 0.338 0.000 0.772 243 D CB 1.343 42.385 40.800 0.403 0.000 1.299 243 D HN 0.474 nan 8.370 nan 0.000 0.421 244 N N -0.402 118.459 118.700 0.268 0.000 2.671 244 N HA 0.265 5.005 4.740 -0.000 0.000 0.303 244 N C 0.749 176.351 175.510 0.154 0.000 1.277 244 N CA -0.340 52.854 53.050 0.241 0.000 0.933 244 N CB 0.432 39.016 38.487 0.161 0.000 1.190 244 N HN 0.222 nan 8.380 nan 0.000 0.600 245 E N -0.571 119.673 120.200 0.073 0.000 2.171 245 E HA -0.140 4.209 4.350 -0.000 0.000 0.197 245 E C 0.215 176.659 176.600 -0.261 0.000 0.997 245 E CA 1.054 57.306 56.400 -0.246 0.000 0.810 245 E CB -0.248 29.414 29.700 -0.063 0.000 0.738 245 E HN 0.508 nan 8.360 nan 0.000 0.467 246 N N 0.144 118.810 118.700 -0.056 0.000 2.398 246 N HA 0.022 4.762 4.740 -0.000 0.000 0.188 246 N C 0.742 176.345 175.510 0.154 0.000 1.122 246 N CA 0.062 53.122 53.050 0.018 0.000 0.866 246 N CB 0.490 39.004 38.487 0.045 0.000 0.970 246 N HN 0.129 nan 8.380 nan 0.000 0.462 247 L N 0.745 122.035 121.223 0.111 0.000 3.843 247 L HA -0.268 4.072 4.340 -0.000 0.000 0.411 247 L C 0.543 177.643 176.870 0.382 0.000 1.205 247 L CA -0.044 54.913 54.840 0.194 0.000 0.945 247 L CB -1.266 40.809 42.059 0.027 0.000 1.929 247 L HN 0.048 nan 8.230 nan 0.000 0.934 248 D N 0.213 120.804 120.400 0.318 0.000 2.157 248 D HA -0.203 4.437 4.640 -0.000 0.000 0.191 248 D C 1.897 178.397 176.300 0.332 0.000 1.004 248 D CA 1.694 55.880 54.000 0.310 0.000 0.854 248 D CB 0.103 41.025 40.800 0.203 0.000 0.936 248 D HN 0.327 nan 8.370 nan 0.000 0.446 249 L N -0.066 121.356 121.223 0.332 0.000 2.046 249 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 249 L C 2.280 179.396 176.870 0.411 0.000 1.077 249 L CA 1.183 56.238 54.840 0.358 0.000 0.747 249 L CB -1.218 41.066 42.059 0.376 0.000 0.896 249 L HN 0.137 nan 8.230 nan 0.000 0.432 250 Y N -0.618 119.850 120.300 0.279 0.000 2.030 250 Y HA -0.384 4.166 4.550 -0.000 0.000 0.274 250 Y C 2.575 178.417 175.900 -0.098 0.000 1.153 250 Y CA 1.933 60.022 58.100 -0.018 0.000 1.115 250 Y CB -0.747 37.506 38.460 -0.346 0.000 0.969 250 Y HN 0.186 nan 8.280 nan 0.000 0.488 251 Y N 0.078 120.425 120.300 0.078 0.000 2.207 251 Y HA -0.144 4.406 4.550 -0.000 0.000 0.287 251 Y C 2.761 178.630 175.900 -0.052 0.000 1.156 251 Y CA 1.361 59.432 58.100 -0.048 0.000 1.182 251 Y CB -1.188 37.320 38.460 0.080 0.000 0.979 251 Y HN 0.259 nan 8.280 nan 0.000 0.521 252 G N -0.083 108.830 108.800 0.189 0.000 2.446 252 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.217 252 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.217 252 G C 1.866 176.811 174.900 0.076 0.000 1.168 252 G CA 0.827 46.016 45.100 0.148 0.000 0.771 252 G HN 0.163 nan 8.290 nan 0.000 0.551 253 R N -0.354 120.176 120.500 0.050 0.000 2.073 253 R HA 0.099 4.439 4.340 -0.000 0.000 0.229 253 R C 2.451 178.671 176.300 -0.134 0.000 1.120 253 R CA 0.525 56.627 56.100 0.003 0.000 0.967 253 R CB -1.331 29.051 30.300 0.136 0.000 0.862 253 R HN 0.409 nan 8.270 nan 0.000 0.436 254 L N 1.669 122.715 121.223 -0.296 0.000 1.971 254 L HA -0.187 4.153 4.340 -0.000 0.000 0.215 254 L C 2.131 178.912 176.870 -0.148 0.000 1.072 254 L CA 1.933 56.566 54.840 -0.346 0.000 0.758 254 L CB -0.442 41.263 42.059 -0.591 0.000 0.889 254 L HN 0.028 nan 8.230 nan 0.000 0.433 255 R N -0.360 120.098 120.500 -0.070 0.000 2.235 255 R HA -0.024 4.316 4.340 -0.000 0.000 0.213 255 R C -0.032 176.264 176.300 -0.008 0.000 1.059 255 R CA 0.242 56.341 56.100 -0.003 0.000 0.997 255 R CB -0.058 30.272 30.300 0.050 0.000 0.884 255 R HN 0.193 nan 8.270 nan 0.000 0.462 256 K N 2.106 122.472 120.400 -0.056 0.000 3.393 256 K HA -0.119 4.201 4.320 -0.000 0.000 0.272 256 K C -1.242 175.426 176.600 0.113 0.000 1.004 256 K CA 0.621 56.819 56.287 -0.148 0.000 0.764 256 K CB -1.556 30.714 32.500 -0.384 0.000 1.373 256 K HN 0.280 nan 8.250 nan 0.000 0.458 257 D N 1.297 121.796 120.400 0.164 0.000 2.399 257 D HA 0.026 4.666 4.640 -0.000 0.000 0.241 257 D C 0.896 177.358 176.300 0.269 0.000 1.133 257 D CA -0.071 54.055 54.000 0.210 0.000 0.890 257 D CB 0.651 41.549 40.800 0.163 0.000 1.201 257 D HN 0.182 nan 8.370 nan 0.000 0.432 258 E N 0.324 120.649 120.200 0.208 0.000 2.606 258 E HA 0.185 4.535 4.350 -0.000 0.000 0.248 258 E C 1.021 177.662 176.600 0.068 0.000 1.005 258 E CA 0.741 57.181 56.400 0.065 0.000 0.946 258 E CB -0.324 29.437 29.700 0.101 0.000 0.928 258 E HN 0.623 nan 8.360 nan 0.000 0.494 259 G N 2.759 111.567 108.800 0.012 0.000 2.175 259 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.244 259 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.244 259 G C 0.435 175.401 174.900 0.110 0.000 0.982 259 G CA 0.067 45.194 45.100 0.046 0.000 0.641 259 G HN 1.164 nan 8.290 nan 0.000 0.527 260 A N 0.515 123.430 122.820 0.158 0.000 2.561 260 A HA 0.482 4.801 4.320 -0.000 0.000 0.251 260 A C 0.536 178.219 177.584 0.164 0.000 1.062 260 A CA 0.885 53.026 52.037 0.174 0.000 0.761 260 A CB 0.062 19.170 19.000 0.180 0.000 0.986 260 A HN 0.569 nan 8.150 nan 0.000 0.510 261 E N 0.863 121.166 120.200 0.171 0.000 2.242 261 E HA 0.576 4.926 4.350 -0.000 0.000 0.275 261 E C -0.198 176.489 176.600 0.146 0.000 1.002 261 E CA -0.447 56.033 56.400 0.134 0.000 0.841 261 E CB 1.794 31.609 29.700 0.191 0.000 1.109 261 E HN 0.760 nan 8.360 nan 0.000 0.394 262 A N 3.138 125.973 122.820 0.024 0.000 2.343 262 A HA 0.437 4.757 4.320 -0.000 0.000 0.316 262 A C -1.177 176.337 177.584 -0.116 0.000 1.104 262 A CA -0.646 51.404 52.037 0.022 0.000 0.768 262 A CB 0.791 19.815 19.000 0.041 0.000 1.213 262 A HN 0.628 nan 8.150 nan 0.000 0.456 263 H N 2.324 121.414 119.070 0.033 0.000 2.539 263 H HA 0.529 5.085 4.556 -0.000 0.000 0.332 263 H C -0.269 175.043 175.328 -0.026 0.000 1.031 263 H CA -0.335 55.722 56.048 0.015 0.000 1.206 263 H CB 1.639 31.431 29.762 0.050 0.000 1.446 263 H HN 0.865 nan 8.280 nan 0.000 0.496 264 R N 2.375 122.829 120.500 -0.076 0.000 2.698 264 R HA 0.461 4.801 4.340 -0.000 0.000 0.275 264 R C -1.931 174.303 176.300 -0.110 0.000 1.001 264 R CA -1.049 54.936 56.100 -0.191 0.000 0.896 264 R CB 1.272 31.109 30.300 -0.770 0.000 1.218 264 R HN 0.151 nan 8.270 nan 0.000 0.462 265 L N 2.611 123.854 121.223 0.034 0.000 2.287 265 L HA 0.549 4.889 4.340 -0.000 0.000 0.287 265 L C -0.032 176.937 176.870 0.165 0.000 1.022 265 L CA -0.270 54.607 54.840 0.062 0.000 0.814 265 L CB 1.417 43.545 42.059 0.115 0.000 1.217 265 L HN 0.671 nan 8.230 nan 0.000 0.420 266 R N 3.202 123.764 120.500 0.104 0.000 2.599 266 R HA 0.649 4.989 4.340 -0.000 0.000 0.295 266 R C -1.863 174.584 176.300 0.246 0.000 0.963 266 R CA -0.711 55.405 56.100 0.027 0.000 0.883 266 R CB 1.571 31.769 30.300 -0.169 0.000 1.171 266 R HN 0.660 nan 8.270 nan 0.000 0.450 267 W N 3.736 125.055 121.300 0.031 0.000 2.785 267 W HA 0.446 5.106 4.660 -0.000 0.000 0.333 267 W C -2.011 174.508 176.519 -0.000 0.000 1.062 267 W CA -1.236 56.184 57.345 0.125 0.000 1.233 267 W CB 0.537 30.106 29.460 0.182 0.000 1.413 267 W HN 0.346 nan 8.180 nan 0.000 0.489 268 Y N 4.510 125.022 120.300 0.353 0.000 2.350 268 Y HA 0.579 5.129 4.550 -0.000 0.000 0.340 268 Y C 1.158 177.240 175.900 0.303 0.000 1.006 268 Y CA 0.975 59.212 58.100 0.228 0.000 1.166 268 Y CB 1.231 39.876 38.460 0.308 0.000 1.168 268 Y HN 1.099 nan 8.280 nan 0.000 0.502 269 G N 1.541 110.541 108.800 0.334 0.000 2.428 269 G HA2 0.083 4.043 3.960 -0.000 0.000 0.202 269 G HA3 0.083 4.043 3.960 -0.000 0.000 0.202 269 G C 0.097 175.219 174.900 0.371 0.000 1.247 269 G CA -0.660 44.626 45.100 0.310 0.000 1.020 269 G HN 0.974 nan 8.290 nan 0.000 0.529 270 G N -1.659 107.311 108.800 0.283 0.000 2.553 270 G HA2 0.530 4.490 3.960 -0.000 0.000 0.278 270 G HA3 0.530 4.490 3.960 -0.000 0.000 0.278 270 G C 1.211 176.264 174.900 0.254 0.000 1.349 270 G CA 0.316 45.572 45.100 0.259 0.000 1.037 270 G HN 0.576 nan 8.290 nan 0.000 0.508 271 M N -0.013 119.670 119.600 0.138 0.000 2.562 271 M HA 0.055 4.535 4.480 -0.000 0.000 0.257 271 M C 2.190 178.451 176.300 -0.065 0.000 1.099 271 M CA 0.526 55.819 55.300 -0.012 0.000 1.099 271 M CB -0.544 32.046 32.600 -0.018 0.000 1.427 271 M HN 0.303 nan 8.290 nan 0.000 0.489 272 S N 0.196 115.894 115.700 -0.004 0.000 2.650 272 S HA 0.037 4.507 4.470 -0.000 0.000 0.219 272 S C 0.674 175.268 174.600 -0.011 0.000 0.960 272 S CA 0.099 58.289 58.200 -0.017 0.000 0.925 272 S CB -0.258 62.942 63.200 0.000 0.000 0.775 272 S HN 0.396 nan 8.310 nan 0.000 0.525 273 T N 2.120 116.676 114.554 0.003 0.000 2.851 273 T HA 0.113 4.463 4.350 -0.000 0.000 0.298 273 T C 0.762 175.434 174.700 -0.046 0.000 0.977 273 T CA -0.180 61.943 62.100 0.038 0.000 1.126 273 T CB 1.258 70.243 68.868 0.194 0.000 0.916 273 T HN 0.167 nan 8.240 nan 0.000 0.529 274 D N 1.910 122.287 120.400 -0.040 0.000 2.431 274 D HA 0.026 4.666 4.640 -0.000 0.000 0.235 274 D C 0.505 176.730 176.300 -0.124 0.000 0.980 274 D CA 0.454 54.401 54.000 -0.089 0.000 0.912 274 D CB 0.332 41.081 40.800 -0.085 0.000 1.056 274 D HN 0.454 nan 8.370 nan 0.000 0.494 275 T N 2.100 116.583 114.554 -0.118 0.000 2.817 275 T HA 0.211 4.560 4.350 -0.000 0.000 0.295 275 T C -0.010 174.520 174.700 -0.284 0.000 0.958 275 T CA 0.004 61.952 62.100 -0.253 0.000 1.157 275 T CB 0.528 69.224 68.868 -0.286 0.000 0.898 275 T HN 0.019 nan 8.240 nan 0.000 0.536 276 I N 4.215 124.538 120.570 -0.412 0.000 2.406 276 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 276 I C -0.360 175.449 176.117 -0.513 0.000 0.999 276 I CA -1.297 59.801 61.300 -0.337 0.000 1.124 276 I CB 1.035 38.770 38.000 -0.441 0.000 1.289 276 I HN 0.503 nan 8.210 nan 0.000 0.441 277 F N 5.099 124.978 119.950 -0.119 0.000 2.411 277 F HA 0.338 4.865 4.527 -0.000 0.000 0.355 277 F C 0.573 176.165 175.800 -0.347 0.000 1.117 277 F CA -0.704 57.174 58.000 -0.203 0.000 1.139 277 F CB 1.285 40.267 39.000 -0.029 0.000 1.120 277 F HN 0.056 nan 8.300 nan 0.000 0.493 278 V N 4.153 123.772 119.914 -0.493 0.000 2.339 278 V HA 0.218 4.338 4.120 -0.000 0.000 0.261 278 V C -0.073 175.832 176.094 -0.316 0.000 1.058 278 V CA -0.579 61.383 62.300 -0.563 0.000 0.897 278 V CB 0.156 31.314 31.823 -1.107 0.000 1.052 278 V HN 0.712 nan 8.190 nan 0.000 0.480 279 E N 4.219 124.331 120.200 -0.147 0.000 2.207 279 E HA 0.668 5.018 4.350 -0.000 0.000 0.270 279 E C -0.392 176.144 176.600 -0.107 0.000 0.927 279 E CA -0.915 55.436 56.400 -0.082 0.000 0.799 279 E CB 2.596 32.251 29.700 -0.075 0.000 1.172 279 E HN 0.498 nan 8.360 nan 0.000 0.404 280 R N 2.368 122.805 120.500 -0.105 0.000 2.514 280 R HA 0.255 4.595 4.340 -0.000 0.000 0.296 280 R C -1.150 175.072 176.300 -0.130 0.000 1.012 280 R CA -0.609 55.345 56.100 -0.243 0.000 0.897 280 R CB 0.997 31.116 30.300 -0.301 0.000 1.184 280 R HN 0.381 nan 8.270 nan 0.000 0.440 281 K N 2.528 122.860 120.400 -0.114 0.000 2.183 281 K HA 0.282 4.602 4.320 -0.000 0.000 0.274 281 K C -0.874 175.722 176.600 -0.006 0.000 1.009 281 K CA -0.422 55.851 56.287 -0.022 0.000 0.888 281 K CB 2.028 34.547 32.500 0.032 0.000 1.078 281 K HN 0.452 nan 8.250 nan 0.000 0.459 282 T N 2.271 116.838 114.554 0.022 0.000 2.864 282 T HA 0.083 4.433 4.350 -0.000 0.000 0.310 282 T C -0.712 174.026 174.700 0.064 0.000 1.040 282 T CA -0.642 61.483 62.100 0.042 0.000 0.977 282 T CB 0.182 69.061 68.868 0.018 0.000 0.976 282 T HN 0.480 nan 8.240 nan 0.000 0.459 283 H N 3.167 122.240 119.070 0.005 0.000 2.732 283 H HA 0.455 5.010 4.556 -0.000 0.000 0.351 283 H C -0.003 175.297 175.328 -0.048 0.000 1.090 283 H CA -0.029 56.012 56.048 -0.011 0.000 1.431 283 H CB 0.507 30.274 29.762 0.008 0.000 1.447 283 H HN 0.434 nan 8.280 nan 0.000 0.582 284 R N 4.055 124.090 120.500 -0.775 0.000 2.514 284 R HA 0.170 4.510 4.340 -0.000 0.000 0.296 284 R C -0.521 175.256 176.300 -0.872 0.000 1.012 284 R CA -1.001 54.686 56.100 -0.689 0.000 0.897 284 R CB 1.637 31.710 30.300 -0.378 0.000 1.184 284 R HN 0.679 nan 8.270 nan 0.000 0.440 285 E N 1.733 121.420 120.200 -0.856 0.000 2.436 285 E HA -0.087 4.263 4.350 -0.000 0.000 0.262 285 E C 0.292 176.487 176.600 -0.675 0.000 1.063 285 E CA 0.422 56.395 56.400 -0.713 0.000 0.944 285 E CB 0.689 29.851 29.700 -0.896 0.000 0.950 285 E HN 0.469 nan 8.360 nan 0.000 0.444 286 D N 1.677 121.863 120.400 -0.357 0.000 2.178 286 D HA -0.157 4.483 4.640 -0.000 0.000 0.201 286 D C 1.765 177.978 176.300 -0.146 0.000 0.980 286 D CA 0.833 54.721 54.000 -0.187 0.000 0.842 286 D CB -0.143 40.637 40.800 -0.033 0.000 0.948 286 D HN 0.654 nan 8.370 nan 0.000 0.472 287 W N 1.799 123.091 121.300 -0.014 0.000 2.848 287 W HA -0.045 4.615 4.660 -0.000 0.000 0.241 287 W C 1.068 177.577 176.519 -0.017 0.000 1.289 287 W CA 1.159 58.497 57.345 -0.011 0.000 1.396 287 W CB -1.395 28.063 29.460 -0.004 0.000 1.138 287 W HN -0.044 nan 8.180 nan 0.000 0.677 288 T N -2.700 111.652 114.554 -0.337 0.000 3.067 288 T HA 0.296 4.646 4.350 -0.000 0.000 0.257 288 T C 1.922 176.567 174.700 -0.092 0.000 1.105 288 T CA 1.159 63.108 62.100 -0.250 0.000 1.104 288 T CB -0.317 68.237 68.868 -0.524 0.000 0.925 288 T HN 0.399 nan 8.240 nan 0.000 0.498 289 G N 1.105 109.851 108.800 -0.090 0.000 2.304 289 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.252 289 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.252 289 G C 0.072 174.923 174.900 -0.082 0.000 1.014 289 G CA 0.272 45.340 45.100 -0.054 0.000 0.619 289 G HN 0.622 nan 8.290 nan 0.000 0.525 290 E N 0.372 120.498 120.200 -0.123 0.000 2.322 290 E HA 0.654 5.004 4.350 -0.000 0.000 0.257 290 E C 0.098 176.613 176.600 -0.142 0.000 1.155 290 E CA -0.327 56.002 56.400 -0.119 0.000 0.936 290 E CB 1.273 30.899 29.700 -0.124 0.000 1.130 290 E HN 0.416 nan 8.360 nan 0.000 0.465 291 K N -0.361 119.972 120.400 -0.111 0.000 2.385 291 K HA 0.326 4.646 4.320 -0.000 0.000 0.248 291 K C -0.632 175.914 176.600 -0.090 0.000 0.955 291 K CA -0.533 55.692 56.287 -0.102 0.000 0.816 291 K CB 1.593 34.058 32.500 -0.059 0.000 1.250 291 K HN 0.326 nan 8.250 nan 0.000 0.434 292 S N 0.825 116.478 115.700 -0.078 0.000 2.559 292 S HA 0.084 4.554 4.470 -0.000 0.000 0.282 292 S C -0.444 174.151 174.600 -0.008 0.000 1.336 292 S CA -0.490 57.689 58.200 -0.035 0.000 1.037 292 S CB 0.521 63.755 63.200 0.056 0.000 0.853 292 S HN 0.318 nan 8.310 nan 0.000 0.523 293 V N 2.390 122.305 119.914 0.002 0.000 2.876 293 V HA 0.561 4.681 4.120 -0.000 0.000 0.312 293 V C -0.222 175.882 176.094 0.017 0.000 1.085 293 V CA -0.870 61.435 62.300 0.008 0.000 0.945 293 V CB 2.140 33.963 31.823 -0.000 0.000 1.017 293 V HN 0.799 nan 8.190 nan 0.000 0.428 294 K N 2.152 122.563 120.400 0.019 0.000 2.345 294 K HA 0.864 5.184 4.320 -0.000 0.000 0.255 294 K C -0.949 175.664 176.600 0.023 0.000 0.934 294 K CA -0.344 55.953 56.287 0.017 0.000 0.801 294 K CB 1.912 34.424 32.500 0.020 0.000 1.137 294 K HN 0.975 nan 8.250 nan 0.000 0.424 295 A N 3.640 126.476 122.820 0.028 0.000 2.498 295 A HA 0.793 5.113 4.320 -0.000 0.000 0.298 295 A C -1.400 176.232 177.584 0.079 0.000 1.075 295 A CA -0.913 51.160 52.037 0.060 0.000 0.714 295 A CB 1.501 20.546 19.000 0.074 0.000 1.299 295 A HN 0.883 nan 8.150 nan 0.000 0.407 296 R N -0.096 120.482 120.500 0.129 0.000 2.752 296 R HA 0.766 5.106 4.340 -0.000 0.000 0.271 296 R C -1.923 174.560 176.300 0.305 0.000 1.026 296 R CA -0.485 55.703 56.100 0.147 0.000 0.901 296 R CB 0.947 31.305 30.300 0.097 0.000 1.243 296 R HN 1.185 nan 8.270 nan 0.000 0.463 297 F N -1.399 118.659 119.950 0.180 0.000 2.629 297 F HA 0.898 5.425 4.527 -0.000 0.000 0.316 297 F C -1.347 174.494 175.800 0.068 0.000 1.081 297 F CA -1.175 56.932 58.000 0.178 0.000 0.954 297 F CB 1.529 40.671 39.000 0.238 0.000 1.337 297 F HN 0.777 nan 8.300 nan 0.000 0.474 298 A N 2.389 125.259 122.820 0.084 0.000 2.305 298 A HA 0.804 5.124 4.320 -0.000 0.000 0.322 298 A C -1.318 176.107 177.584 -0.265 0.000 1.187 298 A CA -0.712 51.145 52.037 -0.300 0.000 0.825 298 A CB 0.888 19.683 19.000 -0.342 0.000 1.164 298 A HN 0.863 nan 8.150 nan 0.000 0.498 299 L N 1.664 122.638 121.223 -0.415 0.000 2.370 299 L HA 0.432 4.772 4.340 -0.000 0.000 0.266 299 L C -0.162 176.509 176.870 -0.332 0.000 1.002 299 L CA -0.809 53.819 54.840 -0.354 0.000 0.818 299 L CB 2.400 44.199 42.059 -0.434 0.000 1.325 299 L HN 0.752 nan 8.230 nan 0.000 0.418 300 K N 1.695 121.953 120.400 -0.237 0.000 2.270 300 K HA 0.039 4.359 4.320 -0.000 0.000 0.276 300 K C 0.741 177.156 176.600 -0.309 0.000 1.023 300 K CA -0.371 55.774 56.287 -0.237 0.000 0.955 300 K CB 1.078 33.469 32.500 -0.181 0.000 0.975 300 K HN 0.487 nan 8.250 nan 0.000 0.471 301 E N 3.585 123.627 120.200 -0.263 0.000 2.219 301 E HA -0.241 4.109 4.350 -0.000 0.000 0.198 301 E C 1.304 177.771 176.600 -0.222 0.000 0.998 301 E CA 1.579 57.849 56.400 -0.217 0.000 0.818 301 E CB 0.198 29.849 29.700 -0.082 0.000 0.741 301 E HN 0.472 nan 8.360 nan 0.000 0.477 302 R N -0.586 119.715 120.500 -0.331 0.000 2.096 302 R HA -0.141 4.199 4.340 -0.000 0.000 0.240 302 R C 2.166 178.214 176.300 -0.420 0.000 1.139 302 R CA 1.700 57.550 56.100 -0.415 0.000 0.952 302 R CB -0.372 29.532 30.300 -0.659 0.000 0.854 302 R HN 0.337 nan 8.270 nan 0.000 0.436 303 H N -0.475 118.425 119.070 -0.284 0.000 2.539 303 H HA 0.130 4.686 4.556 -0.000 0.000 0.269 303 H C 1.933 177.051 175.328 -0.349 0.000 0.980 303 H CA 0.156 55.935 56.048 -0.448 0.000 1.152 303 H CB 0.146 29.306 29.762 -1.003 0.000 1.407 303 H HN 0.000 nan 8.280 nan 0.000 0.564 304 V N 1.770 121.535 119.914 -0.249 0.000 2.220 304 V HA -0.315 3.804 4.120 -0.000 0.000 0.246 304 V C 2.198 178.252 176.094 -0.066 0.000 1.049 304 V CA 1.911 64.020 62.300 -0.318 0.000 1.003 304 V CB -0.320 31.011 31.823 -0.821 0.000 0.634 304 V HN 0.434 nan 8.190 nan 0.000 0.444 305 N N 0.458 119.179 118.700 0.035 0.000 2.037 305 N HA -0.205 4.535 4.740 -0.000 0.000 0.196 305 N C 1.548 177.139 175.510 0.136 0.000 1.034 305 N CA 1.953 55.093 53.050 0.150 0.000 0.861 305 N CB -0.685 37.910 38.487 0.181 0.000 1.039 305 N HN 0.514 nan 8.380 nan 0.000 0.427 306 D N -0.152 120.327 120.400 0.131 0.000 2.182 306 D HA -0.133 4.506 4.640 -0.000 0.000 0.201 306 D C 1.717 178.152 176.300 0.225 0.000 0.986 306 D CA 0.453 54.560 54.000 0.179 0.000 0.847 306 D CB -0.348 40.597 40.800 0.243 0.000 0.942 306 D HN 0.271 nan 8.370 nan 0.000 0.467 307 F N 1.083 121.072 119.950 0.065 0.000 2.187 307 F HA 0.006 4.533 4.527 -0.000 0.000 0.295 307 F C 2.064 177.908 175.800 0.072 0.000 1.091 307 F CA 0.723 58.782 58.000 0.098 0.000 1.308 307 F CB -0.160 38.860 39.000 0.034 0.000 1.030 307 F HN -0.163 nan 8.300 nan 0.000 0.487 308 L N -0.088 121.178 121.223 0.071 0.000 2.191 308 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 308 L C 1.751 178.586 176.870 -0.059 0.000 1.103 308 L CA 1.070 55.895 54.840 -0.025 0.000 0.769 308 L CB -0.521 41.600 42.059 0.102 0.000 0.908 308 L HN 0.004 nan 8.230 nan 0.000 0.438 309 K N -0.378 120.015 120.400 -0.011 0.000 2.367 309 K HA 0.207 4.527 4.320 -0.000 0.000 0.194 309 K C 1.182 177.763 176.600 -0.032 0.000 1.027 309 K CA 0.651 56.939 56.287 0.002 0.000 1.075 309 K CB 0.435 32.965 32.500 0.049 0.000 0.845 309 K HN 0.230 nan 8.250 nan 0.000 0.529 310 G N 0.745 109.498 108.800 -0.078 0.000 2.176 310 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.232 310 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.232 310 G C 0.778 175.675 174.900 -0.005 0.000 0.986 310 G CA 0.507 45.559 45.100 -0.080 0.000 0.643 310 G HN 0.357 nan 8.290 nan 0.000 0.522 311 K N -1.079 119.351 120.400 0.049 0.000 2.366 311 K HA 0.168 4.488 4.320 -0.000 0.000 0.198 311 K C 0.413 177.088 176.600 0.125 0.000 1.044 311 K CA 0.456 56.790 56.287 0.078 0.000 0.973 311 K CB 0.353 32.911 32.500 0.097 0.000 0.767 311 K HN 0.449 nan 8.250 nan 0.000 0.475 312 Y N 2.017 122.341 120.300 0.040 0.000 2.345 312 Y HA 0.073 4.623 4.550 -0.000 0.000 0.331 312 Y C -0.041 175.924 175.900 0.109 0.000 0.959 312 Y CA -0.997 57.148 58.100 0.076 0.000 1.204 312 Y CB 1.027 39.572 38.460 0.141 0.000 1.135 312 Y HN -0.052 nan 8.280 nan 0.000 0.477 313 T N 0.828 115.337 114.554 -0.075 0.000 2.899 313 T HA 0.195 4.545 4.350 -0.000 0.000 0.284 313 T C 1.152 175.934 174.700 0.137 0.000 1.004 313 T CA -0.606 61.508 62.100 0.025 0.000 1.043 313 T CB 1.375 70.210 68.868 -0.055 0.000 1.013 313 T HN 0.448 nan 8.240 nan 0.000 0.518 314 V N 1.399 121.441 119.914 0.213 0.000 2.380 314 V HA -0.176 3.944 4.120 -0.000 0.000 0.251 314 V C 2.535 178.762 176.094 0.222 0.000 1.063 314 V CA 2.397 64.867 62.300 0.283 0.000 1.055 314 V CB -1.193 30.754 31.823 0.207 0.000 0.657 314 V HN 1.090 nan 8.190 nan 0.000 0.455 315 D N -0.319 120.132 120.400 0.084 0.000 2.133 315 D HA -0.236 4.404 4.640 -0.000 0.000 0.195 315 D C 2.252 178.549 176.300 -0.004 0.000 0.997 315 D CA 1.757 55.778 54.000 0.036 0.000 0.840 315 D CB -0.068 40.720 40.800 -0.020 0.000 0.947 315 D HN 0.556 nan 8.370 nan 0.000 0.452 316 Q N -0.557 119.163 119.800 -0.134 0.000 2.083 316 Q HA -0.067 4.273 4.340 -0.000 0.000 0.198 316 Q C 2.444 178.370 176.000 -0.122 0.000 0.969 316 Q CA 1.075 56.713 55.803 -0.276 0.000 0.838 316 Q CB 0.072 28.333 28.738 -0.796 0.000 0.900 316 Q HN 0.209 nan 8.270 nan 0.000 0.436 317 V N 0.152 120.071 119.914 0.008 0.000 2.324 317 V HA -0.257 3.863 4.120 -0.000 0.000 0.250 317 V C 1.446 177.286 176.094 -0.423 0.000 1.060 317 V CA 1.877 64.093 62.300 -0.140 0.000 1.042 317 V CB -0.431 31.115 31.823 -0.462 0.000 0.650 317 V HN 0.319 nan 8.190 nan 0.000 0.450 318 F N -0.722 119.217 119.950 -0.019 0.000 2.678 318 F HA 0.483 5.010 4.527 -0.000 0.000 0.305 318 F C 2.043 177.828 175.800 -0.026 0.000 1.090 318 F CA 0.432 58.413 58.000 -0.031 0.000 1.272 318 F CB -0.422 38.543 39.000 -0.058 0.000 1.060 318 F HN 0.006 nan 8.300 nan 0.000 0.576 319 A N 1.102 123.977 122.820 0.092 0.000 1.940 319 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 319 A C 2.193 179.796 177.584 0.032 0.000 1.176 319 A CA 1.677 53.740 52.037 0.042 0.000 0.631 319 A CB -0.485 18.511 19.000 -0.006 0.000 0.814 319 A HN 0.382 nan 8.150 nan 0.000 0.446 320 K N -0.949 119.462 120.400 0.018 0.000 2.211 320 K HA -0.034 4.285 4.320 -0.000 0.000 0.203 320 K C 2.026 178.645 176.600 0.032 0.000 1.050 320 K CA 1.490 57.785 56.287 0.014 0.000 0.945 320 K CB -0.260 32.238 32.500 -0.003 0.000 0.732 320 K HN 0.653 nan 8.250 nan 0.000 0.451 321 M N 0.852 120.491 119.600 0.064 0.000 2.357 321 M HA -0.020 4.460 4.480 -0.000 0.000 0.266 321 M C 1.876 178.222 176.300 0.075 0.000 1.095 321 M CA 1.049 56.401 55.300 0.088 0.000 1.156 321 M CB 0.241 32.942 32.600 0.168 0.000 1.365 321 M HN -0.054 nan 8.290 nan 0.000 0.447 322 R N 0.348 120.895 120.500 0.078 0.000 2.120 322 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 322 R C 2.181 178.499 176.300 0.030 0.000 1.123 322 R CA 1.346 57.474 56.100 0.047 0.000 0.975 322 R CB -0.436 29.888 30.300 0.041 0.000 0.866 322 R HN 0.403 nan 8.270 nan 0.000 0.446 323 K N 1.481 121.898 120.400 0.028 0.000 2.152 323 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 323 K C -0.090 176.520 176.600 0.017 0.000 1.048 323 K CA 1.089 57.387 56.287 0.018 0.000 0.933 323 K CB 0.164 32.673 32.500 0.015 0.000 0.721 323 K HN 0.225 nan 8.250 nan 0.000 0.447 324 E N -0.258 119.956 120.200 0.023 0.000 2.089 324 E HA 0.082 4.432 4.350 -0.000 0.000 0.284 324 E C 0.335 176.947 176.600 0.020 0.000 1.023 324 E CA -0.372 56.040 56.400 0.020 0.000 0.819 324 E CB 1.414 31.128 29.700 0.023 0.000 1.076 324 E HN 0.318 nan 8.360 nan 0.000 0.396 325 G N 2.872 111.680 108.800 0.015 0.000 2.916 325 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.205 325 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.205 325 G C 1.467 176.375 174.900 0.013 0.000 1.163 325 G CA 0.721 45.828 45.100 0.012 0.000 0.821 325 G HN 0.480 nan 8.290 nan 0.000 0.515 326 K N 0.934 121.344 120.400 0.017 0.000 1.967 326 K HA 0.074 4.394 4.320 -0.000 0.000 0.212 326 K C 1.424 178.035 176.600 0.019 0.000 1.044 326 K CA 1.338 57.635 56.287 0.017 0.000 0.942 326 K CB -0.546 31.966 32.500 0.020 0.000 0.726 326 K HN 0.411 nan 8.250 nan 0.000 0.440 327 K N 2.120 122.536 120.400 0.026 0.000 2.451 327 K HA 0.092 4.412 4.320 -0.000 0.000 0.280 327 K C -2.517 174.092 176.600 0.016 0.000 1.020 327 K CA -1.539 54.764 56.287 0.027 0.000 1.008 327 K CB 0.677 33.202 32.500 0.042 0.000 0.917 327 K HN 0.137 nan 8.250 nan 0.000 0.478 328 P HA -0.075 nan 4.420 nan 0.000 0.267 328 P C 0.651 177.947 177.300 -0.007 0.000 1.200 328 P CA -0.244 62.858 63.100 0.002 0.000 0.772 328 P CB 0.473 32.174 31.700 0.002 0.000 0.855 329 M N 2.613 122.207 119.600 -0.011 0.000 2.066 329 M HA -0.157 4.323 4.480 -0.000 0.000 0.259 329 M C 1.770 178.050 176.300 -0.034 0.000 1.074 329 M CA 2.016 57.304 55.300 -0.021 0.000 1.114 329 M CB -1.722 30.867 32.600 -0.019 0.000 1.306 329 M HN 0.489 nan 8.290 nan 0.000 0.411 330 N N 0.212 118.895 118.700 -0.029 0.000 2.348 330 N HA -0.216 4.524 4.740 -0.000 0.000 0.185 330 N C 1.414 176.899 175.510 -0.043 0.000 1.019 330 N CA 1.510 54.538 53.050 -0.036 0.000 0.880 330 N CB -0.552 37.920 38.487 -0.026 0.000 0.965 330 N HN 0.537 nan 8.380 nan 0.000 0.437 331 E N 0.026 120.206 120.200 -0.034 0.000 2.158 331 E HA 0.110 4.459 4.350 -0.000 0.000 0.191 331 E C 1.944 178.508 176.600 -0.059 0.000 0.982 331 E CA 0.372 56.754 56.400 -0.030 0.000 0.823 331 E CB 0.083 29.779 29.700 -0.006 0.000 0.766 331 E HN 0.414 nan 8.360 nan 0.000 0.468 332 I N 0.836 121.361 120.570 -0.074 0.000 2.353 332 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 332 I C 1.992 177.963 176.117 -0.244 0.000 1.119 332 I CA 0.937 62.154 61.300 -0.138 0.000 1.417 332 I CB -0.215 37.734 38.000 -0.086 0.000 1.078 332 I HN 0.093 nan 8.210 nan 0.000 0.421 333 E N 1.111 121.212 120.200 -0.166 0.000 2.077 333 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 333 E C 1.865 178.353 176.600 -0.187 0.000 0.989 333 E CA 1.281 57.579 56.400 -0.170 0.000 0.800 333 E CB -0.172 29.465 29.700 -0.104 0.000 0.746 333 E HN 0.456 nan 8.360 nan 0.000 0.452 334 N N 0.630 119.246 118.700 -0.139 0.000 2.104 334 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 334 N C 1.691 177.111 175.510 -0.150 0.000 1.024 334 N CA 0.863 53.848 53.050 -0.108 0.000 0.853 334 N CB -0.275 38.177 38.487 -0.057 0.000 1.008 334 N HN 0.048 nan 8.380 nan 0.000 0.424 335 L N 1.612 122.698 121.223 -0.228 0.000 2.083 335 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 335 L C 2.084 178.549 176.870 -0.674 0.000 1.083 335 L CA 1.416 56.063 54.840 -0.323 0.000 0.752 335 L CB -0.725 41.154 42.059 -0.300 0.000 0.899 335 L HN 0.239 nan 8.230 nan 0.000 0.433 336 E N -0.773 118.936 120.200 -0.818 0.000 2.047 336 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 336 E C 2.290 178.713 176.600 -0.296 0.000 0.987 336 E CA 1.050 57.028 56.400 -0.703 0.000 0.799 336 E CB -0.215 29.180 29.700 -0.508 0.000 0.752 336 E HN 0.488 nan 8.360 nan 0.000 0.449 337 A N 1.610 124.305 122.820 -0.208 0.000 1.865 337 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 337 A C 2.235 179.793 177.584 -0.043 0.000 1.191 337 A CA 1.484 53.461 52.037 -0.100 0.000 0.623 337 A CB -0.788 18.164 19.000 -0.080 0.000 0.826 337 A HN 0.262 nan 8.150 nan 0.000 0.444 338 L N -0.150 121.052 121.223 -0.034 0.000 2.013 338 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 338 L C 2.611 179.562 176.870 0.136 0.000 1.073 338 L CA 2.567 57.450 54.840 0.073 0.000 0.753 338 L CB -0.835 41.293 42.059 0.116 0.000 0.890 338 L HN 0.352 nan 8.230 nan 0.000 0.432 339 A N -1.484 121.314 122.820 -0.036 0.000 1.933 339 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 339 A C 2.374 180.109 177.584 0.252 0.000 1.175 339 A CA 1.962 53.954 52.037 -0.076 0.000 0.628 339 A CB -0.913 17.776 19.000 -0.519 0.000 0.814 339 A HN 0.574 nan 8.150 nan 0.000 0.444 340 S N -0.300 115.475 115.700 0.126 0.000 2.345 340 S HA -0.146 4.324 4.470 -0.000 0.000 0.220 340 S C 1.828 176.524 174.600 0.159 0.000 1.031 340 S CA 1.409 59.684 58.200 0.125 0.000 0.996 340 S CB -0.357 62.864 63.200 0.035 0.000 0.882 340 S HN 0.708 nan 8.310 nan 0.000 0.445 341 E N 0.669 120.951 120.200 0.137 0.000 2.160 341 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 341 E C 1.903 178.675 176.600 0.286 0.000 0.991 341 E CA 1.004 57.508 56.400 0.174 0.000 0.810 341 E CB -0.290 29.491 29.700 0.135 0.000 0.742 341 E HN 0.497 nan 8.360 nan 0.000 0.466 342 I N 0.653 121.419 120.570 0.328 0.000 2.162 342 I HA -0.261 3.909 4.170 -0.000 0.000 0.238 342 I C 2.785 179.029 176.117 0.211 0.000 1.076 342 I CA 0.995 62.517 61.300 0.371 0.000 1.353 342 I CB -0.280 38.039 38.000 0.531 0.000 1.063 342 I HN 0.093 nan 8.210 nan 0.000 0.408 343 Q N 0.195 120.119 119.800 0.205 0.000 2.197 343 Q HA -0.290 4.050 4.340 -0.000 0.000 0.207 343 Q C 2.182 178.168 176.000 -0.023 0.000 0.984 343 Q CA 1.948 57.685 55.803 -0.110 0.000 0.869 343 Q CB -0.202 28.317 28.738 -0.366 0.000 0.906 343 Q HN 0.497 nan 8.270 nan 0.000 0.426 344 Y N 0.434 120.717 120.300 -0.029 0.000 2.060 344 Y HA -0.263 4.287 4.550 -0.000 0.000 0.276 344 Y C 2.189 178.074 175.900 -0.024 0.000 1.127 344 Y CA 2.093 60.182 58.100 -0.019 0.000 1.104 344 Y CB -0.755 37.714 38.460 0.015 0.000 0.983 344 Y HN 0.085 nan 8.280 nan 0.000 0.483 345 V N -0.741 119.172 119.914 -0.001 0.000 2.594 345 V HA -0.259 3.861 4.120 -0.000 0.000 0.253 345 V C 2.146 178.134 176.094 -0.176 0.000 1.069 345 V CA 2.065 64.287 62.300 -0.131 0.000 1.082 345 V CB -1.008 30.817 31.823 0.003 0.000 0.680 345 V HN 0.587 nan 8.190 nan 0.000 0.469 346 M N -0.155 119.344 119.600 -0.168 0.000 2.279 346 M HA 0.048 4.528 4.480 -0.000 0.000 0.264 346 M C 1.682 177.931 176.300 -0.085 0.000 1.062 346 M CA 1.955 57.172 55.300 -0.138 0.000 1.099 346 M CB -0.382 32.134 32.600 -0.139 0.000 1.394 346 M HN 0.434 nan 8.290 nan 0.000 0.426 347 L N -1.757 119.386 121.223 -0.133 0.000 2.349 347 L HA 0.032 4.371 4.340 -0.000 0.000 0.200 347 L C 2.288 179.073 176.870 -0.143 0.000 1.064 347 L CA 0.519 55.289 54.840 -0.116 0.000 0.821 347 L CB -0.611 41.374 42.059 -0.122 0.000 1.027 347 L HN 0.146 nan 8.230 nan 0.000 0.476 348 K N 1.009 121.248 120.400 -0.269 0.000 2.057 348 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 348 K C 1.684 178.202 176.600 -0.138 0.000 1.049 348 K CA 1.441 57.565 56.287 -0.272 0.000 0.931 348 K CB 0.154 32.333 32.500 -0.535 0.000 0.714 348 K HN 0.116 nan 8.250 nan 0.000 0.440 349 K N 0.769 121.104 120.400 -0.108 0.000 2.444 349 K HA 0.047 4.367 4.320 -0.000 0.000 0.193 349 K C -0.577 176.036 176.600 0.021 0.000 1.024 349 K CA 0.147 56.421 56.287 -0.022 0.000 1.077 349 K CB 0.315 32.819 32.500 0.007 0.000 0.833 349 K HN 0.124 nan 8.250 nan 0.000 0.517 350 K N 1.498 121.902 120.400 0.007 0.000 3.653 350 K HA -0.176 4.144 4.320 -0.000 0.000 0.275 350 K C -0.503 176.163 176.600 0.110 0.000 0.962 350 K CA 0.346 56.663 56.287 0.050 0.000 0.773 350 K CB -1.838 30.693 32.500 0.053 0.000 1.463 350 K HN 0.235 nan 8.250 nan 0.000 0.450 351 L N 0.922 122.226 121.223 0.135 0.000 2.421 351 L HA 0.499 4.839 4.340 -0.000 0.000 0.263 351 L C 0.853 177.921 176.870 0.330 0.000 1.122 351 L CA -0.464 54.524 54.840 0.247 0.000 0.804 351 L CB 0.910 43.132 42.059 0.273 0.000 1.150 351 L HN 0.423 nan 8.230 nan 0.000 0.457 352 R N 0.660 121.318 120.500 0.264 0.000 2.716 352 R HA 0.540 4.880 4.340 -0.000 0.000 0.271 352 R C -3.043 172.801 176.300 -0.759 0.000 1.028 352 R CA -2.023 54.047 56.100 -0.051 0.000 0.883 352 R CB 0.781 31.051 30.300 -0.051 0.000 1.250 352 R HN 0.133 nan 8.270 nan 0.000 0.465 353 P HA -0.031 nan 4.420 nan 0.000 0.263 353 P C -0.216 176.822 177.300 -0.437 0.000 1.195 353 P CA -0.097 62.413 63.100 -0.983 0.000 0.762 353 P CB 0.900 32.284 31.700 -0.527 0.000 0.799 354 V N 3.653 123.434 119.914 -0.221 0.000 3.058 354 V HA 0.148 4.268 4.120 -0.000 0.000 0.233 354 V C 0.579 176.694 176.094 0.036 0.000 1.255 354 V CA 0.473 62.752 62.300 -0.035 0.000 1.267 354 V CB 0.809 32.740 31.823 0.180 0.000 1.049 354 V HN 0.324 nan 8.190 nan 0.000 0.486 355 V N 0.954 120.954 119.914 0.143 0.000 2.808 355 V HA 0.559 4.679 4.120 -0.000 0.000 0.308 355 V C -0.930 175.303 176.094 0.232 0.000 1.099 355 V CA -0.679 61.724 62.300 0.172 0.000 0.920 355 V CB 2.149 34.101 31.823 0.216 0.000 1.014 355 V HN 0.409 nan 8.190 nan 0.000 0.425 356 R N 3.452 124.042 120.500 0.150 0.000 2.428 356 R HA 0.699 5.039 4.340 -0.000 0.000 0.294 356 R C -0.503 175.921 176.300 0.207 0.000 1.000 356 R CA 0.020 56.208 56.100 0.147 0.000 0.960 356 R CB 1.652 31.968 30.300 0.026 0.000 1.076 356 R HN 0.861 nan 8.270 nan 0.000 0.475 357 S N 4.851 120.699 115.700 0.248 0.000 2.669 357 S HA 0.364 4.834 4.470 -0.000 0.000 0.315 357 S C -0.878 173.869 174.600 0.245 0.000 1.106 357 S CA -0.784 57.596 58.200 0.300 0.000 1.107 357 S CB 0.623 64.076 63.200 0.422 0.000 0.990 357 S HN 0.504 nan 8.310 nan 0.000 0.471 358 F N 5.157 125.191 119.950 0.140 0.000 2.492 358 F HA 0.863 5.390 4.527 -0.000 0.000 0.327 358 F C -1.156 174.787 175.800 0.238 0.000 1.079 358 F CA -0.835 57.199 58.000 0.058 0.000 0.967 358 F CB 1.367 40.452 39.000 0.142 0.000 1.169 358 F HN 0.783 nan 8.300 nan 0.000 0.472 359 Y N 0.992 120.540 120.300 -1.253 0.000 2.661 359 Y HA 0.358 4.907 4.550 -0.000 0.000 0.339 359 Y C -2.143 173.207 175.900 -0.916 0.000 1.186 359 Y CA -1.808 55.687 58.100 -1.009 0.000 1.137 359 Y CB 0.252 38.474 38.460 -0.396 0.000 1.354 359 Y HN 0.597 nan 8.280 nan 0.000 0.469 360 N N 1.872 120.270 118.700 -0.503 0.000 2.434 360 N HA 0.481 5.221 4.740 -0.000 0.000 0.272 360 N C -1.161 174.306 175.510 -0.072 0.000 1.040 360 N CA -0.937 51.929 53.050 -0.305 0.000 0.956 360 N CB 1.179 39.521 38.487 -0.241 0.000 1.108 360 N HN 0.620 nan 8.380 nan 0.000 0.481 361 R N 1.436 121.892 120.500 -0.074 0.000 2.514 361 R HA 0.468 4.808 4.340 -0.000 0.000 0.301 361 R C -1.258 174.981 176.300 -0.102 0.000 0.962 361 R CA -0.410 55.693 56.100 0.004 0.000 0.882 361 R CB 0.994 31.339 30.300 0.076 0.000 1.143 361 R HN 0.403 nan 8.270 nan 0.000 0.452 362 T N 2.626 117.113 114.554 -0.112 0.000 2.824 362 T HA 0.630 4.980 4.350 -0.000 0.000 0.282 362 T C -0.954 173.455 174.700 -0.485 0.000 0.993 362 T CA -0.600 61.313 62.100 -0.311 0.000 0.967 362 T CB 1.688 70.384 68.868 -0.286 0.000 0.960 362 T HN 0.706 nan 8.240 nan 0.000 0.441 363 A N 2.948 125.406 122.820 -0.604 0.000 2.340 363 A HA 0.934 5.254 4.320 -0.000 0.000 0.331 363 A C -1.187 175.995 177.584 -0.671 0.000 1.140 363 A CA -0.741 51.027 52.037 -0.448 0.000 0.801 363 A CB 0.683 19.555 19.000 -0.214 0.000 1.234 363 A HN 0.746 nan 8.150 nan 0.000 0.469 364 F N 0.084 120.051 119.950 0.027 0.000 2.565 364 F HA 0.747 5.274 4.527 -0.000 0.000 0.313 364 F C 0.054 175.890 175.800 0.060 0.000 1.091 364 F CA -0.345 57.681 58.000 0.043 0.000 0.915 364 F CB 2.345 41.381 39.000 0.059 0.000 1.208 364 F HN 0.685 nan 8.300 nan 0.000 0.453 365 Q N 2.681 122.612 119.800 0.218 0.000 2.518 365 Q HA 0.325 4.665 4.340 -0.000 0.000 0.254 365 Q C -2.235 173.835 176.000 0.117 0.000 0.962 365 Q CA -0.912 54.987 55.803 0.160 0.000 0.982 365 Q CB 2.234 31.038 28.738 0.109 0.000 1.516 365 Q HN 0.794 nan 8.270 nan 0.000 0.426 366 L N 5.519 126.811 121.223 0.115 0.000 2.369 366 L HA 0.453 4.793 4.340 -0.000 0.000 0.279 366 L C -2.385 174.520 176.870 0.058 0.000 1.108 366 L CA -0.994 53.895 54.840 0.081 0.000 0.852 366 L CB 0.510 42.622 42.059 0.088 0.000 1.169 366 L HN 0.453 nan 8.230 nan 0.000 0.452 367 P HA 0.175 nan 4.420 nan 0.000 0.262 367 P C 0.585 177.899 177.300 0.024 0.000 1.182 367 P CA 0.933 64.052 63.100 0.031 0.000 0.761 367 P CB 0.531 32.246 31.700 0.025 0.000 0.795 368 G N 1.299 110.109 108.800 0.016 0.000 2.143 368 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.248 368 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.248 368 G C -0.250 174.652 174.900 0.002 0.000 0.991 368 G CA 0.116 45.220 45.100 0.007 0.000 0.689 368 G HN 0.675 nan 8.290 nan 0.000 0.522 369 D N -0.891 119.515 120.400 0.010 0.000 2.602 369 D HA 0.677 5.317 4.640 -0.000 0.000 0.245 369 D C 0.496 176.801 176.300 0.008 0.000 1.325 369 D CA 0.316 54.320 54.000 0.008 0.000 0.952 369 D CB 0.933 41.753 40.800 0.034 0.000 1.317 369 D HN 0.496 nan 8.370 nan 0.000 0.577 370 A N 3.974 126.778 122.820 -0.027 0.000 2.430 370 A HA 0.151 4.471 4.320 -0.000 0.000 0.243 370 A C 1.754 179.316 177.584 -0.037 0.000 1.254 370 A CA -0.110 51.908 52.037 -0.031 0.000 0.914 370 A CB 0.045 19.003 19.000 -0.068 0.000 0.998 370 A HN 0.542 nan 8.150 nan 0.000 0.515 371 R N -0.936 119.544 120.500 -0.034 0.000 2.170 371 R HA -0.031 4.309 4.340 -0.000 0.000 0.242 371 R C 0.238 176.522 176.300 -0.026 0.000 1.145 371 R CA 1.543 57.621 56.100 -0.037 0.000 0.984 371 R CB -0.100 30.183 30.300 -0.028 0.000 0.869 371 R HN 0.366 nan 8.270 nan 0.000 0.455 372 V N 0.370 120.290 119.914 0.010 0.000 2.752 372 V HA 0.395 4.515 4.120 -0.000 0.000 0.302 372 V C -1.705 174.438 176.094 0.082 0.000 1.133 372 V CA -0.904 61.406 62.300 0.017 0.000 0.919 372 V CB 1.921 33.728 31.823 -0.026 0.000 1.026 372 V HN 0.072 nan 8.190 nan 0.000 0.429 373 R N 6.522 127.069 120.500 0.079 0.000 2.514 373 R HA 0.729 5.069 4.340 -0.000 0.000 0.296 373 R C -1.140 175.243 176.300 0.138 0.000 1.012 373 R CA -0.427 55.743 56.100 0.116 0.000 0.897 373 R CB 2.204 32.553 30.300 0.083 0.000 1.184 373 R HN 0.715 nan 8.270 nan 0.000 0.440 374 I N 1.142 121.845 120.570 0.221 0.000 2.693 374 I HA 0.525 4.695 4.170 -0.000 0.000 0.303 374 I C -0.155 176.179 176.117 0.362 0.000 1.025 374 I CA -0.873 60.577 61.300 0.251 0.000 1.086 374 I CB 2.355 40.479 38.000 0.206 0.000 1.268 374 I HN 0.624 nan 8.210 nan 0.000 0.440 375 S N 4.866 120.739 115.700 0.289 0.000 2.548 375 S HA 0.714 5.184 4.470 -0.000 0.000 0.276 375 S C -1.382 173.367 174.600 0.249 0.000 1.129 375 S CA -0.709 57.644 58.200 0.254 0.000 0.931 375 S CB 2.136 65.406 63.200 0.117 0.000 1.068 375 S HN 0.496 nan 8.310 nan 0.000 0.480 376 L N 2.502 123.896 121.223 0.284 0.000 2.343 376 L HA 0.653 4.993 4.340 -0.000 0.000 0.278 376 L C -1.746 175.185 176.870 0.102 0.000 0.996 376 L CA -0.140 54.823 54.840 0.206 0.000 0.831 376 L CB 1.576 43.816 42.059 0.302 0.000 1.232 376 L HN 0.760 nan 8.230 nan 0.000 0.413 377 D N 3.593 124.011 120.400 0.030 0.000 2.303 377 D HA 0.527 5.166 4.640 -0.000 0.000 0.236 377 D C -0.129 176.152 176.300 -0.030 0.000 1.068 377 D CA -0.030 53.957 54.000 -0.021 0.000 0.830 377 D CB 1.756 42.387 40.800 -0.282 0.000 1.109 377 D HN 0.629 nan 8.370 nan 0.000 0.496 378 T N -1.739 112.792 114.554 -0.038 0.000 2.940 378 T HA 0.351 4.701 4.350 -0.000 0.000 0.288 378 T C 0.117 174.704 174.700 -0.188 0.000 1.045 378 T CA -0.946 61.099 62.100 -0.091 0.000 1.018 378 T CB 1.529 70.332 68.868 -0.109 0.000 1.151 378 T HN 0.384 nan 8.240 nan 0.000 0.529 379 E N -0.174 119.880 120.200 -0.243 0.000 2.149 379 E HA -0.237 4.112 4.350 -0.000 0.000 0.191 379 E C -0.469 176.115 176.600 -0.026 0.000 1.384 379 E CA -0.003 56.195 56.400 -0.335 0.000 0.698 379 E CB -2.037 26.794 29.700 -1.449 0.000 1.086 379 E HN 0.617 nan 8.360 nan 0.000 0.338 380 L N 0.927 122.224 121.223 0.123 0.000 2.416 380 L HA 0.318 4.657 4.340 -0.000 0.000 0.272 380 L C -0.160 176.943 176.870 0.388 0.000 1.161 380 L CA 0.689 55.649 54.840 0.200 0.000 0.845 380 L CB 1.175 43.270 42.059 0.060 0.000 1.119 380 L HN 0.272 nan 8.230 nan 0.000 0.464 381 T N 5.738 120.561 114.554 0.449 0.000 2.993 381 T HA 0.586 4.936 4.350 -0.000 0.000 0.312 381 T C -0.775 174.140 174.700 0.358 0.000 1.115 381 T CA -0.472 61.923 62.100 0.492 0.000 1.027 381 T CB 1.427 70.740 68.868 0.741 0.000 1.116 381 T HN 0.472 nan 8.240 nan 0.000 0.464 382 M N 2.901 122.665 119.600 0.273 0.000 2.243 382 M HA 0.680 5.160 4.480 -0.000 0.000 0.324 382 M C -0.604 175.764 176.300 0.114 0.000 1.031 382 M CA -0.772 54.642 55.300 0.189 0.000 0.949 382 M CB 1.982 34.686 32.600 0.172 0.000 1.615 382 M HN 0.426 nan 8.290 nan 0.000 0.430 383 V N 3.716 123.662 119.914 0.054 0.000 2.656 383 V HA 0.635 4.755 4.120 -0.000 0.000 0.307 383 V C -0.433 175.649 176.094 -0.019 0.000 1.051 383 V CA -0.826 61.467 62.300 -0.012 0.000 0.893 383 V CB 1.896 33.655 31.823 -0.107 0.000 0.999 383 V HN 0.868 nan 8.190 nan 0.000 0.426 384 R N 3.549 124.029 120.500 -0.033 0.000 2.640 384 R HA 0.161 4.501 4.340 -0.000 0.000 0.270 384 R C -0.091 176.158 176.300 -0.084 0.000 1.024 384 R CA 0.330 56.401 56.100 -0.049 0.000 1.085 384 R CB 0.492 30.758 30.300 -0.057 0.000 0.963 384 R HN 0.838 nan 8.270 nan 0.000 0.426 385 E N 0.545 120.683 120.200 -0.104 0.000 2.702 385 E HA 0.001 4.351 4.350 -0.000 0.000 0.225 385 E C -0.663 175.797 176.600 -0.234 0.000 0.942 385 E CA -0.018 56.292 56.400 -0.150 0.000 1.210 385 E CB 0.362 29.991 29.700 -0.118 0.000 1.143 385 E HN 0.630 nan 8.360 nan 0.000 0.544 386 D N -0.258 119.977 120.400 -0.276 0.000 2.511 386 D HA 0.068 4.708 4.640 -0.000 0.000 0.276 386 D C 0.418 176.423 176.300 -0.491 0.000 1.220 386 D CA -0.348 53.345 54.000 -0.512 0.000 1.077 386 D CB 0.513 40.888 40.800 -0.708 0.000 1.126 386 D HN 0.036 nan 8.370 nan 0.000 0.583 387 N N -1.605 116.672 118.700 -0.705 0.000 2.307 387 N HA 0.044 4.784 4.740 -0.000 0.000 0.248 387 N C -0.818 174.525 175.510 -0.279 0.000 1.322 387 N CA -0.535 52.275 53.050 -0.402 0.000 0.861 387 N CB -0.717 37.595 38.487 -0.292 0.000 1.303 387 N HN 0.147 nan 8.380 nan 0.000 0.498 388 F N 1.027 120.949 119.950 -0.047 0.000 2.727 388 F HA 0.311 4.838 4.527 -0.000 0.000 0.349 388 F C 0.742 176.519 175.800 -0.038 0.000 1.172 388 F CA -0.503 57.475 58.000 -0.037 0.000 1.355 388 F CB -0.297 38.681 39.000 -0.037 0.000 1.546 388 F HN 0.108 nan 8.300 nan 0.000 0.596 389 D N -1.389 119.048 120.400 0.063 0.000 2.520 389 D HA 0.146 4.786 4.640 -0.000 0.000 0.386 389 D C 1.701 177.999 176.300 -0.004 0.000 1.267 389 D CA 0.855 54.868 54.000 0.022 0.000 0.958 389 D CB 0.153 40.947 40.800 -0.010 0.000 1.462 389 D HN 0.288 nan 8.370 nan 0.000 0.438 390 G N 0.380 109.174 108.800 -0.009 0.000 2.396 390 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.242 390 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.242 390 G C 0.404 175.272 174.900 -0.053 0.000 1.069 390 G CA 0.451 45.539 45.100 -0.021 0.000 0.633 390 G HN 0.457 nan 8.290 nan 0.000 0.517 391 V N 1.934 121.806 119.914 -0.071 0.000 2.521 391 V HA 0.384 4.504 4.120 -0.000 0.000 0.286 391 V C 0.412 176.404 176.094 -0.171 0.000 1.034 391 V CA 0.468 62.705 62.300 -0.106 0.000 1.045 391 V CB 1.542 33.307 31.823 -0.097 0.000 0.974 391 V HN 0.359 nan 8.190 nan 0.000 0.480 392 D N 4.203 124.464 120.400 -0.231 0.000 2.524 392 D HA 0.229 4.869 4.640 -0.000 0.000 0.222 392 D C 1.334 177.324 176.300 -0.517 0.000 1.142 392 D CA -0.240 53.560 54.000 -0.332 0.000 0.973 392 D CB 0.345 40.962 40.800 -0.305 0.000 1.025 392 D HN 0.415 nan 8.370 nan 0.000 0.519 393 R N 0.176 120.469 120.500 -0.345 0.000 2.189 393 R HA -0.064 4.276 4.340 -0.000 0.000 0.223 393 R C 1.821 177.960 176.300 -0.268 0.000 1.092 393 R CA 1.553 57.480 56.100 -0.288 0.000 0.989 393 R CB -0.011 30.169 30.300 -0.200 0.000 0.876 393 R HN 0.377 nan 8.270 nan 0.000 0.457 394 T N -3.894 110.501 114.554 -0.264 0.000 3.037 394 T HA -0.012 4.338 4.350 -0.000 0.000 0.252 394 T C 0.307 174.971 174.700 -0.059 0.000 1.073 394 T CA -0.182 61.822 62.100 -0.159 0.000 1.091 394 T CB 0.100 68.884 68.868 -0.139 0.000 0.935 394 T HN 0.248 nan 8.240 nan 0.000 0.488 395 H N 2.008 121.035 119.070 -0.071 0.000 2.677 395 H HA -0.156 4.400 4.556 -0.000 0.000 0.321 395 H C 1.172 176.481 175.328 -0.031 0.000 1.171 395 H CA 1.234 57.252 56.048 -0.049 0.000 1.139 395 H CB -2.259 27.473 29.762 -0.051 0.000 1.515 395 H HN 0.959 nan 8.280 nan 0.000 0.423 396 K N -1.276 119.152 120.400 0.046 0.000 3.230 396 K HA -0.287 4.032 4.320 -0.000 0.000 0.285 396 K C 0.283 176.931 176.600 0.080 0.000 1.196 396 K CA 2.302 58.623 56.287 0.057 0.000 0.838 396 K CB -2.600 29.939 32.500 0.066 0.000 1.262 396 K HN 1.171 nan 8.250 nan 0.000 0.492 397 N N -2.971 115.770 118.700 0.068 0.000 2.774 397 N HA 0.703 5.443 4.740 -0.000 0.000 0.264 397 N C 0.838 176.426 175.510 0.130 0.000 1.415 397 N CA -0.499 52.624 53.050 0.120 0.000 0.815 397 N CB 0.750 39.284 38.487 0.077 0.000 1.514 397 N HN 0.461 nan 8.380 nan 0.000 0.523 398 W N 0.525 121.883 121.300 0.097 0.000 2.825 398 W HA 0.164 4.824 4.660 -0.000 0.000 0.243 398 W C -0.507 176.089 176.519 0.128 0.000 1.293 398 W CA -0.100 57.356 57.345 0.186 0.000 1.403 398 W CB -0.671 28.938 29.460 0.248 0.000 1.134 398 W HN 0.657 nan 8.180 nan 0.000 0.666 399 R N -0.052 120.114 120.500 -0.557 0.000 2.629 399 R HA 0.482 4.822 4.340 -0.000 0.000 0.266 399 R C -0.627 175.444 176.300 -0.382 0.000 1.051 399 R CA -1.039 54.722 56.100 -0.564 0.000 0.895 399 R CB 0.903 30.563 30.300 -1.066 0.000 1.246 399 R HN -0.179 nan 8.270 nan 0.000 0.459 400 R N 0.630 120.982 120.500 -0.246 0.000 2.698 400 R HA 0.066 4.406 4.340 -0.000 0.000 0.266 400 R C 0.080 176.271 176.300 -0.181 0.000 1.026 400 R CA 0.806 56.800 56.100 -0.176 0.000 1.102 400 R CB 0.523 30.735 30.300 -0.145 0.000 0.978 400 R HN 0.715 nan 8.270 nan 0.000 0.436 401 T N 0.088 114.571 114.554 -0.118 0.000 2.990 401 T HA -0.054 4.296 4.350 -0.000 0.000 0.249 401 T C 0.715 175.374 174.700 -0.069 0.000 1.039 401 T CA 0.423 62.457 62.100 -0.110 0.000 1.036 401 T CB 0.095 68.910 68.868 -0.087 0.000 0.994 401 T HN 0.693 nan 8.240 nan 0.000 0.489 402 D N 2.163 122.534 120.400 -0.048 0.000 2.371 402 D HA 0.019 4.659 4.640 -0.000 0.000 0.221 402 D C 0.840 177.129 176.300 -0.019 0.000 0.986 402 D CA 0.209 54.192 54.000 -0.028 0.000 0.899 402 D CB -0.489 40.301 40.800 -0.017 0.000 0.902 402 D HN 0.625 nan 8.370 nan 0.000 0.530 403 I N -5.827 114.721 120.570 -0.037 0.000 3.174 403 I HA 0.799 4.969 4.170 -0.000 0.000 0.313 403 I C 0.237 176.365 176.117 0.018 0.000 1.155 403 I CA -1.194 60.109 61.300 0.006 0.000 0.977 403 I CB 2.221 40.163 38.000 -0.096 0.000 1.248 403 I HN -0.156 nan 8.210 nan 0.000 0.453 404 G N 1.067 109.944 108.800 0.128 0.000 2.607 404 G HA2 0.228 4.188 3.960 -0.000 0.000 0.162 404 G HA3 0.228 4.188 3.960 -0.000 0.000 0.162 404 G C -0.066 175.014 174.900 0.300 0.000 1.583 404 G CA 0.761 45.960 45.100 0.165 0.000 0.779 404 G HN 0.648 nan 8.290 nan 0.000 0.747 405 V N 2.235 122.314 119.914 0.275 0.000 3.329 405 V HA 0.237 4.356 4.120 -0.000 0.000 0.317 405 V C -0.668 175.385 176.094 -0.067 0.000 1.495 405 V CA 0.494 62.898 62.300 0.172 0.000 1.105 405 V CB 0.492 32.464 31.823 0.249 0.000 0.985 405 V HN 0.534 nan 8.190 nan 0.000 0.475 406 D N 0.345 120.723 120.400 -0.037 0.000 2.600 406 D HA -0.059 4.580 4.640 -0.000 0.000 0.226 406 D C 0.055 175.784 176.300 -0.951 0.000 1.119 406 D CA -0.466 53.367 54.000 -0.279 0.000 1.051 406 D CB -0.275 40.475 40.800 -0.084 0.000 1.106 406 D HN 0.557 nan 8.370 nan 0.000 0.491 407 W N 3.314 123.844 121.300 -1.282 0.000 2.181 407 W HA 0.200 4.860 4.660 -0.000 0.000 0.335 407 W C -1.553 174.647 176.519 -0.531 0.000 1.310 407 W CA -1.614 54.990 57.345 -1.235 0.000 1.226 407 W CB 0.838 30.014 29.460 -0.472 0.000 1.155 407 W HN 0.196 nan 8.180 nan 0.000 0.565 408 P HA 0.159 nan 4.420 nan 0.000 0.227 408 P C -0.960 175.935 177.300 -0.674 0.000 1.801 408 P CA -0.352 61.748 63.100 -1.667 0.000 0.971 408 P CB -0.811 29.772 31.700 -1.860 0.000 1.653 409 F N -0.198 119.578 119.950 -0.290 0.000 2.489 409 F HA -0.240 4.287 4.527 -0.000 0.000 0.203 409 F C 1.291 176.991 175.800 -0.165 0.000 1.030 409 F CA 0.588 58.482 58.000 -0.177 0.000 0.877 409 F CB -2.035 36.887 39.000 -0.129 0.000 0.855 409 F HN 0.117 nan 8.300 nan 0.000 0.832 410 K N 0.803 121.162 120.400 -0.068 0.000 2.366 410 K HA -0.109 4.210 4.320 -0.000 0.000 0.198 410 K C 1.989 178.572 176.600 -0.027 0.000 1.044 410 K CA 0.920 57.163 56.287 -0.074 0.000 0.973 410 K CB -0.046 32.386 32.500 -0.113 0.000 0.767 410 K HN 0.673 nan 8.250 nan 0.000 0.475 411 Q N 0.959 120.758 119.800 -0.001 0.000 2.466 411 Q HA -0.018 4.322 4.340 -0.000 0.000 0.210 411 Q C 0.096 176.097 176.000 0.002 0.000 0.961 411 Q CA 0.497 56.300 55.803 -0.001 0.000 0.953 411 Q CB 0.019 28.760 28.738 0.005 0.000 1.011 411 Q HN 0.137 nan 8.270 nan 0.000 0.516 412 L N 2.397 123.626 121.223 0.009 0.000 2.325 412 L HA 0.344 4.684 4.340 -0.000 0.000 0.279 412 L C -0.107 176.758 176.870 -0.009 0.000 1.054 412 L CA -0.429 54.410 54.840 -0.001 0.000 0.804 412 L CB 1.313 43.375 42.059 0.005 0.000 1.200 412 L HN 0.031 nan 8.230 nan 0.000 0.436 413 D N 1.609 121.999 120.400 -0.015 0.000 2.443 413 D HA -0.012 4.628 4.640 -0.000 0.000 0.239 413 D C 0.827 177.120 176.300 -0.011 0.000 1.136 413 D CA -0.152 53.838 54.000 -0.015 0.000 0.879 413 D CB 0.973 41.761 40.800 -0.019 0.000 1.195 413 D HN 0.353 nan 8.370 nan 0.000 0.443 414 D N 1.135 121.529 120.400 -0.010 0.000 2.221 414 D HA -0.183 4.457 4.640 -0.000 0.000 0.204 414 D C 1.668 177.965 176.300 -0.004 0.000 0.982 414 D CA 0.970 54.967 54.000 -0.005 0.000 0.857 414 D CB 0.101 40.897 40.800 -0.007 0.000 0.934 414 D HN 0.493 nan 8.370 nan 0.000 0.475 415 K N 0.549 120.943 120.400 -0.010 0.000 2.288 415 K HA -0.120 4.199 4.320 -0.000 0.000 0.201 415 K C 0.452 177.043 176.600 -0.015 0.000 1.048 415 K CA 0.995 57.275 56.287 -0.012 0.000 0.956 415 K CB 0.296 32.787 32.500 -0.015 0.000 0.746 415 K HN -0.118 nan 8.250 nan 0.000 0.461 416 D N 0.167 120.557 120.400 -0.017 0.000 2.379 416 D HA 0.165 4.804 4.640 -0.000 0.000 0.208 416 D C -0.092 176.201 176.300 -0.013 0.000 1.065 416 D CA 0.198 54.183 54.000 -0.025 0.000 0.848 416 D CB 0.652 41.428 40.800 -0.040 0.000 0.949 416 D HN 0.235 nan 8.370 nan 0.000 0.509 417 I N -0.033 120.542 120.570 0.008 0.000 2.730 417 I HA 0.359 4.528 4.170 -0.000 0.000 0.298 417 I C -1.589 174.567 176.117 0.066 0.000 1.089 417 I CA -0.993 60.331 61.300 0.040 0.000 1.041 417 I CB 2.167 40.198 38.000 0.051 0.000 1.235 417 I HN -0.147 nan 8.210 nan 0.000 0.423 418 C N 7.274 126.643 119.300 0.115 0.000 2.437 418 C HA 0.575 5.035 4.460 -0.000 0.000 0.307 418 C C -0.323 174.805 174.990 0.230 0.000 1.093 418 C CA -0.687 58.422 59.018 0.152 0.000 1.463 418 C CB -0.272 27.566 27.740 0.163 0.000 1.926 418 C HN 0.829 nan 8.230 nan 0.000 0.420 419 R N 3.721 124.334 120.500 0.188 0.000 2.343 419 R HA 0.306 4.646 4.340 -0.000 0.000 0.326 419 R C -0.444 175.973 176.300 0.196 0.000 1.055 419 R CA -0.123 56.118 56.100 0.234 0.000 0.961 419 R CB -0.091 30.301 30.300 0.154 0.000 0.978 419 R HN 0.690 nan 8.270 nan 0.000 0.443 420 F N 5.435 125.438 119.950 0.088 0.000 2.504 420 F HA 0.209 4.736 4.527 -0.000 0.000 0.369 420 F C -1.228 174.440 175.800 -0.219 0.000 1.082 420 F CA -2.331 55.632 58.000 -0.062 0.000 1.216 420 F CB 0.959 39.924 39.000 -0.059 0.000 1.108 420 F HN 0.507 nan 8.300 nan 0.000 0.554 421 P HA -0.159 nan 4.420 nan 0.000 0.215 421 P C -0.947 175.758 177.300 -0.991 0.000 1.153 421 P CA 1.692 64.154 63.100 -1.064 0.000 0.853 421 P CB -0.011 30.686 31.700 -1.672 0.000 0.788 422 Y N -1.616 118.291 120.300 -0.656 0.000 2.602 422 Y HA 0.652 5.202 4.550 -0.000 0.000 0.330 422 Y C 0.748 176.597 175.900 -0.084 0.000 1.114 422 Y CA -1.995 55.891 58.100 -0.357 0.000 1.182 422 Y CB 0.228 38.437 38.460 -0.419 0.000 1.305 422 Y HN -0.200 nan 8.280 nan 0.000 0.502 423 A N 0.461 123.355 122.820 0.123 0.000 2.271 423 A HA 0.688 5.008 4.320 -0.000 0.000 0.288 423 A C -1.028 176.617 177.584 0.102 0.000 1.094 423 A CA -0.583 51.506 52.037 0.085 0.000 0.828 423 A CB 0.369 19.402 19.000 0.055 0.000 1.091 423 A HN 0.517 nan 8.150 nan 0.000 0.493 424 V N 1.760 121.699 119.914 0.041 0.000 2.409 424 V HA 0.388 4.508 4.120 -0.000 0.000 0.291 424 V C -0.582 175.554 176.094 0.069 0.000 1.020 424 V CA -0.354 61.977 62.300 0.051 0.000 0.848 424 V CB 1.003 32.798 31.823 -0.047 0.000 0.990 424 V HN 0.764 nan 8.190 nan 0.000 0.430 425 L N 4.556 125.858 121.223 0.130 0.000 2.295 425 L HA 0.655 4.995 4.340 -0.000 0.000 0.285 425 L C -0.231 176.766 176.870 0.212 0.000 1.035 425 L CA 0.317 55.242 54.840 0.142 0.000 0.806 425 L CB 1.452 43.566 42.059 0.091 0.000 1.214 425 L HN 0.792 nan 8.230 nan 0.000 0.426 426 E N 4.107 124.407 120.200 0.167 0.000 2.218 426 E HA 0.472 4.822 4.350 -0.000 0.000 0.263 426 E C -1.808 174.886 176.600 0.157 0.000 0.879 426 E CA -0.726 55.773 56.400 0.165 0.000 0.762 426 E CB 1.795 31.554 29.700 0.098 0.000 1.166 426 E HN 0.515 nan 8.360 nan 0.000 0.415 427 V N 5.039 125.068 119.914 0.192 0.000 2.370 427 V HA 0.336 4.456 4.120 -0.000 0.000 0.279 427 V C -0.418 175.724 176.094 0.079 0.000 1.029 427 V CA -0.628 61.742 62.300 0.115 0.000 0.870 427 V CB 1.337 33.212 31.823 0.087 0.000 0.984 427 V HN 0.576 nan 8.190 nan 0.000 0.451 428 K N 6.344 126.779 120.400 0.057 0.000 2.425 428 K HA 0.668 4.988 4.320 -0.000 0.000 0.259 428 K C -1.114 175.500 176.600 0.024 0.000 0.978 428 K CA -0.434 55.879 56.287 0.044 0.000 0.883 428 K CB 1.799 34.331 32.500 0.054 0.000 1.110 428 K HN 0.481 nan 8.250 nan 0.000 0.436 429 L N 1.935 123.165 121.223 0.012 0.000 2.358 429 L HA 0.462 4.802 4.340 -0.000 0.000 0.268 429 L C -0.304 176.577 176.870 0.019 0.000 1.032 429 L CA -0.840 53.996 54.840 -0.006 0.000 0.805 429 L CB 1.655 43.697 42.059 -0.030 0.000 1.253 429 L HN 0.617 nan 8.230 nan 0.000 0.452 430 Q N 1.036 120.839 119.800 0.006 0.000 2.334 430 Q HA 0.367 4.707 4.340 -0.000 0.000 0.249 430 Q C -1.882 174.121 176.000 0.006 0.000 0.909 430 Q CA -0.389 55.433 55.803 0.032 0.000 0.823 430 Q CB 1.951 30.672 28.738 -0.027 0.000 1.353 430 Q HN 0.681 nan 8.270 nan 0.000 0.433 431 T N 3.082 117.676 114.554 0.067 0.000 2.841 431 T HA 0.320 4.670 4.350 -0.000 0.000 0.285 431 T C -0.614 174.153 174.700 0.112 0.000 0.991 431 T CA -0.604 61.524 62.100 0.046 0.000 0.966 431 T CB 1.678 70.559 68.868 0.021 0.000 0.962 431 T HN 0.530 nan 8.240 nan 0.000 0.438 432 Q N 2.279 122.128 119.800 0.083 0.000 2.311 432 Q HA 0.250 4.590 4.340 -0.000 0.000 0.272 432 Q C 0.004 176.049 176.000 0.075 0.000 1.012 432 Q CA -0.266 55.607 55.803 0.117 0.000 0.891 432 Q CB 0.575 29.358 28.738 0.074 0.000 1.201 432 Q HN 0.555 nan 8.270 nan 0.000 0.391 433 L N 1.597 122.865 121.223 0.076 0.000 2.578 433 L HA -0.096 4.244 4.340 -0.000 0.000 0.279 433 L C 1.396 178.284 176.870 0.030 0.000 1.227 433 L CA 0.924 55.789 54.840 0.042 0.000 0.900 433 L CB -0.323 41.755 42.059 0.032 0.000 1.144 433 L HN 1.100 nan 8.230 nan 0.000 0.496 434 G N 1.771 110.582 108.800 0.018 0.000 2.217 434 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.246 434 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.246 434 G C 0.050 174.955 174.900 0.009 0.000 0.990 434 G CA 0.165 45.273 45.100 0.012 0.000 0.627 434 G HN 0.577 nan 8.290 nan 0.000 0.522 435 Q N 0.697 120.503 119.800 0.011 0.000 2.241 435 Q HA 0.739 5.079 4.340 -0.000 0.000 0.262 435 Q C -0.060 175.937 176.000 -0.006 0.000 1.014 435 Q CA -0.453 55.352 55.803 0.003 0.000 0.885 435 Q CB 0.969 29.710 28.738 0.006 0.000 1.311 435 Q HN 0.525 nan 8.270 nan 0.000 0.461 436 E N 1.114 121.303 120.200 -0.018 0.000 2.263 436 E HA 0.507 4.856 4.350 -0.000 0.000 0.264 436 E C -2.331 174.235 176.600 -0.056 0.000 0.923 436 E CA -2.145 54.234 56.400 -0.035 0.000 0.802 436 E CB 1.166 30.843 29.700 -0.038 0.000 1.228 436 E HN 0.435 nan 8.360 nan 0.000 0.417 437 P HA 0.135 nan 4.420 nan 0.000 0.271 437 P C -2.552 174.637 177.300 -0.186 0.000 1.218 437 P CA -1.198 61.819 63.100 -0.138 0.000 0.780 437 P CB -0.316 31.287 31.700 -0.163 0.000 0.901 438 P HA -0.096 nan 4.420 nan 0.000 0.260 438 P C 1.045 178.123 177.300 -0.369 0.000 1.172 438 P CA 0.500 63.435 63.100 -0.274 0.000 0.760 438 P CB 0.331 31.795 31.700 -0.393 0.000 0.773 439 E N 3.592 123.696 120.200 -0.160 0.000 2.171 439 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 439 E C 1.563 178.087 176.600 -0.127 0.000 0.997 439 E CA 1.469 57.802 56.400 -0.112 0.000 0.810 439 E CB -0.167 29.523 29.700 -0.017 0.000 0.738 439 E HN 0.668 nan 8.360 nan 0.000 0.467 440 W N 0.501 121.691 121.300 -0.183 0.000 2.363 440 W HA -0.123 4.537 4.660 -0.000 0.000 0.296 440 W C 1.582 177.979 176.519 -0.204 0.000 1.212 440 W CA 0.870 58.073 57.345 -0.236 0.000 1.260 440 W CB -0.978 28.161 29.460 -0.535 0.000 1.131 440 W HN -0.155 nan 8.180 nan 0.000 0.530 441 V N 2.477 121.684 119.914 -1.178 0.000 2.307 441 V HA -0.271 3.849 4.120 -0.000 0.000 0.245 441 V C 2.826 178.637 176.094 -0.472 0.000 1.045 441 V CA 2.344 63.996 62.300 -1.080 0.000 1.024 441 V CB -1.135 29.961 31.823 -1.211 0.000 0.651 441 V HN 0.061 nan 8.190 nan 0.000 0.449 442 R N 0.202 120.483 120.500 -0.364 0.000 2.096 442 R HA -0.240 4.100 4.340 -0.000 0.000 0.240 442 R C 2.417 178.634 176.300 -0.139 0.000 1.139 442 R CA 2.085 58.065 56.100 -0.200 0.000 0.952 442 R CB -0.440 29.769 30.300 -0.153 0.000 0.854 442 R HN 0.636 nan 8.270 nan 0.000 0.436 443 E N 0.700 120.832 120.200 -0.113 0.000 2.058 443 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 443 E C 1.954 178.524 176.600 -0.050 0.000 0.997 443 E CA 1.165 57.536 56.400 -0.047 0.000 0.801 443 E CB -0.026 29.677 29.700 0.005 0.000 0.746 443 E HN 0.146 nan 8.360 nan 0.000 0.450 444 L N 0.313 121.501 121.223 -0.058 0.000 2.046 444 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 444 L C 2.188 178.954 176.870 -0.172 0.000 1.077 444 L CA 1.393 56.189 54.840 -0.073 0.000 0.747 444 L CB -0.459 41.599 42.059 -0.002 0.000 0.896 444 L HN 0.027 nan 8.230 nan 0.000 0.432 445 V N 0.181 119.963 119.914 -0.220 0.000 2.626 445 V HA -0.121 3.999 4.120 -0.000 0.000 0.252 445 V C 2.275 178.291 176.094 -0.130 0.000 1.067 445 V CA 1.609 63.738 62.300 -0.284 0.000 1.081 445 V CB -1.030 30.673 31.823 -0.200 0.000 0.686 445 V HN 0.666 nan 8.190 nan 0.000 0.468 446 G N -0.335 108.417 108.800 -0.081 0.000 3.088 446 G HA2 0.076 4.036 3.960 -0.000 0.000 0.217 446 G HA3 0.076 4.036 3.960 -0.000 0.000 0.217 446 G C 0.728 175.615 174.900 -0.021 0.000 1.159 446 G CA 0.652 45.733 45.100 -0.032 0.000 0.760 446 G HN 0.593 nan 8.290 nan 0.000 0.550 447 S N -0.316 115.353 115.700 -0.050 0.000 2.661 447 S HA 0.144 4.614 4.470 -0.000 0.000 0.265 447 S C 1.530 176.115 174.600 -0.024 0.000 1.225 447 S CA 0.055 58.239 58.200 -0.027 0.000 0.986 447 S CB 0.543 63.691 63.200 -0.087 0.000 1.008 447 S HN 0.487 nan 8.310 nan 0.000 0.565 448 H N 0.072 119.129 119.070 -0.023 0.000 2.547 448 H HA 0.171 4.727 4.556 -0.000 0.000 0.272 448 H C 1.560 176.877 175.328 -0.018 0.000 0.989 448 H CA 0.568 56.605 56.048 -0.019 0.000 1.214 448 H CB -0.538 29.213 29.762 -0.018 0.000 1.389 448 H HN 0.525 nan 8.280 nan 0.000 0.577 449 L N 1.397 122.286 121.223 -0.557 0.000 2.083 449 L HA -0.065 4.275 4.340 -0.000 0.000 0.209 449 L C 1.347 178.119 176.870 -0.163 0.000 1.083 449 L CA 0.922 55.528 54.840 -0.391 0.000 0.752 449 L CB -0.101 41.744 42.059 -0.356 0.000 0.899 449 L HN 0.208 nan 8.230 nan 0.000 0.433 450 V N -3.918 115.909 119.914 -0.146 0.000 3.193 450 V HA 0.514 4.633 4.120 -0.000 0.000 0.320 450 V C -0.328 175.769 176.094 0.005 0.000 1.112 450 V CA -0.693 61.556 62.300 -0.087 0.000 1.026 450 V CB 2.081 33.753 31.823 -0.252 0.000 1.128 450 V HN -0.019 nan 8.190 nan 0.000 0.452 451 E N 1.604 121.850 120.200 0.077 0.000 2.528 451 E HA 0.433 4.783 4.350 -0.000 0.000 0.277 451 E C -3.012 173.573 176.600 -0.025 0.000 0.980 451 E CA -1.804 54.611 56.400 0.026 0.000 0.796 451 E CB 2.099 31.782 29.700 -0.029 0.000 1.427 451 E HN 0.639 nan 8.360 nan 0.000 0.394 452 P HA 0.014 nan 4.420 nan 0.000 0.264 452 P C -0.390 176.669 177.300 -0.403 0.000 1.193 452 P CA 0.034 62.984 63.100 -0.249 0.000 0.763 452 P CB 0.609 32.204 31.700 -0.175 0.000 0.810 453 V N 5.835 125.416 119.914 -0.554 0.000 2.546 453 V HA 0.199 4.319 4.120 -0.000 0.000 0.260 453 V C -2.318 173.609 176.094 -0.278 0.000 0.933 453 V CA -1.663 60.332 62.300 -0.508 0.000 0.994 453 V CB 1.024 32.124 31.823 -1.204 0.000 1.160 453 V HN 0.437 nan 8.190 nan 0.000 0.523 454 P HA 0.168 nan 4.420 nan 0.000 0.267 454 P C 0.423 177.789 177.300 0.110 0.000 1.200 454 P CA 0.295 63.332 63.100 -0.104 0.000 0.772 454 P CB 0.373 31.995 31.700 -0.130 0.000 0.855 455 K N -0.494 119.947 120.400 0.069 0.000 3.209 455 K HA -0.226 4.094 4.320 -0.000 0.000 0.289 455 K C -0.012 176.667 176.600 0.132 0.000 1.191 455 K CA 0.645 57.010 56.287 0.132 0.000 0.851 455 K CB -2.656 29.967 32.500 0.204 0.000 1.242 455 K HN 0.536 nan 8.250 nan 0.000 0.480 456 F N 1.313 121.122 119.950 -0.234 0.000 2.518 456 F HA 0.289 4.816 4.527 -0.000 0.000 0.359 456 F C 0.534 176.150 175.800 -0.307 0.000 1.118 456 F CA 0.106 57.697 58.000 -0.682 0.000 1.287 456 F CB 0.945 39.471 39.000 -0.790 0.000 1.132 456 F HN 0.020 nan 8.300 nan 0.000 0.587 457 S N 5.137 120.120 115.700 -1.194 0.000 2.614 457 S HA 0.323 4.792 4.470 -0.000 0.000 0.288 457 S C 0.443 174.525 174.600 -0.864 0.000 1.137 457 S CA -0.835 56.955 58.200 -0.684 0.000 0.992 457 S CB 1.389 64.465 63.200 -0.206 0.000 1.026 457 S HN 0.849 nan 8.310 nan 0.000 0.486 458 K N 2.491 122.548 120.400 -0.572 0.000 2.097 458 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 458 K C 1.496 177.998 176.600 -0.164 0.000 1.049 458 K CA 1.432 57.523 56.287 -0.327 0.000 0.933 458 K CB -0.243 32.192 32.500 -0.108 0.000 0.717 458 K HN 0.687 nan 8.250 nan 0.000 0.442 459 F N 1.943 121.623 119.950 -0.449 0.000 2.084 459 F HA -0.122 4.405 4.527 -0.000 0.000 0.296 459 F C 1.825 177.487 175.800 -0.230 0.000 1.111 459 F CA 1.229 58.852 58.000 -0.629 0.000 1.224 459 F CB -0.383 37.853 39.000 -1.273 0.000 0.991 459 F HN -0.139 nan 8.300 nan 0.000 0.471 460 I N -0.286 119.982 120.570 -0.502 0.000 2.286 460 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 460 I C 2.500 178.566 176.117 -0.084 0.000 1.115 460 I CA 1.739 62.794 61.300 -0.408 0.000 1.392 460 I CB -0.724 37.097 38.000 -0.299 0.000 1.065 460 I HN 0.261 nan 8.210 nan 0.000 0.418 461 H N 0.931 119.965 119.070 -0.060 0.000 2.321 461 H HA -0.114 4.442 4.556 -0.000 0.000 0.300 461 H C 2.227 177.579 175.328 0.040 0.000 1.087 461 H CA 1.944 58.072 56.048 0.134 0.000 1.319 461 H CB -0.543 29.340 29.762 0.201 0.000 1.379 461 H HN 0.225 nan 8.280 nan 0.000 0.501 462 G N -0.150 108.628 108.800 -0.037 0.000 2.440 462 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 462 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 462 G C 1.813 176.624 174.900 -0.148 0.000 1.154 462 G CA 1.311 46.374 45.100 -0.062 0.000 0.767 462 G HN 0.389 nan 8.290 nan 0.000 0.552 463 V N 1.422 121.196 119.914 -0.233 0.000 2.307 463 V HA -0.058 4.062 4.120 -0.000 0.000 0.245 463 V C 3.310 179.158 176.094 -0.410 0.000 1.045 463 V CA 1.900 63.988 62.300 -0.353 0.000 1.024 463 V CB -0.856 30.601 31.823 -0.610 0.000 0.651 463 V HN 0.460 nan 8.190 nan 0.000 0.449 464 A N -0.439 122.170 122.820 -0.351 0.000 2.019 464 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 464 A C 2.311 179.757 177.584 -0.230 0.000 1.164 464 A CA 2.447 54.315 52.037 -0.281 0.000 0.644 464 A CB -0.664 18.247 19.000 -0.147 0.000 0.805 464 A HN 0.546 nan 8.150 nan 0.000 0.449 465 T N -0.190 114.214 114.554 -0.249 0.000 2.739 465 T HA 0.031 4.381 4.350 -0.000 0.000 0.246 465 T C 1.650 176.272 174.700 -0.129 0.000 1.058 465 T CA 1.129 63.111 62.100 -0.196 0.000 1.184 465 T CB -0.386 68.325 68.868 -0.261 0.000 0.887 465 T HN 0.180 nan 8.240 nan 0.000 0.408 466 L N 0.721 121.876 121.223 -0.114 0.000 2.187 466 L HA 0.088 4.428 4.340 -0.000 0.000 0.213 466 L C 1.237 178.064 176.870 -0.072 0.000 1.100 466 L CA 1.543 56.341 54.840 -0.069 0.000 0.765 466 L CB -0.809 41.223 42.059 -0.045 0.000 0.904 466 L HN 0.266 nan 8.230 nan 0.000 0.437 467 L N -0.664 120.489 121.223 -0.117 0.000 3.096 467 L HA 0.223 4.563 4.340 -0.000 0.000 0.272 467 L C 1.243 178.019 176.870 -0.156 0.000 1.311 467 L CA -0.243 54.529 54.840 -0.114 0.000 0.943 467 L CB -0.046 41.942 42.059 -0.118 0.000 1.348 467 L HN 0.044 nan 8.230 nan 0.000 0.562 468 N N 1.119 119.746 118.700 -0.122 0.000 2.166 468 N HA -0.188 4.551 4.740 -0.000 0.000 0.186 468 N C 1.190 176.650 175.510 -0.085 0.000 1.019 468 N CA 1.554 54.537 53.050 -0.112 0.000 0.856 468 N CB 0.330 38.771 38.487 -0.078 0.000 0.993 468 N HN 0.329 nan 8.380 nan 0.000 0.426 469 D N 0.228 120.589 120.400 -0.065 0.000 2.149 469 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 469 D C 1.429 177.699 176.300 -0.050 0.000 0.990 469 D CA 1.268 55.241 54.000 -0.046 0.000 0.839 469 D CB -0.083 40.697 40.800 -0.032 0.000 0.948 469 D HN 0.666 nan 8.370 nan 0.000 0.460 470 K N 0.062 120.417 120.400 -0.075 0.000 2.358 470 K HA 0.149 4.469 4.320 -0.000 0.000 0.197 470 K C 0.103 176.670 176.600 -0.055 0.000 1.025 470 K CA -0.122 56.121 56.287 -0.074 0.000 1.104 470 K CB 0.562 32.993 32.500 -0.113 0.000 0.855 470 K HN 0.052 nan 8.250 nan 0.000 0.531 471 V N 0.656 120.523 119.914 -0.078 0.000 2.439 471 V HA 0.285 4.404 4.120 -0.000 0.000 0.282 471 V C -0.276 175.859 176.094 0.068 0.000 1.039 471 V CA -0.752 61.532 62.300 -0.027 0.000 0.913 471 V CB 1.379 33.063 31.823 -0.232 0.000 0.983 471 V HN 0.285 nan 8.190 nan 0.000 0.460 472 D N 1.905 122.426 120.400 0.201 0.000 2.398 472 D HA 0.199 4.839 4.640 -0.000 0.000 0.210 472 D C 0.429 176.823 176.300 0.158 0.000 1.094 472 D CA -0.025 54.053 54.000 0.129 0.000 0.839 472 D CB 0.430 41.275 40.800 0.074 0.000 0.963 472 D HN 0.512 nan 8.370 nan 0.000 0.506 473 S N -0.144 115.712 115.700 0.260 0.000 2.521 473 S HA 0.622 5.092 4.470 -0.000 0.000 0.295 473 S C -0.879 173.782 174.600 0.101 0.000 1.098 473 S CA -0.744 57.570 58.200 0.190 0.000 0.999 473 S CB 1.800 65.175 63.200 0.293 0.000 1.034 473 S HN 0.207 nan 8.310 nan 0.000 0.483 474 I N 2.552 123.120 120.570 -0.004 0.000 2.769 474 I HA 0.478 4.648 4.170 -0.000 0.000 0.298 474 I C -2.407 173.569 176.117 -0.235 0.000 1.128 474 I CA -2.511 58.728 61.300 -0.101 0.000 1.031 474 I CB 2.473 40.417 38.000 -0.093 0.000 1.235 474 I HN 0.449 nan 8.210 nan 0.000 0.423 475 P HA 0.142 nan 4.420 nan 0.000 0.274 475 P C 0.262 177.175 177.300 -0.645 0.000 1.260 475 P CA -0.144 62.430 63.100 -0.877 0.000 0.793 475 P CB 0.282 30.782 31.700 -2.000 0.000 1.048 476 F N -1.544 118.174 119.950 -0.386 0.000 2.325 476 F HA 0.089 4.616 4.527 -0.000 0.000 0.299 476 F C 0.961 176.788 175.800 0.044 0.000 1.090 476 F CA -0.524 57.423 58.000 -0.088 0.000 1.392 476 F CB -1.492 37.531 39.000 0.039 0.000 1.053 476 F HN 0.301 nan 8.300 nan 0.000 0.521 477 W N 3.871 125.082 121.300 -0.148 0.000 1.694 477 W HA 0.640 5.300 4.660 -0.000 0.000 0.425 477 W C -0.592 176.089 176.519 0.269 0.000 0.615 477 W CA -1.400 56.025 57.345 0.132 0.000 2.237 477 W CB -0.688 28.837 29.460 0.109 0.000 1.478 477 W HN 0.221 nan 8.180 nan 0.000 0.427 478 L N 0.000 121.349 121.223 0.210 0.000 2.949 478 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 478 L CA 0.000 54.953 54.840 0.189 0.000 0.813 478 L CB 0.000 42.157 42.059 0.163 0.000 0.961 478 L HN 0.000 nan 8.230 nan 0.000 0.502