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 1hqr_1_B DATA FIRST_RESID 202 DATA SEQUENCE DTRPRFLQQD KYEcHFFNGT ERVRFLHRDI YNQEEDLRFD SDVGEYRAVT DATA SEQUENCE ELGRPDAEYW NSQKDFLEDR RAAVDTYcRH NYGVGESFTV QRRVEPKVTV DATA SEQUENCE YPAXXXXXXX HNLLVcSVNG FYPGSIEVRW FRNSQEEKAG VVSTGLIQNG DATA SEQUENCE DWTFQTLVML ETVPRXXEVY TcQVEHPSVT SPLTVEWRA 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 202 D HA 0.000 nan 4.640 nan 0.000 0.175 202 D C 0.000 176.288 176.300 -0.021 0.000 2.045 202 D CA 0.000 53.991 54.000 -0.016 0.000 0.868 202 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 203 T N 0.838 115.380 114.554 -0.019 0.000 3.041 203 T HA 0.084 4.436 4.350 0.002 0.000 0.276 203 T C 0.853 175.535 174.700 -0.030 0.000 0.948 203 T CA -0.091 61.995 62.100 -0.022 0.000 0.885 203 T CB 0.388 69.249 68.868 -0.011 0.000 1.175 203 T HN 0.014 nan 8.240 nan 0.000 0.529 204 R N 2.823 123.306 120.500 -0.028 0.000 2.480 204 R HA 0.235 4.577 4.340 0.002 0.000 0.303 204 R C -2.625 173.618 176.300 -0.094 0.000 0.985 204 R CA -1.095 54.987 56.100 -0.030 0.000 1.051 204 R CB -0.277 30.014 30.300 -0.015 0.000 0.935 204 R HN 0.286 nan 8.270 nan 0.000 0.410 205 P HA 0.142 nan 4.420 nan 0.000 0.272 205 P C -0.329 176.616 177.300 -0.592 0.000 1.240 205 P CA -0.083 62.819 63.100 -0.329 0.000 0.791 205 P CB 0.659 32.187 31.700 -0.286 0.000 0.978 206 R N 1.258 121.320 120.500 -0.730 0.000 2.686 206 R HA 0.540 4.882 4.340 0.002 0.000 0.286 206 R C -1.034 174.735 176.300 -0.885 0.000 0.969 206 R CA -0.517 55.187 56.100 -0.660 0.000 0.898 206 R CB 0.880 31.001 30.300 -0.298 0.000 1.183 206 R HN 0.396 nan 8.270 nan 0.000 0.456 207 F N 2.207 122.146 119.950 -0.018 0.000 2.460 207 F HA 0.391 4.920 4.527 0.002 0.000 0.341 207 F C 0.083 175.861 175.800 -0.038 0.000 1.130 207 F CA -0.987 56.992 58.000 -0.035 0.000 0.962 207 F CB 1.251 40.312 39.000 0.101 0.000 1.171 207 F HN 0.170 nan 8.300 nan 0.000 0.436 208 L N 3.040 124.235 121.223 -0.047 0.000 2.344 208 L HA 0.704 5.046 4.340 0.002 0.000 0.272 208 L C -0.826 176.075 176.870 0.052 0.000 1.035 208 L CA -0.473 54.356 54.840 -0.018 0.000 0.807 208 L CB 1.640 43.650 42.059 -0.083 0.000 1.237 208 L HN 0.647 nan 8.230 nan 0.000 0.442 209 Q N 2.830 122.692 119.800 0.104 0.000 2.483 209 Q HA 0.406 4.748 4.340 0.002 0.000 0.245 209 Q C -1.826 174.240 176.000 0.110 0.000 0.902 209 Q CA -0.213 55.684 55.803 0.156 0.000 0.767 209 Q CB 1.187 30.041 28.738 0.193 0.000 1.341 209 Q HN 0.690 nan 8.270 nan 0.000 0.453 210 Q N 2.087 121.941 119.800 0.090 0.000 2.245 210 Q HA 0.561 4.902 4.340 0.002 0.000 0.256 210 Q C -0.996 175.047 176.000 0.072 0.000 0.942 210 Q CA -0.703 55.143 55.803 0.072 0.000 0.896 210 Q CB 1.721 30.486 28.738 0.045 0.000 1.272 210 Q HN 0.515 nan 8.270 nan 0.000 0.442 211 D N 2.254 122.698 120.400 0.072 0.000 2.696 211 D HA 0.286 4.927 4.640 0.002 0.000 0.251 211 D C -1.073 175.219 176.300 -0.013 0.000 1.188 211 D CA -0.411 53.608 54.000 0.032 0.000 0.876 211 D CB 1.565 42.425 40.800 0.101 0.000 1.334 211 D HN 0.247 nan 8.370 nan 0.000 0.540 212 K N 2.579 122.917 120.400 -0.102 0.000 2.483 212 K HA 0.319 4.640 4.320 0.002 0.000 0.256 212 K C -1.086 175.419 176.600 -0.158 0.000 0.961 212 K CA -0.662 55.597 56.287 -0.046 0.000 0.873 212 K CB 1.682 34.183 32.500 0.003 0.000 1.107 212 K HN 0.297 nan 8.250 nan 0.000 0.432 213 Y N 2.553 122.931 120.300 0.130 0.000 2.385 213 Y HA 0.139 4.691 4.550 0.002 0.000 0.341 213 Y C 0.354 176.387 175.900 0.221 0.000 0.965 213 Y CA -0.666 57.502 58.100 0.113 0.000 1.180 213 Y CB 1.118 39.675 38.460 0.162 0.000 1.139 213 Y HN 0.512 nan 8.280 nan 0.000 0.502 214 E N 1.788 122.102 120.200 0.190 0.000 2.256 214 E HA 0.714 5.065 4.350 0.002 0.000 0.267 214 E C -1.510 175.261 176.600 0.285 0.000 0.892 214 E CA -0.939 55.590 56.400 0.214 0.000 0.775 214 E CB 1.731 31.494 29.700 0.104 0.000 1.207 214 E HN 0.419 nan 8.360 nan 0.000 0.420 215 c N 2.446 121.186 118.600 0.233 0.000 2.345 215 c HA 0.440 5.011 4.570 0.002 0.000 0.323 215 c C -0.573 173.460 174.090 -0.094 0.000 1.276 215 c CA -0.522 55.903 56.329 0.160 0.000 1.543 215 c CB 0.116 42.774 42.510 0.247 0.000 2.211 215 c HN 0.692 nan 8.230 nan 0.000 0.493 216 H N 2.318 121.228 119.070 -0.267 0.000 2.539 216 H HA 0.416 4.974 4.556 0.002 0.000 0.332 216 H C -1.059 173.781 175.328 -0.814 0.000 1.031 216 H CA -0.092 55.743 56.048 -0.356 0.000 1.206 216 H CB 1.255 30.802 29.762 -0.358 0.000 1.446 216 H HN 0.492 nan 8.280 nan 0.000 0.496 217 F N 3.083 122.848 119.950 -0.309 0.000 2.443 217 F HA 0.374 4.903 4.527 0.003 0.000 0.335 217 F C -0.085 175.585 175.800 -0.217 0.000 1.104 217 F CA -0.553 57.268 58.000 -0.297 0.000 1.013 217 F CB 1.086 40.059 39.000 -0.045 0.000 1.136 217 F HN 0.342 nan 8.300 nan 0.000 0.470 218 F N 0.427 120.478 119.950 0.169 0.000 2.518 218 F HA 0.244 4.773 4.527 0.002 0.000 0.323 218 F C 0.414 176.263 175.800 0.083 0.000 1.129 218 F CA -1.319 56.748 58.000 0.111 0.000 0.920 218 F CB 1.953 40.989 39.000 0.060 0.000 1.160 218 F HN 0.475 nan 8.300 nan 0.000 0.440 219 N N 2.675 121.538 118.700 0.271 0.000 2.608 219 N HA -0.113 4.628 4.740 0.002 0.000 0.273 219 N C 0.472 176.050 175.510 0.113 0.000 1.133 219 N CA 0.932 54.075 53.050 0.154 0.000 0.726 219 N CB -1.144 37.412 38.487 0.115 0.000 0.890 219 N HN 1.653 nan 8.380 nan 0.000 0.548 220 G N 0.949 109.820 108.800 0.118 0.000 2.574 220 G HA2 -0.359 3.603 3.960 0.002 0.000 0.301 220 G HA3 -0.359 3.603 3.960 0.002 0.000 0.301 220 G C 0.763 175.593 174.900 -0.117 0.000 1.166 220 G CA 1.389 46.509 45.100 0.033 0.000 0.971 220 G HN 2.200 nan 8.290 nan 0.000 0.542 221 T N -1.768 112.679 114.554 -0.179 0.000 3.252 221 T HA 0.575 4.927 4.350 0.002 0.000 0.286 221 T C 1.193 175.877 174.700 -0.028 0.000 1.013 221 T CA 1.069 63.089 62.100 -0.133 0.000 0.914 221 T CB 1.277 69.975 68.868 -0.284 0.000 1.131 221 T HN 0.662 nan 8.240 nan 0.000 0.529 222 E N 1.566 121.775 120.200 0.015 0.000 2.026 222 E HA -0.149 4.202 4.350 0.002 0.000 0.206 222 E C 0.660 177.281 176.600 0.036 0.000 1.028 222 E CA 1.094 57.514 56.400 0.034 0.000 0.845 222 E CB 0.207 29.945 29.700 0.064 0.000 0.772 222 E HN 0.217 nan 8.360 nan 0.000 0.462 223 R N -0.244 120.300 120.500 0.074 0.000 2.502 223 R HA 0.285 4.627 4.340 0.002 0.000 0.300 223 R C -1.229 175.052 176.300 -0.032 0.000 0.984 223 R CA -0.412 55.721 56.100 0.056 0.000 0.882 223 R CB 1.566 31.940 30.300 0.124 0.000 1.180 223 R HN -0.045 nan 8.270 nan 0.000 0.444 224 V N 3.261 123.064 119.914 -0.184 0.000 3.503 224 V HA 0.675 4.796 4.120 0.002 0.000 0.294 224 V C -0.086 175.839 176.094 -0.282 0.000 1.102 224 V CA -0.923 61.107 62.300 -0.449 0.000 0.979 224 V CB 1.462 32.927 31.823 -0.596 0.000 1.240 224 V HN 0.718 nan 8.190 nan 0.000 0.444 225 R N 0.136 120.461 120.500 -0.292 0.000 2.522 225 R HA 0.385 4.726 4.340 0.002 0.000 0.273 225 R C -2.344 174.004 176.300 0.080 0.000 1.133 225 R CA -0.461 55.600 56.100 -0.065 0.000 0.969 225 R CB 1.482 31.740 30.300 -0.070 0.000 1.235 225 R HN 0.581 nan 8.270 nan 0.000 0.433 226 F N 4.970 124.929 119.950 0.016 0.000 2.432 226 F HA 0.736 5.265 4.527 0.002 0.000 0.329 226 F C -1.498 174.385 175.800 0.139 0.000 1.076 226 F CA -1.007 57.046 58.000 0.089 0.000 1.018 226 F CB 1.477 40.519 39.000 0.069 0.000 1.201 226 F HN 0.441 nan 8.300 nan 0.000 0.489 227 L N 5.735 126.484 121.223 -0.789 0.000 2.614 227 L HA 0.297 4.638 4.340 0.002 0.000 0.264 227 L C -1.834 174.664 176.870 -0.621 0.000 0.940 227 L CA -0.310 54.233 54.840 -0.495 0.000 0.903 227 L CB 1.387 43.358 42.059 -0.147 0.000 1.306 227 L HN 0.787 nan 8.230 nan 0.000 0.410 228 H N 5.033 123.740 119.070 -0.605 0.000 2.459 228 H HA 0.657 5.215 4.556 0.002 0.000 0.332 228 H C -1.004 174.178 175.328 -0.243 0.000 1.094 228 H CA -0.914 54.842 56.048 -0.487 0.000 1.224 228 H CB 1.183 30.736 29.762 -0.347 0.000 1.449 228 H HN 0.647 nan 8.280 nan 0.000 0.484 229 R N 4.216 124.548 120.500 -0.279 0.000 2.473 229 R HA 0.114 4.455 4.340 0.002 0.000 0.303 229 R C -1.439 174.711 176.300 -0.250 0.000 1.002 229 R CA -0.763 55.173 56.100 -0.273 0.000 0.884 229 R CB 1.581 31.812 30.300 -0.115 0.000 1.173 229 R HN 0.660 nan 8.270 nan 0.000 0.464 230 D N 3.183 123.420 120.400 -0.272 0.000 2.277 230 D HA 0.310 4.952 4.640 0.002 0.000 0.249 230 D C -0.646 175.658 176.300 0.006 0.000 1.134 230 D CA -0.144 53.809 54.000 -0.079 0.000 0.863 230 D CB 0.797 41.574 40.800 -0.039 0.000 1.143 230 D HN 0.350 nan 8.370 nan 0.000 0.458 231 I N 3.691 124.294 120.570 0.056 0.000 2.439 231 I HA 0.183 4.354 4.170 0.002 0.000 0.283 231 I C -1.187 175.018 176.117 0.147 0.000 1.023 231 I CA -1.218 60.130 61.300 0.080 0.000 1.100 231 I CB 1.243 39.267 38.000 0.041 0.000 1.238 231 I HN 0.337 nan 8.210 nan 0.000 0.445 232 Y N 7.512 127.834 120.300 0.036 0.000 2.425 232 Y HA 0.278 4.829 4.550 0.002 0.000 0.347 232 Y C 0.920 176.851 175.900 0.052 0.000 0.976 232 Y CA -0.096 58.035 58.100 0.052 0.000 1.190 232 Y CB 0.328 38.820 38.460 0.053 0.000 1.136 232 Y HN 0.775 nan 8.280 nan 0.000 0.517 233 N N 2.414 120.910 118.700 -0.340 0.000 2.568 233 N HA -0.391 4.351 4.740 0.002 0.000 0.218 233 N C 0.861 176.296 175.510 -0.123 0.000 0.244 233 N CA 2.492 55.361 53.050 -0.302 0.000 4.081 233 N CB -0.908 37.328 38.487 -0.419 0.000 0.872 233 N HN 0.768 nan 8.380 nan 0.000 0.235 234 Q N -1.103 118.655 119.800 -0.069 0.000 1.559 234 Q HA 0.163 4.505 4.340 0.002 0.000 0.164 234 Q C -1.266 174.738 176.000 0.005 0.000 0.668 234 Q CA -0.016 55.771 55.803 -0.026 0.000 0.705 234 Q CB 0.434 29.152 28.738 -0.033 0.000 1.180 234 Q HN 0.274 nan 8.270 nan 0.000 0.369 235 E N 1.967 122.183 120.200 0.027 0.000 2.313 235 E HA 0.099 4.450 4.350 0.002 0.000 0.276 235 E C -1.173 175.459 176.600 0.053 0.000 1.031 235 E CA -0.012 56.414 56.400 0.044 0.000 0.857 235 E CB 1.200 30.939 29.700 0.065 0.000 1.040 235 E HN 0.178 nan 8.360 nan 0.000 0.408 236 E N 4.025 124.245 120.200 0.034 0.000 2.003 236 E HA -0.017 4.334 4.350 0.002 0.000 0.279 236 E C -0.048 176.571 176.600 0.032 0.000 1.132 236 E CA -0.142 56.272 56.400 0.024 0.000 0.888 236 E CB 0.365 30.068 29.700 0.006 0.000 1.056 236 E HN 0.645 nan 8.360 nan 0.000 0.399 237 D N 4.384 124.812 120.400 0.047 0.000 2.259 237 D HA -0.059 4.583 4.640 0.002 0.000 0.216 237 D C 0.676 177.004 176.300 0.046 0.000 0.961 237 D CA -0.080 53.951 54.000 0.052 0.000 0.878 237 D CB 0.266 41.107 40.800 0.069 0.000 1.009 237 D HN 0.293 nan 8.370 nan 0.000 0.490 238 L N 0.221 121.469 121.223 0.041 0.000 2.322 238 L HA 0.546 4.888 4.340 0.002 0.000 0.269 238 L C -0.430 176.456 176.870 0.027 0.000 1.012 238 L CA -0.707 54.175 54.840 0.069 0.000 0.815 238 L CB 1.893 44.011 42.059 0.098 0.000 1.295 238 L HN -0.020 nan 8.230 nan 0.000 0.438 239 R N 2.157 122.712 120.500 0.092 0.000 2.810 239 R HA 0.598 4.939 4.340 0.002 0.000 0.266 239 R C -2.209 174.115 176.300 0.041 0.000 1.061 239 R CA -0.660 55.444 56.100 0.008 0.000 0.943 239 R CB 1.792 32.078 30.300 -0.022 0.000 1.237 239 R HN 0.556 nan 8.270 nan 0.000 0.459 240 F N 1.407 121.178 119.950 -0.299 0.000 2.688 240 F HA 0.309 4.838 4.527 0.002 0.000 0.332 240 F C -2.128 173.486 175.800 -0.310 0.000 1.131 240 F CA -0.896 56.819 58.000 -0.475 0.000 1.113 240 F CB 1.478 39.830 39.000 -1.080 0.000 1.359 240 F HN 0.455 nan 8.300 nan 0.000 0.551 241 D N 3.281 123.559 120.400 -0.204 0.000 2.780 241 D HA 0.397 5.038 4.640 0.002 0.000 0.242 241 D C 0.366 176.604 176.300 -0.102 0.000 1.135 241 D CA -0.149 53.836 54.000 -0.026 0.000 0.859 241 D CB 2.604 43.350 40.800 -0.090 0.000 1.530 241 D HN 0.460 nan 8.370 nan 0.000 0.493 242 S N 2.279 118.082 115.700 0.171 0.000 2.365 242 S HA -0.199 4.272 4.470 0.002 0.000 0.221 242 S C 1.185 175.782 174.600 -0.006 0.000 1.037 242 S CA 1.120 59.415 58.200 0.159 0.000 1.060 242 S CB -0.213 63.099 63.200 0.186 0.000 0.974 242 S HN 0.644 nan 8.310 nan 0.000 0.427 243 D N 0.681 121.078 120.400 -0.005 0.000 2.332 243 D HA -0.102 4.540 4.640 0.002 0.000 0.209 243 D C 1.688 177.944 176.300 -0.073 0.000 0.988 243 D CA 0.953 54.937 54.000 -0.027 0.000 0.912 243 D CB -0.129 40.660 40.800 -0.019 0.000 0.899 243 D HN 0.312 nan 8.370 nan 0.000 0.477 244 V N -1.082 118.747 119.914 -0.142 0.000 2.599 244 V HA 0.239 4.361 4.120 0.002 0.000 0.237 244 V C 1.980 177.928 176.094 -0.243 0.000 1.081 244 V CA 1.097 63.282 62.300 -0.193 0.000 1.107 244 V CB 0.371 32.044 31.823 -0.249 0.000 0.808 244 V HN 0.308 nan 8.190 nan 0.000 0.486 245 G N 0.917 109.468 108.800 -0.414 0.000 2.213 245 G HA2 -0.187 3.774 3.960 0.002 0.000 0.226 245 G HA3 -0.187 3.774 3.960 0.002 0.000 0.226 245 G C 0.174 174.796 174.900 -0.465 0.000 0.992 245 G CA 0.330 45.220 45.100 -0.351 0.000 0.632 245 G HN 0.730 nan 8.290 nan 0.000 0.511 246 E N -0.764 119.078 120.200 -0.598 0.000 2.446 246 E HA 0.636 4.987 4.350 0.002 0.000 0.276 246 E C -1.161 175.191 176.600 -0.415 0.000 0.969 246 E CA -1.290 54.910 56.400 -0.333 0.000 0.800 246 E CB 1.067 30.723 29.700 -0.073 0.000 1.341 246 E HN 0.111 nan 8.360 nan 0.000 0.460 247 Y N 0.645 120.940 120.300 -0.010 0.000 2.346 247 Y HA 0.285 4.836 4.550 0.002 0.000 0.330 247 Y C 0.603 176.527 175.900 0.040 0.000 1.178 247 Y CA 0.064 58.235 58.100 0.118 0.000 1.331 247 Y CB 0.854 39.511 38.460 0.327 0.000 1.253 247 Y HN 0.192 nan 8.280 nan 0.000 0.529 248 R N 1.636 122.224 120.500 0.147 0.000 2.803 248 R HA 0.719 5.061 4.340 0.002 0.000 0.276 248 R C -0.876 175.492 176.300 0.113 0.000 0.978 248 R CA -1.181 54.969 56.100 0.084 0.000 0.939 248 R CB 1.863 32.163 30.300 -0.001 0.000 1.179 248 R HN 0.725 nan 8.270 nan 0.000 0.472 249 A N 1.237 124.109 122.820 0.086 0.000 2.316 249 A HA 0.432 4.754 4.320 0.002 0.000 0.284 249 A C 0.762 178.374 177.584 0.047 0.000 1.115 249 A CA -0.481 51.601 52.037 0.076 0.000 0.812 249 A CB 0.725 19.764 19.000 0.065 0.000 1.064 249 A HN 0.465 nan 8.150 nan 0.000 0.489 250 V N 0.766 120.705 119.914 0.042 0.000 3.570 250 V HA 0.184 4.306 4.120 0.002 0.000 0.257 250 V C 0.850 176.960 176.094 0.028 0.000 1.272 250 V CA 1.265 63.581 62.300 0.027 0.000 1.079 250 V CB -0.445 31.390 31.823 0.021 0.000 0.829 250 V HN 1.115 nan 8.190 nan 0.000 0.454 251 T N -3.929 110.646 114.554 0.034 0.000 2.932 251 T HA 0.340 4.691 4.350 0.002 0.000 0.318 251 T C 0.427 175.147 174.700 0.032 0.000 1.265 251 T CA -0.464 61.656 62.100 0.033 0.000 1.036 251 T CB 2.381 71.273 68.868 0.041 0.000 1.209 251 T HN -0.105 nan 8.240 nan 0.000 0.484 252 E N 0.613 120.829 120.200 0.026 0.000 2.136 252 E HA -0.161 4.191 4.350 0.002 0.000 0.202 252 E C 1.865 178.475 176.600 0.017 0.000 1.019 252 E CA 1.337 57.750 56.400 0.021 0.000 0.819 252 E CB -0.333 29.377 29.700 0.016 0.000 0.739 252 E HN 0.635 nan 8.360 nan 0.000 0.458 253 L N 0.240 121.474 121.223 0.018 0.000 2.189 253 L HA -0.121 4.220 4.340 0.002 0.000 0.214 253 L C 1.916 178.787 176.870 0.001 0.000 1.097 253 L CA 2.148 56.989 54.840 0.001 0.000 0.764 253 L CB -0.503 41.564 42.059 0.013 0.000 0.900 253 L HN 0.143 nan 8.230 nan 0.000 0.436 254 G N -2.096 106.720 108.800 0.027 0.000 3.126 254 G HA2 -0.030 3.931 3.960 0.002 0.000 0.224 254 G HA3 -0.030 3.931 3.960 0.002 0.000 0.224 254 G C 1.598 176.534 174.900 0.060 0.000 1.142 254 G CA 0.183 45.310 45.100 0.044 0.000 0.759 254 G HN 0.318 nan 8.290 nan 0.000 0.550 255 R N 0.877 121.405 120.500 0.047 0.000 2.073 255 R HA -0.035 4.307 4.340 0.002 0.000 0.234 255 R C -0.271 176.062 176.300 0.055 0.000 1.134 255 R CA 1.295 57.428 56.100 0.055 0.000 0.952 255 R CB -0.685 29.637 30.300 0.038 0.000 0.850 255 R HN 0.200 nan 8.270 nan 0.000 0.433 256 P HA -0.197 nan 4.420 nan 0.000 0.218 256 P C 0.260 177.582 177.300 0.036 0.000 1.152 256 P CA 1.643 64.749 63.100 0.011 0.000 0.857 256 P CB -0.057 31.628 31.700 -0.024 0.000 0.787 257 D N -1.147 119.292 120.400 0.066 0.000 2.110 257 D HA -0.063 4.578 4.640 0.002 0.000 0.202 257 D C 2.037 178.457 176.300 0.201 0.000 0.975 257 D CA 1.341 55.421 54.000 0.134 0.000 0.839 257 D CB -0.760 40.145 40.800 0.175 0.000 0.996 257 D HN 0.015 nan 8.370 nan 0.000 0.464 258 A N 1.548 124.480 122.820 0.188 0.000 1.870 258 A HA -0.344 3.978 4.320 0.002 0.000 0.219 258 A C 2.409 180.110 177.584 0.196 0.000 1.224 258 A CA 3.692 55.865 52.037 0.226 0.000 0.650 258 A CB -1.363 17.753 19.000 0.194 0.000 0.836 258 A HN 0.351 nan 8.150 nan 0.000 0.454 259 E N -1.570 118.711 120.200 0.136 0.000 2.130 259 E HA -0.276 4.076 4.350 0.002 0.000 0.196 259 E C 1.909 178.562 176.600 0.088 0.000 0.998 259 E CA 1.852 58.313 56.400 0.102 0.000 0.806 259 E CB -1.052 28.692 29.700 0.073 0.000 0.738 259 E HN 0.872 nan 8.360 nan 0.000 0.459 260 Y N -0.744 119.524 120.300 -0.054 0.000 2.062 260 Y HA -0.144 4.408 4.550 0.002 0.000 0.272 260 Y C 2.353 178.152 175.900 -0.168 0.000 1.117 260 Y CA 2.040 60.023 58.100 -0.195 0.000 1.095 260 Y CB -1.002 37.221 38.460 -0.395 0.000 0.985 260 Y HN 0.384 nan 8.280 nan 0.000 0.479 261 W N 1.099 122.201 121.300 -0.330 0.000 2.321 261 W HA -0.246 4.416 4.660 0.003 0.000 0.306 261 W C 2.324 178.819 176.519 -0.041 0.000 1.217 261 W CA 1.705 58.852 57.345 -0.329 0.000 1.257 261 W CB -0.744 28.609 29.460 -0.178 0.000 1.145 261 W HN 0.192 nan 8.180 nan 0.000 0.509 262 N N -0.287 118.567 118.700 0.257 0.000 2.430 262 N HA -0.172 4.570 4.740 0.002 0.000 0.186 262 N C 1.696 177.273 175.510 0.112 0.000 1.032 262 N CA 1.181 54.368 53.050 0.229 0.000 0.893 262 N CB -0.268 38.332 38.487 0.187 0.000 0.957 262 N HN 0.065 nan 8.380 nan 0.000 0.442 263 S N -0.499 115.198 115.700 -0.005 0.000 2.558 263 S HA 0.007 4.478 4.470 0.002 0.000 0.217 263 S C 0.996 175.578 174.600 -0.030 0.000 0.975 263 S CA 0.130 58.308 58.200 -0.036 0.000 0.912 263 S CB 0.143 63.291 63.200 -0.087 0.000 0.776 263 S HN 0.299 nan 8.310 nan 0.000 0.526 264 Q N 1.395 121.202 119.800 0.012 0.000 2.834 264 Q HA 0.516 4.858 4.340 0.002 0.000 0.271 264 Q C 0.864 176.971 176.000 0.178 0.000 1.196 264 Q CA -0.107 55.747 55.803 0.084 0.000 1.063 264 Q CB -0.165 28.637 28.738 0.108 0.000 1.265 264 Q HN 0.667 nan 8.270 nan 0.000 0.526 265 K N 0.575 121.046 120.400 0.118 0.000 2.137 265 K HA -0.351 3.971 4.320 0.002 0.000 0.216 265 K C 1.523 178.195 176.600 0.120 0.000 1.052 265 K CA 2.631 58.983 56.287 0.107 0.000 0.939 265 K CB -0.077 32.465 32.500 0.069 0.000 0.724 265 K HN 0.794 nan 8.250 nan 0.000 0.465 266 D N -0.045 120.432 120.400 0.129 0.000 2.349 266 D HA -0.282 4.359 4.640 0.002 0.000 0.215 266 D C 1.596 177.992 176.300 0.159 0.000 1.075 266 D CA 1.982 56.061 54.000 0.131 0.000 0.934 266 D CB -0.719 40.171 40.800 0.150 0.000 1.234 266 D HN 0.282 nan 8.370 nan 0.000 0.492 267 F N -0.022 119.990 119.950 0.103 0.000 2.244 267 F HA -0.218 4.311 4.527 0.002 0.000 0.301 267 F C 1.945 177.817 175.800 0.120 0.000 1.050 267 F CA 1.068 59.122 58.000 0.091 0.000 1.345 267 F CB -0.292 38.800 39.000 0.153 0.000 1.070 267 F HN 0.158 nan 8.300 nan 0.000 0.519 268 L N 0.683 121.888 121.223 -0.030 0.000 2.446 268 L HA 0.145 4.486 4.340 0.002 0.000 0.219 268 L C 2.365 179.219 176.870 -0.026 0.000 1.116 268 L CA 1.780 56.603 54.840 -0.029 0.000 0.844 268 L CB -1.284 40.876 42.059 0.168 0.000 0.970 268 L HN 0.314 nan 8.230 nan 0.000 0.457 269 E N -1.305 118.874 120.200 -0.036 0.000 2.122 269 E HA -0.135 4.216 4.350 0.002 0.000 0.190 269 E C 1.778 178.324 176.600 -0.091 0.000 0.977 269 E CA 1.084 57.467 56.400 -0.028 0.000 0.820 269 E CB -0.598 29.099 29.700 -0.005 0.000 0.770 269 E HN 0.453 nan 8.360 nan 0.000 0.462 270 D N -0.010 120.301 120.400 -0.149 0.000 2.178 270 D HA -0.110 4.531 4.640 0.002 0.000 0.201 270 D C 2.022 178.134 176.300 -0.314 0.000 0.980 270 D CA 0.852 54.731 54.000 -0.203 0.000 0.842 270 D CB 0.031 40.723 40.800 -0.180 0.000 0.948 270 D HN 0.128 nan 8.370 nan 0.000 0.472 271 R N 0.253 120.510 120.500 -0.406 0.000 2.127 271 R HA 0.138 4.479 4.340 0.002 0.000 0.217 271 R C 2.219 178.382 176.300 -0.229 0.000 1.074 271 R CA 0.339 56.133 56.100 -0.510 0.000 0.991 271 R CB -0.342 29.445 30.300 -0.856 0.000 0.895 271 R HN 0.235 nan 8.270 nan 0.000 0.450 272 R N 0.301 120.794 120.500 -0.013 0.000 2.148 272 R HA 0.027 4.368 4.340 0.002 0.000 0.227 272 R C 1.625 177.919 176.300 -0.009 0.000 1.103 272 R CA 1.315 57.475 56.100 0.100 0.000 0.983 272 R CB -0.099 30.252 30.300 0.085 0.000 0.874 272 R HN 0.085 nan 8.270 nan 0.000 0.451 273 A N 0.224 122.988 122.820 -0.094 0.000 2.307 273 A HA 0.290 4.612 4.320 0.002 0.000 0.218 273 A C 1.806 179.291 177.584 -0.165 0.000 1.228 273 A CA 0.499 52.474 52.037 -0.103 0.000 0.857 273 A CB 0.016 18.961 19.000 -0.091 0.000 0.897 273 A HN 0.310 nan 8.150 nan 0.000 0.495 274 A N 0.060 122.702 122.820 -0.297 0.000 2.014 274 A HA 0.070 4.391 4.320 0.002 0.000 0.218 274 A C 2.110 179.563 177.584 -0.217 0.000 1.163 274 A CA 1.441 53.213 52.037 -0.441 0.000 0.652 274 A CB -0.872 17.390 19.000 -1.229 0.000 0.808 274 A HN 1.167 nan 8.150 nan 0.000 0.449 275 V N -2.519 117.320 119.914 -0.126 0.000 2.720 275 V HA -0.168 3.954 4.120 0.002 0.000 0.256 275 V C 1.383 177.459 176.094 -0.029 0.000 1.082 275 V CA 2.395 64.669 62.300 -0.044 0.000 1.101 275 V CB -0.496 31.319 31.823 -0.013 0.000 0.693 275 V HN 0.416 nan 8.190 nan 0.000 0.479 276 D N 1.254 121.637 120.400 -0.029 0.000 2.845 276 D HA 0.006 4.647 4.640 0.002 0.000 0.272 276 D C 2.359 178.672 176.300 0.020 0.000 1.275 276 D CA 2.092 56.092 54.000 0.000 0.000 1.029 276 D CB -0.391 40.402 40.800 -0.011 0.000 1.131 276 D HN 0.650 nan 8.370 nan 0.000 0.423 277 T N -1.520 113.019 114.554 -0.024 0.000 3.098 277 T HA -0.134 4.217 4.350 0.002 0.000 0.266 277 T C 1.539 176.234 174.700 -0.010 0.000 1.145 277 T CA 0.812 62.882 62.100 -0.050 0.000 1.092 277 T CB -0.120 68.686 68.868 -0.103 0.000 0.908 277 T HN 0.148 nan 8.240 nan 0.000 0.526 278 Y N -0.688 119.539 120.300 -0.121 0.000 2.886 278 Y HA 0.290 4.842 4.550 0.003 0.000 0.244 278 Y C 2.362 178.309 175.900 0.078 0.000 1.017 278 Y CA -0.581 57.463 58.100 -0.092 0.000 1.389 278 Y CB -0.139 38.140 38.460 -0.301 0.000 1.477 278 Y HN 0.208 nan 8.280 nan 0.000 0.466 279 c N 1.931 120.544 118.600 0.021 0.000 2.548 279 c HA -0.063 4.509 4.570 0.002 0.000 0.284 279 c C 2.619 176.947 174.090 0.396 0.000 1.252 279 c CA 1.266 57.666 56.329 0.118 0.000 1.725 279 c CB -1.122 41.380 42.510 -0.014 0.000 2.098 279 c HN 0.494 nan 8.230 nan 0.000 0.471 280 R N -0.085 120.592 120.500 0.294 0.000 2.133 280 R HA -0.201 4.140 4.340 0.002 0.000 0.247 280 R C 2.003 178.423 176.300 0.199 0.000 1.151 280 R CA 2.134 58.411 56.100 0.295 0.000 0.971 280 R CB -0.904 29.477 30.300 0.134 0.000 0.866 280 R HN 0.731 nan 8.270 nan 0.000 0.447 281 H N 1.297 120.411 119.070 0.072 0.000 2.253 281 H HA -0.084 4.474 4.556 0.003 0.000 0.296 281 H C 1.858 177.187 175.328 0.001 0.000 1.067 281 H CA 2.167 58.230 56.048 0.024 0.000 1.245 281 H CB -0.233 29.529 29.762 0.000 0.000 1.364 281 H HN 0.086 nan 8.280 nan 0.000 0.494 282 N N -0.307 118.387 118.700 -0.010 0.000 2.137 282 N HA -0.226 4.515 4.740 0.002 0.000 0.190 282 N C 1.860 177.265 175.510 -0.175 0.000 1.017 282 N CA 1.467 54.441 53.050 -0.126 0.000 0.859 282 N CB -0.851 37.544 38.487 -0.154 0.000 1.002 282 N HN 0.471 nan 8.380 nan 0.000 0.428 283 Y N 1.319 121.461 120.300 -0.264 0.000 2.081 283 Y HA -0.177 4.375 4.550 0.003 0.000 0.280 283 Y C 2.386 178.058 175.900 -0.380 0.000 1.163 283 Y CA 2.148 59.955 58.100 -0.488 0.000 1.135 283 Y CB -0.819 37.164 38.460 -0.795 0.000 0.970 283 Y HN 0.058 nan 8.280 nan 0.000 0.498 284 G N -1.273 107.537 108.800 0.017 0.000 2.509 284 G HA2 -0.139 3.822 3.960 0.002 0.000 0.218 284 G HA3 -0.139 3.822 3.960 0.002 0.000 0.218 284 G C 1.498 176.267 174.900 -0.217 0.000 1.124 284 G CA 0.957 46.017 45.100 -0.066 0.000 0.776 284 G HN 0.391 nan 8.290 nan 0.000 0.547 285 V N 0.390 120.122 119.914 -0.302 0.000 3.129 285 V HA 0.145 4.266 4.120 0.002 0.000 0.259 285 V C 2.562 178.480 176.094 -0.294 0.000 1.116 285 V CA 1.693 63.832 62.300 -0.269 0.000 1.127 285 V CB 0.475 32.133 31.823 -0.276 0.000 0.742 285 V HN 0.422 nan 8.190 nan 0.000 0.474 286 G N -1.450 107.037 108.800 -0.522 0.000 2.781 286 G HA2 -0.021 3.940 3.960 0.002 0.000 0.208 286 G HA3 -0.021 3.940 3.960 0.002 0.000 0.208 286 G C 1.223 175.479 174.900 -1.074 0.000 1.099 286 G CA 0.544 44.986 45.100 -1.096 0.000 0.776 286 G HN 0.386 nan 8.290 nan 0.000 0.532 287 E N 1.265 121.059 120.200 -0.677 0.000 2.332 287 E HA -0.415 3.936 4.350 0.002 0.000 0.243 287 E C 2.320 178.675 176.600 -0.407 0.000 1.088 287 E CA 2.126 58.210 56.400 -0.527 0.000 1.048 287 E CB -0.662 28.869 29.700 -0.282 0.000 0.911 287 E HN 0.304 nan 8.360 nan 0.000 0.487 288 S N -0.579 114.949 115.700 -0.287 0.000 2.392 288 S HA -0.204 4.267 4.470 0.002 0.000 0.232 288 S C 1.498 176.084 174.600 -0.024 0.000 1.041 288 S CA 1.938 60.084 58.200 -0.090 0.000 1.026 288 S CB -0.517 62.721 63.200 0.064 0.000 0.845 288 S HN 0.472 nan 8.310 nan 0.000 0.465 289 F N -0.039 119.788 119.950 -0.206 0.000 2.735 289 F HA 0.501 5.029 4.527 0.001 0.000 0.308 289 F C 1.150 176.747 175.800 -0.339 0.000 1.112 289 F CA 0.111 57.948 58.000 -0.272 0.000 1.235 289 F CB -0.381 38.427 39.000 -0.320 0.000 1.027 289 F HN 0.193 nan 8.300 nan 0.000 0.528 290 T N -2.736 111.603 114.554 -0.357 0.000 3.400 290 T HA 0.061 4.412 4.350 0.002 0.000 0.228 290 T C 1.693 176.375 174.700 -0.029 0.000 0.992 290 T CA 0.967 62.968 62.100 -0.165 0.000 1.222 290 T CB -0.831 67.909 68.868 -0.214 0.000 1.236 290 T HN 0.071 nan 8.240 nan 0.000 0.357 291 V N 0.843 120.648 119.914 -0.182 0.000 2.490 291 V HA 0.016 4.137 4.120 0.002 0.000 0.250 291 V C 1.790 177.878 176.094 -0.011 0.000 1.061 291 V CA 1.557 63.797 62.300 -0.099 0.000 1.064 291 V CB -1.356 30.316 31.823 -0.251 0.000 0.670 291 V HN 0.544 nan 8.190 nan 0.000 0.461 292 Q N 0.492 120.259 119.800 -0.054 0.000 2.212 292 Q HA 0.276 4.617 4.340 0.002 0.000 0.213 292 Q C 0.712 176.723 176.000 0.019 0.000 0.874 292 Q CA -0.227 55.570 55.803 -0.009 0.000 0.965 292 Q CB 0.228 28.945 28.738 -0.035 0.000 1.074 292 Q HN 0.658 nan 8.270 nan 0.000 0.473 293 R N 1.104 121.633 120.500 0.048 0.000 2.265 293 R HA 0.376 4.717 4.340 0.002 0.000 0.314 293 R C -0.959 175.450 176.300 0.181 0.000 1.053 293 R CA -0.215 55.905 56.100 0.033 0.000 0.931 293 R CB 0.533 30.741 30.300 -0.153 0.000 1.024 293 R HN -0.043 nan 8.270 nan 0.000 0.457 294 R N 2.418 123.012 120.500 0.156 0.000 2.621 294 R HA 0.468 4.809 4.340 0.002 0.000 0.284 294 R C -1.554 174.880 176.300 0.224 0.000 0.998 294 R CA -0.653 55.600 56.100 0.256 0.000 0.895 294 R CB 2.596 33.007 30.300 0.184 0.000 1.195 294 R HN 0.328 nan 8.270 nan 0.000 0.450 295 V N 1.661 121.763 119.914 0.313 0.000 2.532 295 V HA 0.405 4.526 4.120 0.002 0.000 0.294 295 V C -0.198 175.988 176.094 0.152 0.000 1.036 295 V CA -0.874 61.546 62.300 0.200 0.000 0.876 295 V CB 1.464 33.402 31.823 0.191 0.000 1.012 295 V HN 0.940 nan 8.190 nan 0.000 0.432 296 E N 6.467 126.724 120.200 0.095 0.000 2.529 296 E HA 0.263 4.614 4.350 0.002 0.000 0.259 296 E C -2.382 174.215 176.600 -0.005 0.000 0.966 296 E CA -0.612 55.805 56.400 0.028 0.000 0.937 296 E CB -0.219 29.502 29.700 0.034 0.000 0.923 296 E HN 0.606 nan 8.360 nan 0.000 0.468 297 P HA 0.267 nan 4.420 nan 0.000 0.309 297 P C -0.385 176.917 177.300 0.004 0.000 1.423 297 P CA 0.186 63.266 63.100 -0.033 0.000 0.814 297 P CB 0.322 31.892 31.700 -0.217 0.000 1.900 298 K N -1.258 119.133 120.400 -0.014 0.000 2.361 298 K HA 0.265 4.586 4.320 0.002 0.000 0.348 298 K C -1.703 174.893 176.600 -0.006 0.000 1.382 298 K CA -0.372 55.915 56.287 -0.000 0.000 1.184 298 K CB -0.555 31.962 32.500 0.029 0.000 1.420 298 K HN 0.136 nan 8.250 nan 0.000 0.460 299 V N 3.166 123.061 119.914 -0.032 0.000 2.547 299 V HA 0.832 4.954 4.120 0.002 0.000 0.299 299 V C 0.670 176.763 176.094 -0.000 0.000 1.040 299 V CA 0.045 62.321 62.300 -0.040 0.000 0.913 299 V CB 1.861 33.619 31.823 -0.109 0.000 0.992 299 V HN 1.029 nan 8.190 nan 0.000 0.449 300 T N 1.134 115.709 114.554 0.035 0.000 2.883 300 T HA 0.820 5.171 4.350 0.002 0.000 0.296 300 T C -1.201 173.570 174.700 0.118 0.000 1.117 300 T CA -0.650 61.504 62.100 0.090 0.000 1.006 300 T CB 1.991 70.932 68.868 0.123 0.000 1.191 300 T HN 0.395 nan 8.240 nan 0.000 0.508 301 V N 2.840 122.848 119.914 0.158 0.000 2.656 301 V HA 0.796 4.917 4.120 0.002 0.000 0.307 301 V C -1.384 174.793 176.094 0.137 0.000 1.051 301 V CA -0.945 61.417 62.300 0.103 0.000 0.893 301 V CB 1.128 33.032 31.823 0.135 0.000 0.999 301 V HN 1.099 nan 8.190 nan 0.000 0.426 302 Y N 3.445 123.658 120.300 -0.146 0.000 2.521 302 Y HA 0.781 5.331 4.550 -0.000 0.000 0.332 302 Y C -3.154 172.553 175.900 -0.322 0.000 1.121 302 Y CA -2.945 55.033 58.100 -0.204 0.000 1.037 302 Y CB 1.831 40.243 38.460 -0.080 0.000 1.330 302 Y HN 0.448 nan 8.280 nan 0.000 0.452 303 P HA 0.310 nan 4.420 nan 0.000 0.282 303 P C 0.164 177.385 177.300 -0.132 0.000 1.274 303 P CA 0.311 63.175 63.100 -0.394 0.000 0.770 303 P CB 1.328 32.824 31.700 -0.339 0.000 0.867 313 N N 1.696 120.386 118.700 -0.016 0.000 2.354 313 N HA 0.679 5.421 4.740 0.002 0.000 0.246 313 N C 0.100 175.536 175.510 -0.123 0.000 1.285 313 N CA 0.337 53.371 53.050 -0.027 0.000 0.925 313 N CB 0.836 39.353 38.487 0.050 0.000 1.174 313 N HN 0.626 nan 8.380 nan 0.000 0.478 314 L N 0.070 121.192 121.223 -0.169 0.000 2.346 314 L HA 0.876 5.217 4.340 0.002 0.000 0.274 314 L C 0.206 176.815 176.870 -0.436 0.000 1.007 314 L CA -0.723 53.964 54.840 -0.255 0.000 0.818 314 L CB 0.477 42.431 42.059 -0.174 0.000 1.284 314 L HN 0.907 nan 8.230 nan 0.000 0.424 315 L N 2.656 123.582 121.223 -0.495 0.000 2.436 315 L HA 1.003 5.344 4.340 0.002 0.000 0.268 315 L C -0.574 176.062 176.870 -0.391 0.000 0.974 315 L CA -0.755 53.714 54.840 -0.619 0.000 0.826 315 L CB 1.422 42.913 42.059 -0.945 0.000 1.291 315 L HN 0.556 nan 8.230 nan 0.000 0.406 316 V N 1.329 121.006 119.914 -0.394 0.000 2.524 316 V HA 0.650 4.772 4.120 0.002 0.000 0.297 316 V C -0.066 175.849 176.094 -0.298 0.000 1.035 316 V CA -0.633 61.452 62.300 -0.359 0.000 0.867 316 V CB 1.423 32.813 31.823 -0.721 0.000 1.004 316 V HN 1.570 nan 8.190 nan 0.000 0.426 317 c N 4.122 122.719 118.600 -0.006 0.000 2.239 317 c HA 0.743 5.315 4.570 0.002 0.000 0.325 317 c C 0.717 174.756 174.090 -0.086 0.000 1.231 317 c CA -0.100 56.135 56.329 -0.157 0.000 1.652 317 c CB -0.214 41.990 42.510 -0.510 0.000 2.284 317 c HN 1.043 nan 8.230 nan 0.000 0.499 318 S N 4.792 120.496 115.700 0.008 0.000 2.422 318 S HA 0.576 5.048 4.470 0.002 0.000 0.308 318 S C -0.584 174.041 174.600 0.042 0.000 1.097 318 S CA -0.421 57.832 58.200 0.089 0.000 1.099 318 S CB 0.604 63.947 63.200 0.237 0.000 0.976 318 S HN 0.705 nan 8.310 nan 0.000 0.471 319 V N 7.580 127.515 119.914 0.035 0.000 2.318 319 V HA 0.430 4.551 4.120 0.002 0.000 0.271 319 V C -0.049 176.178 176.094 0.222 0.000 1.030 319 V CA -0.766 61.539 62.300 0.008 0.000 0.844 319 V CB 0.701 32.408 31.823 -0.193 0.000 1.015 319 V HN 0.801 nan 8.190 nan 0.000 0.460 320 N N 3.286 122.105 118.700 0.198 0.000 2.335 320 N HA 0.463 5.204 4.740 0.002 0.000 0.304 320 N C 0.902 176.560 175.510 0.247 0.000 1.135 320 N CA 0.130 53.320 53.050 0.234 0.000 0.817 320 N CB 2.074 40.636 38.487 0.126 0.000 1.294 320 N HN 0.881 nan 8.380 nan 0.000 0.497 321 G N 1.036 109.946 108.800 0.183 0.000 2.273 321 G HA2 -0.254 3.707 3.960 0.002 0.000 0.280 321 G HA3 -0.254 3.707 3.960 0.002 0.000 0.280 321 G C -0.170 174.841 174.900 0.184 0.000 1.047 321 G CA 0.742 45.921 45.100 0.131 0.000 0.869 321 G HN 0.593 nan 8.290 nan 0.000 0.502 322 F N -1.934 118.064 119.950 0.080 0.000 2.509 322 F HA 0.918 5.447 4.527 0.004 0.000 0.334 322 F C -0.279 175.703 175.800 0.304 0.000 1.060 322 F CA -2.418 55.583 58.000 0.002 0.000 0.997 322 F CB 1.366 40.154 39.000 -0.354 0.000 1.271 322 F HN 0.227 nan 8.300 nan 0.000 0.488 323 Y N 0.762 121.282 120.300 0.367 0.000 2.457 323 Y HA 0.419 4.969 4.550 0.001 0.000 0.322 323 Y C -3.078 173.134 175.900 0.519 0.000 1.218 323 Y CA -2.466 55.883 58.100 0.416 0.000 1.116 323 Y CB 1.780 40.454 38.460 0.356 0.000 1.335 323 Y HN 0.408 nan 8.280 nan 0.000 0.452 324 P HA 0.247 nan 4.420 nan 0.000 0.282 324 P C 0.467 177.395 177.300 -0.621 0.000 1.286 324 P CA 0.731 63.479 63.100 -0.586 0.000 0.777 324 P CB 0.777 32.286 31.700 -0.319 0.000 1.184 325 G N -1.558 106.538 108.800 -1.174 0.000 2.650 325 G HA2 0.009 3.970 3.960 0.002 0.000 0.214 325 G HA3 0.009 3.970 3.960 0.002 0.000 0.214 325 G C 0.796 175.436 174.900 -0.432 0.000 1.136 325 G CA 0.565 44.810 45.100 -1.424 0.000 0.789 325 G HN 0.708 nan 8.290 nan 0.000 0.536 326 S N 0.031 115.563 115.700 -0.280 0.000 2.430 326 S HA 0.651 5.122 4.470 0.002 0.000 0.282 326 S C -0.270 174.272 174.600 -0.097 0.000 1.186 326 S CA -0.045 58.065 58.200 -0.150 0.000 1.060 326 S CB 0.275 63.391 63.200 -0.140 0.000 0.966 326 S HN 0.311 nan 8.310 nan 0.000 0.501 327 I N 1.040 121.577 120.570 -0.055 0.000 3.066 327 I HA 0.725 4.897 4.170 0.002 0.000 0.307 327 I C -0.805 175.259 176.117 -0.088 0.000 1.366 327 I CA -0.444 60.814 61.300 -0.069 0.000 0.972 327 I CB 2.151 40.066 38.000 -0.142 0.000 1.307 327 I HN 0.579 nan 8.210 nan 0.000 0.470 328 E N 4.112 124.247 120.200 -0.109 0.000 2.263 328 E HA 0.679 5.031 4.350 0.002 0.000 0.268 328 E C -2.027 174.495 176.600 -0.129 0.000 0.884 328 E CA -0.470 55.876 56.400 -0.090 0.000 0.766 328 E CB 2.315 31.981 29.700 -0.056 0.000 1.196 328 E HN 0.389 nan 8.360 nan 0.000 0.416 329 V N 1.131 120.971 119.914 -0.123 0.000 2.495 329 V HA 0.992 5.113 4.120 0.002 0.000 0.298 329 V C 0.466 176.483 176.094 -0.127 0.000 1.031 329 V CA -0.257 61.936 62.300 -0.178 0.000 0.871 329 V CB 1.192 32.886 31.823 -0.215 0.000 0.988 329 V HN 1.187 nan 8.190 nan 0.000 0.432 330 R N 2.616 123.015 120.500 -0.170 0.000 2.750 330 R HA 0.717 5.059 4.340 0.002 0.000 0.281 330 R C -1.471 174.821 176.300 -0.013 0.000 0.972 330 R CA -0.720 55.380 56.100 0.000 0.000 0.912 330 R CB 1.221 31.604 30.300 0.137 0.000 1.187 330 R HN 0.836 nan 8.270 nan 0.000 0.464 331 W N 2.392 123.841 121.300 0.248 0.000 2.361 331 W HA 0.675 5.338 4.660 0.005 0.000 0.314 331 W C -1.056 175.765 176.519 0.504 0.000 1.041 331 W CA -0.618 56.882 57.345 0.257 0.000 1.241 331 W CB 1.590 31.121 29.460 0.119 0.000 1.279 331 W HN 0.521 nan 8.180 nan 0.000 0.436 332 F N 2.718 122.905 119.950 0.394 0.000 2.492 332 F HA 0.549 5.082 4.527 0.009 0.000 0.327 332 F C 0.167 176.144 175.800 0.296 0.000 1.079 332 F CA -1.989 56.167 58.000 0.260 0.000 0.967 332 F CB 1.936 41.034 39.000 0.164 0.000 1.169 332 F HN 0.126 nan 8.300 nan 0.000 0.472 333 R N 2.320 123.011 120.500 0.318 0.000 2.412 333 R HA 0.314 4.655 4.340 0.002 0.000 0.304 333 R C -0.027 176.337 176.300 0.106 0.000 1.066 333 R CA -0.076 56.156 56.100 0.219 0.000 0.923 333 R CB 0.209 30.615 30.300 0.176 0.000 1.156 333 R HN 0.872 nan 8.270 nan 0.000 0.513 334 N N 2.084 120.841 118.700 0.095 0.000 2.030 334 N HA -0.351 4.390 4.740 0.002 0.000 0.222 334 N C 0.300 175.858 175.510 0.079 0.000 0.773 334 N CA 2.744 55.826 53.050 0.054 0.000 3.553 334 N CB -0.880 37.604 38.487 -0.005 0.000 0.757 334 N HN 0.715 nan 8.380 nan 0.000 0.362 335 S N -1.846 113.893 115.700 0.066 0.000 2.865 335 S HA 0.614 5.086 4.470 0.002 0.000 0.229 335 S C -0.094 174.473 174.600 -0.054 0.000 0.759 335 S CA 0.609 58.837 58.200 0.046 0.000 1.142 335 S CB -0.347 62.869 63.200 0.025 0.000 1.380 335 S HN 0.848 nan 8.310 nan 0.000 0.525 336 Q N -0.234 119.487 119.800 -0.131 0.000 2.284 336 Q HA 0.777 5.119 4.340 0.002 0.000 0.269 336 Q C -0.577 175.092 176.000 -0.552 0.000 1.026 336 Q CA -0.034 55.595 55.803 -0.289 0.000 0.831 336 Q CB -0.036 28.618 28.738 -0.139 0.000 1.322 336 Q HN 1.433 nan 8.270 nan 0.000 0.419 337 E N 2.408 122.084 120.200 -0.874 0.000 1.775 337 E HA 0.353 4.704 4.350 0.002 0.000 0.266 337 E C -0.361 176.102 176.600 -0.229 0.000 1.191 337 E CA -0.502 55.361 56.400 -0.894 0.000 1.048 337 E CB -0.277 28.972 29.700 -0.752 0.000 1.081 337 E HN 0.537 nan 8.360 nan 0.000 0.434 338 E N 1.082 121.242 120.200 -0.067 0.000 2.037 338 E HA 0.179 4.531 4.350 0.002 0.000 0.253 338 E C 0.310 176.947 176.600 0.061 0.000 1.265 338 E CA 0.264 56.672 56.400 0.014 0.000 0.972 338 E CB -0.479 29.253 29.700 0.053 0.000 1.054 338 E HN 0.558 nan 8.360 nan 0.000 0.432 339 K N 1.152 121.571 120.400 0.031 0.000 2.535 339 K HA 0.594 4.915 4.320 0.002 0.000 0.242 339 K C -0.127 176.491 176.600 0.030 0.000 1.210 339 K CA -0.067 56.251 56.287 0.051 0.000 1.178 339 K CB 0.374 32.898 32.500 0.040 0.000 1.778 339 K HN 0.587 nan 8.250 nan 0.000 0.372 340 A N -0.903 121.932 122.820 0.025 0.000 2.573 340 A HA 0.688 5.009 4.320 0.002 0.000 0.299 340 A C 0.672 178.251 177.584 -0.010 0.000 1.060 340 A CA 0.114 52.155 52.037 0.007 0.000 0.736 340 A CB 0.334 19.334 19.000 -0.001 0.000 1.280 340 A HN 2.018 nan 8.150 nan 0.000 0.401 341 G N 0.067 108.859 108.800 -0.014 0.000 2.248 341 G HA2 0.194 4.156 3.960 0.002 0.000 0.263 341 G HA3 0.194 4.156 3.960 0.002 0.000 0.263 341 G C -0.094 174.774 174.900 -0.053 0.000 1.082 341 G CA 0.353 45.431 45.100 -0.037 0.000 0.863 341 G HN 2.028 nan 8.290 nan 0.000 0.495 342 V N -1.359 118.546 119.914 -0.015 0.000 2.524 342 V HA 0.677 4.799 4.120 0.002 0.000 0.297 342 V C 0.436 176.550 176.094 0.034 0.000 1.035 342 V CA -1.203 61.101 62.300 0.006 0.000 0.867 342 V CB 1.742 33.617 31.823 0.086 0.000 1.004 342 V HN 0.340 nan 8.190 nan 0.000 0.426 343 V N 2.893 122.819 119.914 0.021 0.000 2.743 343 V HA 0.739 4.860 4.120 0.002 0.000 0.301 343 V C 0.453 176.577 176.094 0.050 0.000 1.057 343 V CA 0.048 62.364 62.300 0.028 0.000 1.006 343 V CB 1.888 33.718 31.823 0.010 0.000 1.024 343 V HN 0.989 nan 8.190 nan 0.000 0.473 344 S N 0.672 116.401 115.700 0.048 0.000 2.570 344 S HA 0.400 4.871 4.470 0.002 0.000 0.286 344 S C 0.813 175.443 174.600 0.051 0.000 1.099 344 S CA 0.121 58.354 58.200 0.056 0.000 0.913 344 S CB 2.012 65.246 63.200 0.057 0.000 1.085 344 S HN 1.012 nan 8.310 nan 0.000 0.480 345 T N 0.818 115.407 114.554 0.059 0.000 3.113 345 T HA 0.457 4.808 4.350 0.002 0.000 0.256 345 T C 1.250 175.991 174.700 0.068 0.000 1.131 345 T CA 0.790 62.927 62.100 0.061 0.000 1.074 345 T CB -0.986 67.924 68.868 0.071 0.000 0.944 345 T HN 1.795 nan 8.240 nan 0.000 0.516 346 G N 1.097 109.941 108.800 0.072 0.000 2.741 346 G HA2 -0.086 3.876 3.960 0.002 0.000 0.222 346 G HA3 -0.086 3.876 3.960 0.002 0.000 0.222 346 G C -0.756 174.214 174.900 0.117 0.000 1.364 346 G CA -0.416 44.731 45.100 0.079 0.000 0.866 346 G HN 0.716 nan 8.290 nan 0.000 0.555 347 L N 0.256 121.559 121.223 0.132 0.000 2.319 347 L HA 0.724 5.065 4.340 0.002 0.000 0.280 347 L C 0.381 177.374 176.870 0.205 0.000 1.099 347 L CA -0.230 54.736 54.840 0.210 0.000 0.828 347 L CB 0.620 42.785 42.059 0.177 0.000 1.150 347 L HN 0.462 nan 8.230 nan 0.000 0.442 348 I N 3.827 124.522 120.570 0.208 0.000 2.418 348 I HA 0.204 4.375 4.170 0.002 0.000 0.287 348 I C -0.160 175.907 176.117 -0.083 0.000 1.008 348 I CA -0.723 60.621 61.300 0.072 0.000 1.104 348 I CB 1.728 39.757 38.000 0.047 0.000 1.264 348 I HN 0.409 nan 8.210 nan 0.000 0.438 349 Q N 3.624 123.293 119.800 -0.218 0.000 2.311 349 Q HA 0.082 4.424 4.340 0.002 0.000 0.272 349 Q C 0.512 176.317 176.000 -0.325 0.000 1.012 349 Q CA 0.147 55.663 55.803 -0.480 0.000 0.891 349 Q CB 0.999 29.514 28.738 -0.371 0.000 1.201 349 Q HN 0.622 nan 8.270 nan 0.000 0.391 350 N N 0.906 119.385 118.700 -0.369 0.000 2.388 350 N HA 0.201 4.943 4.740 0.002 0.000 0.176 350 N C 1.150 176.564 175.510 -0.159 0.000 1.062 350 N CA 0.941 53.870 53.050 -0.201 0.000 0.895 350 N CB 0.788 39.184 38.487 -0.153 0.000 1.018 350 N HN 0.833 nan 8.380 nan 0.000 0.456 351 G N 0.529 109.203 108.800 -0.210 0.000 2.232 351 G HA2 -0.237 3.725 3.960 0.002 0.000 0.226 351 G HA3 -0.237 3.725 3.960 0.002 0.000 0.226 351 G C -0.227 174.630 174.900 -0.073 0.000 0.996 351 G CA 0.361 45.374 45.100 -0.144 0.000 0.626 351 G HN 0.490 nan 8.290 nan 0.000 0.509 352 D N -1.123 119.259 120.400 -0.030 0.000 2.980 352 D HA 0.314 4.955 4.640 0.002 0.000 0.333 352 D C 0.474 176.923 176.300 0.249 0.000 1.356 352 D CA -1.152 52.921 54.000 0.121 0.000 0.847 352 D CB -1.025 39.820 40.800 0.075 0.000 1.122 352 D HN 0.551 nan 8.370 nan 0.000 0.475 353 W N 0.859 122.136 121.300 -0.039 0.000 5.770 353 W HA -0.230 4.430 4.660 0.001 0.000 0.389 353 W C -0.067 176.558 176.519 0.176 0.000 1.469 353 W CA 1.171 58.545 57.345 0.050 0.000 0.975 353 W CB -2.560 26.837 29.460 -0.105 0.000 2.622 353 W HN 0.394 nan 8.180 nan 0.000 1.500 354 T N -3.384 111.271 114.554 0.168 0.000 2.982 354 T HA 0.738 5.089 4.350 0.002 0.000 0.321 354 T C -0.450 174.148 174.700 -0.170 0.000 1.229 354 T CA -1.125 61.059 62.100 0.140 0.000 1.044 354 T CB 1.833 70.757 68.868 0.092 0.000 1.184 354 T HN -0.091 nan 8.240 nan 0.000 0.477 355 F N 1.007 120.636 119.950 -0.536 0.000 2.544 355 F HA 0.839 5.368 4.527 0.002 0.000 0.378 355 F C 0.526 175.955 175.800 -0.618 0.000 1.112 355 F CA -0.677 56.901 58.000 -0.703 0.000 1.115 355 F CB 1.292 39.636 39.000 -1.094 0.000 1.436 355 F HN 0.959 nan 8.300 nan 0.000 0.496 356 Q N -0.834 118.953 119.800 -0.022 0.000 2.647 356 Q HA 0.590 4.931 4.340 0.002 0.000 0.283 356 Q C -1.598 174.618 176.000 0.361 0.000 0.943 356 Q CA -1.041 54.949 55.803 0.311 0.000 0.813 356 Q CB 2.290 31.121 28.738 0.154 0.000 1.477 356 Q HN 0.694 nan 8.270 nan 0.000 0.393 357 T N 0.583 115.333 114.554 0.327 0.000 2.977 357 T HA 0.534 4.885 4.350 0.002 0.000 0.345 357 T C -2.026 172.747 174.700 0.122 0.000 1.562 357 T CA -0.663 61.560 62.100 0.205 0.000 1.090 357 T CB 1.239 70.236 68.868 0.216 0.000 1.383 357 T HN 0.613 nan 8.240 nan 0.000 0.484 358 L N 3.904 125.183 121.223 0.093 0.000 2.381 358 L HA 0.775 5.117 4.340 0.002 0.000 0.274 358 L C -0.152 176.753 176.870 0.057 0.000 0.988 358 L CA -1.434 53.446 54.840 0.067 0.000 0.824 358 L CB 1.923 44.034 42.059 0.088 0.000 1.263 358 L HN 0.583 nan 8.230 nan 0.000 0.410 359 V N 0.776 120.723 119.914 0.056 0.000 2.370 359 V HA 0.526 4.648 4.120 0.002 0.000 0.283 359 V C 0.099 176.329 176.094 0.227 0.000 1.023 359 V CA -0.654 61.724 62.300 0.129 0.000 0.857 359 V CB 1.494 33.393 31.823 0.126 0.000 0.985 359 V HN 0.688 nan 8.190 nan 0.000 0.443 360 M N 6.439 126.114 119.600 0.125 0.000 2.063 360 M HA 0.472 4.954 4.480 0.002 0.000 0.348 360 M C -0.678 175.586 176.300 -0.060 0.000 1.180 360 M CA -0.728 54.586 55.300 0.024 0.000 1.059 360 M CB 1.015 33.596 32.600 -0.031 0.000 1.544 360 M HN 0.604 nan 8.290 nan 0.000 0.447 361 L N 3.326 124.384 121.223 -0.275 0.000 2.312 361 L HA 0.579 4.921 4.340 0.002 0.000 0.281 361 L C -0.057 176.533 176.870 -0.466 0.000 1.070 361 L CA 0.389 54.869 54.840 -0.601 0.000 0.805 361 L CB 1.370 42.464 42.059 -1.608 0.000 1.174 361 L HN 0.921 nan 8.230 nan 0.000 0.434 362 E N 2.907 122.907 120.200 -0.334 0.000 2.255 362 E HA 0.588 4.940 4.350 0.002 0.000 0.245 362 E C -0.331 176.149 176.600 -0.202 0.000 0.909 362 E CA -0.323 55.934 56.400 -0.239 0.000 0.747 362 E CB 0.934 30.547 29.700 -0.145 0.000 1.215 362 E HN 0.748 nan 8.360 nan 0.000 0.424 363 T N -2.858 111.566 114.554 -0.215 0.000 2.816 363 T HA 0.687 5.038 4.350 0.002 0.000 0.299 363 T C -0.016 174.669 174.700 -0.024 0.000 1.230 363 T CA -0.080 61.961 62.100 -0.099 0.000 1.007 363 T CB 0.776 69.613 68.868 -0.050 0.000 1.289 363 T HN 1.178 nan 8.240 nan 0.000 0.508 364 V N -1.482 118.467 119.914 0.059 0.000 2.432 364 V HA 0.875 4.996 4.120 0.002 0.000 0.275 364 V C -1.511 174.701 176.094 0.196 0.000 1.043 364 V CA -1.405 60.950 62.300 0.091 0.000 0.925 364 V CB -0.029 31.829 31.823 0.059 0.000 0.985 364 V HN 1.213 nan 8.190 nan 0.000 0.466 365 P HA 0.849 nan 4.420 nan 0.000 0.276 365 P C -0.348 177.032 177.300 0.133 0.000 1.252 365 P CA 0.431 63.721 63.100 0.317 0.000 0.802 365 P CB 0.901 32.827 31.700 0.377 0.000 1.035 370 V N 1.515 121.187 119.914 -0.403 0.000 2.735 370 V HA 0.521 4.643 4.120 0.002 0.000 0.276 370 V C -2.054 174.011 176.094 -0.049 0.000 1.083 370 V CA -0.571 61.612 62.300 -0.194 0.000 0.923 370 V CB 0.264 32.042 31.823 -0.074 0.000 1.053 370 V HN 0.574 nan 8.190 nan 0.000 0.471 371 Y N 3.076 123.512 120.300 0.227 0.000 2.419 371 Y HA 0.939 5.489 4.550 -0.000 0.000 0.328 371 Y C 0.603 176.773 175.900 0.450 0.000 1.162 371 Y CA -1.258 57.034 58.100 0.319 0.000 1.174 371 Y CB 1.782 40.400 38.460 0.264 0.000 1.228 371 Y HN 0.488 nan 8.280 nan 0.000 0.473 372 T N 0.458 115.409 114.554 0.661 0.000 2.883 372 T HA 0.321 4.672 4.350 0.002 0.000 0.301 372 T C -1.387 173.419 174.700 0.177 0.000 1.158 372 T CA -0.622 61.735 62.100 0.428 0.000 1.007 372 T CB 1.736 70.734 68.868 0.217 0.000 1.186 372 T HN 0.868 nan 8.240 nan 0.000 0.499 373 c N 2.616 121.079 118.600 -0.228 0.000 2.330 373 c HA 0.808 5.380 4.570 0.002 0.000 0.344 373 c C 0.389 174.250 174.090 -0.382 0.000 1.273 373 c CA 0.104 56.060 56.329 -0.623 0.000 1.879 373 c CB -0.748 41.279 42.510 -0.804 0.000 2.376 373 c HN 1.015 nan 8.230 nan 0.000 0.534 374 Q N 4.178 123.726 119.800 -0.421 0.000 2.333 374 Q HA 0.677 5.018 4.340 0.002 0.000 0.268 374 Q C -1.290 174.518 176.000 -0.319 0.000 1.007 374 Q CA -0.434 55.136 55.803 -0.389 0.000 0.810 374 Q CB 1.580 29.951 28.738 -0.612 0.000 1.264 374 Q HN 0.843 nan 8.270 nan 0.000 0.452 375 V N 0.967 120.730 119.914 -0.252 0.000 2.487 375 V HA 0.927 5.048 4.120 0.002 0.000 0.298 375 V C -0.012 175.988 176.094 -0.156 0.000 1.028 375 V CA -0.324 61.844 62.300 -0.220 0.000 0.860 375 V CB 1.252 32.933 31.823 -0.237 0.000 0.991 375 V HN 1.072 nan 8.190 nan 0.000 0.427 376 E N 2.895 123.018 120.200 -0.128 0.000 2.218 376 E HA 0.657 5.009 4.350 0.002 0.000 0.263 376 E C -1.237 175.347 176.600 -0.026 0.000 0.879 376 E CA -0.774 55.584 56.400 -0.070 0.000 0.762 376 E CB 1.935 31.594 29.700 -0.068 0.000 1.166 376 E HN 0.888 nan 8.360 nan 0.000 0.415 377 H N 3.853 122.854 119.070 -0.115 0.000 2.930 377 H HA 0.414 4.971 4.556 0.001 0.000 0.371 377 H C -2.341 172.967 175.328 -0.035 0.000 1.169 377 H CA -1.975 54.014 56.048 -0.099 0.000 1.157 377 H CB 2.925 32.601 29.762 -0.143 0.000 1.789 377 H HN 0.348 nan 8.280 nan 0.000 0.547 378 P HA -0.142 nan 4.420 nan 0.000 0.229 378 P C 0.559 177.823 177.300 -0.060 0.000 1.147 378 P CA 1.086 64.025 63.100 -0.267 0.000 0.766 378 P CB -0.009 31.498 31.700 -0.323 0.000 0.775 379 S N -2.124 113.677 115.700 0.169 0.000 2.593 379 S HA 0.442 4.913 4.470 0.002 0.000 0.236 379 S C 0.578 175.265 174.600 0.146 0.000 0.991 379 S CA -0.014 58.321 58.200 0.225 0.000 0.963 379 S CB -0.222 63.197 63.200 0.365 0.000 0.865 379 S HN 0.098 nan 8.310 nan 0.000 0.488 380 V N 1.199 121.176 119.914 0.105 0.000 2.716 380 V HA 0.523 4.644 4.120 0.002 0.000 0.284 380 V C 0.975 177.083 176.094 0.023 0.000 1.129 380 V CA -0.447 61.885 62.300 0.054 0.000 0.926 380 V CB 0.847 32.697 31.823 0.045 0.000 1.051 380 V HN 0.245 nan 8.190 nan 0.000 0.458 381 T N 0.690 115.252 114.554 0.013 0.000 2.652 381 T HA -0.069 4.282 4.350 0.002 0.000 0.267 381 T C 1.180 175.875 174.700 -0.008 0.000 1.039 381 T CA 1.732 63.832 62.100 0.001 0.000 1.153 381 T CB -0.481 68.388 68.868 0.002 0.000 0.863 381 T HN 1.980 nan 8.240 nan 0.000 0.428 382 S N 3.933 119.628 115.700 -0.008 0.000 2.430 382 S HA 0.372 4.843 4.470 0.002 0.000 0.282 382 S C -2.420 172.161 174.600 -0.031 0.000 1.186 382 S CA -1.579 56.611 58.200 -0.017 0.000 1.060 382 S CB 0.093 63.285 63.200 -0.013 0.000 0.966 382 S HN 0.404 nan 8.310 nan 0.000 0.501 383 P HA -0.015 nan 4.420 nan 0.000 0.261 383 P C -0.286 176.964 177.300 -0.084 0.000 1.165 383 P CA 0.034 63.089 63.100 -0.075 0.000 0.759 383 P CB 0.365 32.003 31.700 -0.102 0.000 0.772 384 L N 3.200 124.368 121.223 -0.091 0.000 2.436 384 L HA 0.395 4.737 4.340 0.002 0.000 0.265 384 L C 1.244 178.043 176.870 -0.119 0.000 1.168 384 L CA 0.119 54.906 54.840 -0.089 0.000 0.815 384 L CB 0.429 42.435 42.059 -0.088 0.000 1.109 384 L HN 0.518 nan 8.230 nan 0.000 0.462 385 T N -1.578 112.920 114.554 -0.093 0.000 2.900 385 T HA 0.782 5.134 4.350 0.002 0.000 0.303 385 T C -0.606 174.060 174.700 -0.056 0.000 1.142 385 T CA -0.746 61.296 62.100 -0.098 0.000 1.007 385 T CB 1.870 70.686 68.868 -0.085 0.000 1.156 385 T HN 0.633 nan 8.240 nan 0.000 0.490 386 V N -1.186 118.702 119.914 -0.043 0.000 2.663 386 V HA 0.877 4.998 4.120 0.002 0.000 0.286 386 V C -0.346 175.796 176.094 0.081 0.000 1.085 386 V CA -0.469 61.840 62.300 0.015 0.000 0.916 386 V CB 0.780 32.605 31.823 0.003 0.000 1.039 386 V HN 1.436 nan 8.190 nan 0.000 0.453 387 E N 2.737 123.009 120.200 0.121 0.000 2.313 387 E HA 0.686 5.037 4.350 0.002 0.000 0.272 387 E C -1.045 175.733 176.600 0.297 0.000 1.038 387 E CA -0.561 55.958 56.400 0.199 0.000 0.863 387 E CB 1.848 31.627 29.700 0.132 0.000 1.060 387 E HN 1.679 nan 8.360 nan 0.000 0.402 388 W N 3.702 125.113 121.300 0.186 0.000 2.471 388 W HA 0.438 5.096 4.660 -0.002 0.000 0.318 388 W C 0.061 176.686 176.519 0.176 0.000 1.034 388 W CA -1.286 56.170 57.345 0.186 0.000 1.224 388 W CB 1.427 31.026 29.460 0.232 0.000 1.335 388 W HN 0.528 nan 8.180 nan 0.000 0.452 389 R N 5.095 125.292 120.500 -0.506 0.000 2.288 389 R HA 0.505 4.846 4.340 0.002 0.000 0.330 389 R C -0.680 174.949 176.300 -1.117 0.000 1.069 389 R CA 0.436 56.194 56.100 -0.571 0.000 0.941 389 R CB 0.125 30.249 30.300 -0.293 0.000 0.998 389 R HN 0.637 nan 8.270 nan 0.000 0.452 390 A N 0.000 122.269 122.820 -0.919 0.000 2.254 390 A HA 0.000 4.321 4.320 0.002 0.000 0.244 390 A CA 0.000 51.508 52.037 -0.881 0.000 0.836 390 A CB 0.000 18.628 19.000 -0.619 0.000 0.831 390 A HN 0.000 nan 8.150 nan 0.000 0.486