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 2bb2_1_A DATA FIRST_RESID -2 DATA SEQUENCE LNXPKIIIFE QENFQGHSHE LNGPCPNLKE GVEKAGSVLV QAGPWVGYEQ DATA SEQUENCE ANCKGEQFVF EKGEYPRWDS WTSRTDSLSS LRPIKVDSQE HKITLYENPN DATA SEQUENCE FTGKKMEVDD DVPSFHAXHG QEKVSSVRVQ SGTWVGYQYP GYRGLQYLLE DATA SEQUENCE KGDYKDSGDF GAPQPQVQSV RRIRDMQW 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 -2 L HA 0.000 nan 4.340 nan 0.000 0.249 -2 L C 0.000 176.878 176.870 0.014 0.000 1.165 -2 L CA 0.000 54.848 54.840 0.013 0.000 0.813 -2 L CB 0.000 42.066 42.059 0.012 0.000 0.961 2 K N 0.657 121.341 120.400 0.473 0.000 2.588 2 K HA 0.782 5.102 4.320 0.000 0.000 0.250 2 K C -1.942 174.642 176.600 -0.025 0.000 0.972 2 K CA -0.647 55.762 56.287 0.203 0.000 0.821 2 K CB 1.707 34.262 32.500 0.090 0.000 1.249 2 K HN 0.584 nan 8.250 nan 0.000 0.442 3 I N 4.930 125.281 120.570 -0.365 0.000 2.769 3 I HA 0.529 4.699 4.170 0.000 0.000 0.298 3 I C -1.737 174.118 176.117 -0.437 0.000 1.128 3 I CA -1.192 59.747 61.300 -0.602 0.000 1.031 3 I CB 1.643 38.821 38.000 -1.370 0.000 1.235 3 I HN 0.722 nan 8.210 nan 0.000 0.423 4 I N 7.497 127.891 120.570 -0.293 0.000 2.436 4 I HA 0.413 4.583 4.170 0.000 0.000 0.289 4 I C -0.331 175.640 176.117 -0.243 0.000 1.010 4 I CA -0.508 60.620 61.300 -0.287 0.000 1.098 4 I CB 1.804 39.696 38.000 -0.180 0.000 1.266 4 I HN 0.381 nan 8.210 nan 0.000 0.434 5 I N 2.420 122.769 120.570 -0.369 0.000 2.385 5 I HA 0.623 4.793 4.170 0.000 0.000 0.294 5 I C -1.383 174.507 176.117 -0.379 0.000 0.988 5 I CA -0.128 61.029 61.300 -0.239 0.000 1.265 5 I CB 1.043 38.905 38.000 -0.231 0.000 1.388 5 I HN 0.237 nan 8.210 nan 0.000 0.480 6 F N 3.378 123.327 119.950 -0.002 0.000 2.532 6 F HA 0.372 4.899 4.527 0.000 0.000 0.321 6 F C 1.234 177.055 175.800 0.035 0.000 1.089 6 F CA -0.632 57.382 58.000 0.022 0.000 0.926 6 F CB 1.957 41.008 39.000 0.085 0.000 1.168 6 F HN 0.636 nan 8.300 nan 0.000 0.459 7 E N 0.502 120.818 120.200 0.193 0.000 2.204 7 E HA -0.094 4.256 4.350 0.000 0.000 0.194 7 E C -0.052 176.643 176.600 0.159 0.000 0.989 7 E CA 1.000 57.493 56.400 0.156 0.000 0.824 7 E CB 0.324 30.120 29.700 0.159 0.000 0.756 7 E HN 0.594 nan 8.360 nan 0.000 0.477 8 Q N 0.276 120.187 119.800 0.184 0.000 2.351 8 Q HA 0.156 4.496 4.340 0.000 0.000 0.273 8 Q C -0.616 175.417 176.000 0.056 0.000 1.077 8 Q CA -0.645 55.228 55.803 0.116 0.000 0.843 8 Q CB 1.800 30.596 28.738 0.097 0.000 1.367 8 Q HN 0.159 nan 8.270 nan 0.000 0.449 9 E N 1.666 121.863 120.200 -0.004 0.000 2.425 9 E HA -0.118 4.232 4.350 0.000 0.000 0.258 9 E C -0.413 176.053 176.600 -0.223 0.000 1.151 9 E CA -0.037 56.292 56.400 -0.118 0.000 0.958 9 E CB 0.308 29.956 29.700 -0.087 0.000 0.968 9 E HN 0.650 nan 8.360 nan 0.000 0.451 10 N N 1.080 119.525 118.700 -0.425 0.000 2.708 10 N HA -0.247 4.493 4.740 0.000 0.000 0.251 10 N C -0.729 174.518 175.510 -0.438 0.000 1.123 10 N CA 1.227 54.011 53.050 -0.444 0.000 0.739 10 N CB -1.350 37.044 38.487 -0.156 0.000 1.113 10 N HN 0.610 nan 8.380 nan 0.000 0.561 11 F N -2.111 117.614 119.950 -0.375 0.000 3.040 11 F HA -0.228 4.299 4.527 0.000 0.000 0.298 11 F C 0.775 176.309 175.800 -0.444 0.000 0.948 11 F CA 0.685 58.042 58.000 -1.073 0.000 1.022 11 F CB -1.961 36.402 39.000 -1.061 0.000 1.023 11 F HN 0.170 nan 8.300 nan 0.000 0.742 12 Q N 0.277 120.079 119.800 0.002 0.000 2.348 12 Q HA 0.788 5.128 4.340 0.000 0.000 0.271 12 Q C 0.572 176.730 176.000 0.264 0.000 1.067 12 Q CA 0.226 56.114 55.803 0.141 0.000 0.839 12 Q CB 2.214 30.989 28.738 0.060 0.000 1.354 12 Q HN 0.881 nan 8.270 nan 0.000 0.447 13 G N 0.872 109.810 108.800 0.229 0.000 2.615 13 G HA2 -0.270 3.690 3.960 0.000 0.000 0.218 13 G HA3 -0.270 3.690 3.960 0.000 0.000 0.218 13 G C -1.131 173.907 174.900 0.231 0.000 1.339 13 G CA -0.142 45.084 45.100 0.210 0.000 0.884 13 G HN 0.952 nan 8.290 nan 0.000 0.559 14 H N 0.746 119.875 119.070 0.097 0.000 3.004 14 H HA 0.508 5.064 4.556 -0.000 0.000 0.316 14 H C 0.906 176.228 175.328 -0.010 0.000 1.014 14 H CA 1.059 57.134 56.048 0.044 0.000 1.454 14 H CB 0.416 30.194 29.762 0.027 0.000 1.472 14 H HN 1.187 nan 8.280 nan 0.000 0.571 15 S N 3.899 119.209 115.700 -0.650 0.000 2.578 15 S HA 0.431 4.901 4.470 0.000 0.000 0.301 15 S C -1.071 173.041 174.600 -0.814 0.000 1.091 15 S CA -0.764 56.937 58.200 -0.832 0.000 1.032 15 S CB 1.576 64.302 63.200 -0.790 0.000 1.064 15 S HN 0.891 nan 8.310 nan 0.000 0.508 16 H N 0.177 118.807 119.070 -0.733 0.000 3.042 16 H HA 0.426 4.982 4.556 0.000 0.000 0.345 16 H C -1.222 173.883 175.328 -0.371 0.000 1.052 16 H CA -0.323 55.448 56.048 -0.462 0.000 1.311 16 H CB 1.583 31.133 29.762 -0.354 0.000 1.810 16 H HN 0.847 nan 8.280 nan 0.000 0.505 17 E N 5.608 125.377 120.200 -0.718 0.000 2.227 17 E HA 0.381 4.731 4.350 0.000 0.000 0.282 17 E C -1.081 175.315 176.600 -0.339 0.000 1.015 17 E CA -0.607 55.526 56.400 -0.445 0.000 0.823 17 E CB 0.836 30.338 29.700 -0.330 0.000 1.081 17 E HN 0.524 nan 8.360 nan 0.000 0.396 18 L N 4.185 125.292 121.223 -0.192 0.000 2.346 18 L HA 0.418 4.758 4.340 0.000 0.000 0.274 18 L C 0.433 177.363 176.870 0.099 0.000 1.007 18 L CA -0.775 54.047 54.840 -0.030 0.000 0.818 18 L CB 1.731 43.743 42.059 -0.078 0.000 1.284 18 L HN 0.610 nan 8.230 nan 0.000 0.424 19 N N 1.215 120.048 118.700 0.221 0.000 2.160 19 N HA 0.275 5.015 4.740 0.000 0.000 0.226 19 N C 0.026 175.694 175.510 0.262 0.000 1.256 19 N CA 0.057 53.264 53.050 0.262 0.000 0.890 19 N CB 2.455 41.013 38.487 0.119 0.000 1.116 19 N HN 0.822 nan 8.380 nan 0.000 0.517 20 G N 0.811 109.827 108.800 0.360 0.000 2.548 20 G HA2 0.400 4.360 3.960 0.000 0.000 0.301 20 G HA3 0.400 4.360 3.960 0.000 0.000 0.301 20 G C -3.203 171.858 174.900 0.268 0.000 1.349 20 G CA -0.671 44.532 45.100 0.173 0.000 0.792 20 G HN -0.248 nan 8.290 nan 0.000 0.481 21 P HA 0.349 nan 4.420 nan 0.000 0.268 21 P C -0.415 176.977 177.300 0.154 0.000 1.205 21 P CA -0.159 63.037 63.100 0.160 0.000 0.771 21 P CB 1.255 32.994 31.700 0.065 0.000 0.858 22 C N 5.874 125.272 119.300 0.162 0.000 2.653 22 C HA 0.396 4.856 4.460 0.000 0.000 0.291 22 C C -1.526 173.508 174.990 0.072 0.000 1.064 22 C CA -2.307 56.767 59.018 0.093 0.000 1.469 22 C CB 0.221 28.007 27.740 0.077 0.000 1.861 22 C HN 0.438 nan 8.230 nan 0.000 0.434 23 P HA -0.012 nan 4.420 nan 0.000 0.225 23 P C -0.007 177.301 177.300 0.013 0.000 1.148 23 P CA 1.268 64.378 63.100 0.016 0.000 0.779 23 P CB 0.031 31.729 31.700 -0.004 0.000 0.780 24 N N -0.302 118.405 118.700 0.011 0.000 2.701 24 N HA 0.076 4.816 4.740 0.000 0.000 0.258 24 N C 0.507 176.007 175.510 -0.017 0.000 1.262 24 N CA -0.319 52.732 53.050 0.001 0.000 0.780 24 N CB 0.500 38.983 38.487 -0.007 0.000 1.380 24 N HN -0.318 nan 8.380 nan 0.000 0.548 25 L N 3.024 124.239 121.223 -0.014 0.000 2.263 25 L HA -0.158 4.182 4.340 0.000 0.000 0.216 25 L C 2.276 179.105 176.870 -0.068 0.000 1.111 25 L CA 1.595 56.404 54.840 -0.051 0.000 0.773 25 L CB -0.578 41.460 42.059 -0.035 0.000 0.906 25 L HN 0.637 nan 8.230 nan 0.000 0.439 26 K N -0.576 119.800 120.400 -0.040 0.000 2.209 26 K HA -0.132 4.188 4.320 0.000 0.000 0.204 26 K C 0.874 177.437 176.600 -0.061 0.000 1.048 26 K CA 0.918 57.183 56.287 -0.037 0.000 0.940 26 K CB -0.388 32.100 32.500 -0.020 0.000 0.729 26 K HN 0.198 nan 8.250 nan 0.000 0.451 27 E N 1.120 121.276 120.200 -0.072 0.000 3.435 27 E HA -0.066 4.284 4.350 0.000 0.000 0.255 27 E C 0.595 177.097 176.600 -0.164 0.000 1.445 27 E CA 0.806 57.154 56.400 -0.088 0.000 1.460 27 E CB 0.089 29.745 29.700 -0.073 0.000 1.283 27 E HN 0.704 nan 8.360 nan 0.000 0.423 28 G N -0.593 108.167 108.800 -0.067 0.000 2.800 28 G HA2 -0.003 3.957 3.960 0.000 0.000 0.180 28 G HA3 -0.003 3.957 3.960 0.000 0.000 0.180 28 G C 0.215 175.178 174.900 0.106 0.000 1.297 28 G CA -0.250 44.852 45.100 0.003 0.000 0.884 28 G HN 0.155 nan 8.290 nan 0.000 0.869 29 V N 2.419 122.408 119.914 0.124 0.000 2.389 29 V HA 0.182 4.302 4.120 0.000 0.000 0.264 29 V C 1.552 177.679 176.094 0.054 0.000 1.049 29 V CA 0.407 62.788 62.300 0.135 0.000 0.932 29 V CB 1.175 33.017 31.823 0.031 0.000 1.011 29 V HN 0.654 nan 8.190 nan 0.000 0.475 30 E N 5.505 125.739 120.200 0.057 0.000 2.065 30 E HA -0.215 4.135 4.350 0.000 0.000 0.201 30 E C 0.975 177.596 176.600 0.035 0.000 1.016 30 E CA 1.783 58.203 56.400 0.034 0.000 0.818 30 E CB 0.164 29.882 29.700 0.031 0.000 0.749 30 E HN 0.579 nan 8.360 nan 0.000 0.453 31 K N -0.331 120.100 120.400 0.051 0.000 2.652 31 K HA 0.464 4.784 4.320 0.000 0.000 0.249 31 K C -1.574 175.087 176.600 0.101 0.000 0.986 31 K CA -0.186 56.138 56.287 0.060 0.000 0.867 31 K CB 1.499 34.024 32.500 0.042 0.000 1.201 31 K HN 0.252 nan 8.250 nan 0.000 0.450 32 A N 2.577 125.462 122.820 0.109 0.000 2.567 32 A HA 0.226 4.546 4.320 0.000 0.000 0.240 32 A C 0.963 178.739 177.584 0.320 0.000 1.053 32 A CA 0.942 53.073 52.037 0.156 0.000 0.755 32 A CB 0.203 19.224 19.000 0.035 0.000 0.978 32 A HN 0.994 nan 8.150 nan 0.000 0.507 33 G N 0.749 109.731 108.800 0.305 0.000 2.743 33 G HA2 0.398 4.358 3.960 0.000 0.000 0.206 33 G HA3 0.398 4.358 3.960 0.000 0.000 0.206 33 G C 0.414 175.504 174.900 0.316 0.000 1.115 33 G CA 0.918 46.187 45.100 0.283 0.000 0.782 33 G HN 1.693 nan 8.290 nan 0.000 0.524 34 S N -1.181 114.721 115.700 0.337 0.000 2.547 34 S HA 0.676 5.146 4.470 0.000 0.000 0.270 34 S C -1.612 173.219 174.600 0.385 0.000 1.150 34 S CA -0.660 57.670 58.200 0.217 0.000 0.850 34 S CB 2.410 65.341 63.200 -0.448 0.000 1.118 34 S HN 0.358 nan 8.310 nan 0.000 0.461 35 V N 1.943 122.122 119.914 0.442 0.000 2.841 35 V HA 0.739 4.859 4.120 0.000 0.000 0.310 35 V C -1.221 175.241 176.094 0.613 0.000 1.090 35 V CA -0.696 61.809 62.300 0.343 0.000 0.930 35 V CB 1.679 33.364 31.823 -0.229 0.000 1.014 35 V HN 0.995 nan 8.190 nan 0.000 0.425 36 L N 5.221 126.703 121.223 0.432 0.000 2.349 36 L HA 0.767 5.107 4.340 0.000 0.000 0.278 36 L C -0.921 175.998 176.870 0.081 0.000 0.996 36 L CA -0.102 54.898 54.840 0.266 0.000 0.825 36 L CB 1.853 43.948 42.059 0.059 0.000 1.243 36 L HN 0.442 nan 8.230 nan 0.000 0.412 37 V N 6.113 126.100 119.914 0.123 0.000 2.370 37 V HA 0.369 4.489 4.120 0.000 0.000 0.279 37 V C 0.485 176.628 176.094 0.082 0.000 1.029 37 V CA -0.215 62.118 62.300 0.055 0.000 0.870 37 V CB 1.165 33.099 31.823 0.185 0.000 0.984 37 V HN 0.926 nan 8.190 nan 0.000 0.451 38 Q N 3.371 123.201 119.800 0.051 0.000 2.402 38 Q HA 0.447 4.787 4.340 0.000 0.000 0.231 38 Q C 0.543 176.604 176.000 0.102 0.000 0.888 38 Q CA 0.490 56.329 55.803 0.061 0.000 0.938 38 Q CB 1.477 30.230 28.738 0.027 0.000 1.086 38 Q HN 0.782 nan 8.270 nan 0.000 0.543 39 A N 0.589 123.507 122.820 0.163 0.000 2.476 39 A HA 0.694 5.014 4.320 0.000 0.000 0.280 39 A C -0.450 177.325 177.584 0.317 0.000 1.081 39 A CA -0.215 51.933 52.037 0.185 0.000 0.753 39 A CB 1.233 20.321 19.000 0.146 0.000 1.248 39 A HN 0.184 nan 8.150 nan 0.000 0.424 40 G N 1.533 110.491 108.800 0.264 0.000 3.166 40 G HA2 0.865 4.825 3.960 0.000 0.000 0.267 40 G HA3 0.865 4.825 3.960 0.000 0.000 0.267 40 G C -2.781 172.189 174.900 0.117 0.000 1.256 40 G CA -0.969 44.312 45.100 0.301 0.000 0.859 40 G HN 0.614 nan 8.290 nan 0.000 0.590 41 P HA 0.541 nan 4.420 nan 0.000 0.279 41 P C -1.641 175.738 177.300 0.132 0.000 1.276 41 P CA -0.448 62.774 63.100 0.204 0.000 0.801 41 P CB 1.523 33.311 31.700 0.147 0.000 1.127 42 W N -1.165 120.199 121.300 0.106 0.000 2.882 42 W HA 0.529 5.189 4.660 -0.000 0.000 0.345 42 W C -0.991 175.607 176.519 0.132 0.000 1.125 42 W CA -0.541 56.854 57.345 0.083 0.000 1.167 42 W CB 1.834 31.303 29.460 0.014 0.000 1.431 42 W HN 0.078 nan 8.180 nan 0.000 0.543 43 V N 2.549 122.631 119.914 0.282 0.000 2.448 43 V HA 0.897 5.017 4.120 0.000 0.000 0.295 43 V C -0.215 175.912 176.094 0.056 0.000 1.025 43 V CA -0.418 61.940 62.300 0.097 0.000 0.859 43 V CB 0.893 32.651 31.823 -0.107 0.000 0.988 43 V HN 0.606 nan 8.190 nan 0.000 0.431 44 G N 5.080 113.941 108.800 0.101 0.000 2.417 44 G HA2 0.677 4.637 3.960 0.000 0.000 0.334 44 G HA3 0.677 4.637 3.960 0.000 0.000 0.334 44 G C -1.847 172.939 174.900 -0.190 0.000 1.150 44 G CA -0.475 44.730 45.100 0.176 0.000 0.923 44 G HN 0.654 nan 8.290 nan 0.000 0.485 45 Y N -0.744 119.656 120.300 0.166 0.000 2.524 45 Y HA 0.391 4.941 4.550 -0.000 0.000 0.344 45 Y C 1.322 177.317 175.900 0.158 0.000 1.012 45 Y CA -1.039 57.059 58.100 -0.003 0.000 1.068 45 Y CB 2.332 40.777 38.460 -0.025 0.000 1.249 45 Y HN 0.680 nan 8.280 nan 0.000 0.468 46 E N 0.810 121.132 120.200 0.204 0.000 2.077 46 E HA -0.138 4.212 4.350 0.000 0.000 0.193 46 E C -0.357 176.378 176.600 0.226 0.000 0.989 46 E CA 1.253 57.839 56.400 0.309 0.000 0.800 46 E CB 0.340 30.154 29.700 0.189 0.000 0.746 46 E HN 0.742 nan 8.360 nan 0.000 0.452 47 Q N -0.715 119.183 119.800 0.163 0.000 2.418 47 Q HA 0.582 4.922 4.340 0.000 0.000 0.276 47 Q C -0.724 175.319 176.000 0.072 0.000 1.081 47 Q CA -0.770 55.091 55.803 0.097 0.000 0.864 47 Q CB 1.675 30.441 28.738 0.047 0.000 1.384 47 Q HN 0.142 nan 8.270 nan 0.000 0.467 48 A N 1.163 124.006 122.820 0.038 0.000 2.429 48 A HA 0.085 4.405 4.320 0.000 0.000 0.242 48 A C 0.292 177.851 177.584 -0.041 0.000 1.088 48 A CA 0.049 52.093 52.037 0.011 0.000 0.784 48 A CB -0.111 18.893 19.000 0.007 0.000 1.038 48 A HN 0.935 nan 8.150 nan 0.000 0.501 49 N N -1.655 117.009 118.700 -0.061 0.000 2.782 49 N HA -0.200 4.541 4.740 0.000 0.000 0.251 49 N C 0.066 175.429 175.510 -0.245 0.000 1.101 49 N CA 1.076 54.059 53.050 -0.111 0.000 0.764 49 N CB -2.013 36.422 38.487 -0.086 0.000 1.122 49 N HN 1.178 nan 8.380 nan 0.000 0.561 50 C N -1.284 117.806 119.300 -0.349 0.000 4.533 50 C HA -0.172 4.288 4.460 0.000 0.000 0.304 50 C C 0.494 174.930 174.990 -0.923 0.000 1.316 50 C CA 0.902 59.274 59.018 -1.076 0.000 2.053 50 C CB -1.472 25.760 27.740 -0.848 0.000 1.242 50 C HN 0.345 nan 8.230 nan 0.000 0.758 51 K N -0.100 120.066 120.400 -0.391 0.000 2.395 51 K HA 0.831 5.151 4.320 0.000 0.000 0.247 51 K C 0.557 177.177 176.600 0.034 0.000 0.973 51 K CA 0.922 57.125 56.287 -0.139 0.000 0.828 51 K CB 1.465 33.920 32.500 -0.075 0.000 1.272 51 K HN 1.298 nan 8.250 nan 0.000 0.439 52 G N 0.787 109.616 108.800 0.047 0.000 2.527 52 G HA2 -0.236 3.724 3.960 0.000 0.000 0.227 52 G HA3 -0.236 3.724 3.960 0.000 0.000 0.227 52 G C -0.703 174.213 174.900 0.026 0.000 1.291 52 G CA -0.316 44.815 45.100 0.050 0.000 0.904 52 G HN 0.629 nan 8.290 nan 0.000 0.577 53 E N 0.679 120.851 120.200 -0.047 0.000 2.442 53 E HA 0.255 4.605 4.350 0.000 0.000 0.262 53 E C 0.499 176.717 176.600 -0.637 0.000 1.004 53 E CA 0.475 56.741 56.400 -0.224 0.000 0.928 53 E CB 0.124 29.766 29.700 -0.097 0.000 0.937 53 E HN 0.427 nan 8.360 nan 0.000 0.446 54 Q N 2.525 121.942 119.800 -0.637 0.000 2.235 54 Q HA 0.460 4.800 4.340 0.000 0.000 0.256 54 Q C -1.256 174.297 176.000 -0.745 0.000 0.951 54 Q CA -0.528 54.823 55.803 -0.753 0.000 0.890 54 Q CB 1.300 29.817 28.738 -0.367 0.000 1.279 54 Q HN 0.323 nan 8.270 nan 0.000 0.444 55 F N 0.010 119.855 119.950 -0.175 0.000 2.617 55 F HA 0.364 4.891 4.527 -0.000 0.000 0.325 55 F C -0.615 175.002 175.800 -0.306 0.000 1.179 55 F CA -1.052 56.820 58.000 -0.212 0.000 0.965 55 F CB 0.962 39.839 39.000 -0.205 0.000 1.232 55 F HN 0.159 nan 8.300 nan 0.000 0.461 56 V N 3.775 123.618 119.914 -0.120 0.000 2.439 56 V HA 0.384 4.504 4.120 0.000 0.000 0.282 56 V C -0.592 175.400 176.094 -0.171 0.000 1.039 56 V CA -0.565 61.705 62.300 -0.051 0.000 0.913 56 V CB 1.167 32.993 31.823 0.005 0.000 0.983 56 V HN 0.496 nan 8.190 nan 0.000 0.460 57 F N 3.050 123.029 119.950 0.048 0.000 2.426 57 F HA 0.532 5.060 4.527 0.000 0.000 0.348 57 F C 0.530 176.442 175.800 0.187 0.000 1.124 57 F CA -0.541 57.462 58.000 0.005 0.000 1.008 57 F CB 1.295 40.175 39.000 -0.199 0.000 1.139 57 F HN 0.462 nan 8.300 nan 0.000 0.452 58 E N 1.369 121.835 120.200 0.444 0.000 2.222 58 E HA 0.273 4.623 4.350 0.000 0.000 0.267 58 E C -0.702 176.119 176.600 0.367 0.000 0.963 58 E CA -1.347 55.258 56.400 0.342 0.000 0.837 58 E CB 1.379 31.222 29.700 0.239 0.000 1.183 58 E HN 0.375 nan 8.360 nan 0.000 0.403 59 K N 1.032 121.581 120.400 0.249 0.000 2.473 59 K HA 0.152 4.472 4.320 0.000 0.000 0.277 59 K C -0.178 176.525 176.600 0.173 0.000 1.052 59 K CA 0.807 57.213 56.287 0.199 0.000 1.114 59 K CB -0.250 32.330 32.500 0.133 0.000 0.869 59 K HN 0.677 nan 8.250 nan 0.000 0.481 60 G N 3.142 112.051 108.800 0.182 0.000 2.343 60 G HA2 0.022 3.982 3.960 0.000 0.000 0.289 60 G HA3 0.022 3.982 3.960 0.000 0.000 0.289 60 G C -1.736 173.231 174.900 0.111 0.000 1.295 60 G CA -0.932 44.213 45.100 0.074 0.000 0.869 60 G HN 0.535 nan 8.290 nan 0.000 0.522 61 E N -0.463 119.741 120.200 0.007 0.000 2.171 61 E HA 0.514 4.864 4.350 0.000 0.000 0.271 61 E C -1.567 175.063 176.600 0.050 0.000 0.916 61 E CA -0.586 55.926 56.400 0.187 0.000 0.774 61 E CB 2.166 31.960 29.700 0.157 0.000 1.128 61 E HN 0.393 nan 8.360 nan 0.000 0.403 62 Y N 2.669 123.251 120.300 0.470 0.000 2.915 62 Y HA 0.201 4.751 4.550 -0.000 0.000 0.350 62 Y C -1.627 174.388 175.900 0.191 0.000 1.061 62 Y CA -2.241 56.093 58.100 0.391 0.000 1.179 62 Y CB 0.848 39.673 38.460 0.609 0.000 1.180 62 Y HN 0.484 nan 8.280 nan 0.000 0.605 63 P HA -0.031 nan 4.420 nan 0.000 0.239 63 P C -0.140 177.014 177.300 -0.243 0.000 1.184 63 P CA 0.801 63.676 63.100 -0.376 0.000 0.760 63 P CB 0.616 32.162 31.700 -0.257 0.000 0.884 64 R N -1.969 118.463 120.500 -0.115 0.000 2.712 64 R HA 0.191 4.531 4.340 0.000 0.000 0.272 64 R C 0.945 176.876 176.300 -0.615 0.000 1.032 64 R CA -0.812 55.152 56.100 -0.227 0.000 0.874 64 R CB 0.102 30.236 30.300 -0.277 0.000 1.256 64 R HN -0.071 nan 8.270 nan 0.000 0.468 65 W N 1.679 122.379 121.300 -1.001 0.000 2.350 65 W HA -0.161 4.499 4.660 -0.000 0.000 0.289 65 W C 0.347 176.021 176.519 -1.408 0.000 1.215 65 W CA 2.262 58.483 57.345 -1.873 0.000 1.236 65 W CB -0.337 28.548 29.460 -0.958 0.000 1.130 65 W HN 0.717 nan 8.180 nan 0.000 0.541 66 D N 1.331 120.660 120.400 -1.786 0.000 2.348 66 D HA -0.171 4.469 4.640 0.000 0.000 0.216 66 D C 2.043 177.891 176.300 -0.754 0.000 0.970 66 D CA 1.533 54.631 54.000 -1.502 0.000 0.889 66 D CB -0.707 39.267 40.800 -1.377 0.000 0.912 66 D HN 0.195 nan 8.370 nan 0.000 0.524 67 S N -0.749 114.602 115.700 -0.581 0.000 2.515 67 S HA -0.044 4.426 4.470 0.000 0.000 0.231 67 S C 1.270 175.948 174.600 0.131 0.000 0.987 67 S CA 0.420 58.536 58.200 -0.141 0.000 0.936 67 S CB -0.819 62.415 63.200 0.056 0.000 0.766 67 S HN 0.724 nan 8.310 nan 0.000 0.528 68 W N 1.410 122.673 121.300 -0.061 0.000 2.661 68 W HA 0.427 5.087 4.660 0.001 0.000 0.288 68 W C 0.258 176.646 176.519 -0.220 0.000 1.014 68 W CA 0.168 57.406 57.345 -0.178 0.000 1.396 68 W CB -0.535 28.693 29.460 -0.386 0.000 0.963 68 W HN 0.169 nan 8.180 nan 0.000 0.584 69 T N -1.040 113.423 114.554 -0.152 0.000 2.944 69 T HA 0.524 4.874 4.350 0.000 0.000 0.284 69 T C 1.025 175.766 174.700 0.069 0.000 1.010 69 T CA 0.390 62.532 62.100 0.070 0.000 1.025 69 T CB 1.547 70.495 68.868 0.133 0.000 1.079 69 T HN 0.635 nan 8.240 nan 0.000 0.516 70 S N 1.261 117.044 115.700 0.139 0.000 4.135 70 S HA -0.400 4.070 4.470 0.000 0.000 0.538 70 S C 1.204 175.890 174.600 0.143 0.000 1.522 70 S CA 2.445 60.728 58.200 0.138 0.000 3.869 70 S CB -1.101 62.203 63.200 0.173 0.000 1.628 70 S HN 1.258 nan 8.310 nan 0.000 0.492 71 R N -1.337 119.331 120.500 0.281 0.000 3.720 71 R HA 0.082 4.422 4.340 0.000 0.000 0.030 71 R C -0.396 175.975 176.300 0.120 0.000 0.818 71 R CA 0.633 56.842 56.100 0.183 0.000 2.884 71 R CB -0.565 29.853 30.300 0.197 0.000 0.974 71 R HN 0.722 nan 8.270 nan 0.000 0.518 72 T N 0.892 115.501 114.554 0.092 0.000 2.887 72 T HA 0.266 4.616 4.350 0.000 0.000 0.288 72 T C -0.398 174.130 174.700 -0.286 0.000 1.021 72 T CA -0.367 61.696 62.100 -0.063 0.000 1.000 72 T CB 1.602 70.514 68.868 0.074 0.000 1.034 72 T HN 0.393 nan 8.240 nan 0.000 0.467 73 D N 1.937 121.955 120.400 -0.638 0.000 2.398 73 D HA 0.120 4.760 4.640 0.000 0.000 0.210 73 D C 0.377 176.556 176.300 -0.202 0.000 1.094 73 D CA -0.214 53.257 54.000 -0.882 0.000 0.839 73 D CB 0.191 39.998 40.800 -1.655 0.000 0.963 73 D HN 0.258 nan 8.370 nan 0.000 0.506 74 S N 0.444 116.132 115.700 -0.020 0.000 2.516 74 S HA 0.314 4.784 4.470 0.000 0.000 0.282 74 S C -0.516 174.260 174.600 0.294 0.000 1.286 74 S CA -0.422 57.852 58.200 0.122 0.000 1.066 74 S CB 0.367 63.640 63.200 0.120 0.000 0.884 74 S HN 0.339 nan 8.310 nan 0.000 0.491 75 L N 4.759 126.134 121.223 0.254 0.000 2.471 75 L HA 0.485 4.826 4.340 0.000 0.000 0.263 75 L C 0.198 177.169 176.870 0.169 0.000 0.985 75 L CA 0.382 55.385 54.840 0.272 0.000 0.868 75 L CB 1.262 43.402 42.059 0.134 0.000 1.203 75 L HN 0.596 nan 8.230 nan 0.000 0.429 76 S N 0.523 116.341 115.700 0.196 0.000 2.559 76 S HA 0.302 4.772 4.470 0.000 0.000 0.226 76 S C 0.204 174.873 174.600 0.115 0.000 1.030 76 S CA 0.221 58.494 58.200 0.123 0.000 0.956 76 S CB 0.321 63.583 63.200 0.103 0.000 0.900 76 S HN 0.671 nan 8.310 nan 0.000 0.510 77 S N 0.721 116.533 115.700 0.186 0.000 2.546 77 S HA 0.834 5.305 4.470 0.000 0.000 0.274 77 S C -1.183 173.590 174.600 0.289 0.000 1.121 77 S CA -0.826 57.491 58.200 0.195 0.000 0.887 77 S CB 1.859 65.146 63.200 0.145 0.000 1.094 77 S HN 0.176 nan 8.310 nan 0.000 0.474 78 L N 1.250 122.631 121.223 0.264 0.000 2.424 78 L HA 0.803 5.143 4.340 0.000 0.000 0.258 78 L C -0.840 176.283 176.870 0.421 0.000 0.995 78 L CA -0.787 54.255 54.840 0.338 0.000 0.821 78 L CB 2.510 44.684 42.059 0.191 0.000 1.383 78 L HN 1.034 nan 8.230 nan 0.000 0.410 79 R N 1.215 121.988 120.500 0.455 0.000 2.629 79 R HA 0.658 4.998 4.340 0.000 0.000 0.266 79 R C -3.171 172.949 176.300 -0.300 0.000 1.051 79 R CA -1.687 54.490 56.100 0.129 0.000 0.895 79 R CB 1.681 32.054 30.300 0.121 0.000 1.246 79 R HN 0.091 nan 8.270 nan 0.000 0.459 80 P HA 0.258 nan 4.420 nan 0.000 0.276 80 P C -0.566 176.468 177.300 -0.443 0.000 1.252 80 P CA -0.459 61.967 63.100 -1.123 0.000 0.802 80 P CB 0.656 31.716 31.700 -1.066 0.000 1.035 81 I N 1.795 122.175 120.570 -0.316 0.000 2.359 81 I HA 0.206 4.376 4.170 0.000 0.000 0.294 81 I C 0.652 176.693 176.117 -0.127 0.000 0.987 81 I CA -0.815 60.402 61.300 -0.139 0.000 1.225 81 I CB 0.961 38.924 38.000 -0.061 0.000 1.366 81 I HN -0.010 nan 8.210 nan 0.000 0.466 82 K N 6.637 126.983 120.400 -0.091 0.000 2.250 82 K HA 0.295 4.615 4.320 0.000 0.000 0.285 82 K C -0.564 176.008 176.600 -0.046 0.000 1.097 82 K CA -0.437 55.806 56.287 -0.074 0.000 0.913 82 K CB 0.775 33.238 32.500 -0.061 0.000 1.179 82 K HN 0.290 nan 8.250 nan 0.000 0.462 83 V N 2.410 122.302 119.914 -0.038 0.000 2.572 83 V HA -0.067 4.053 4.120 0.000 0.000 0.291 83 V C 0.503 176.585 176.094 -0.019 0.000 1.039 83 V CA -0.269 62.019 62.300 -0.020 0.000 1.055 83 V CB 0.652 32.469 31.823 -0.010 0.000 0.969 83 V HN 0.590 nan 8.190 nan 0.000 0.482 84 D N 3.658 124.049 120.400 -0.015 0.000 2.411 84 D HA 0.290 4.930 4.640 0.000 0.000 0.225 84 D C -0.261 176.030 176.300 -0.015 0.000 1.156 84 D CA 0.237 54.226 54.000 -0.017 0.000 0.874 84 D CB 0.926 41.716 40.800 -0.015 0.000 1.034 84 D HN 0.479 nan 8.370 nan 0.000 0.502 85 S N 3.533 119.222 115.700 -0.019 0.000 2.496 85 S HA 0.186 4.656 4.470 0.000 0.000 0.221 85 S C -0.762 173.818 174.600 -0.034 0.000 1.260 85 S CA -0.708 57.482 58.200 -0.018 0.000 1.181 85 S CB 0.304 63.500 63.200 -0.007 0.000 1.136 85 S HN 0.417 nan 8.310 nan 0.000 0.467 86 Q N 3.063 122.829 119.800 -0.056 0.000 2.301 86 Q HA 0.175 4.515 4.340 0.000 0.000 0.262 86 Q C 0.021 175.922 176.000 -0.164 0.000 1.168 86 Q CA 0.564 56.302 55.803 -0.108 0.000 0.908 86 Q CB 0.374 29.036 28.738 -0.126 0.000 1.348 86 Q HN 0.618 nan 8.270 nan 0.000 0.441 87 E N 1.279 121.386 120.200 -0.155 0.000 2.243 87 E HA 0.356 4.706 4.350 0.000 0.000 0.260 87 E C -0.935 175.478 176.600 -0.312 0.000 0.985 87 E CA -0.922 55.388 56.400 -0.150 0.000 0.858 87 E CB 0.983 30.681 29.700 -0.004 0.000 1.210 87 E HN 0.473 nan 8.360 nan 0.000 0.411 88 H N 0.497 119.648 119.070 0.135 0.000 2.541 88 H HA 0.342 4.898 4.556 0.000 0.000 0.316 88 H C -0.585 174.991 175.328 0.414 0.000 1.043 88 H CA -0.581 55.615 56.048 0.246 0.000 1.232 88 H CB 0.987 30.843 29.762 0.157 0.000 1.406 88 H HN 0.226 nan 8.280 nan 0.000 0.469 89 K N 3.622 124.270 120.400 0.412 0.000 2.464 89 K HA 0.596 4.916 4.320 0.000 0.000 0.253 89 K C -1.666 174.936 176.600 0.004 0.000 0.933 89 K CA -0.876 55.525 56.287 0.190 0.000 0.801 89 K CB 2.118 34.664 32.500 0.076 0.000 1.271 89 K HN 0.625 nan 8.250 nan 0.000 0.430 90 I N 2.267 122.635 120.570 -0.336 0.000 2.582 90 I HA 0.414 4.584 4.170 0.000 0.000 0.292 90 I C -1.520 174.374 176.117 -0.372 0.000 1.066 90 I CA -0.290 60.713 61.300 -0.495 0.000 1.053 90 I CB 2.483 39.843 38.000 -1.067 0.000 1.241 90 I HN 0.672 nan 8.210 nan 0.000 0.421 91 T N 7.793 122.192 114.554 -0.259 0.000 2.812 91 T HA 0.592 4.942 4.350 0.000 0.000 0.282 91 T C -0.654 173.858 174.700 -0.313 0.000 0.990 91 T CA -0.383 61.527 62.100 -0.317 0.000 0.960 91 T CB 1.246 69.957 68.868 -0.263 0.000 0.948 91 T HN 0.287 nan 8.240 nan 0.000 0.438 92 L N 3.400 124.389 121.223 -0.389 0.000 2.317 92 L HA 0.613 4.954 4.340 0.000 0.000 0.281 92 L C -0.913 175.787 176.870 -0.285 0.000 1.024 92 L CA -0.753 53.971 54.840 -0.193 0.000 0.810 92 L CB 0.826 42.816 42.059 -0.114 0.000 1.240 92 L HN 0.599 nan 8.230 nan 0.000 0.427 93 Y N 0.053 120.407 120.300 0.089 0.000 2.485 93 Y HA 0.235 4.785 4.550 0.000 0.000 0.345 93 Y C 1.115 177.068 175.900 0.087 0.000 0.998 93 Y CA -0.629 57.527 58.100 0.093 0.000 1.059 93 Y CB 1.953 40.502 38.460 0.149 0.000 1.234 93 Y HN 0.709 nan 8.280 nan 0.000 0.461 94 E N 1.316 121.652 120.200 0.226 0.000 2.051 94 E HA -0.157 4.193 4.350 0.000 0.000 0.192 94 E C -0.259 176.423 176.600 0.136 0.000 0.991 94 E CA 1.096 57.586 56.400 0.150 0.000 0.799 94 E CB 0.171 29.935 29.700 0.108 0.000 0.748 94 E HN 0.599 nan 8.360 nan 0.000 0.449 95 N N 0.427 119.204 118.700 0.128 0.000 2.459 95 N HA 0.322 5.062 4.740 0.000 0.000 0.288 95 N C -2.606 172.907 175.510 0.006 0.000 1.186 95 N CA -1.858 51.224 53.050 0.055 0.000 0.917 95 N CB 1.135 39.638 38.487 0.027 0.000 1.219 95 N HN -0.065 nan 8.380 nan 0.000 0.525 96 P HA 0.120 nan 4.420 nan 0.000 0.271 96 P C 0.048 177.184 177.300 -0.274 0.000 1.233 96 P CA 0.151 63.161 63.100 -0.151 0.000 0.789 96 P CB 0.293 31.916 31.700 -0.129 0.000 0.951 97 N N 0.537 118.929 118.700 -0.515 0.000 2.747 97 N HA -0.219 4.521 4.740 0.000 0.000 0.249 97 N C -0.756 174.310 175.510 -0.740 0.000 1.107 97 N CA 0.697 53.313 53.050 -0.724 0.000 0.707 97 N CB -1.943 36.340 38.487 -0.339 0.000 1.054 97 N HN 0.386 nan 8.380 nan 0.000 0.555 98 F N -3.674 116.048 119.950 -0.380 0.000 3.074 98 F HA -0.281 4.246 4.527 -0.001 0.000 0.289 98 F C 0.938 176.287 175.800 -0.751 0.000 0.863 98 F CA 1.012 58.403 58.000 -1.014 0.000 1.121 98 F CB -2.876 35.571 39.000 -0.921 0.000 1.169 98 F HN 0.321 nan 8.300 nan 0.000 0.570 99 T N -2.416 112.017 114.554 -0.201 0.000 2.910 99 T HA 0.900 5.250 4.350 0.000 0.000 0.287 99 T C 0.692 175.486 174.700 0.156 0.000 1.050 99 T CA -0.195 61.909 62.100 0.007 0.000 1.011 99 T CB 2.175 71.031 68.868 -0.020 0.000 1.195 99 T HN 1.775 nan 8.240 nan 0.000 0.540 100 G N 0.780 109.665 108.800 0.141 0.000 2.542 100 G HA2 -0.143 3.817 3.960 0.000 0.000 0.235 100 G HA3 -0.143 3.817 3.960 0.000 0.000 0.235 100 G C -0.542 174.450 174.900 0.153 0.000 1.286 100 G CA -0.385 44.790 45.100 0.125 0.000 0.904 100 G HN 0.914 nan 8.290 nan 0.000 0.577 101 K N 1.024 121.485 120.400 0.101 0.000 2.355 101 K HA 0.388 4.708 4.320 0.000 0.000 0.270 101 K C 0.613 177.235 176.600 0.037 0.000 1.003 101 K CA 0.864 57.185 56.287 0.056 0.000 0.957 101 K CB 0.604 33.118 32.500 0.024 0.000 0.939 101 K HN 0.787 nan 8.250 nan 0.000 0.482 102 K N 1.441 121.801 120.400 -0.066 0.000 2.444 102 K HA 0.560 4.880 4.320 0.000 0.000 0.252 102 K C -1.052 175.385 176.600 -0.272 0.000 0.993 102 K CA -0.930 55.191 56.287 -0.278 0.000 0.847 102 K CB 1.893 34.121 32.500 -0.453 0.000 1.340 102 K HN 0.439 nan 8.250 nan 0.000 0.446 103 M N 1.968 121.337 119.600 -0.384 0.000 2.224 103 M HA 0.265 4.745 4.480 0.000 0.000 0.281 103 M C -1.734 174.350 176.300 -0.360 0.000 1.025 103 M CA -0.325 54.772 55.300 -0.338 0.000 0.954 103 M CB 2.246 34.584 32.600 -0.436 0.000 1.639 103 M HN 0.784 nan 8.290 nan 0.000 0.461 104 E N 2.928 122.972 120.200 -0.260 0.000 2.204 104 E HA 0.658 5.008 4.350 0.000 0.000 0.276 104 E C -1.114 175.363 176.600 -0.205 0.000 0.974 104 E CA -0.735 55.526 56.400 -0.232 0.000 0.815 104 E CB 2.827 32.440 29.700 -0.144 0.000 1.119 104 E HN 0.436 nan 8.360 nan 0.000 0.393 105 V N 1.455 121.226 119.914 -0.239 0.000 3.145 105 V HA 0.035 4.155 4.120 0.000 0.000 0.311 105 V C 0.904 176.962 176.094 -0.059 0.000 1.238 105 V CA -0.717 61.475 62.300 -0.180 0.000 1.066 105 V CB 1.651 33.273 31.823 -0.335 0.000 1.144 105 V HN 0.675 nan 8.190 nan 0.000 0.465 106 D N 0.539 121.223 120.400 0.473 0.000 2.585 106 D HA -0.185 4.455 4.640 0.000 0.000 0.190 106 D C 0.522 176.962 176.300 0.233 0.000 1.057 106 D CA 1.885 56.089 54.000 0.340 0.000 0.900 106 D CB -0.034 40.902 40.800 0.227 0.000 0.900 106 D HN 0.614 nan 8.370 nan 0.000 0.463 107 D N 0.743 121.306 120.400 0.272 0.000 2.387 107 D HA 0.155 4.795 4.640 0.000 0.000 0.251 107 D C 0.034 176.516 176.300 0.303 0.000 1.141 107 D CA -0.255 53.873 54.000 0.213 0.000 0.987 107 D CB 0.575 41.478 40.800 0.172 0.000 1.116 107 D HN -0.098 nan 8.370 nan 0.000 0.491 108 D N -0.463 120.069 120.400 0.220 0.000 2.313 108 D HA 0.328 4.968 4.640 0.000 0.000 0.247 108 D C -0.486 175.990 176.300 0.293 0.000 1.094 108 D CA -0.157 54.013 54.000 0.284 0.000 0.925 108 D CB 1.330 42.263 40.800 0.221 0.000 1.188 108 D HN -0.139 nan 8.370 nan 0.000 0.430 109 V N 3.811 123.929 119.914 0.339 0.000 2.419 109 V HA 0.187 4.307 4.120 0.000 0.000 0.287 109 V C -1.763 174.444 176.094 0.189 0.000 1.017 109 V CA -1.140 61.278 62.300 0.197 0.000 0.844 109 V CB 2.105 33.966 31.823 0.062 0.000 1.011 109 V HN 0.441 nan 8.190 nan 0.000 0.429 110 P HA 0.038 nan 4.420 nan 0.000 0.236 110 P C 0.381 177.545 177.300 -0.228 0.000 1.177 110 P CA 0.721 63.624 63.100 -0.327 0.000 0.773 110 P CB 0.627 32.151 31.700 -0.293 0.000 0.878 111 S N -1.273 114.424 115.700 -0.004 0.000 2.689 111 S HA 0.372 4.842 4.470 0.000 0.000 0.274 111 S C 0.074 174.845 174.600 0.284 0.000 1.176 111 S CA -0.535 57.703 58.200 0.064 0.000 1.014 111 S CB 0.069 63.298 63.200 0.048 0.000 1.071 111 S HN -0.305 nan 8.310 nan 0.000 0.478 112 F N 3.112 123.082 119.950 0.033 0.000 2.206 112 F HA 0.097 4.624 4.527 0.000 0.000 0.298 112 F C 2.317 178.266 175.800 0.247 0.000 1.090 112 F CA 1.300 59.351 58.000 0.084 0.000 1.323 112 F CB -0.921 38.146 39.000 0.112 0.000 1.028 112 F HN 0.784 nan 8.300 nan 0.000 0.492 113 H N -0.718 118.504 119.070 0.253 0.000 2.421 113 H HA 0.058 4.614 4.556 0.000 0.000 0.298 113 H C 1.414 176.835 175.328 0.154 0.000 1.087 113 H CA 0.232 56.379 56.048 0.165 0.000 1.330 113 H CB 0.004 29.833 29.762 0.112 0.000 1.388 113 H HN 0.163 nan 8.280 nan 0.000 0.526 117 G N 1.733 110.601 108.800 0.113 0.000 2.830 117 G HA2 0.029 3.989 3.960 0.000 0.000 0.298 117 G HA3 0.029 3.989 3.960 0.000 0.000 0.298 117 G C -0.105 174.799 174.900 0.006 0.000 1.031 117 G CA 0.085 45.205 45.100 0.032 0.000 1.179 117 G HN 0.371 nan 8.290 nan 0.000 0.527 118 Q N -1.304 118.440 119.800 -0.093 0.000 1.338 118 Q HA -0.024 4.316 4.340 0.000 0.000 0.125 118 Q C 0.264 176.247 176.000 -0.028 0.000 0.705 118 Q CA -0.060 55.591 55.803 -0.253 0.000 0.630 118 Q CB -0.585 27.711 28.738 -0.737 0.000 1.106 118 Q HN 0.648 nan 8.270 nan 0.000 0.350 119 E N 2.052 122.279 120.200 0.046 0.000 2.322 119 E HA 0.344 4.694 4.350 0.000 0.000 0.257 119 E C 0.127 176.806 176.600 0.132 0.000 1.155 119 E CA -0.577 55.866 56.400 0.073 0.000 0.936 119 E CB 0.869 30.604 29.700 0.059 0.000 1.130 119 E HN 0.266 nan 8.360 nan 0.000 0.465 120 K N -0.717 119.753 120.400 0.116 0.000 2.140 120 K HA 0.469 4.789 4.320 0.000 0.000 0.237 120 K C -0.378 176.316 176.600 0.158 0.000 1.045 120 K CA -0.761 55.608 56.287 0.135 0.000 0.896 120 K CB 0.413 32.974 32.500 0.101 0.000 1.122 120 K HN 0.154 nan 8.250 nan 0.000 0.503 121 V N 1.519 121.541 119.914 0.180 0.000 2.409 121 V HA 0.099 4.219 4.120 0.000 0.000 0.290 121 V C -0.125 176.113 176.094 0.240 0.000 1.017 121 V CA -0.475 61.958 62.300 0.222 0.000 0.841 121 V CB 1.351 33.326 31.823 0.253 0.000 1.003 121 V HN 0.961 nan 8.190 nan 0.000 0.426 122 S N 2.139 117.966 115.700 0.212 0.000 2.514 122 S HA 0.167 4.637 4.470 0.000 0.000 0.223 122 S C 0.663 175.389 174.600 0.209 0.000 1.046 122 S CA 0.326 58.614 58.200 0.147 0.000 0.914 122 S CB 0.514 63.755 63.200 0.068 0.000 0.807 122 S HN 0.853 nan 8.310 nan 0.000 0.497 123 S N 0.351 116.229 115.700 0.298 0.000 2.564 123 S HA 0.817 5.287 4.470 0.000 0.000 0.274 123 S C -1.096 173.826 174.600 0.537 0.000 1.124 123 S CA -0.721 57.687 58.200 0.346 0.000 0.869 123 S CB 2.109 65.282 63.200 -0.044 0.000 1.105 123 S HN -0.038 nan 8.310 nan 0.000 0.472 124 V N 1.214 121.497 119.914 0.616 0.000 2.841 124 V HA 0.604 4.725 4.120 0.000 0.000 0.310 124 V C -0.548 175.875 176.094 0.548 0.000 1.090 124 V CA -0.724 61.844 62.300 0.445 0.000 0.930 124 V CB 2.120 33.950 31.823 0.013 0.000 1.014 124 V HN 0.961 nan 8.190 nan 0.000 0.425 125 R N 2.572 123.246 120.500 0.289 0.000 2.275 125 R HA 0.674 5.014 4.340 0.000 0.000 0.326 125 R C -1.470 174.861 176.300 0.051 0.000 0.973 125 R CA -0.316 55.817 56.100 0.054 0.000 0.854 125 R CB 1.543 31.728 30.300 -0.192 0.000 1.156 125 R HN 0.579 nan 8.270 nan 0.000 0.487 126 V N 4.885 124.874 119.914 0.126 0.000 2.350 126 V HA 0.086 4.206 4.120 0.000 0.000 0.276 126 V C 1.124 177.272 176.094 0.089 0.000 1.028 126 V CA -0.268 62.092 62.300 0.099 0.000 0.860 126 V CB 1.422 33.374 31.823 0.216 0.000 0.990 126 V HN 0.819 nan 8.190 nan 0.000 0.453 127 Q N 3.582 123.421 119.800 0.066 0.000 2.302 127 Q HA 0.072 4.412 4.340 0.000 0.000 0.202 127 Q C 0.515 176.573 176.000 0.097 0.000 0.936 127 Q CA 1.009 56.844 55.803 0.054 0.000 0.886 127 Q CB 0.628 29.378 28.738 0.020 0.000 0.986 127 Q HN 0.919 nan 8.270 nan 0.000 0.487 128 S N -2.237 113.577 115.700 0.189 0.000 2.578 128 S HA 0.639 5.109 4.470 0.000 0.000 0.272 128 S C -0.339 174.517 174.600 0.427 0.000 1.145 128 S CA -0.511 57.818 58.200 0.216 0.000 0.835 128 S CB 1.269 64.521 63.200 0.087 0.000 1.104 128 S HN 0.635 nan 8.310 nan 0.000 0.458 129 G N 0.488 109.495 108.800 0.346 0.000 2.707 129 G HA2 0.215 4.175 3.960 0.000 0.000 0.686 129 G HA3 0.215 4.175 3.960 0.000 0.000 0.686 129 G C -0.658 174.278 174.900 0.059 0.000 1.315 129 G CA -0.431 44.768 45.100 0.166 0.000 0.832 129 G HN 1.513 nan 8.290 nan 0.000 0.573 130 T N 1.036 115.448 114.554 -0.236 0.000 2.809 130 T HA 0.615 4.965 4.350 0.000 0.000 0.296 130 T C -0.642 173.876 174.700 -0.303 0.000 1.015 130 T CA -0.002 62.019 62.100 -0.132 0.000 0.954 130 T CB 0.718 69.519 68.868 -0.113 0.000 0.950 130 T HN 0.573 nan 8.240 nan 0.000 0.450 131 W N 1.416 122.711 121.300 -0.008 0.000 2.902 131 W HA 0.702 5.363 4.660 0.000 0.000 0.346 131 W C -1.028 175.454 176.519 -0.062 0.000 1.139 131 W CA -0.989 56.340 57.345 -0.026 0.000 1.139 131 W CB 1.385 30.838 29.460 -0.010 0.000 1.439 131 W HN 0.267 nan 8.180 nan 0.000 0.558 132 V N 2.083 122.101 119.914 0.174 0.000 2.443 132 V HA 0.731 4.851 4.120 0.000 0.000 0.293 132 V C 0.171 176.203 176.094 -0.104 0.000 1.021 132 V CA -0.864 61.399 62.300 -0.062 0.000 0.848 132 V CB 0.853 32.568 31.823 -0.180 0.000 0.998 132 V HN 0.702 nan 8.190 nan 0.000 0.424 133 G N 3.077 111.760 108.800 -0.195 0.000 2.389 133 G HA2 0.663 4.623 3.960 0.000 0.000 0.317 133 G HA3 0.663 4.623 3.960 0.000 0.000 0.317 133 G C -1.527 173.148 174.900 -0.376 0.000 1.137 133 G CA -0.283 44.758 45.100 -0.098 0.000 0.870 133 G HN 0.484 nan 8.290 nan 0.000 0.496 134 Y N -0.574 119.678 120.300 -0.080 0.000 2.545 134 Y HA 0.310 4.860 4.550 0.000 0.000 0.348 134 Y C 1.480 177.239 175.900 -0.235 0.000 1.002 134 Y CA -0.803 57.177 58.100 -0.200 0.000 1.039 134 Y CB 2.355 40.756 38.460 -0.098 0.000 1.271 134 Y HN 0.550 nan 8.280 nan 0.000 0.467 135 Q N 0.487 120.160 119.800 -0.210 0.000 2.119 135 Q HA -0.086 4.254 4.340 0.000 0.000 0.201 135 Q C -0.668 174.993 176.000 -0.564 0.000 0.972 135 Q CA 1.423 56.956 55.803 -0.451 0.000 0.847 135 Q CB 0.180 28.315 28.738 -1.005 0.000 0.903 135 Q HN 0.540 nan 8.270 nan 0.000 0.433 136 Y N -1.209 119.075 120.300 -0.028 0.000 2.659 136 Y HA 0.370 4.920 4.550 0.000 0.000 0.333 136 Y C -2.124 173.663 175.900 -0.187 0.000 1.064 136 Y CA -3.407 54.629 58.100 -0.107 0.000 1.141 136 Y CB 0.002 38.410 38.460 -0.086 0.000 1.316 136 Y HN -0.113 nan 8.280 nan 0.000 0.509 137 P HA 0.183 nan 4.420 nan 0.000 0.270 137 P C 0.302 177.436 177.300 -0.277 0.000 1.223 137 P CA 0.985 63.969 63.100 -0.194 0.000 0.785 137 P CB 0.476 32.078 31.700 -0.164 0.000 0.923 138 G N 0.761 109.265 108.800 -0.494 0.000 2.160 138 G HA2 -0.309 3.651 3.960 0.000 0.000 0.251 138 G HA3 -0.309 3.651 3.960 0.000 0.000 0.251 138 G C -0.232 174.294 174.900 -0.623 0.000 1.008 138 G CA 0.124 44.882 45.100 -0.570 0.000 0.724 138 G HN 0.463 nan 8.290 nan 0.000 0.514 139 Y N -2.491 117.563 120.300 -0.410 0.000 3.234 139 Y HA -0.228 4.322 4.550 -0.000 0.000 0.207 139 Y C 1.046 176.488 175.900 -0.763 0.000 1.316 139 Y CA 0.959 58.432 58.100 -1.046 0.000 1.309 139 Y CB -2.079 35.675 38.460 -1.177 0.000 1.408 139 Y HN 0.728 nan 8.280 nan 0.000 0.544 140 R N -0.095 120.291 120.500 -0.191 0.000 2.832 140 R HA 0.740 5.080 4.340 0.000 0.000 0.271 140 R C 0.983 177.384 176.300 0.168 0.000 0.996 140 R CA -0.449 55.678 56.100 0.047 0.000 0.977 140 R CB 2.060 32.428 30.300 0.112 0.000 1.168 140 R HN 0.503 nan 8.270 nan 0.000 0.482 141 G N 0.953 109.870 108.800 0.194 0.000 2.568 141 G HA2 -0.242 3.718 3.960 0.000 0.000 0.222 141 G HA3 -0.242 3.718 3.960 0.000 0.000 0.222 141 G C -0.516 174.363 174.900 -0.034 0.000 1.321 141 G CA -0.849 44.305 45.100 0.090 0.000 0.893 141 G HN 0.435 nan 8.290 nan 0.000 0.569 142 L N 1.178 122.298 121.223 -0.171 0.000 2.506 142 L HA 0.279 4.619 4.340 0.000 0.000 0.281 142 L C 1.079 177.546 176.870 -0.671 0.000 1.228 142 L CA 0.425 55.075 54.840 -0.317 0.000 0.850 142 L CB 0.337 42.231 42.059 -0.274 0.000 1.110 142 L HN 0.657 nan 8.230 nan 0.000 0.496 143 Q N 2.616 122.003 119.800 -0.689 0.000 2.309 143 Q HA 0.536 4.876 4.340 0.000 0.000 0.264 143 Q C -1.745 173.753 176.000 -0.837 0.000 1.008 143 Q CA -0.782 54.505 55.803 -0.860 0.000 0.853 143 Q CB 1.988 30.420 28.738 -0.510 0.000 1.314 143 Q HN 0.300 nan 8.270 nan 0.000 0.448 144 Y N 0.903 121.046 120.300 -0.261 0.000 2.338 144 Y HA 0.331 4.881 4.550 0.000 0.000 0.333 144 Y C -0.711 175.097 175.900 -0.154 0.000 0.968 144 Y CA -1.235 56.795 58.100 -0.117 0.000 1.123 144 Y CB 1.318 39.743 38.460 -0.059 0.000 1.165 144 Y HN 0.563 nan 8.280 nan 0.000 0.452 145 L N 5.083 126.340 121.223 0.055 0.000 2.360 145 L HA 0.458 4.798 4.340 0.000 0.000 0.276 145 L C -1.127 175.770 176.870 0.046 0.000 1.121 145 L CA 0.016 54.877 54.840 0.035 0.000 0.845 145 L CB 0.111 42.204 42.059 0.057 0.000 1.143 145 L HN 0.580 nan 8.230 nan 0.000 0.452 146 L N 6.172 127.424 121.223 0.049 0.000 2.324 146 L HA 0.495 4.835 4.340 0.000 0.000 0.274 146 L C -0.016 176.994 176.870 0.233 0.000 1.012 146 L CA -0.251 54.610 54.840 0.034 0.000 0.859 146 L CB 0.962 42.967 42.059 -0.090 0.000 1.224 146 L HN 0.659 nan 8.230 nan 0.000 0.429 147 E N 2.569 122.950 120.200 0.301 0.000 2.243 147 E HA 0.366 4.716 4.350 0.000 0.000 0.260 147 E C -0.669 176.102 176.600 0.286 0.000 0.985 147 E CA -1.175 55.388 56.400 0.271 0.000 0.858 147 E CB 1.504 31.330 29.700 0.209 0.000 1.210 147 E HN 0.349 nan 8.360 nan 0.000 0.411 148 K N 0.888 121.413 120.400 0.209 0.000 2.511 148 K HA 0.199 4.519 4.320 0.000 0.000 0.277 148 K C 0.225 176.892 176.600 0.112 0.000 1.025 148 K CA 0.384 56.767 56.287 0.159 0.000 1.112 148 K CB -0.235 32.330 32.500 0.109 0.000 0.859 148 K HN 0.738 nan 8.250 nan 0.000 0.485 149 G N 2.023 110.869 108.800 0.078 0.000 2.352 149 G HA2 0.020 3.980 3.960 0.000 0.000 0.302 149 G HA3 0.020 3.980 3.960 0.000 0.000 0.302 149 G C -2.018 172.829 174.900 -0.089 0.000 1.370 149 G CA -0.955 44.113 45.100 -0.053 0.000 0.918 149 G HN 0.489 nan 8.290 nan 0.000 0.610 150 D N -0.054 120.236 120.400 -0.183 0.000 2.217 150 D HA 0.551 5.191 4.640 0.000 0.000 0.243 150 D C -1.119 175.136 176.300 -0.075 0.000 1.054 150 D CA 0.156 54.164 54.000 0.013 0.000 0.838 150 D CB 1.588 42.467 40.800 0.131 0.000 1.162 150 D HN 0.295 nan 8.370 nan 0.000 0.472 151 Y N 1.279 121.846 120.300 0.445 0.000 2.447 151 Y HA 0.207 4.757 4.550 0.000 0.000 0.325 151 Y C 1.461 177.480 175.900 0.199 0.000 0.976 151 Y CA -0.585 57.707 58.100 0.321 0.000 1.280 151 Y CB 1.556 40.273 38.460 0.429 0.000 1.104 151 Y HN 0.126 nan 8.280 nan 0.000 0.486 152 K N 0.716 121.148 120.400 0.052 0.000 2.283 152 K HA -0.084 4.236 4.320 0.000 0.000 0.202 152 K C -0.133 176.325 176.600 -0.238 0.000 1.048 152 K CA 1.147 57.214 56.287 -0.366 0.000 0.948 152 K CB 0.247 32.570 32.500 -0.295 0.000 0.742 152 K HN 0.540 nan 8.250 nan 0.000 0.458 153 D N -2.268 118.096 120.400 -0.060 0.000 2.661 153 D HA 0.053 4.693 4.640 0.000 0.000 0.228 153 D C 0.602 176.806 176.300 -0.160 0.000 1.210 153 D CA -0.338 53.607 54.000 -0.092 0.000 0.826 153 D CB 1.629 42.362 40.800 -0.113 0.000 1.542 153 D HN -0.111 nan 8.370 nan 0.000 0.447 154 S N 0.849 116.331 115.700 -0.363 0.000 2.400 154 S HA -0.088 4.382 4.470 0.000 0.000 0.232 154 S C 2.021 175.983 174.600 -1.064 0.000 1.025 154 S CA 1.376 58.950 58.200 -1.042 0.000 0.993 154 S CB -0.638 62.180 63.200 -0.637 0.000 0.808 154 S HN 0.549 nan 8.310 nan 0.000 0.478 155 G N 1.558 110.057 108.800 -0.503 0.000 2.432 155 G HA2 -0.146 3.814 3.960 0.000 0.000 0.219 155 G HA3 -0.146 3.814 3.960 0.000 0.000 0.219 155 G C 1.083 175.845 174.900 -0.230 0.000 1.135 155 G CA 0.902 45.811 45.100 -0.319 0.000 0.767 155 G HN 0.532 nan 8.290 nan 0.000 0.550 156 D N 0.420 120.730 120.400 -0.151 0.000 2.263 156 D HA -0.072 4.568 4.640 0.000 0.000 0.208 156 D C 1.841 178.269 176.300 0.213 0.000 0.971 156 D CA 0.653 54.702 54.000 0.080 0.000 0.867 156 D CB -0.256 40.697 40.800 0.256 0.000 0.929 156 D HN 0.604 nan 8.370 nan 0.000 0.492 157 F N -2.316 117.641 119.950 0.012 0.000 2.695 157 F HA 0.502 5.029 4.527 -0.000 0.000 0.303 157 F C 1.430 177.120 175.800 -0.182 0.000 1.091 157 F CA -0.044 57.851 58.000 -0.174 0.000 1.300 157 F CB 0.022 38.707 39.000 -0.525 0.000 1.071 157 F HN -0.068 nan 8.300 nan 0.000 0.578 158 G N 0.601 109.264 108.800 -0.228 0.000 2.141 158 G HA2 -0.063 3.897 3.960 0.000 0.000 0.242 158 G HA3 -0.063 3.897 3.960 0.000 0.000 0.242 158 G C 0.269 174.988 174.900 -0.303 0.000 0.982 158 G CA -0.175 44.841 45.100 -0.139 0.000 0.662 158 G HN 0.949 nan 8.290 nan 0.000 0.527 159 A N 0.554 122.909 122.820 -0.775 0.000 2.363 159 A HA 0.760 5.080 4.320 0.000 0.000 0.270 159 A C -0.130 177.271 177.584 -0.304 0.000 1.121 159 A CA -0.672 50.977 52.037 -0.645 0.000 0.800 159 A CB 0.863 19.327 19.000 -0.893 0.000 1.052 159 A HN 0.115 nan 8.150 nan 0.000 0.493 160 P HA 0.009 nan 4.420 nan 0.000 0.231 160 P C -0.262 176.999 177.300 -0.066 0.000 1.168 160 P CA 0.942 64.004 63.100 -0.063 0.000 0.779 160 P CB 0.321 32.026 31.700 0.008 0.000 0.844 161 Q N 0.082 119.840 119.800 -0.069 0.000 2.377 161 Q HA 0.353 4.693 4.340 0.000 0.000 0.279 161 Q C -2.784 173.184 176.000 -0.054 0.000 1.049 161 Q CA -2.084 53.694 55.803 -0.042 0.000 0.825 161 Q CB 2.018 30.762 28.738 0.010 0.000 1.401 161 Q HN -0.123 nan 8.270 nan 0.000 0.404 162 P HA -0.057 nan 4.420 nan 0.000 0.231 162 P C -1.183 176.170 177.300 0.089 0.000 1.756 162 P CA 0.298 63.412 63.100 0.022 0.000 0.990 162 P CB 0.110 31.825 31.700 0.024 0.000 1.973 163 Q N 1.405 121.261 119.800 0.094 0.000 2.290 163 Q HA 0.466 4.806 4.340 0.000 0.000 0.269 163 Q C -1.742 174.329 176.000 0.118 0.000 1.016 163 Q CA -0.683 55.182 55.803 0.104 0.000 0.754 163 Q CB 1.993 30.772 28.738 0.068 0.000 1.247 163 Q HN 0.003 nan 8.270 nan 0.000 0.451 164 V N 4.106 124.072 119.914 0.086 0.000 2.569 164 V HA 0.271 4.391 4.120 0.000 0.000 0.301 164 V C -0.158 175.738 176.094 -0.330 0.000 1.044 164 V CA -0.464 61.808 62.300 -0.046 0.000 0.874 164 V CB 1.753 33.593 31.823 0.029 0.000 1.002 164 V HN 0.889 nan 8.190 nan 0.000 0.424 165 Q N 1.924 121.404 119.800 -0.533 0.000 2.164 165 Q HA 0.323 4.663 4.340 0.000 0.000 0.226 165 Q C 0.196 175.608 176.000 -0.980 0.000 0.813 165 Q CA 0.082 55.464 55.803 -0.702 0.000 0.978 165 Q CB 1.598 30.183 28.738 -0.255 0.000 1.149 165 Q HN 0.875 nan 8.270 nan 0.000 0.489 166 S N -1.123 114.055 115.700 -0.870 0.000 2.547 166 S HA 0.693 5.163 4.470 0.000 0.000 0.270 166 S C -1.262 173.362 174.600 0.040 0.000 1.150 166 S CA -0.803 57.178 58.200 -0.366 0.000 0.850 166 S CB 2.359 65.397 63.200 -0.271 0.000 1.118 166 S HN -0.040 nan 8.310 nan 0.000 0.461 167 V N 1.705 121.859 119.914 0.400 0.000 2.932 167 V HA 0.870 4.990 4.120 0.000 0.000 0.307 167 V C -1.409 175.022 176.094 0.562 0.000 1.147 167 V CA -0.723 61.870 62.300 0.487 0.000 0.951 167 V CB 2.118 34.185 31.823 0.406 0.000 1.031 167 V HN 1.244 nan 8.190 nan 0.000 0.426 168 R N 4.457 125.216 120.500 0.431 0.000 2.795 168 R HA 0.746 5.086 4.340 0.000 0.000 0.275 168 R C -0.988 175.399 176.300 0.145 0.000 0.981 168 R CA -1.010 55.206 56.100 0.194 0.000 0.917 168 R CB 2.195 32.325 30.300 -0.283 0.000 1.202 168 R HN 0.687 nan 8.270 nan 0.000 0.469 169 R N 1.943 122.362 120.500 -0.134 0.000 2.428 169 R HA 0.341 4.681 4.340 0.000 0.000 0.294 169 R C -0.522 175.535 176.300 -0.406 0.000 1.000 169 R CA -0.755 54.984 56.100 -0.601 0.000 0.960 169 R CB 0.985 30.637 30.300 -1.081 0.000 1.076 169 R HN 0.530 nan 8.270 nan 0.000 0.475 170 I N 5.208 125.544 120.570 -0.389 0.000 2.322 170 I HA 0.179 4.349 4.170 0.000 0.000 0.292 170 I C 1.054 176.985 176.117 -0.310 0.000 1.060 170 I CA 0.036 61.181 61.300 -0.259 0.000 1.309 170 I CB 1.040 38.938 38.000 -0.169 0.000 1.415 170 I HN 0.762 nan 8.210 nan 0.000 0.492 171 R N 2.951 123.297 120.500 -0.257 0.000 2.282 171 R HA 0.158 4.498 4.340 0.000 0.000 0.195 171 R C -0.391 175.794 176.300 -0.190 0.000 0.909 171 R CA 0.245 56.187 56.100 -0.263 0.000 1.039 171 R CB 0.452 30.612 30.300 -0.233 0.000 1.015 171 R HN 0.610 nan 8.270 nan 0.000 0.513 172 D N 0.274 120.585 120.400 -0.148 0.000 2.433 172 D HA 0.283 4.923 4.640 0.000 0.000 0.236 172 D C -0.942 175.287 176.300 -0.117 0.000 1.026 172 D CA -0.528 53.398 54.000 -0.122 0.000 0.884 172 D CB 2.366 43.115 40.800 -0.085 0.000 1.384 172 D HN -0.132 nan 8.370 nan 0.000 0.477 173 M N 0.554 120.066 119.600 -0.146 0.000 2.393 173 M HA 0.152 4.632 4.480 0.000 0.000 0.299 173 M C -1.068 175.159 176.300 -0.123 0.000 1.103 173 M CA -0.419 54.761 55.300 -0.201 0.000 0.910 173 M CB 2.251 34.575 32.600 -0.460 0.000 1.659 173 M HN 0.046 nan 8.290 nan 0.000 0.445 174 Q N 4.567 124.389 119.800 0.036 0.000 2.201 174 Q HA 0.274 4.614 4.340 0.000 0.000 0.236 174 Q C -1.413 174.711 176.000 0.206 0.000 0.857 174 Q CA 0.020 55.879 55.803 0.093 0.000 1.025 174 Q CB 0.484 29.292 28.738 0.117 0.000 1.124 174 Q HN 0.623 nan 8.270 nan 0.000 0.473 175 W N 0.000 121.293 121.300 -0.012 0.000 2.388 175 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 175 W CA 0.000 57.340 57.345 -0.009 0.000 1.226 175 W CB 0.000 29.456 29.460 -0.007 0.000 1.126 175 W HN 0.000 nan 8.180 nan 0.000 0.535