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 3ed1_1_E DATA FIRST_RESID 15 DATA SEQUENCE VVPLHTWVLI SNFKLSYNIL RRADGTFERD LGEYLDRRVP ANARPLEGVS DATA SEQUENCE SFDHIIDQSV GLEVRIYRAX XXXXXXXXXX XXXXXXXXXX XDAPAAEPFP DATA SEQUENCE VIIFFHGGSF VHSSASSTIY DSLCRRFVKL SKGVVVSVNY RRAPEHRYPC DATA SEQUENCE AYDDGWTALK WVMSQPFMRS XXXAQARVFL SGDSSGGNIA HHVAVRAADE DATA SEQUENCE GVKVCGNILL NAMFGGTERT ESERRLDGKY FVTLQDRDWY WKAYLPEDAD DATA SEQUENCE RDHPACNPFG PNGRRLGGLP FAKSLIIVSG LDLTCDRQLA YADALREDGH DATA SEQUENCE HVKVVQCENA TVGFYLLPNT VHYHEVMEEI SDFLNANL 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 15 V HA 0.000 nan 4.120 nan 0.000 0.244 15 V C 0.000 176.150 176.094 0.093 0.000 1.182 15 V CA 0.000 62.344 62.300 0.073 0.000 1.235 15 V CB 0.000 31.896 31.823 0.122 0.000 1.184 16 V N 3.371 123.379 119.914 0.157 0.000 2.407 16 V HA 0.593 4.713 4.120 -0.000 0.000 0.278 16 V C -2.202 174.015 176.094 0.206 0.000 1.037 16 V CA -1.619 60.823 62.300 0.236 0.000 0.900 16 V CB 0.651 32.743 31.823 0.448 0.000 0.983 16 V HN 0.611 nan 8.190 nan 0.000 0.459 17 P HA 0.063 nan 4.420 nan 0.000 0.266 17 P C 0.727 178.159 177.300 0.219 0.000 1.195 17 P CA -0.348 62.845 63.100 0.155 0.000 0.768 17 P CB 0.646 32.424 31.700 0.130 0.000 0.838 18 L N 3.225 124.548 121.223 0.167 0.000 2.013 18 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 18 L C 2.156 179.190 176.870 0.273 0.000 1.073 18 L CA 2.071 57.023 54.840 0.188 0.000 0.753 18 L CB -1.294 40.812 42.059 0.079 0.000 0.890 18 L HN 0.541 nan 8.230 nan 0.000 0.432 19 H N -2.055 117.078 119.070 0.106 0.000 2.423 19 H HA -0.126 4.430 4.556 -0.000 0.000 0.297 19 H C 1.824 177.189 175.328 0.060 0.000 1.075 19 H CA 1.334 57.420 56.048 0.063 0.000 1.342 19 H CB 0.334 30.100 29.762 0.007 0.000 1.395 19 H HN 0.404 nan 8.280 nan 0.000 0.530 20 T N -0.448 114.237 114.554 0.219 0.000 2.737 20 T HA -0.189 4.161 4.350 -0.000 0.000 0.265 20 T C 1.438 176.220 174.700 0.137 0.000 1.038 20 T CA 1.207 63.370 62.100 0.105 0.000 1.144 20 T CB -0.471 68.474 68.868 0.129 0.000 0.866 20 T HN 0.499 nan 8.240 nan 0.000 0.434 21 W N 1.560 122.972 121.300 0.186 0.000 2.335 21 W HA -0.195 4.465 4.660 -0.000 0.000 0.311 21 W C 2.155 178.766 176.519 0.154 0.000 1.213 21 W CA 0.932 58.462 57.345 0.309 0.000 1.274 21 W CB -0.596 29.030 29.460 0.276 0.000 1.148 21 W HN -0.051 nan 8.180 nan 0.000 0.498 22 V N 0.584 120.706 119.914 0.347 0.000 2.295 22 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 22 V C 2.150 178.213 176.094 -0.051 0.000 1.049 22 V CA 1.951 64.351 62.300 0.167 0.000 1.024 22 V CB -1.261 30.681 31.823 0.198 0.000 0.648 22 V HN 0.288 nan 8.190 nan 0.000 0.447 23 L N -0.214 120.998 121.223 -0.017 0.000 1.994 23 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 23 L C 2.218 178.990 176.870 -0.162 0.000 1.071 23 L CA 2.054 56.840 54.840 -0.090 0.000 0.745 23 L CB -0.511 41.505 42.059 -0.071 0.000 0.892 23 L HN 0.157 nan 8.230 nan 0.000 0.431 24 I N -0.784 119.570 120.570 -0.361 0.000 2.315 24 I HA -0.177 3.993 4.170 -0.000 0.000 0.248 24 I C 2.533 178.294 176.117 -0.594 0.000 1.117 24 I CA 1.160 62.108 61.300 -0.586 0.000 1.404 24 I CB -1.713 35.517 38.000 -1.282 0.000 1.071 24 I HN 0.239 nan 8.210 nan 0.000 0.419 25 S N 1.198 116.507 115.700 -0.652 0.000 2.383 25 S HA -0.187 4.283 4.470 -0.000 0.000 0.229 25 S C 1.882 176.285 174.600 -0.328 0.000 1.030 25 S CA 1.367 59.271 58.200 -0.493 0.000 1.002 25 S CB -0.353 62.373 63.200 -0.790 0.000 0.829 25 S HN 0.466 nan 8.310 nan 0.000 0.467 26 N N 0.864 119.374 118.700 -0.318 0.000 2.084 26 N HA -0.050 4.689 4.740 -0.000 0.000 0.190 26 N C 1.414 176.672 175.510 -0.420 0.000 1.030 26 N CA 1.270 54.124 53.050 -0.327 0.000 0.849 26 N CB -0.465 37.806 38.487 -0.360 0.000 1.012 26 N HN 0.317 nan 8.380 nan 0.000 0.423 27 F N 1.761 121.417 119.950 -0.491 0.000 2.095 27 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 27 F C 2.556 177.882 175.800 -0.791 0.000 1.104 27 F CA 1.464 58.974 58.000 -0.817 0.000 1.232 27 F CB -0.488 38.007 39.000 -0.841 0.000 0.987 27 F HN 0.104 nan 8.300 nan 0.000 0.475 28 K N 0.668 120.905 120.400 -0.272 0.000 2.032 28 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 28 K C 2.045 178.604 176.600 -0.068 0.000 1.048 28 K CA 1.594 57.805 56.287 -0.128 0.000 0.927 28 K CB -0.433 32.032 32.500 -0.057 0.000 0.712 28 K HN 0.278 nan 8.250 nan 0.000 0.441 29 L N 0.482 121.643 121.223 -0.104 0.000 2.093 29 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 29 L C 2.722 179.572 176.870 -0.034 0.000 1.085 29 L CA 1.118 55.924 54.840 -0.056 0.000 0.755 29 L CB -0.404 41.613 42.059 -0.070 0.000 0.904 29 L HN 0.284 nan 8.230 nan 0.000 0.435 30 S N -1.054 114.599 115.700 -0.078 0.000 2.368 30 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 30 S C 2.075 176.785 174.600 0.185 0.000 1.029 30 S CA 0.898 59.099 58.200 0.002 0.000 0.988 30 S CB -0.188 62.968 63.200 -0.074 0.000 0.838 30 S HN 0.334 nan 8.310 nan 0.000 0.462 31 Y N 2.417 122.734 120.300 0.028 0.000 2.373 31 Y HA 0.129 4.678 4.550 -0.000 0.000 0.293 31 Y C 2.318 178.248 175.900 0.049 0.000 1.129 31 Y CA 0.164 58.320 58.100 0.094 0.000 1.226 31 Y CB -1.216 37.261 38.460 0.029 0.000 1.000 31 Y HN 0.301 nan 8.280 nan 0.000 0.549 32 N N 0.888 119.679 118.700 0.152 0.000 2.192 32 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 32 N C 1.702 177.207 175.510 -0.009 0.000 1.013 32 N CA 1.825 54.901 53.050 0.042 0.000 0.863 32 N CB -0.488 38.015 38.487 0.028 0.000 0.990 32 N HN 0.586 nan 8.380 nan 0.000 0.430 33 I N -3.009 117.567 120.570 0.010 0.000 3.603 33 I HA 0.126 4.296 4.170 -0.000 0.000 0.297 33 I C 1.461 177.526 176.117 -0.087 0.000 1.269 33 I CA 0.558 61.839 61.300 -0.032 0.000 1.361 33 I CB -0.093 37.896 38.000 -0.018 0.000 1.063 33 I HN -0.105 nan 8.210 nan 0.000 0.448 34 L N 0.341 121.510 121.223 -0.090 0.000 2.354 34 L HA 0.259 4.599 4.340 -0.000 0.000 0.212 34 L C 1.095 177.740 176.870 -0.375 0.000 1.091 34 L CA 0.167 54.820 54.840 -0.313 0.000 0.828 34 L CB -0.283 41.595 42.059 -0.301 0.000 0.973 34 L HN 0.081 nan 8.230 nan 0.000 0.461 35 R N 1.612 121.937 120.500 -0.292 0.000 2.267 35 R HA 0.253 4.593 4.340 -0.000 0.000 0.319 35 R C -0.271 175.873 176.300 -0.260 0.000 1.067 35 R CA -0.204 55.528 56.100 -0.614 0.000 0.936 35 R CB 0.655 30.136 30.300 -1.365 0.000 1.006 35 R HN 0.158 nan 8.270 nan 0.000 0.452 36 R N 1.538 122.090 120.500 0.087 0.000 2.457 36 R HA 0.198 4.538 4.340 -0.000 0.000 0.284 36 R C 0.917 177.396 176.300 0.297 0.000 1.024 36 R CA -0.233 55.958 56.100 0.152 0.000 1.025 36 R CB 1.179 31.577 30.300 0.163 0.000 1.063 36 R HN 0.685 nan 8.270 nan 0.000 0.493 37 A N 1.876 124.805 122.820 0.181 0.000 2.070 37 A HA -0.184 4.135 4.320 -0.000 0.000 0.220 37 A C 1.201 178.912 177.584 0.212 0.000 1.159 37 A CA 1.800 53.958 52.037 0.201 0.000 0.656 37 A CB -0.375 18.691 19.000 0.111 0.000 0.800 37 A HN 0.831 nan 8.150 nan 0.000 0.453 38 D N -2.174 118.332 120.400 0.177 0.000 2.328 38 D HA 0.278 4.917 4.640 -0.000 0.000 0.226 38 D C 1.120 177.471 176.300 0.084 0.000 1.066 38 D CA 0.760 54.825 54.000 0.108 0.000 0.861 38 D CB -0.655 40.188 40.800 0.072 0.000 0.912 38 D HN 0.710 nan 8.370 nan 0.000 0.521 39 G N 0.039 108.942 108.800 0.171 0.000 2.179 39 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 39 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 39 G C 0.534 175.429 174.900 -0.009 0.000 0.977 39 G CA 0.740 45.767 45.100 -0.122 0.000 0.641 39 G HN 0.809 nan 8.290 nan 0.000 0.533 40 T N -2.230 112.454 114.554 0.216 0.000 2.884 40 T HA 0.752 5.102 4.350 -0.000 0.000 0.277 40 T C -0.375 174.619 174.700 0.491 0.000 0.976 40 T CA -0.433 61.814 62.100 0.245 0.000 0.956 40 T CB 2.466 71.417 68.868 0.138 0.000 1.113 40 T HN 1.127 nan 8.240 nan 0.000 0.554 41 F N 0.002 120.073 119.950 0.202 0.000 2.578 41 F HA 0.413 4.940 4.527 -0.000 0.000 0.311 41 F C -0.328 175.524 175.800 0.085 0.000 1.094 41 F CA -1.039 57.072 58.000 0.186 0.000 0.923 41 F CB 2.032 41.169 39.000 0.228 0.000 1.230 41 F HN 0.553 nan 8.300 nan 0.000 0.450 42 E N 4.790 124.576 120.200 -0.690 0.000 1.999 42 E HA 0.005 4.354 4.350 -0.000 0.000 0.296 42 E C 1.023 177.302 176.600 -0.535 0.000 1.187 42 E CA 0.025 56.120 56.400 -0.508 0.000 1.229 42 E CB 0.220 29.664 29.700 -0.427 0.000 1.131 42 E HN 0.575 nan 8.360 nan 0.000 0.478 43 R N 1.889 122.315 120.500 -0.124 0.000 2.066 43 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 43 R C 1.026 177.379 176.300 0.088 0.000 1.131 43 R CA 1.687 57.882 56.100 0.158 0.000 0.955 43 R CB -0.091 30.372 30.300 0.273 0.000 0.851 43 R HN 0.144 nan 8.270 nan 0.000 0.432 44 D N 0.062 120.486 120.400 0.041 0.000 2.123 44 D HA -0.162 4.478 4.640 -0.000 0.000 0.196 44 D C 1.713 178.047 176.300 0.057 0.000 0.992 44 D CA 1.233 55.262 54.000 0.047 0.000 0.833 44 D CB -0.282 40.526 40.800 0.014 0.000 0.954 44 D HN 0.186 nan 8.370 nan 0.000 0.455 45 L N 0.474 121.694 121.223 -0.005 0.000 2.093 45 L HA 0.079 4.419 4.340 -0.000 0.000 0.208 45 L C 2.147 179.076 176.870 0.097 0.000 1.085 45 L CA 1.802 56.653 54.840 0.019 0.000 0.755 45 L CB -0.958 41.063 42.059 -0.063 0.000 0.904 45 L HN 0.064 nan 8.230 nan 0.000 0.435 46 G N -1.056 107.770 108.800 0.044 0.000 2.421 46 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 46 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 46 G C 1.422 176.449 174.900 0.211 0.000 1.171 46 G CA 0.587 45.787 45.100 0.167 0.000 0.775 46 G HN 0.404 nan 8.290 nan 0.000 0.543 47 E N -0.126 120.186 120.200 0.185 0.000 2.085 47 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 47 E C 2.075 178.761 176.600 0.144 0.000 0.994 47 E CA 0.985 57.477 56.400 0.154 0.000 0.801 47 E CB -0.424 29.357 29.700 0.135 0.000 0.743 47 E HN 0.616 nan 8.360 nan 0.000 0.453 48 Y N 0.922 121.247 120.300 0.041 0.000 2.242 48 Y HA -0.099 4.451 4.550 -0.000 0.000 0.291 48 Y C 2.083 177.995 175.900 0.019 0.000 1.137 48 Y CA 1.196 59.308 58.100 0.021 0.000 1.181 48 Y CB -0.054 38.410 38.460 0.007 0.000 0.989 48 Y HN -0.069 nan 8.280 nan 0.000 0.527 49 L N -0.208 121.083 121.223 0.114 0.000 2.509 49 L HA 0.037 4.377 4.340 -0.000 0.000 0.222 49 L C 0.302 177.164 176.870 -0.013 0.000 1.123 49 L CA 0.059 54.918 54.840 0.032 0.000 0.856 49 L CB -0.337 41.795 42.059 0.122 0.000 0.985 49 L HN 0.064 nan 8.230 nan 0.000 0.456 50 D N 1.179 121.604 120.400 0.040 0.000 2.414 50 D HA -0.024 4.616 4.640 -0.000 0.000 0.242 50 D C 0.278 176.562 176.300 -0.026 0.000 1.129 50 D CA 0.101 54.137 54.000 0.059 0.000 0.885 50 D CB 0.673 41.542 40.800 0.116 0.000 1.198 50 D HN -0.090 nan 8.370 nan 0.000 0.437 51 R N 3.428 123.908 120.500 -0.034 0.000 2.196 51 R HA 0.380 4.720 4.340 -0.000 0.000 0.340 51 R C -0.329 175.959 176.300 -0.020 0.000 1.043 51 R CA -0.384 55.679 56.100 -0.062 0.000 0.883 51 R CB 0.299 30.536 30.300 -0.104 0.000 1.078 51 R HN 0.440 nan 8.270 nan 0.000 0.462 52 R N 2.470 122.953 120.500 -0.029 0.000 2.837 52 R HA 0.501 4.841 4.340 -0.000 0.000 0.271 52 R C -1.050 175.238 176.300 -0.020 0.000 0.993 52 R CA -1.009 55.085 56.100 -0.010 0.000 0.931 52 R CB 2.370 32.666 30.300 -0.008 0.000 1.206 52 R HN 0.441 nan 8.270 nan 0.000 0.474 53 V N -1.119 118.791 119.914 -0.005 0.000 2.962 53 V HA 0.681 4.801 4.120 -0.000 0.000 0.313 53 V C -2.514 173.574 176.094 -0.011 0.000 1.099 53 V CA -2.307 59.986 62.300 -0.012 0.000 0.971 53 V CB 1.822 33.642 31.823 -0.006 0.000 1.028 53 V HN 0.668 nan 8.190 nan 0.000 0.430 54 P HA 0.489 nan 4.420 nan 0.000 0.278 54 P C -0.247 177.018 177.300 -0.059 0.000 1.258 54 P CA -0.183 62.895 63.100 -0.037 0.000 0.811 54 P CB 1.194 32.870 31.700 -0.039 0.000 1.063 55 A N 1.745 124.513 122.820 -0.087 0.000 2.425 55 A HA 0.306 4.626 4.320 -0.000 0.000 0.242 55 A C 0.305 177.786 177.584 -0.172 0.000 1.077 55 A CA 0.073 52.014 52.037 -0.161 0.000 0.781 55 A CB -0.480 18.414 19.000 -0.178 0.000 1.020 55 A HN 0.655 nan 8.150 nan 0.000 0.494 56 N N 0.054 118.603 118.700 -0.251 0.000 2.425 56 N HA 0.415 5.155 4.740 -0.000 0.000 0.289 56 N C 0.371 175.647 175.510 -0.390 0.000 1.074 56 N CA 0.201 53.111 53.050 -0.235 0.000 0.905 56 N CB 2.056 40.459 38.487 -0.139 0.000 1.586 56 N HN 0.573 nan 8.380 nan 0.000 0.490 57 A N 2.525 125.129 122.820 -0.361 0.000 2.067 57 A HA 0.037 4.357 4.320 -0.000 0.000 0.219 57 A C 1.305 178.793 177.584 -0.160 0.000 1.158 57 A CA 1.311 53.131 52.037 -0.361 0.000 0.661 57 A CB -0.481 18.495 19.000 -0.039 0.000 0.801 57 A HN 0.771 nan 8.150 nan 0.000 0.452 58 R N 1.792 122.225 120.500 -0.113 0.000 2.316 58 R HA 0.457 4.797 4.340 -0.000 0.000 0.314 58 R C -2.556 173.705 176.300 -0.065 0.000 1.069 58 R CA -1.535 54.529 56.100 -0.059 0.000 0.959 58 R CB -1.164 29.110 30.300 -0.042 0.000 0.987 58 R HN 0.466 nan 8.270 nan 0.000 0.446 59 P HA 0.147 nan 4.420 nan 0.000 0.268 59 P C -0.938 176.350 177.300 -0.019 0.000 1.205 59 P CA -0.321 62.767 63.100 -0.020 0.000 0.771 59 P CB 0.941 32.643 31.700 0.005 0.000 0.858 60 L N 1.953 123.167 121.223 -0.014 0.000 2.362 60 L HA 0.227 4.566 4.340 -0.000 0.000 0.275 60 L C 0.307 177.177 176.870 -0.000 0.000 0.998 60 L CA -0.061 54.773 54.840 -0.010 0.000 0.820 60 L CB 1.376 43.426 42.059 -0.015 0.000 1.270 60 L HN 0.403 nan 8.230 nan 0.000 0.415 61 E N 3.374 123.573 120.200 -0.001 0.000 2.257 61 E HA -0.170 4.179 4.350 -0.000 0.000 0.224 61 E C 1.212 177.818 176.600 0.010 0.000 1.286 61 E CA 1.552 57.954 56.400 0.004 0.000 0.716 61 E CB -2.009 27.692 29.700 0.002 0.000 1.159 61 E HN 1.801 nan 8.360 nan 0.000 0.367 62 G N -3.018 105.789 108.800 0.012 0.000 2.179 62 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 62 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 62 G C 0.356 175.273 174.900 0.029 0.000 0.977 62 G CA 0.073 45.184 45.100 0.018 0.000 0.641 62 G HN 1.186 nan 8.290 nan 0.000 0.533 63 V N 0.909 120.843 119.914 0.033 0.000 2.540 63 V HA 0.742 4.862 4.120 -0.000 0.000 0.302 63 V C 0.325 176.446 176.094 0.046 0.000 1.035 63 V CA -0.354 61.983 62.300 0.062 0.000 0.873 63 V CB 1.859 33.731 31.823 0.081 0.000 0.992 63 V HN 0.291 nan 8.190 nan 0.000 0.428 64 S N 2.513 118.246 115.700 0.055 0.000 2.651 64 S HA 0.820 5.290 4.470 -0.000 0.000 0.291 64 S C -0.115 174.360 174.600 -0.208 0.000 1.141 64 S CA -0.566 57.576 58.200 -0.096 0.000 1.027 64 S CB 1.750 64.938 63.200 -0.019 0.000 1.043 64 S HN 1.021 nan 8.310 nan 0.000 0.530 65 S N 1.014 116.314 115.700 -0.665 0.000 2.564 65 S HA 0.843 5.313 4.470 -0.000 0.000 0.274 65 S C -1.550 172.430 174.600 -1.033 0.000 1.124 65 S CA -0.793 56.992 58.200 -0.692 0.000 0.869 65 S CB 0.784 63.658 63.200 -0.544 0.000 1.105 65 S HN 0.437 nan 8.310 nan 0.000 0.472 66 F N 0.417 120.241 119.950 -0.210 0.000 2.607 66 F HA 0.442 4.969 4.527 -0.000 0.000 0.322 66 F C -0.404 175.336 175.800 -0.101 0.000 1.176 66 F CA -0.743 57.191 58.000 -0.109 0.000 0.977 66 F CB 1.689 40.652 39.000 -0.061 0.000 1.242 66 F HN 0.473 nan 8.300 nan 0.000 0.465 67 D N 1.718 122.165 120.400 0.078 0.000 2.264 67 D HA 0.253 4.893 4.640 -0.000 0.000 0.249 67 D C -0.738 175.642 176.300 0.134 0.000 1.070 67 D CA 0.253 54.282 54.000 0.049 0.000 0.912 67 D CB 1.051 41.853 40.800 0.003 0.000 1.193 67 D HN 0.622 nan 8.370 nan 0.000 0.427 68 H N 1.750 120.781 119.070 -0.065 0.000 3.137 68 H HA 0.234 4.790 4.556 -0.000 0.000 0.336 68 H C -0.971 174.248 175.328 -0.181 0.000 1.055 68 H CA -0.527 55.462 56.048 -0.098 0.000 1.349 68 H CB 0.824 30.527 29.762 -0.099 0.000 1.939 68 H HN 0.264 nan 8.280 nan 0.000 0.487 69 I N 7.271 127.483 120.570 -0.596 0.000 2.379 69 I HA 0.025 4.195 4.170 -0.000 0.000 0.290 69 I C 1.861 177.583 176.117 -0.659 0.000 1.063 69 I CA 0.084 61.097 61.300 -0.478 0.000 1.351 69 I CB 0.719 38.552 38.000 -0.278 0.000 1.410 69 I HN 0.558 nan 8.210 nan 0.000 0.505 70 I N 1.035 121.298 120.570 -0.511 0.000 3.854 70 I HA 0.317 4.487 4.170 -0.000 0.000 0.312 70 I C 0.236 176.236 176.117 -0.196 0.000 1.273 70 I CA 0.432 61.440 61.300 -0.488 0.000 1.298 70 I CB 0.369 37.888 38.000 -0.801 0.000 1.071 70 I HN 0.390 nan 8.210 nan 0.000 0.428 71 D N 0.847 121.155 120.400 -0.153 0.000 2.363 71 D HA 0.130 4.770 4.640 -0.000 0.000 0.258 71 D C 0.893 177.157 176.300 -0.061 0.000 1.259 71 D CA -0.070 53.892 54.000 -0.064 0.000 0.921 71 D CB 1.392 42.175 40.800 -0.028 0.000 1.201 71 D HN 0.002 nan 8.370 nan 0.000 0.524 72 Q N 1.050 120.817 119.800 -0.055 0.000 2.197 72 Q HA -0.194 4.146 4.340 -0.000 0.000 0.207 72 Q C 2.516 178.503 176.000 -0.021 0.000 0.984 72 Q CA 1.910 57.687 55.803 -0.043 0.000 0.869 72 Q CB -0.868 27.852 28.738 -0.030 0.000 0.906 72 Q HN 0.749 nan 8.270 nan 0.000 0.426 73 S N 0.841 116.536 115.700 -0.008 0.000 2.351 73 S HA -0.135 4.335 4.470 -0.000 0.000 0.220 73 S C 2.099 176.700 174.600 0.001 0.000 1.035 73 S CA 2.259 60.461 58.200 0.003 0.000 1.031 73 S CB -0.629 62.579 63.200 0.014 0.000 0.928 73 S HN 0.654 nan 8.310 nan 0.000 0.433 74 V N -2.665 117.246 119.914 -0.005 0.000 3.647 74 V HA 0.613 4.733 4.120 -0.000 0.000 0.279 74 V C 1.317 177.392 176.094 -0.031 0.000 1.314 74 V CA 0.333 62.626 62.300 -0.012 0.000 1.125 74 V CB -0.660 31.154 31.823 -0.015 0.000 0.907 74 V HN 1.404 nan 8.190 nan 0.000 0.434 75 G N 0.979 109.757 108.800 -0.036 0.000 2.246 75 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.273 75 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.273 75 G C -0.327 174.533 174.900 -0.065 0.000 1.055 75 G CA 0.456 45.527 45.100 -0.049 0.000 0.851 75 G HN 0.714 nan 8.290 nan 0.000 0.500 76 L N 0.240 121.419 121.223 -0.073 0.000 2.360 76 L HA 0.725 5.065 4.340 -0.000 0.000 0.276 76 L C 0.325 177.120 176.870 -0.125 0.000 1.121 76 L CA -0.175 54.620 54.840 -0.075 0.000 0.845 76 L CB 1.040 43.069 42.059 -0.050 0.000 1.143 76 L HN 0.355 nan 8.230 nan 0.000 0.452 77 E N 3.223 123.362 120.200 -0.100 0.000 2.256 77 E HA 0.680 5.030 4.350 -0.000 0.000 0.267 77 E C -1.474 175.065 176.600 -0.101 0.000 0.892 77 E CA -0.894 55.432 56.400 -0.123 0.000 0.775 77 E CB 1.944 31.598 29.700 -0.077 0.000 1.207 77 E HN 0.512 nan 8.360 nan 0.000 0.420 78 V N 0.726 120.558 119.914 -0.136 0.000 2.960 78 V HA 0.695 4.815 4.120 -0.000 0.000 0.315 78 V C -0.821 175.253 176.094 -0.033 0.000 1.087 78 V CA -1.009 61.240 62.300 -0.084 0.000 0.982 78 V CB 1.840 33.556 31.823 -0.178 0.000 1.039 78 V HN 0.712 nan 8.190 nan 0.000 0.437 79 R N 2.393 122.900 120.500 0.012 0.000 2.387 79 R HA 0.745 5.085 4.340 -0.000 0.000 0.314 79 R C -1.296 174.947 176.300 -0.094 0.000 0.958 79 R CA -0.672 55.378 56.100 -0.082 0.000 0.846 79 R CB 1.371 31.584 30.300 -0.144 0.000 1.147 79 R HN 0.871 nan 8.270 nan 0.000 0.447 80 I N 5.011 125.528 120.570 -0.087 0.000 2.336 80 I HA 0.286 4.456 4.170 -0.000 0.000 0.292 80 I C -0.937 175.180 176.117 -0.000 0.000 0.991 80 I CA -0.648 60.701 61.300 0.081 0.000 1.227 80 I CB 1.090 39.208 38.000 0.197 0.000 1.366 80 I HN 0.534 nan 8.210 nan 0.000 0.466 81 Y N 5.539 125.969 120.300 0.217 0.000 2.393 81 Y HA 0.757 5.307 4.550 -0.000 0.000 0.341 81 Y C 0.001 176.001 175.900 0.167 0.000 0.988 81 Y CA -0.867 57.337 58.100 0.174 0.000 1.078 81 Y CB 1.660 40.179 38.460 0.098 0.000 1.203 81 Y HN 0.533 nan 8.280 nan 0.000 0.453 82 R N 0.626 121.309 120.500 0.307 0.000 2.663 82 R HA 0.904 5.244 4.340 -0.000 0.000 0.267 82 R C -1.276 175.107 176.300 0.139 0.000 1.038 82 R CA -1.190 55.016 56.100 0.177 0.000 0.886 82 R CB 1.055 31.427 30.300 0.122 0.000 1.249 82 R HN 0.661 nan 8.270 nan 0.000 0.463 107 A N 0.852 123.659 122.820 -0.021 0.000 2.498 107 A HA 0.627 4.947 4.320 -0.000 0.000 0.239 107 A C -2.016 175.574 177.584 0.010 0.000 1.068 107 A CA -0.377 51.653 52.037 -0.011 0.000 0.766 107 A CB -0.660 18.336 19.000 -0.007 0.000 1.003 107 A HN 0.559 nan 8.150 nan 0.000 0.497 108 P HA 0.090 nan 4.420 nan 0.000 0.267 108 P C 0.772 178.114 177.300 0.070 0.000 1.195 108 P CA 0.830 63.953 63.100 0.038 0.000 0.773 108 P CB 0.590 32.289 31.700 -0.001 0.000 0.837 109 A N 2.492 125.399 122.820 0.146 0.000 1.935 109 A HA 0.290 4.610 4.320 -0.000 0.000 0.214 109 A C 1.623 179.268 177.584 0.102 0.000 1.178 109 A CA 1.911 54.050 52.037 0.170 0.000 0.640 109 A CB -1.118 18.112 19.000 0.384 0.000 0.825 109 A HN 0.637 nan 8.150 nan 0.000 0.447 110 A N -2.623 120.241 122.820 0.073 0.000 2.705 110 A HA -0.076 4.244 4.320 -0.000 0.000 0.225 110 A C 0.897 178.508 177.584 0.045 0.000 0.668 110 A CA 1.885 53.945 52.037 0.039 0.000 1.354 110 A CB -2.258 16.759 19.000 0.030 0.000 1.286 110 A HN 1.922 nan 8.150 nan 0.000 0.688 111 E N 1.560 121.807 120.200 0.079 0.000 2.089 111 E HA 0.564 4.914 4.350 -0.000 0.000 0.284 111 E C -2.151 174.526 176.600 0.128 0.000 1.023 111 E CA -1.331 55.118 56.400 0.082 0.000 0.819 111 E CB -0.313 29.434 29.700 0.079 0.000 1.076 111 E HN 0.568 nan 8.360 nan 0.000 0.396 112 P HA 0.207 nan 4.420 nan 0.000 0.264 112 P C -0.565 176.810 177.300 0.125 0.000 1.179 112 P CA 0.301 63.411 63.100 0.016 0.000 0.763 112 P CB -0.107 31.587 31.700 -0.010 0.000 0.806 113 F N 1.646 121.612 119.950 0.025 0.000 2.601 113 F HA 0.750 5.277 4.527 -0.000 0.000 0.309 113 F C -3.052 172.788 175.800 0.067 0.000 1.089 113 F CA -3.193 54.828 58.000 0.034 0.000 0.940 113 F CB 1.357 40.371 39.000 0.024 0.000 1.273 113 F HN 0.085 nan 8.300 nan 0.000 0.450 114 P HA 0.289 nan 4.420 nan 0.000 0.284 114 P C -1.064 176.410 177.300 0.290 0.000 1.253 114 P CA -0.396 62.840 63.100 0.226 0.000 0.800 114 P CB 2.158 33.911 31.700 0.089 0.000 0.961 115 V N 5.026 125.090 119.914 0.250 0.000 2.334 115 V HA 0.296 4.416 4.120 -0.000 0.000 0.281 115 V C 0.456 176.710 176.094 0.266 0.000 1.016 115 V CA -0.475 61.976 62.300 0.251 0.000 0.832 115 V CB 0.781 32.697 31.823 0.154 0.000 0.999 115 V HN 0.397 nan 8.190 nan 0.000 0.439 116 I N 6.300 127.011 120.570 0.234 0.000 2.304 116 I HA 0.403 4.573 4.170 -0.000 0.000 0.291 116 I C -0.143 176.102 176.117 0.213 0.000 1.018 116 I CA -0.164 61.266 61.300 0.217 0.000 1.260 116 I CB 1.143 39.220 38.000 0.127 0.000 1.390 116 I HN 0.414 nan 8.210 nan 0.000 0.475 117 I N 6.799 127.471 120.570 0.170 0.000 2.297 117 I HA 0.219 4.389 4.170 -0.000 0.000 0.291 117 I C -0.459 175.613 176.117 -0.076 0.000 1.033 117 I CA -0.307 61.011 61.300 0.030 0.000 1.253 117 I CB 0.627 38.624 38.000 -0.004 0.000 1.396 117 I HN 0.417 nan 8.210 nan 0.000 0.476 118 F N 7.845 127.633 119.950 -0.269 0.000 2.450 118 F HA 0.588 5.115 4.527 -0.000 0.000 0.332 118 F C -1.204 174.298 175.800 -0.497 0.000 1.093 118 F CA -0.911 56.955 58.000 -0.223 0.000 1.003 118 F CB 1.080 40.093 39.000 0.021 0.000 1.151 118 F HN 0.128 nan 8.300 nan 0.000 0.474 119 F N 4.836 124.240 119.950 -0.911 0.000 2.460 119 F HA 0.292 4.819 4.527 -0.000 0.000 0.341 119 F C -0.165 174.847 175.800 -1.314 0.000 1.130 119 F CA -0.918 56.589 58.000 -0.823 0.000 0.962 119 F CB 0.509 39.170 39.000 -0.565 0.000 1.171 119 F HN 0.567 nan 8.300 nan 0.000 0.436 120 H N 0.568 119.185 119.070 -0.754 0.000 2.929 120 H HA 0.479 5.035 4.556 -0.000 0.000 0.358 120 H C 0.605 175.576 175.328 -0.595 0.000 1.111 120 H CA -0.390 55.067 56.048 -0.986 0.000 1.409 120 H CB 0.226 29.467 29.762 -0.868 0.000 1.373 120 H HN 0.700 nan 8.280 nan 0.000 0.610 121 G N -0.560 107.969 108.800 -0.451 0.000 2.508 121 G HA2 0.421 4.381 3.960 -0.000 0.000 0.278 121 G HA3 0.421 4.381 3.960 -0.000 0.000 0.278 121 G C 0.763 175.691 174.900 0.047 0.000 1.389 121 G CA -0.773 44.259 45.100 -0.114 0.000 1.050 121 G HN 1.575 nan 8.290 nan 0.000 0.522 122 G N -2.756 106.021 108.800 -0.038 0.000 2.183 122 G HA2 0.063 4.023 3.960 -0.000 0.000 0.168 122 G HA3 0.063 4.023 3.960 -0.000 0.000 0.168 122 G C 0.575 175.327 174.900 -0.247 0.000 1.008 122 G CA 0.572 45.646 45.100 -0.043 0.000 0.677 122 G HN 1.843 nan 8.290 nan 0.000 0.498 123 S N -1.585 113.862 115.700 -0.421 0.000 3.748 123 S HA -0.264 4.206 4.470 -0.000 0.000 0.329 123 S C 1.175 175.598 174.600 -0.294 0.000 1.104 123 S CA 1.221 59.082 58.200 -0.566 0.000 0.954 123 S CB -1.954 60.696 63.200 -0.917 0.000 0.910 123 S HN 1.816 nan 8.310 nan 0.000 0.494 124 F N -4.369 115.424 119.950 -0.262 0.000 2.590 124 F HA -0.321 4.206 4.527 -0.000 0.000 0.471 124 F C 1.402 177.142 175.800 -0.100 0.000 0.551 124 F CA 1.125 59.006 58.000 -0.198 0.000 1.228 124 F CB -1.552 37.189 39.000 -0.431 0.000 1.862 124 F HN 0.371 nan 8.300 nan 0.000 0.271 125 V N -1.872 118.009 119.914 -0.055 0.000 3.013 125 V HA 0.140 4.260 4.120 -0.000 0.000 0.238 125 V C 1.111 176.920 176.094 -0.475 0.000 1.161 125 V CA 0.868 62.991 62.300 -0.296 0.000 1.170 125 V CB 0.025 31.624 31.823 -0.374 0.000 0.917 125 V HN 0.227 nan 8.190 nan 0.000 0.478 126 H N -0.016 118.900 119.070 -0.256 0.000 2.508 126 H HA 0.672 5.228 4.556 -0.000 0.000 0.344 126 H C 0.258 175.515 175.328 -0.118 0.000 1.192 126 H CA 0.425 56.348 56.048 -0.209 0.000 1.290 126 H CB 1.649 31.195 29.762 -0.361 0.000 1.571 126 H HN 0.313 nan 8.280 nan 0.000 0.555 127 S N -0.124 115.611 115.700 0.059 0.000 3.976 127 S HA -0.134 4.336 4.470 -0.000 0.000 0.652 127 S C -0.296 173.968 174.600 -0.561 0.000 1.522 127 S CA 0.434 58.558 58.200 -0.126 0.000 1.667 127 S CB -0.654 62.550 63.200 0.007 0.000 0.332 127 S HN 0.920 nan 8.310 nan 0.000 1.594 128 S N -0.851 114.448 115.700 -0.667 0.000 2.588 128 S HA 0.754 5.224 4.470 -0.000 0.000 0.269 128 S C 0.713 175.151 174.600 -0.270 0.000 1.157 128 S CA 0.516 58.413 58.200 -0.506 0.000 0.824 128 S CB 1.190 64.301 63.200 -0.149 0.000 1.126 128 S HN 1.945 nan 8.310 nan 0.000 0.464 129 A N 1.606 124.441 122.820 0.024 0.000 2.019 129 A HA 0.022 4.342 4.320 -0.000 0.000 0.219 129 A C 2.073 179.760 177.584 0.172 0.000 1.164 129 A CA 2.213 54.366 52.037 0.193 0.000 0.644 129 A CB -1.118 17.996 19.000 0.189 0.000 0.805 129 A HN 1.532 nan 8.150 nan 0.000 0.449 130 S N -0.674 115.075 115.700 0.081 0.000 2.558 130 S HA 0.126 4.595 4.470 -0.000 0.000 0.217 130 S C 0.718 175.360 174.600 0.071 0.000 0.975 130 S CA 0.319 58.561 58.200 0.071 0.000 0.912 130 S CB -0.390 62.826 63.200 0.026 0.000 0.776 130 S HN 0.268 nan 8.310 nan 0.000 0.526 131 S N 2.567 118.316 115.700 0.083 0.000 2.537 131 S HA 0.139 4.609 4.470 -0.000 0.000 0.286 131 S C 1.200 175.840 174.600 0.068 0.000 1.299 131 S CA -0.121 58.130 58.200 0.085 0.000 1.067 131 S CB 0.910 64.191 63.200 0.136 0.000 0.864 131 S HN 0.501 nan 8.310 nan 0.000 0.494 132 T N 3.739 118.302 114.554 0.016 0.000 2.720 132 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 132 T C 1.905 176.558 174.700 -0.078 0.000 1.037 132 T CA 1.745 63.833 62.100 -0.021 0.000 1.144 132 T CB -0.560 68.285 68.868 -0.040 0.000 0.864 132 T HN 0.796 nan 8.240 nan 0.000 0.444 133 I N -1.563 118.923 120.570 -0.140 0.000 2.264 133 I HA -0.199 3.971 4.170 -0.000 0.000 0.248 133 I C 2.084 177.963 176.117 -0.398 0.000 1.111 133 I CA 1.748 62.858 61.300 -0.317 0.000 1.382 133 I CB -0.649 37.073 38.000 -0.463 0.000 1.060 133 I HN 0.132 nan 8.210 nan 0.000 0.418 134 Y N 1.109 121.396 120.300 -0.021 0.000 2.397 134 Y HA -0.018 4.532 4.550 -0.000 0.000 0.292 134 Y C 2.261 178.089 175.900 -0.120 0.000 1.115 134 Y CA 0.993 59.082 58.100 -0.018 0.000 1.208 134 Y CB -0.655 37.924 38.460 0.198 0.000 1.046 134 Y HN 0.252 nan 8.280 nan 0.000 0.552 135 D N -0.771 119.681 120.400 0.086 0.000 2.104 135 D HA -0.208 4.432 4.640 -0.000 0.000 0.194 135 D C 2.450 178.663 176.300 -0.146 0.000 0.994 135 D CA 1.715 55.751 54.000 0.060 0.000 0.830 135 D CB -0.048 40.834 40.800 0.136 0.000 0.959 135 D HN 0.133 nan 8.370 nan 0.000 0.452 136 S N -1.020 114.594 115.700 -0.143 0.000 2.356 136 S HA -0.162 4.307 4.470 -0.000 0.000 0.223 136 S C 1.931 176.352 174.600 -0.298 0.000 1.032 136 S CA 1.045 59.134 58.200 -0.185 0.000 1.005 136 S CB -0.518 62.587 63.200 -0.158 0.000 0.867 136 S HN 0.341 nan 8.310 nan 0.000 0.449 137 L N 1.523 122.516 121.223 -0.382 0.000 2.012 137 L HA -0.060 4.279 4.340 -0.000 0.000 0.210 137 L C 2.543 178.844 176.870 -0.948 0.000 1.073 137 L CA 2.025 56.482 54.840 -0.638 0.000 0.748 137 L CB -1.125 40.542 42.059 -0.653 0.000 0.891 137 L HN 0.481 nan 8.230 nan 0.000 0.431 138 C N -0.497 118.280 119.300 -0.871 0.000 2.429 138 C HA -0.122 4.338 4.460 -0.000 0.000 0.277 138 C C 2.757 177.333 174.990 -0.690 0.000 1.262 138 C CA 0.842 59.317 59.018 -0.904 0.000 1.733 138 C CB -1.098 25.912 27.740 -1.216 0.000 2.010 138 C HN 0.516 nan 8.230 nan 0.000 0.483 139 R N 0.500 120.638 120.500 -0.603 0.000 2.091 139 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 139 R C 2.456 178.663 176.300 -0.156 0.000 1.136 139 R CA 1.412 57.348 56.100 -0.273 0.000 0.959 139 R CB -0.287 29.925 30.300 -0.146 0.000 0.856 139 R HN 0.594 nan 8.270 nan 0.000 0.437 140 R N -0.379 120.005 120.500 -0.194 0.000 2.081 140 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 140 R C 2.160 178.501 176.300 0.069 0.000 1.131 140 R CA 1.255 57.314 56.100 -0.068 0.000 0.960 140 R CB -0.317 29.931 30.300 -0.087 0.000 0.856 140 R HN 0.139 nan 8.270 nan 0.000 0.436 141 F N 0.742 120.581 119.950 -0.185 0.000 2.126 141 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 141 F C 2.440 178.175 175.800 -0.109 0.000 1.096 141 F CA 0.620 58.519 58.000 -0.169 0.000 1.255 141 F CB -1.085 37.779 39.000 -0.228 0.000 0.997 141 F HN -0.210 nan 8.300 nan 0.000 0.479 142 V N 0.166 120.138 119.914 0.097 0.000 2.287 142 V HA -0.315 3.804 4.120 -0.000 0.000 0.248 142 V C 2.361 178.486 176.094 0.051 0.000 1.053 142 V CA 1.968 64.311 62.300 0.072 0.000 1.027 142 V CB -0.630 31.238 31.823 0.075 0.000 0.646 142 V HN 0.276 nan 8.190 nan 0.000 0.447 143 K N 0.089 120.515 120.400 0.043 0.000 2.057 143 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 143 K C 2.083 178.703 176.600 0.033 0.000 1.049 143 K CA 1.726 58.034 56.287 0.035 0.000 0.931 143 K CB -0.428 32.092 32.500 0.033 0.000 0.714 143 K HN 0.512 nan 8.250 nan 0.000 0.440 144 L N -0.267 120.981 121.223 0.041 0.000 2.291 144 L HA -0.015 4.325 4.340 -0.000 0.000 0.214 144 L C 1.966 178.824 176.870 -0.020 0.000 1.120 144 L CA 1.803 56.652 54.840 0.015 0.000 0.799 144 L CB -0.456 41.614 42.059 0.017 0.000 0.925 144 L HN 0.034 nan 8.230 nan 0.000 0.446 145 S N -2.351 113.336 115.700 -0.021 0.000 2.502 145 S HA 0.133 4.603 4.470 -0.000 0.000 0.215 145 S C 0.925 175.529 174.600 0.005 0.000 1.009 145 S CA -0.124 58.049 58.200 -0.045 0.000 0.908 145 S CB -0.181 62.974 63.200 -0.073 0.000 0.801 145 S HN 0.405 nan 8.310 nan 0.000 0.505 146 K N 0.948 121.359 120.400 0.019 0.000 3.088 146 K HA -0.126 4.194 4.320 -0.000 0.000 0.273 146 K C 0.563 177.184 176.600 0.035 0.000 1.111 146 K CA 0.930 57.230 56.287 0.021 0.000 0.803 146 K CB -2.455 30.058 32.500 0.021 0.000 1.226 146 K HN 0.651 nan 8.250 nan 0.000 0.485 147 G N -0.676 108.166 108.800 0.070 0.000 3.008 147 G HA2 0.648 4.608 3.960 -0.000 0.000 0.181 147 G HA3 0.648 4.608 3.960 -0.000 0.000 0.181 147 G C -0.654 174.310 174.900 0.106 0.000 1.309 147 G CA -0.300 44.892 45.100 0.153 0.000 1.009 147 G HN 0.015 nan 8.290 nan 0.000 0.584 148 V N -0.338 119.714 119.914 0.230 0.000 2.628 148 V HA 0.595 4.715 4.120 -0.000 0.000 0.306 148 V C -0.479 175.768 176.094 0.255 0.000 1.045 148 V CA -0.597 61.835 62.300 0.219 0.000 0.905 148 V CB 1.739 33.717 31.823 0.258 0.000 0.997 148 V HN 0.424 nan 8.190 nan 0.000 0.436 149 V N 4.227 124.315 119.914 0.289 0.000 2.555 149 V HA 0.540 4.660 4.120 -0.000 0.000 0.302 149 V C -0.489 175.839 176.094 0.389 0.000 1.038 149 V CA -0.599 61.890 62.300 0.316 0.000 0.887 149 V CB 2.107 34.074 31.823 0.241 0.000 0.991 149 V HN 0.601 nan 8.190 nan 0.000 0.434 150 V N 3.349 123.451 119.914 0.313 0.000 2.349 150 V HA 0.407 4.527 4.120 -0.000 0.000 0.284 150 V C 0.136 176.355 176.094 0.209 0.000 1.014 150 V CA -0.266 62.196 62.300 0.269 0.000 0.826 150 V CB 1.590 33.568 31.823 0.258 0.000 1.009 150 V HN 0.852 nan 8.190 nan 0.000 0.431 151 S N 4.365 120.235 115.700 0.282 0.000 2.457 151 S HA 0.627 5.097 4.470 -0.000 0.000 0.289 151 S C -0.422 174.252 174.600 0.124 0.000 1.163 151 S CA -0.445 57.920 58.200 0.275 0.000 1.078 151 S CB 1.163 64.660 63.200 0.496 0.000 0.987 151 S HN 0.482 nan 8.310 nan 0.000 0.482 152 V N 5.708 125.626 119.914 0.007 0.000 2.370 152 V HA 0.316 4.436 4.120 -0.000 0.000 0.279 152 V C 0.404 176.603 176.094 0.175 0.000 1.029 152 V CA -0.919 61.418 62.300 0.062 0.000 0.870 152 V CB 1.041 32.900 31.823 0.061 0.000 0.984 152 V HN 0.865 nan 8.190 nan 0.000 0.451 153 N N 4.435 123.204 118.700 0.114 0.000 3.178 153 N HA 0.151 4.891 4.740 -0.000 0.000 0.300 153 N C -0.327 175.214 175.510 0.052 0.000 1.242 153 N CA -0.354 52.742 53.050 0.076 0.000 1.192 153 N CB -0.377 38.126 38.487 0.027 0.000 1.463 153 N HN 0.672 nan 8.380 nan 0.000 0.539 154 Y N -0.566 119.770 120.300 0.060 0.000 2.480 154 Y HA 0.306 4.856 4.550 -0.000 0.000 0.338 154 Y C 0.587 176.474 175.900 -0.021 0.000 1.220 154 Y CA -1.102 57.002 58.100 0.007 0.000 1.430 154 Y CB 0.503 38.949 38.460 -0.024 0.000 1.311 154 Y HN 0.026 nan 8.280 nan 0.000 0.575 155 R N 3.611 124.147 120.500 0.060 0.000 2.522 155 R HA 0.178 4.518 4.340 -0.000 0.000 0.284 155 R C -0.337 176.021 176.300 0.096 0.000 1.032 155 R CA 0.084 56.114 56.100 -0.116 0.000 1.049 155 R CB 0.331 30.388 30.300 -0.405 0.000 0.956 155 R HN 0.762 nan 8.270 nan 0.000 0.422 156 R N 1.171 121.737 120.500 0.111 0.000 2.720 156 R HA 0.459 4.799 4.340 -0.000 0.000 0.272 156 R C -0.349 176.087 176.300 0.226 0.000 0.991 156 R CA -0.715 55.484 56.100 0.164 0.000 1.010 156 R CB 1.648 31.958 30.300 0.018 0.000 1.141 156 R HN 0.619 nan 8.270 nan 0.000 0.494 157 A N 2.077 125.012 122.820 0.191 0.000 2.332 157 A HA 0.301 4.621 4.320 -0.000 0.000 0.258 157 A C -1.832 175.742 177.584 -0.017 0.000 1.087 157 A CA -1.213 50.899 52.037 0.125 0.000 0.802 157 A CB -0.002 19.112 19.000 0.189 0.000 1.042 157 A HN 0.562 nan 8.150 nan 0.000 0.489 158 P HA 0.041 nan 4.420 nan 0.000 0.255 158 P C 0.721 177.993 177.300 -0.047 0.000 1.248 158 P CA 0.340 63.421 63.100 -0.031 0.000 0.807 158 P CB 0.317 31.969 31.700 -0.081 0.000 1.150 159 E N 0.186 120.356 120.200 -0.051 0.000 2.110 159 E HA -0.178 4.171 4.350 -0.000 0.000 0.193 159 E C -0.123 176.207 176.600 -0.451 0.000 0.988 159 E CA 1.380 57.646 56.400 -0.224 0.000 0.804 159 E CB -1.328 28.235 29.700 -0.228 0.000 0.745 159 E HN 0.473 nan 8.360 nan 0.000 0.458 160 H N 0.437 119.520 119.070 0.021 0.000 2.792 160 H HA 0.435 4.991 4.556 -0.000 0.000 0.298 160 H C -0.107 175.232 175.328 0.018 0.000 1.042 160 H CA -0.572 55.486 56.048 0.015 0.000 1.300 160 H CB 0.996 30.780 29.762 0.037 0.000 1.431 160 H HN -0.059 nan 8.280 nan 0.000 0.496 161 R N 0.846 121.349 120.500 0.005 0.000 2.541 161 R HA 0.160 4.500 4.340 -0.000 0.000 0.263 161 R C -0.306 175.813 176.300 -0.300 0.000 1.112 161 R CA -1.085 54.927 56.100 -0.148 0.000 1.170 161 R CB 0.776 30.962 30.300 -0.190 0.000 1.167 161 R HN 0.561 nan 8.270 nan 0.000 0.582 162 Y N 2.998 122.718 120.300 -0.967 0.000 3.032 162 Y HA -0.089 4.461 4.550 -0.000 0.000 0.344 162 Y C -1.626 174.053 175.900 -0.368 0.000 1.273 162 Y CA -0.478 57.070 58.100 -0.920 0.000 1.588 162 Y CB 0.474 38.300 38.460 -1.057 0.000 1.209 162 Y HN 0.382 nan 8.280 nan 0.000 0.597 163 P HA 0.199 nan 4.420 nan 0.000 0.274 163 P C 0.565 177.647 177.300 -0.364 0.000 1.673 163 P CA 0.052 62.575 63.100 -0.963 0.000 1.193 163 P CB -0.248 30.838 31.700 -1.023 0.000 1.571 164 C N 0.389 119.565 119.300 -0.206 0.000 2.401 164 C HA -0.122 4.338 4.460 -0.000 0.000 0.276 164 C C 2.932 177.911 174.990 -0.019 0.000 1.233 164 C CA 1.778 60.764 59.018 -0.054 0.000 1.753 164 C CB -1.550 26.212 27.740 0.037 0.000 2.029 164 C HN 0.374 nan 8.230 nan 0.000 0.478 165 A N -0.661 122.135 122.820 -0.041 0.000 1.877 165 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 165 A C 1.880 179.393 177.584 -0.119 0.000 1.186 165 A CA 1.605 53.581 52.037 -0.103 0.000 0.620 165 A CB -1.023 17.811 19.000 -0.277 0.000 0.822 165 A HN 0.721 nan 8.150 nan 0.000 0.443 166 Y N 0.483 120.753 120.300 -0.050 0.000 2.128 166 Y HA -0.277 4.273 4.550 -0.000 0.000 0.284 166 Y C 2.428 178.343 175.900 0.025 0.000 1.154 166 Y CA 0.628 58.692 58.100 -0.060 0.000 1.149 166 Y CB -0.389 38.044 38.460 -0.045 0.000 0.976 166 Y HN 0.289 nan 8.280 nan 0.000 0.505 167 D N 0.392 120.887 120.400 0.159 0.000 2.116 167 D HA -0.179 4.461 4.640 -0.000 0.000 0.193 167 D C 1.540 177.971 176.300 0.218 0.000 0.998 167 D CA 1.657 55.759 54.000 0.171 0.000 0.836 167 D CB -0.483 40.366 40.800 0.083 0.000 0.951 167 D HN 0.398 nan 8.370 nan 0.000 0.449 168 D N 0.024 120.517 120.400 0.155 0.000 2.117 168 D HA -0.084 4.556 4.640 -0.000 0.000 0.197 168 D C 2.188 178.637 176.300 0.248 0.000 0.987 168 D CA 1.314 55.416 54.000 0.169 0.000 0.829 168 D CB -0.669 40.226 40.800 0.158 0.000 0.961 168 D HN 0.285 nan 8.370 nan 0.000 0.460 169 G N 0.060 109.015 108.800 0.259 0.000 2.408 169 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 169 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 169 G C 1.482 176.620 174.900 0.397 0.000 1.150 169 G CA 0.371 45.709 45.100 0.398 0.000 0.776 169 G HN 0.322 nan 8.290 nan 0.000 0.542 170 W N 1.620 123.012 121.300 0.153 0.000 2.379 170 W HA -0.152 4.508 4.660 -0.000 0.000 0.307 170 W C 2.258 178.866 176.519 0.149 0.000 1.200 170 W CA 1.747 59.172 57.345 0.133 0.000 1.297 170 W CB -0.448 29.066 29.460 0.089 0.000 1.140 170 W HN 0.229 nan 8.180 nan 0.000 0.507 171 T N 1.561 116.193 114.554 0.130 0.000 2.665 171 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 171 T C 2.012 176.746 174.700 0.056 0.000 1.035 171 T CA 2.397 64.521 62.100 0.040 0.000 1.151 171 T CB -0.862 68.068 68.868 0.103 0.000 0.862 171 T HN 0.271 nan 8.240 nan 0.000 0.438 172 A N 1.266 124.165 122.820 0.132 0.000 1.883 172 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 172 A C 2.251 179.942 177.584 0.179 0.000 1.186 172 A CA 1.437 53.582 52.037 0.181 0.000 0.624 172 A CB -0.909 18.220 19.000 0.215 0.000 0.822 172 A HN 0.381 nan 8.150 nan 0.000 0.444 173 L N 0.476 121.741 121.223 0.072 0.000 1.970 173 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 173 L C 2.537 179.308 176.870 -0.165 0.000 1.071 173 L CA 2.777 57.589 54.840 -0.047 0.000 0.751 173 L CB -0.868 41.119 42.059 -0.120 0.000 0.889 173 L HN 0.266 nan 8.230 nan 0.000 0.432 174 K N -1.512 118.667 120.400 -0.369 0.000 2.147 174 K HA -0.242 4.078 4.320 -0.000 0.000 0.205 174 K C 1.695 178.236 176.600 -0.099 0.000 1.049 174 K CA 1.391 57.479 56.287 -0.332 0.000 0.936 174 K CB -1.416 30.810 32.500 -0.456 0.000 0.722 174 K HN 0.754 nan 8.250 nan 0.000 0.446 175 W N 0.615 121.831 121.300 -0.141 0.000 2.381 175 W HA -0.167 4.493 4.660 -0.000 0.000 0.301 175 W C 1.753 178.249 176.519 -0.039 0.000 1.205 175 W CA 0.970 58.282 57.345 -0.056 0.000 1.285 175 W CB -0.330 29.127 29.460 -0.005 0.000 1.133 175 W HN -0.038 nan 8.180 nan 0.000 0.521 176 V N 1.321 121.250 119.914 0.025 0.000 2.343 176 V HA -0.357 3.763 4.120 -0.000 0.000 0.247 176 V C 2.283 178.214 176.094 -0.272 0.000 1.051 176 V CA 2.381 64.573 62.300 -0.180 0.000 1.036 176 V CB -0.829 31.042 31.823 0.080 0.000 0.654 176 V HN 0.212 nan 8.190 nan 0.000 0.451 177 M N 0.707 120.193 119.600 -0.191 0.000 2.267 177 M HA -0.137 4.342 4.480 -0.000 0.000 0.263 177 M C 2.022 178.196 176.300 -0.209 0.000 1.063 177 M CA 1.954 57.146 55.300 -0.180 0.000 1.090 177 M CB -0.382 32.128 32.600 -0.151 0.000 1.392 177 M HN 0.525 nan 8.290 nan 0.000 0.422 178 S N -1.106 114.431 115.700 -0.271 0.000 2.631 178 S HA 0.089 4.559 4.470 -0.000 0.000 0.217 178 S C 0.348 174.751 174.600 -0.329 0.000 0.958 178 S CA -0.276 57.769 58.200 -0.258 0.000 0.920 178 S CB -0.032 63.036 63.200 -0.219 0.000 0.776 178 S HN 0.259 nan 8.310 nan 0.000 0.517 179 Q N 1.715 121.265 119.800 -0.417 0.000 2.314 179 Q HA 0.402 4.742 4.340 -0.000 0.000 0.259 179 Q C -2.080 173.784 176.000 -0.227 0.000 0.951 179 Q CA -2.588 52.975 55.803 -0.400 0.000 0.909 179 Q CB 1.234 29.614 28.738 -0.596 0.000 1.236 179 Q HN 0.112 nan 8.270 nan 0.000 0.444 180 P HA -0.202 nan 4.420 nan 0.000 0.216 180 P C 1.455 178.718 177.300 -0.061 0.000 1.153 180 P CA 1.999 65.040 63.100 -0.098 0.000 0.858 180 P CB -0.082 31.570 31.700 -0.080 0.000 0.789 181 F N -0.930 118.981 119.950 -0.065 0.000 2.126 181 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 181 F C 2.184 178.064 175.800 0.133 0.000 1.096 181 F CA 1.883 59.886 58.000 0.005 0.000 1.255 181 F CB -1.819 37.152 39.000 -0.047 0.000 0.997 181 F HN -0.123 nan 8.300 nan 0.000 0.479 182 M N 0.632 120.255 119.600 0.040 0.000 2.394 182 M HA 0.070 4.550 4.480 -0.000 0.000 0.264 182 M C 1.648 177.892 176.300 -0.093 0.000 1.073 182 M CA 0.979 56.321 55.300 0.070 0.000 1.111 182 M CB -1.783 30.777 32.600 -0.066 0.000 1.401 182 M HN 0.429 nan 8.290 nan 0.000 0.448 183 R N 1.601 122.047 120.500 -0.090 0.000 2.491 183 R HA 0.407 4.747 4.340 -0.000 0.000 0.283 183 R C 0.509 176.711 176.300 -0.163 0.000 1.072 183 R CA 0.211 56.222 56.100 -0.148 0.000 1.048 183 R CB -0.567 29.674 30.300 -0.098 0.000 0.983 183 R HN 0.526 nan 8.270 nan 0.000 0.450 189 Q N 0.408 120.145 119.800 -0.105 0.000 2.668 189 Q HA 0.942 5.282 4.340 -0.000 0.000 0.298 189 Q C 0.072 175.968 176.000 -0.173 0.000 1.071 189 Q CA -0.424 55.306 55.803 -0.121 0.000 0.789 189 Q CB 1.128 29.804 28.738 -0.104 0.000 1.497 189 Q HN 2.654 nan 8.270 nan 0.000 0.460 190 A N 0.237 122.955 122.820 -0.170 0.000 2.451 190 A HA 0.593 4.913 4.320 -0.000 0.000 0.266 190 A C 0.673 178.141 177.584 -0.194 0.000 1.119 190 A CA 0.466 52.381 52.037 -0.204 0.000 0.786 190 A CB -0.759 18.148 19.000 -0.154 0.000 1.061 190 A HN 1.691 nan 8.150 nan 0.000 0.503 191 R N 2.974 123.330 120.500 -0.241 0.000 2.419 191 R HA 0.509 4.849 4.340 -0.000 0.000 0.305 191 R C -0.545 175.690 176.300 -0.108 0.000 1.242 191 R CA -0.181 55.807 56.100 -0.185 0.000 1.105 191 R CB -0.426 29.779 30.300 -0.158 0.000 1.116 191 R HN 0.728 nan 8.270 nan 0.000 0.523 192 V N 3.238 123.049 119.914 -0.172 0.000 2.439 192 V HA 0.617 4.737 4.120 -0.000 0.000 0.282 192 V C -0.487 175.485 176.094 -0.203 0.000 1.039 192 V CA -0.711 61.547 62.300 -0.070 0.000 0.913 192 V CB 1.096 32.893 31.823 -0.045 0.000 0.983 192 V HN 0.698 nan 8.190 nan 0.000 0.460 193 F N 4.359 124.329 119.950 0.034 0.000 2.495 193 F HA 0.610 5.137 4.527 -0.000 0.000 0.327 193 F C -0.017 175.842 175.800 0.098 0.000 1.103 193 F CA -0.667 57.374 58.000 0.068 0.000 0.949 193 F CB 1.666 40.713 39.000 0.078 0.000 1.142 193 F HN 0.195 nan 8.300 nan 0.000 0.457 194 L N 2.743 124.129 121.223 0.271 0.000 2.275 194 L HA 0.583 4.923 4.340 -0.000 0.000 0.288 194 L C -0.035 177.003 176.870 0.281 0.000 1.046 194 L CA -0.335 54.671 54.840 0.276 0.000 0.805 194 L CB 1.571 43.794 42.059 0.273 0.000 1.193 194 L HN 0.591 nan 8.230 nan 0.000 0.426 195 S N 1.624 117.500 115.700 0.293 0.000 2.569 195 S HA 0.952 5.422 4.470 -0.000 0.000 0.280 195 S C -0.661 174.095 174.600 0.261 0.000 1.111 195 S CA -0.241 58.133 58.200 0.289 0.000 0.887 195 S CB 2.064 65.473 63.200 0.349 0.000 1.095 195 S HN 0.853 nan 8.310 nan 0.000 0.476 196 G N 2.243 111.143 108.800 0.167 0.000 2.519 196 G HA2 0.454 4.414 3.960 -0.000 0.000 0.292 196 G HA3 0.454 4.414 3.960 -0.000 0.000 0.292 196 G C -2.167 172.702 174.900 -0.051 0.000 1.507 196 G CA -0.658 44.391 45.100 -0.086 0.000 0.806 196 G HN 0.748 nan 8.290 nan 0.000 0.523 197 D N -0.352 119.992 120.400 -0.093 0.000 2.272 197 D HA 0.720 5.359 4.640 -0.000 0.000 0.247 197 D C 0.892 177.102 176.300 -0.150 0.000 0.990 197 D CA 0.422 54.363 54.000 -0.099 0.000 0.931 197 D CB 1.640 42.420 40.800 -0.033 0.000 1.195 197 D HN 1.254 nan 8.370 nan 0.000 0.477 198 S N 1.517 117.141 115.700 -0.126 0.000 3.938 198 S HA -0.360 4.109 4.470 -0.000 0.000 0.624 198 S C 1.649 175.998 174.600 -0.418 0.000 2.186 198 S CA 2.971 61.044 58.200 -0.211 0.000 4.144 198 S CB -1.916 61.194 63.200 -0.150 0.000 0.230 198 S HN 1.308 nan 8.310 nan 0.000 0.755 199 S N 1.333 116.652 115.700 -0.635 0.000 2.402 199 S HA -0.003 4.467 4.470 -0.000 0.000 0.233 199 S C 2.144 176.228 174.600 -0.861 0.000 1.030 199 S CA 2.012 59.521 58.200 -1.150 0.000 1.003 199 S CB -1.667 60.433 63.200 -1.833 0.000 0.813 199 S HN 1.716 nan 8.310 nan 0.000 0.477 200 G N 1.034 109.480 108.800 -0.590 0.000 2.443 200 G HA2 0.198 4.158 3.960 -0.000 0.000 0.219 200 G HA3 0.198 4.158 3.960 -0.000 0.000 0.219 200 G C 1.323 176.038 174.900 -0.309 0.000 1.131 200 G CA 0.491 45.300 45.100 -0.486 0.000 0.775 200 G HN 0.650 nan 8.290 nan 0.000 0.547 201 G N 0.943 109.573 108.800 -0.283 0.000 2.404 201 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.215 201 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.215 201 G C 1.719 176.518 174.900 -0.168 0.000 1.174 201 G CA 1.041 46.030 45.100 -0.185 0.000 0.780 201 G HN 0.430 nan 8.290 nan 0.000 0.537 202 N N 1.055 119.588 118.700 -0.279 0.000 2.043 202 N HA -0.123 4.616 4.740 -0.000 0.000 0.193 202 N C 2.369 178.040 175.510 0.268 0.000 1.037 202 N CA 1.480 54.528 53.050 -0.005 0.000 0.851 202 N CB -0.295 38.266 38.487 0.124 0.000 1.027 202 N HN 0.388 nan 8.380 nan 0.000 0.422 203 I N 1.342 121.927 120.570 0.024 0.000 2.163 203 I HA -0.292 3.878 4.170 -0.000 0.000 0.243 203 I C 2.587 178.563 176.117 -0.235 0.000 1.085 203 I CA 1.295 62.529 61.300 -0.111 0.000 1.347 203 I CB -0.534 36.969 38.000 -0.828 0.000 1.044 203 I HN 0.148 nan 8.210 nan 0.000 0.408 204 A N 0.505 123.208 122.820 -0.195 0.000 1.884 204 A HA -0.372 3.948 4.320 -0.000 0.000 0.219 204 A C 2.209 179.875 177.584 0.137 0.000 1.197 204 A CA 2.618 54.700 52.037 0.074 0.000 0.637 204 A CB -1.236 17.882 19.000 0.197 0.000 0.827 204 A HN 0.620 nan 8.150 nan 0.000 0.450 205 H N -0.542 118.579 119.070 0.085 0.000 2.265 205 H HA -0.214 4.341 4.556 -0.000 0.000 0.295 205 H C 2.000 177.328 175.328 -0.001 0.000 1.084 205 H CA 2.466 58.593 56.048 0.132 0.000 1.261 205 H CB -0.475 29.360 29.762 0.121 0.000 1.360 205 H HN 0.669 nan 8.280 nan 0.000 0.487 206 H N -0.859 118.025 119.070 -0.311 0.000 2.423 206 H HA -0.059 4.497 4.556 -0.000 0.000 0.297 206 H C 2.592 177.747 175.328 -0.288 0.000 1.075 206 H CA 1.329 57.062 56.048 -0.524 0.000 1.342 206 H CB -0.166 29.039 29.762 -0.928 0.000 1.395 206 H HN 0.292 nan 8.280 nan 0.000 0.530 207 V N 1.312 121.212 119.914 -0.024 0.000 2.407 207 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 207 V C 2.832 179.027 176.094 0.168 0.000 1.055 207 V CA 1.390 63.770 62.300 0.134 0.000 1.049 207 V CB -0.921 31.023 31.823 0.201 0.000 0.662 207 V HN 0.449 nan 8.190 nan 0.000 0.455 208 A N -0.077 122.815 122.820 0.120 0.000 1.877 208 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 208 A C 2.402 180.122 177.584 0.226 0.000 1.186 208 A CA 2.137 54.272 52.037 0.164 0.000 0.620 208 A CB -0.670 18.437 19.000 0.178 0.000 0.822 208 A HN 0.331 nan 8.150 nan 0.000 0.443 209 V N 0.030 120.003 119.914 0.099 0.000 2.261 209 V HA -0.273 3.846 4.120 -0.000 0.000 0.246 209 V C 2.633 178.700 176.094 -0.045 0.000 1.047 209 V CA 2.341 64.625 62.300 -0.027 0.000 1.015 209 V CB -0.863 30.795 31.823 -0.275 0.000 0.642 209 V HN 0.687 nan 8.190 nan 0.000 0.446 210 R N 0.275 120.706 120.500 -0.115 0.000 2.119 210 R HA -0.237 4.103 4.340 -0.000 0.000 0.246 210 R C 2.231 178.442 176.300 -0.149 0.000 1.146 210 R CA 1.903 57.843 56.100 -0.267 0.000 0.962 210 R CB -0.507 29.482 30.300 -0.518 0.000 0.863 210 R HN 0.511 nan 8.270 nan 0.000 0.442 211 A N 0.471 123.384 122.820 0.155 0.000 1.877 211 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 211 A C 2.376 180.059 177.584 0.164 0.000 1.186 211 A CA 1.681 53.906 52.037 0.313 0.000 0.620 211 A CB -0.910 18.270 19.000 0.299 0.000 0.822 211 A HN 0.557 nan 8.150 nan 0.000 0.443 212 A N 0.231 123.130 122.820 0.131 0.000 1.851 212 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 212 A C 1.811 179.433 177.584 0.065 0.000 1.195 212 A CA 2.023 54.129 52.037 0.115 0.000 0.622 212 A CB -0.819 18.285 19.000 0.174 0.000 0.831 212 A HN 0.464 nan 8.150 nan 0.000 0.444 213 D N -0.347 120.064 120.400 0.018 0.000 2.126 213 D HA -0.099 4.541 4.640 -0.000 0.000 0.190 213 D C 1.982 178.284 176.300 0.003 0.000 1.001 213 D CA 2.101 56.092 54.000 -0.014 0.000 0.841 213 D CB -0.542 40.215 40.800 -0.072 0.000 0.949 213 D HN 0.648 nan 8.370 nan 0.000 0.446 214 E N 0.129 120.338 120.200 0.015 0.000 2.512 214 E HA 0.302 4.652 4.350 -0.000 0.000 0.195 214 E C 1.438 178.101 176.600 0.104 0.000 1.083 214 E CA 0.767 57.211 56.400 0.072 0.000 0.873 214 E CB -1.086 28.701 29.700 0.145 0.000 0.897 214 E HN 0.393 nan 8.360 nan 0.000 0.514 215 G N -0.349 108.501 108.800 0.083 0.000 2.273 215 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.280 215 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.280 215 G C 0.369 175.315 174.900 0.077 0.000 1.047 215 G CA 0.357 45.499 45.100 0.070 0.000 0.869 215 G HN 0.901 nan 8.290 nan 0.000 0.502 216 V N -0.229 119.752 119.914 0.112 0.000 2.439 216 V HA 0.776 4.896 4.120 -0.000 0.000 0.282 216 V C 0.747 176.870 176.094 0.048 0.000 1.039 216 V CA -0.067 62.290 62.300 0.095 0.000 0.913 216 V CB 1.420 33.345 31.823 0.171 0.000 0.983 216 V HN 0.788 nan 8.190 nan 0.000 0.460 217 K N 3.913 124.310 120.400 -0.005 0.000 2.284 217 K HA 0.617 4.937 4.320 -0.000 0.000 0.287 217 K C -0.689 175.854 176.600 -0.096 0.000 1.081 217 K CA -0.322 55.935 56.287 -0.050 0.000 0.910 217 K CB 0.981 33.441 32.500 -0.068 0.000 1.088 217 K HN 0.564 nan 8.250 nan 0.000 0.478 218 V N 2.818 122.660 119.914 -0.120 0.000 2.347 218 V HA 0.060 4.180 4.120 -0.000 0.000 0.280 218 V C 1.341 177.246 176.094 -0.316 0.000 1.021 218 V CA -1.057 61.129 62.300 -0.191 0.000 0.847 218 V CB 0.592 32.334 31.823 -0.135 0.000 0.990 218 V HN 1.029 nan 8.190 nan 0.000 0.444 219 C N 3.519 122.503 119.300 -0.527 0.000 2.410 219 C HA 0.279 4.738 4.460 -0.000 0.000 0.281 219 C C 1.377 175.947 174.990 -0.700 0.000 1.318 219 C CA 0.817 59.392 59.018 -0.739 0.000 1.776 219 C CB -1.388 25.636 27.740 -1.192 0.000 1.942 219 C HN 1.098 nan 8.230 nan 0.000 0.508 220 G N -0.810 107.656 108.800 -0.557 0.000 2.355 220 G HA2 0.378 4.338 3.960 -0.000 0.000 0.296 220 G HA3 0.378 4.338 3.960 -0.000 0.000 0.296 220 G C -2.109 172.972 174.900 0.302 0.000 1.507 220 G CA -0.575 44.587 45.100 0.104 0.000 0.823 220 G HN 0.049 nan 8.290 nan 0.000 0.569 221 N N -0.287 118.598 118.700 0.308 0.000 2.372 221 N HA 0.630 5.370 4.740 -0.000 0.000 0.285 221 N C -0.730 174.828 175.510 0.079 0.000 1.008 221 N CA -0.428 52.733 53.050 0.184 0.000 0.880 221 N CB 1.845 40.386 38.487 0.090 0.000 1.239 221 N HN 0.453 nan 8.380 nan 0.000 0.484 222 I N 2.791 123.409 120.570 0.079 0.000 2.354 222 I HA 0.342 4.512 4.170 -0.000 0.000 0.286 222 I C -0.508 175.609 176.117 0.001 0.000 1.007 222 I CA -0.428 60.825 61.300 -0.077 0.000 1.167 222 I CB 1.036 38.960 38.000 -0.126 0.000 1.320 222 I HN 0.168 nan 8.210 nan 0.000 0.458 223 L N 7.483 128.692 121.223 -0.023 0.000 2.319 223 L HA 0.546 4.886 4.340 -0.000 0.000 0.281 223 L C -0.944 175.904 176.870 -0.037 0.000 1.005 223 L CA -0.710 54.131 54.840 0.001 0.000 0.828 223 L CB 1.640 43.730 42.059 0.052 0.000 1.227 223 L HN 0.455 nan 8.230 nan 0.000 0.415 224 L N 4.473 125.641 121.223 -0.092 0.000 2.276 224 L HA 0.399 4.739 4.340 -0.000 0.000 0.286 224 L C 0.184 177.009 176.870 -0.076 0.000 1.024 224 L CA -0.383 54.360 54.840 -0.162 0.000 0.826 224 L CB 0.904 42.638 42.059 -0.542 0.000 1.211 224 L HN 0.508 nan 8.230 nan 0.000 0.422 225 N N 1.977 120.709 118.700 0.053 0.000 2.699 225 N HA -0.212 4.527 4.740 -0.000 0.000 0.256 225 N C 0.172 175.665 175.510 -0.028 0.000 0.993 225 N CA 0.960 54.062 53.050 0.086 0.000 0.759 225 N CB -0.632 37.968 38.487 0.188 0.000 0.906 225 N HN 0.805 nan 8.380 nan 0.000 0.541 226 A N 0.238 123.001 122.820 -0.096 0.000 2.587 226 A HA 0.108 4.428 4.320 -0.000 0.000 0.233 226 A C 0.964 178.295 177.584 -0.422 0.000 1.049 226 A CA 0.253 52.099 52.037 -0.318 0.000 0.754 226 A CB 0.274 19.040 19.000 -0.391 0.000 0.977 226 A HN 0.484 nan 8.150 nan 0.000 0.509 227 M N 2.912 122.179 119.600 -0.555 0.000 2.063 227 M HA 0.577 5.057 4.480 -0.000 0.000 0.348 227 M C -1.742 174.402 176.300 -0.261 0.000 1.180 227 M CA 0.187 55.311 55.300 -0.294 0.000 1.059 227 M CB -0.251 32.171 32.600 -0.297 0.000 1.544 227 M HN 0.628 nan 8.290 nan 0.000 0.447 228 F N 2.045 122.272 119.950 0.462 0.000 2.599 228 F HA 0.839 5.366 4.527 -0.000 0.000 0.311 228 F C 0.405 176.445 175.800 0.401 0.000 1.076 228 F CA -0.794 57.459 58.000 0.422 0.000 0.937 228 F CB 2.315 41.411 39.000 0.160 0.000 1.282 228 F HN 0.584 nan 8.300 nan 0.000 0.460 229 G N -0.284 108.653 108.800 0.228 0.000 2.827 229 G HA2 0.748 4.708 3.960 -0.000 0.000 0.296 229 G HA3 0.748 4.708 3.960 -0.000 0.000 0.296 229 G C -1.335 173.490 174.900 -0.126 0.000 1.362 229 G CA -0.520 44.580 45.100 -0.001 0.000 0.809 229 G HN 1.015 nan 8.290 nan 0.000 0.522 230 G N -2.381 106.345 108.800 -0.123 0.000 2.550 230 G HA2 0.552 4.512 3.960 -0.000 0.000 0.293 230 G HA3 0.552 4.512 3.960 -0.000 0.000 0.293 230 G C 0.765 175.623 174.900 -0.069 0.000 1.402 230 G CA 1.032 46.072 45.100 -0.099 0.000 0.784 230 G HN 1.206 nan 8.290 nan 0.000 0.482 231 T N -2.517 112.008 114.554 -0.049 0.000 2.821 231 T HA 0.303 4.653 4.350 -0.000 0.000 0.267 231 T C 1.200 175.906 174.700 0.009 0.000 1.046 231 T CA 2.194 64.281 62.100 -0.021 0.000 1.139 231 T CB -0.566 68.289 68.868 -0.021 0.000 0.871 231 T HN 1.191 nan 8.240 nan 0.000 0.454 232 E N 1.830 122.038 120.200 0.015 0.000 2.318 232 E HA 0.550 4.900 4.350 -0.000 0.000 0.265 232 E C -0.060 176.570 176.600 0.049 0.000 1.069 232 E CA -0.999 55.419 56.400 0.030 0.000 0.893 232 E CB 0.396 30.111 29.700 0.025 0.000 1.076 232 E HN 0.216 nan 8.360 nan 0.000 0.414 233 R N 0.728 121.262 120.500 0.057 0.000 2.441 233 R HA 0.396 4.736 4.340 -0.000 0.000 0.284 233 R C 0.613 176.954 176.300 0.069 0.000 1.070 233 R CA -0.063 56.081 56.100 0.073 0.000 1.047 233 R CB 0.862 31.206 30.300 0.073 0.000 1.016 233 R HN 0.873 nan 8.270 nan 0.000 0.477 234 T N -2.562 112.042 114.554 0.083 0.000 2.862 234 T HA 0.150 4.500 4.350 -0.000 0.000 0.276 234 T C 1.048 175.794 174.700 0.076 0.000 0.974 234 T CA -0.714 61.432 62.100 0.078 0.000 0.966 234 T CB 1.421 70.343 68.868 0.089 0.000 1.072 234 T HN 0.514 nan 8.240 nan 0.000 0.538 235 E N 0.139 120.379 120.200 0.068 0.000 2.208 235 E HA -0.127 4.222 4.350 -0.000 0.000 0.193 235 E C 2.174 178.819 176.600 0.075 0.000 0.988 235 E CA 1.399 57.838 56.400 0.065 0.000 0.828 235 E CB -0.234 29.498 29.700 0.054 0.000 0.763 235 E HN 0.793 nan 8.360 nan 0.000 0.478 236 S N 0.372 116.123 115.700 0.085 0.000 2.368 236 S HA -0.124 4.346 4.470 -0.000 0.000 0.224 236 S C 1.829 176.495 174.600 0.110 0.000 1.029 236 S CA 0.926 59.185 58.200 0.097 0.000 0.988 236 S CB -0.322 62.939 63.200 0.103 0.000 0.838 236 S HN 0.245 nan 8.310 nan 0.000 0.462 237 E N 1.460 121.730 120.200 0.116 0.000 2.049 237 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 237 E C 2.834 179.500 176.600 0.109 0.000 1.007 237 E CA 1.756 58.232 56.400 0.126 0.000 0.809 237 E CB -0.417 29.363 29.700 0.134 0.000 0.749 237 E HN 0.763 nan 8.360 nan 0.000 0.450 238 R N 1.394 121.949 120.500 0.092 0.000 2.115 238 R HA -0.035 4.305 4.340 -0.000 0.000 0.226 238 R C 1.946 178.289 176.300 0.072 0.000 1.100 238 R CA 1.648 57.795 56.100 0.078 0.000 0.980 238 R CB -0.913 29.427 30.300 0.066 0.000 0.875 238 R HN 0.093 nan 8.270 nan 0.000 0.445 239 R N -0.300 120.246 120.500 0.076 0.000 2.075 239 R HA 0.173 4.513 4.340 -0.000 0.000 0.226 239 R C 1.704 178.054 176.300 0.082 0.000 1.114 239 R CA 1.200 57.344 56.100 0.073 0.000 0.972 239 R CB -0.115 30.230 30.300 0.075 0.000 0.869 239 R HN 0.437 nan 8.270 nan 0.000 0.437 240 L N 0.904 122.191 121.223 0.106 0.000 2.607 240 L HA 0.125 4.465 4.340 -0.000 0.000 0.228 240 L C -0.029 176.907 176.870 0.111 0.000 1.123 240 L CA -0.390 54.530 54.840 0.134 0.000 0.890 240 L CB 0.086 42.258 42.059 0.188 0.000 1.103 240 L HN 0.146 nan 8.230 nan 0.000 0.468 241 D N 0.785 121.241 120.400 0.094 0.000 2.472 241 D HA 0.197 4.837 4.640 -0.000 0.000 0.248 241 D C 1.385 177.714 176.300 0.049 0.000 1.174 241 D CA 1.322 55.375 54.000 0.088 0.000 0.883 241 D CB 0.609 41.463 40.800 0.090 0.000 1.149 241 D HN 0.280 nan 8.370 nan 0.000 0.488 242 G N 2.519 111.348 108.800 0.049 0.000 2.184 242 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.264 242 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.264 242 G C 1.337 176.188 174.900 -0.082 0.000 0.975 242 G CA 0.535 45.641 45.100 0.009 0.000 0.642 242 G HN 0.522 nan 8.290 nan 0.000 0.536 243 K N -1.304 119.007 120.400 -0.148 0.000 2.262 243 K HA 0.331 4.651 4.320 -0.000 0.000 0.200 243 K C 0.558 176.679 176.600 -0.798 0.000 1.049 243 K CA 1.117 57.140 56.287 -0.440 0.000 0.979 243 K CB 0.049 32.275 32.500 -0.456 0.000 0.773 243 K HN 0.635 nan 8.250 nan 0.000 0.474 244 Y N -0.263 119.955 120.300 -0.138 0.000 2.490 244 Y HA 0.341 4.890 4.550 -0.000 0.000 0.346 244 Y C 0.075 175.818 175.900 -0.262 0.000 1.023 244 Y CA -1.203 56.688 58.100 -0.348 0.000 1.142 244 Y CB -0.040 38.340 38.460 -0.133 0.000 1.126 244 Y HN 0.057 nan 8.280 nan 0.000 0.647 245 F N -2.563 117.447 119.950 0.100 0.000 2.563 245 F HA -0.373 4.154 4.527 -0.000 0.000 0.667 245 F C 0.375 176.208 175.800 0.054 0.000 0.490 245 F CA 0.623 58.639 58.000 0.027 0.000 0.776 245 F CB -1.205 37.787 39.000 -0.014 0.000 1.646 245 F HN -0.032 nan 8.300 nan 0.000 0.262 246 V N 1.400 121.470 119.914 0.260 0.000 2.607 246 V HA 0.558 4.678 4.120 -0.000 0.000 0.289 246 V C 0.448 176.643 176.094 0.169 0.000 1.053 246 V CA 0.209 62.636 62.300 0.211 0.000 0.996 246 V CB 1.489 33.438 31.823 0.211 0.000 0.995 246 V HN 0.376 nan 8.190 nan 0.000 0.476 247 T N 1.186 115.845 114.554 0.175 0.000 2.907 247 T HA 0.595 4.945 4.350 -0.000 0.000 0.292 247 T C 0.718 175.528 174.700 0.183 0.000 1.043 247 T CA -0.764 61.429 62.100 0.155 0.000 1.003 247 T CB 1.536 70.484 68.868 0.133 0.000 1.084 247 T HN 0.266 nan 8.240 nan 0.000 0.483 248 L N 0.877 122.201 121.223 0.167 0.000 2.083 248 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 248 L C 3.172 180.165 176.870 0.205 0.000 1.083 248 L CA 1.305 56.258 54.840 0.188 0.000 0.752 248 L CB -0.551 41.602 42.059 0.157 0.000 0.899 248 L HN 0.802 nan 8.230 nan 0.000 0.433 249 Q N 0.350 120.255 119.800 0.175 0.000 2.062 249 Q HA -0.307 4.033 4.340 -0.000 0.000 0.209 249 Q C 1.837 177.974 176.000 0.229 0.000 0.996 249 Q CA 2.456 58.367 55.803 0.180 0.000 0.859 249 Q CB -0.308 28.512 28.738 0.137 0.000 0.920 249 Q HN 0.751 nan 8.270 nan 0.000 0.415 250 D N -0.396 120.141 120.400 0.228 0.000 2.117 250 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 250 D C 1.776 178.334 176.300 0.431 0.000 0.982 250 D CA 0.756 54.926 54.000 0.283 0.000 0.828 250 D CB -0.140 40.851 40.800 0.318 0.000 0.967 250 D HN -0.018 nan 8.370 nan 0.000 0.464 251 R N 0.815 121.545 120.500 0.384 0.000 2.094 251 R HA -0.128 4.212 4.340 -0.000 0.000 0.239 251 R C 1.759 178.316 176.300 0.429 0.000 1.137 251 R CA 1.614 57.944 56.100 0.383 0.000 0.943 251 R CB -1.102 29.408 30.300 0.349 0.000 0.850 251 R HN 0.386 nan 8.270 nan 0.000 0.433 252 D N -0.514 120.121 120.400 0.392 0.000 2.123 252 D HA -0.196 4.444 4.640 -0.000 0.000 0.196 252 D C 1.710 178.188 176.300 0.297 0.000 0.992 252 D CA 0.863 55.076 54.000 0.356 0.000 0.833 252 D CB -0.474 40.476 40.800 0.250 0.000 0.954 252 D HN 0.296 nan 8.370 nan 0.000 0.455 253 W N 0.446 121.791 121.300 0.074 0.000 2.335 253 W HA -0.266 4.394 4.660 -0.000 0.000 0.311 253 W C 2.116 178.565 176.519 -0.117 0.000 1.213 253 W CA 1.547 58.846 57.345 -0.077 0.000 1.274 253 W CB -0.549 28.772 29.460 -0.232 0.000 1.148 253 W HN 0.029 nan 8.180 nan 0.000 0.498 254 Y N -1.819 118.716 120.300 0.391 0.000 2.263 254 Y HA -0.190 4.360 4.550 -0.000 0.000 0.292 254 Y C 2.217 178.136 175.900 0.031 0.000 1.130 254 Y CA 1.624 59.841 58.100 0.195 0.000 1.179 254 Y CB -1.094 37.424 38.460 0.096 0.000 0.998 254 Y HN -0.060 nan 8.280 nan 0.000 0.532 255 W N 0.583 122.036 121.300 0.254 0.000 2.354 255 W HA -0.206 4.454 4.660 -0.000 0.000 0.315 255 W C 2.575 179.073 176.519 -0.035 0.000 1.206 255 W CA 1.130 58.545 57.345 0.117 0.000 1.290 255 W CB -0.279 29.253 29.460 0.121 0.000 1.152 255 W HN -0.135 nan 8.180 nan 0.000 0.489 256 K N 0.356 120.841 120.400 0.143 0.000 2.160 256 K HA -0.235 4.085 4.320 -0.000 0.000 0.206 256 K C 2.033 178.510 176.600 -0.205 0.000 1.047 256 K CA 1.581 57.818 56.287 -0.083 0.000 0.930 256 K CB -0.317 32.074 32.500 -0.181 0.000 0.720 256 K HN 0.144 nan 8.250 nan 0.000 0.450 257 A N -0.276 122.376 122.820 -0.279 0.000 1.968 257 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 257 A C 1.915 179.443 177.584 -0.095 0.000 1.169 257 A CA 1.109 52.963 52.037 -0.304 0.000 0.638 257 A CB -0.489 18.255 19.000 -0.427 0.000 0.812 257 A HN 0.546 nan 8.150 nan 0.000 0.446 258 Y N -0.092 120.110 120.300 -0.165 0.000 2.389 258 Y HA 0.376 4.926 4.550 -0.000 0.000 0.292 258 Y C 0.590 176.353 175.900 -0.228 0.000 1.117 258 Y CA -0.404 57.553 58.100 -0.238 0.000 1.195 258 Y CB -0.084 38.051 38.460 -0.542 0.000 1.076 258 Y HN 0.107 nan 8.280 nan 0.000 0.548 259 L N 2.813 123.853 121.223 -0.306 0.000 2.439 259 L HA 0.225 4.565 4.340 -0.000 0.000 0.269 259 L C -2.003 174.647 176.870 -0.367 0.000 1.179 259 L CA -2.019 52.539 54.840 -0.469 0.000 0.828 259 L CB 0.085 41.961 42.059 -0.305 0.000 1.106 259 L HN 0.016 nan 8.230 nan 0.000 0.467 260 P HA -0.034 nan 4.420 nan 0.000 0.266 260 P C 0.116 177.326 177.300 -0.149 0.000 1.193 260 P CA 0.107 63.089 63.100 -0.197 0.000 0.770 260 P CB 0.522 32.151 31.700 -0.118 0.000 0.836 261 E N 1.205 121.339 120.200 -0.110 0.000 2.153 261 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 261 E C 1.869 178.425 176.600 -0.073 0.000 0.988 261 E CA 1.827 58.171 56.400 -0.094 0.000 0.811 261 E CB -0.294 29.358 29.700 -0.080 0.000 0.746 261 E HN 0.674 nan 8.360 nan 0.000 0.466 262 D N 0.620 120.985 120.400 -0.059 0.000 2.234 262 D HA 0.208 4.848 4.640 -0.000 0.000 0.205 262 D C 0.999 177.276 176.300 -0.040 0.000 0.962 262 D CA 0.795 54.770 54.000 -0.042 0.000 0.855 262 D CB -0.194 40.589 40.800 -0.029 0.000 0.951 262 D HN 0.285 nan 8.370 nan 0.000 0.500 263 A N 0.811 123.601 122.820 -0.050 0.000 2.366 263 A HA 0.521 4.841 4.320 -0.000 0.000 0.250 263 A C 0.392 177.947 177.584 -0.047 0.000 1.099 263 A CA 0.509 52.527 52.037 -0.031 0.000 0.794 263 A CB 0.422 19.398 19.000 -0.040 0.000 1.056 263 A HN 0.553 nan 8.150 nan 0.000 0.499 264 D N -1.428 118.950 120.400 -0.036 0.000 2.758 264 D HA 0.282 4.922 4.640 -0.000 0.000 0.262 264 D C 0.306 176.560 176.300 -0.077 0.000 1.113 264 D CA -0.664 53.307 54.000 -0.048 0.000 1.114 264 D CB 0.421 41.199 40.800 -0.038 0.000 1.363 264 D HN 0.375 nan 8.370 nan 0.000 0.617 265 R N -0.824 119.613 120.500 -0.105 0.000 2.313 265 R HA 0.085 4.425 4.340 -0.000 0.000 0.199 265 R C -0.206 175.976 176.300 -0.197 0.000 0.958 265 R CA 0.312 56.282 56.100 -0.217 0.000 1.047 265 R CB 0.073 30.222 30.300 -0.250 0.000 0.955 265 R HN 0.353 nan 8.270 nan 0.000 0.481 266 D N -0.386 119.948 120.400 -0.110 0.000 2.342 266 D HA -0.036 4.604 4.640 -0.000 0.000 0.221 266 D C 0.146 176.394 176.300 -0.087 0.000 1.101 266 D CA 0.185 54.129 54.000 -0.093 0.000 0.837 266 D CB -0.127 40.631 40.800 -0.071 0.000 0.938 266 D HN 0.156 nan 8.370 nan 0.000 0.508 267 H N 2.452 121.407 119.070 -0.191 0.000 3.034 267 H HA -0.015 4.540 4.556 -0.000 0.000 0.324 267 H C -1.366 173.849 175.328 -0.189 0.000 1.015 267 H CA -0.813 55.106 56.048 -0.214 0.000 1.429 267 H CB 1.533 31.126 29.762 -0.283 0.000 1.429 267 H HN -0.095 nan 8.280 nan 0.000 0.585 268 P HA -0.169 nan 4.420 nan 0.000 0.218 268 P C 1.142 178.533 177.300 0.151 0.000 1.146 268 P CA 1.729 64.776 63.100 -0.087 0.000 0.813 268 P CB -0.032 31.562 31.700 -0.177 0.000 0.778 269 A N -0.483 122.504 122.820 0.278 0.000 1.940 269 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 269 A C 2.594 180.408 177.584 0.382 0.000 1.176 269 A CA 2.070 54.252 52.037 0.242 0.000 0.631 269 A CB -1.735 17.305 19.000 0.067 0.000 0.814 269 A HN 0.390 nan 8.150 nan 0.000 0.446 270 C N -1.274 118.095 119.300 0.114 0.000 2.524 270 C HA 0.234 4.693 4.460 -0.000 0.000 0.284 270 C C 0.871 175.826 174.990 -0.058 0.000 1.346 270 C CA 0.693 59.559 59.018 -0.253 0.000 1.739 270 C CB -0.701 26.525 27.740 -0.856 0.000 2.119 270 C HN 0.543 nan 8.230 nan 0.000 0.501 271 N N 0.587 119.262 118.700 -0.041 0.000 2.696 271 N HA 0.361 5.101 4.740 -0.000 0.000 0.246 271 N C -2.172 173.313 175.510 -0.042 0.000 1.057 271 N CA -1.623 51.412 53.050 -0.025 0.000 0.867 271 N CB 1.494 39.940 38.487 -0.068 0.000 1.141 271 N HN 0.339 nan 8.380 nan 0.000 0.517 272 P HA 0.142 nan 4.420 nan 0.000 0.240 272 P C 0.035 176.984 177.300 -0.585 0.000 1.190 272 P CA 0.462 63.390 63.100 -0.288 0.000 0.781 272 P CB 0.094 31.582 31.700 -0.353 0.000 0.931 273 F N -0.556 119.347 119.950 -0.078 0.000 2.764 273 F HA 0.441 4.968 4.527 -0.000 0.000 0.310 273 F C 1.555 177.313 175.800 -0.071 0.000 1.124 273 F CA -0.680 57.267 58.000 -0.090 0.000 1.252 273 F CB 0.073 38.994 39.000 -0.131 0.000 1.010 273 F HN -0.164 nan 8.300 nan 0.000 0.518 274 G N 0.392 109.217 108.800 0.043 0.000 2.532 274 G HA2 0.300 4.260 3.960 -0.000 0.000 0.291 274 G HA3 0.300 4.260 3.960 -0.000 0.000 0.291 274 G C -1.501 173.393 174.900 -0.010 0.000 1.349 274 G CA -1.139 43.969 45.100 0.014 0.000 1.038 274 G HN -0.111 nan 8.290 nan 0.000 0.518 275 P HA -0.154 nan 4.420 nan 0.000 0.219 275 P C 0.884 178.154 177.300 -0.050 0.000 1.153 275 P CA 1.486 64.567 63.100 -0.032 0.000 0.865 275 P CB 0.088 31.766 31.700 -0.036 0.000 0.788 276 N N -2.062 116.593 118.700 -0.075 0.000 2.230 276 N HA 0.194 4.934 4.740 -0.000 0.000 0.202 276 N C 0.626 176.068 175.510 -0.112 0.000 1.119 276 N CA 0.177 53.163 53.050 -0.107 0.000 0.851 276 N CB 0.107 38.499 38.487 -0.158 0.000 0.990 276 N HN 0.044 nan 8.380 nan 0.000 0.497 277 G N 0.835 109.583 108.800 -0.086 0.000 2.370 277 G HA2 0.327 4.287 3.960 -0.000 0.000 0.317 277 G HA3 0.327 4.287 3.960 -0.000 0.000 0.317 277 G C 0.080 174.934 174.900 -0.076 0.000 1.162 277 G CA -0.794 44.240 45.100 -0.109 0.000 0.922 277 G HN 0.231 nan 8.290 nan 0.000 0.454 278 R N 1.991 122.435 120.500 -0.093 0.000 2.811 278 R HA 0.268 4.607 4.340 -0.000 0.000 0.265 278 R C -0.524 175.771 176.300 -0.008 0.000 1.026 278 R CA -0.187 55.879 56.100 -0.056 0.000 1.142 278 R CB 0.691 30.948 30.300 -0.072 0.000 1.027 278 R HN 0.234 nan 8.270 nan 0.000 0.465 279 R N 1.387 121.912 120.500 0.042 0.000 2.643 279 R HA 0.275 4.615 4.340 -0.000 0.000 0.272 279 R C 0.191 176.526 176.300 0.058 0.000 0.995 279 R CA -0.989 55.178 56.100 0.112 0.000 1.032 279 R CB 0.960 31.302 30.300 0.070 0.000 1.126 279 R HN 0.577 nan 8.270 nan 0.000 0.505 280 L N 0.629 121.907 121.223 0.092 0.000 2.910 280 L HA 0.284 4.624 4.340 -0.000 0.000 0.252 280 L C 1.054 178.017 176.870 0.156 0.000 1.195 280 L CA -0.041 54.837 54.840 0.065 0.000 1.003 280 L CB -0.059 41.967 42.059 -0.056 0.000 1.328 280 L HN 0.733 nan 8.230 nan 0.000 0.540 281 G N -0.475 108.358 108.800 0.055 0.000 2.287 281 G HA2 0.299 4.259 3.960 -0.000 0.000 0.235 281 G HA3 0.299 4.259 3.960 -0.000 0.000 0.235 281 G C 1.208 176.126 174.900 0.029 0.000 1.258 281 G CA 0.538 45.629 45.100 -0.015 0.000 0.884 281 G HN 0.565 nan 8.290 nan 0.000 0.518 282 G N 1.025 109.838 108.800 0.021 0.000 2.234 282 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 282 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 282 G C 0.579 175.544 174.900 0.108 0.000 0.987 282 G CA 0.506 45.636 45.100 0.050 0.000 0.625 282 G HN 0.804 nan 8.290 nan 0.000 0.532 283 L N 2.044 123.372 121.223 0.175 0.000 2.417 283 L HA 0.369 4.709 4.340 -0.000 0.000 0.268 283 L C -1.276 175.735 176.870 0.235 0.000 1.158 283 L CA -1.612 53.330 54.840 0.169 0.000 0.819 283 L CB 0.627 42.762 42.059 0.128 0.000 1.112 283 L HN -0.026 nan 8.230 nan 0.000 0.458 284 P HA 0.039 nan 4.420 nan 0.000 0.220 284 P C -0.446 176.937 177.300 0.138 0.000 1.806 284 P CA -0.023 63.161 63.100 0.141 0.000 0.976 284 P CB -0.437 31.311 31.700 0.080 0.000 1.952 285 F N 1.974 121.865 119.950 -0.097 0.000 2.518 285 F HA 0.333 4.859 4.527 -0.000 0.000 0.359 285 F C 0.970 176.691 175.800 -0.132 0.000 1.118 285 F CA -0.745 57.099 58.000 -0.258 0.000 1.287 285 F CB 0.875 39.384 39.000 -0.818 0.000 1.132 285 F HN 0.226 nan 8.300 nan 0.000 0.587 286 A N 4.593 127.030 122.820 -0.639 0.000 2.555 286 A HA 0.360 4.680 4.320 -0.000 0.000 0.233 286 A C 0.161 177.530 177.584 -0.359 0.000 1.060 286 A CA 0.037 51.786 52.037 -0.481 0.000 0.759 286 A CB -0.302 18.404 19.000 -0.490 0.000 0.995 286 A HN 1.014 nan 8.150 nan 0.000 0.506 287 K N 1.119 121.470 120.400 -0.081 0.000 2.258 287 K HA 0.526 4.846 4.320 -0.000 0.000 0.264 287 K C 0.090 176.834 176.600 0.240 0.000 1.007 287 K CA 0.344 56.699 56.287 0.113 0.000 0.941 287 K CB 0.242 32.841 32.500 0.165 0.000 0.966 287 K HN 0.900 nan 8.250 nan 0.000 0.480 288 S N 0.387 116.228 115.700 0.235 0.000 2.502 288 S HA 0.546 5.016 4.470 -0.000 0.000 0.304 288 S C -1.152 173.385 174.600 -0.105 0.000 1.097 288 S CA -0.616 57.651 58.200 0.111 0.000 1.045 288 S CB 1.033 64.328 63.200 0.158 0.000 1.019 288 S HN 0.643 nan 8.310 nan 0.000 0.481 289 L N 4.991 125.868 121.223 -0.576 0.000 2.276 289 L HA 0.703 5.042 4.340 -0.000 0.000 0.286 289 L C -0.899 175.822 176.870 -0.250 0.000 1.024 289 L CA -0.587 53.891 54.840 -0.602 0.000 0.826 289 L CB 0.555 41.875 42.059 -1.231 0.000 1.211 289 L HN 0.681 nan 8.230 nan 0.000 0.422 290 I N 4.102 124.628 120.570 -0.073 0.000 2.382 290 I HA 0.611 4.781 4.170 -0.000 0.000 0.286 290 I C -1.190 174.947 176.117 0.034 0.000 1.002 290 I CA -0.257 61.062 61.300 0.032 0.000 1.135 290 I CB 1.220 39.321 38.000 0.169 0.000 1.288 290 I HN 0.500 nan 8.210 nan 0.000 0.448 291 I N 7.132 127.722 120.570 0.033 0.000 2.336 291 I HA 0.498 4.668 4.170 -0.000 0.000 0.292 291 I C -0.667 175.523 176.117 0.122 0.000 0.991 291 I CA -0.771 60.574 61.300 0.074 0.000 1.227 291 I CB 1.844 39.895 38.000 0.085 0.000 1.366 291 I HN 0.388 nan 8.210 nan 0.000 0.466 292 V N 5.009 124.989 119.914 0.110 0.000 2.443 292 V HA 0.288 4.408 4.120 -0.000 0.000 0.293 292 V C -0.099 176.029 176.094 0.058 0.000 1.021 292 V CA -0.639 61.725 62.300 0.107 0.000 0.848 292 V CB 1.729 33.603 31.823 0.085 0.000 0.998 292 V HN 0.721 nan 8.190 nan 0.000 0.424 293 S N 3.415 119.182 115.700 0.112 0.000 2.505 293 S HA 0.250 4.719 4.470 -0.000 0.000 0.276 293 S C 1.436 176.029 174.600 -0.012 0.000 1.274 293 S CA 0.248 58.455 58.200 0.012 0.000 1.053 293 S CB 1.440 64.730 63.200 0.149 0.000 0.919 293 S HN 1.030 nan 8.310 nan 0.000 0.490 294 G N 2.451 111.197 108.800 -0.090 0.000 2.448 294 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.219 294 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.219 294 G C 0.755 175.640 174.900 -0.025 0.000 1.127 294 G CA 0.466 45.538 45.100 -0.047 0.000 0.766 294 G HN 0.672 nan 8.290 nan 0.000 0.552 295 L N 0.607 121.789 121.223 -0.067 0.000 2.741 295 L HA 0.254 4.594 4.340 -0.000 0.000 0.237 295 L C 0.051 176.965 176.870 0.074 0.000 1.178 295 L CA -0.418 54.376 54.840 -0.076 0.000 0.973 295 L CB 0.249 42.029 42.059 -0.464 0.000 1.255 295 L HN -0.011 nan 8.230 nan 0.000 0.498 296 D N 1.695 122.156 120.400 0.102 0.000 2.316 296 D HA 0.085 4.725 4.640 -0.000 0.000 0.245 296 D C 1.321 177.713 176.300 0.154 0.000 1.171 296 D CA -0.306 53.786 54.000 0.153 0.000 0.856 296 D CB 1.493 42.388 40.800 0.158 0.000 1.090 296 D HN 0.206 nan 8.370 nan 0.000 0.476 297 L N 2.417 123.744 121.223 0.173 0.000 2.265 297 L HA -0.060 4.280 4.340 -0.000 0.000 0.215 297 L C 1.393 178.360 176.870 0.163 0.000 1.117 297 L CA 1.534 56.473 54.840 0.165 0.000 0.782 297 L CB -0.927 41.233 42.059 0.168 0.000 0.914 297 L HN 0.390 nan 8.230 nan 0.000 0.441 298 T N -3.292 111.368 114.554 0.176 0.000 3.219 298 T HA 0.053 4.403 4.350 -0.000 0.000 0.249 298 T C 1.799 176.607 174.700 0.181 0.000 1.099 298 T CA 0.180 62.396 62.100 0.194 0.000 0.988 298 T CB -1.135 67.872 68.868 0.233 0.000 0.999 298 T HN 0.678 nan 8.240 nan 0.000 0.550 299 C N 0.744 120.135 119.300 0.151 0.000 2.413 299 C HA -0.088 4.372 4.460 -0.000 0.000 0.276 299 C C 2.205 177.277 174.990 0.136 0.000 1.236 299 C CA 0.792 59.892 59.018 0.136 0.000 1.735 299 C CB -1.286 26.515 27.740 0.103 0.000 2.031 299 C HN 0.422 nan 8.230 nan 0.000 0.474 300 D N 1.282 121.755 120.400 0.121 0.000 2.191 300 D HA -0.183 4.457 4.640 -0.000 0.000 0.190 300 D C 2.407 178.784 176.300 0.128 0.000 1.007 300 D CA 1.807 55.872 54.000 0.108 0.000 0.865 300 D CB -0.486 40.372 40.800 0.098 0.000 0.929 300 D HN 0.650 nan 8.370 nan 0.000 0.447 301 R N 0.157 120.757 120.500 0.167 0.000 2.092 301 R HA -0.064 4.276 4.340 -0.000 0.000 0.231 301 R C 2.412 178.862 176.300 0.249 0.000 1.119 301 R CA 0.916 57.137 56.100 0.202 0.000 0.970 301 R CB -0.275 30.183 30.300 0.263 0.000 0.864 301 R HN 0.403 nan 8.270 nan 0.000 0.440 302 Q N 0.653 120.616 119.800 0.273 0.000 2.119 302 Q HA -0.066 4.274 4.340 -0.000 0.000 0.201 302 Q C 2.278 178.432 176.000 0.257 0.000 0.972 302 Q CA 1.059 57.050 55.803 0.314 0.000 0.847 302 Q CB -0.070 28.817 28.738 0.248 0.000 0.903 302 Q HN 0.327 nan 8.270 nan 0.000 0.433 303 L N 0.295 121.620 121.223 0.170 0.000 1.994 303 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 303 L C 2.581 179.499 176.870 0.079 0.000 1.071 303 L CA 1.085 55.993 54.840 0.113 0.000 0.745 303 L CB -0.688 41.419 42.059 0.080 0.000 0.892 303 L HN 0.203 nan 8.230 nan 0.000 0.431 304 A N -0.614 122.251 122.820 0.074 0.000 1.948 304 A HA -0.315 4.005 4.320 -0.000 0.000 0.220 304 A C 2.225 179.785 177.584 -0.040 0.000 1.177 304 A CA 1.910 53.956 52.037 0.014 0.000 0.636 304 A CB -1.038 17.983 19.000 0.035 0.000 0.815 304 A HN 0.542 nan 8.150 nan 0.000 0.449 305 Y N 0.565 120.807 120.300 -0.096 0.000 2.181 305 Y HA -0.108 4.442 4.550 -0.000 0.000 0.288 305 Y C 2.559 178.363 175.900 -0.160 0.000 1.146 305 Y CA 1.345 59.345 58.100 -0.167 0.000 1.164 305 Y CB -0.450 37.858 38.460 -0.254 0.000 0.982 305 Y HN 0.319 nan 8.280 nan 0.000 0.515 306 A N 0.399 123.194 122.820 -0.042 0.000 1.855 306 A HA -0.182 4.138 4.320 -0.000 0.000 0.215 306 A C 1.934 179.402 177.584 -0.194 0.000 1.191 306 A CA 1.892 53.874 52.037 -0.092 0.000 0.613 306 A CB -0.973 18.061 19.000 0.056 0.000 0.829 306 A HN 0.539 nan 8.150 nan 0.000 0.442 307 D N 0.414 120.719 120.400 -0.159 0.000 2.133 307 D HA -0.173 4.466 4.640 -0.000 0.000 0.192 307 D C 2.186 178.301 176.300 -0.308 0.000 1.001 307 D CA 1.832 55.724 54.000 -0.179 0.000 0.844 307 D CB -0.666 40.056 40.800 -0.129 0.000 0.944 307 D HN 0.440 nan 8.370 nan 0.000 0.447 308 A N 0.636 123.151 122.820 -0.510 0.000 1.917 308 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 308 A C 2.424 179.550 177.584 -0.763 0.000 1.182 308 A CA 1.189 52.722 52.037 -0.841 0.000 0.633 308 A CB -0.856 17.127 19.000 -1.694 0.000 0.819 308 A HN 0.256 nan 8.150 nan 0.000 0.448 309 L N -1.618 119.216 121.223 -0.648 0.000 2.201 309 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 309 L C 2.814 179.621 176.870 -0.105 0.000 1.105 309 L CA 1.163 55.843 54.840 -0.267 0.000 0.775 309 L CB -0.417 41.550 42.059 -0.152 0.000 0.913 309 L HN 0.351 nan 8.230 nan 0.000 0.440 310 R N 0.241 120.650 120.500 -0.151 0.000 2.066 310 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 310 R C 2.197 178.417 176.300 -0.133 0.000 1.131 310 R CA 1.494 57.534 56.100 -0.100 0.000 0.955 310 R CB -0.117 30.131 30.300 -0.088 0.000 0.851 310 R HN 0.368 nan 8.270 nan 0.000 0.432 311 E N 0.094 120.188 120.200 -0.178 0.000 2.150 311 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 311 E C 0.867 177.365 176.600 -0.170 0.000 0.985 311 E CA 1.094 57.395 56.400 -0.165 0.000 0.814 311 E CB 0.082 29.675 29.700 -0.179 0.000 0.752 311 E HN 0.288 nan 8.360 nan 0.000 0.466 312 D N -0.679 119.602 120.400 -0.199 0.000 2.349 312 D HA 0.063 4.703 4.640 -0.000 0.000 0.224 312 D C 0.742 176.803 176.300 -0.399 0.000 1.029 312 D CA 0.760 54.636 54.000 -0.208 0.000 0.879 312 D CB 0.445 41.190 40.800 -0.091 0.000 0.906 312 D HN 0.262 nan 8.370 nan 0.000 0.528 313 G N 0.880 109.492 108.800 -0.313 0.000 2.171 313 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.238 313 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.238 313 G C -0.029 174.664 174.900 -0.344 0.000 1.039 313 G CA -0.336 44.587 45.100 -0.295 0.000 0.759 313 G HN 0.378 nan 8.290 nan 0.000 0.501 314 H N -0.789 118.303 119.070 0.037 0.000 2.595 314 H HA 0.674 5.230 4.556 -0.000 0.000 0.346 314 H C 0.733 176.109 175.328 0.080 0.000 1.181 314 H CA 0.273 56.383 56.048 0.103 0.000 1.242 314 H CB 0.670 30.574 29.762 0.237 0.000 1.652 314 H HN 0.642 nan 8.280 nan 0.000 0.548 315 H N 0.001 119.211 119.070 0.235 0.000 2.620 315 H HA 0.570 5.126 4.556 -0.000 0.000 0.313 315 H C -0.477 174.954 175.328 0.172 0.000 1.075 315 H CA -0.615 55.529 56.048 0.159 0.000 1.397 315 H CB 0.341 30.185 29.762 0.137 0.000 1.446 315 H HN 0.339 nan 8.280 nan 0.000 0.493 316 V N 3.865 123.858 119.914 0.131 0.000 2.623 316 V HA 0.366 4.486 4.120 -0.000 0.000 0.304 316 V C -0.101 176.049 176.094 0.094 0.000 1.054 316 V CA -1.054 61.313 62.300 0.112 0.000 0.882 316 V CB 1.760 33.625 31.823 0.069 0.000 1.002 316 V HN 0.942 nan 8.190 nan 0.000 0.424 317 K N 3.836 124.287 120.400 0.085 0.000 2.358 317 K HA 0.732 5.052 4.320 -0.000 0.000 0.260 317 K C -1.454 175.162 176.600 0.027 0.000 0.956 317 K CA -0.444 55.881 56.287 0.062 0.000 0.834 317 K CB 1.956 34.510 32.500 0.091 0.000 1.102 317 K HN 0.490 nan 8.250 nan 0.000 0.431 318 V N 4.646 124.582 119.914 0.037 0.000 2.427 318 V HA 0.308 4.428 4.120 -0.000 0.000 0.286 318 V C -0.449 175.662 176.094 0.028 0.000 1.034 318 V CA -0.811 61.511 62.300 0.037 0.000 0.893 318 V CB 1.645 33.496 31.823 0.046 0.000 0.982 318 V HN 0.491 nan 8.190 nan 0.000 0.452 319 V N 5.607 125.535 119.914 0.023 0.000 2.350 319 V HA 0.388 4.508 4.120 -0.000 0.000 0.285 319 V C -0.147 175.946 176.094 -0.001 0.000 1.014 319 V CA -0.600 61.711 62.300 0.018 0.000 0.831 319 V CB 1.364 33.203 31.823 0.026 0.000 1.000 319 V HN 0.892 nan 8.190 nan 0.000 0.433 320 Q N 3.307 123.093 119.800 -0.024 0.000 2.314 320 Q HA 0.418 4.758 4.340 -0.000 0.000 0.259 320 Q C -0.993 174.898 176.000 -0.182 0.000 0.951 320 Q CA -0.452 55.313 55.803 -0.063 0.000 0.909 320 Q CB 1.815 30.537 28.738 -0.026 0.000 1.236 320 Q HN 0.776 nan 8.270 nan 0.000 0.444 321 C N 3.772 122.857 119.300 -0.357 0.000 2.242 321 C HA 0.162 4.622 4.460 -0.000 0.000 0.317 321 C C 1.103 175.737 174.990 -0.594 0.000 1.087 321 C CA -0.718 57.744 59.018 -0.927 0.000 1.535 321 C CB -0.731 26.201 27.740 -1.347 0.000 1.893 321 C HN 0.902 nan 8.230 nan 0.000 0.426 322 E N 1.258 121.328 120.200 -0.216 0.000 2.070 322 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 322 E C 1.385 177.983 176.600 -0.004 0.000 1.004 322 E CA 1.426 57.810 56.400 -0.027 0.000 0.805 322 E CB -0.048 29.688 29.700 0.059 0.000 0.744 322 E HN 0.563 nan 8.360 nan 0.000 0.451 323 N N 0.144 118.949 118.700 0.175 0.000 2.322 323 N HA 0.161 4.901 4.740 -0.000 0.000 0.194 323 N C -0.558 174.953 175.510 0.001 0.000 1.126 323 N CA 0.440 53.533 53.050 0.071 0.000 0.845 323 N CB 0.521 39.040 38.487 0.052 0.000 0.976 323 N HN 0.107 nan 8.380 nan 0.000 0.475 324 A N 0.693 123.444 122.820 -0.116 0.000 2.301 324 A HA 0.497 4.817 4.320 -0.000 0.000 0.312 324 A C 0.841 178.349 177.584 -0.126 0.000 1.182 324 A CA -0.514 51.378 52.037 -0.241 0.000 0.826 324 A CB 0.507 18.952 19.000 -0.924 0.000 1.134 324 A HN 0.209 nan 8.150 nan 0.000 0.501 325 T N -0.611 113.961 114.554 0.030 0.000 2.810 325 T HA 0.538 4.888 4.350 -0.000 0.000 0.277 325 T C 0.618 175.467 174.700 0.249 0.000 0.973 325 T CA -0.066 62.114 62.100 0.133 0.000 0.949 325 T CB 0.289 69.348 68.868 0.319 0.000 1.075 325 T HN 1.654 nan 8.240 nan 0.000 0.537 326 V N -0.954 119.109 119.914 0.249 0.000 3.061 326 V HA 0.459 4.579 4.120 -0.000 0.000 0.306 326 V C 1.686 177.797 176.094 0.027 0.000 1.118 326 V CA 0.264 62.678 62.300 0.189 0.000 1.231 326 V CB -0.667 31.235 31.823 0.132 0.000 0.956 326 V HN 1.862 nan 8.190 nan 0.000 0.499 327 G N 3.024 111.681 108.800 -0.239 0.000 2.205 327 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.261 327 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.261 327 G C 0.380 174.810 174.900 -0.782 0.000 0.980 327 G CA 1.033 45.708 45.100 -0.709 0.000 0.632 327 G HN 2.036 nan 8.290 nan 0.000 0.533 328 F N 1.319 121.016 119.950 -0.420 0.000 2.236 328 F HA -0.070 4.457 4.527 -0.000 0.000 0.302 328 F C 2.159 177.888 175.800 -0.118 0.000 1.073 328 F CA 1.494 59.388 58.000 -0.176 0.000 1.336 328 F CB -0.917 38.098 39.000 0.025 0.000 1.040 328 F HN 0.434 nan 8.300 nan 0.000 0.507 329 Y N -0.196 119.562 120.300 -0.904 0.000 2.632 329 Y HA 0.275 4.825 4.550 -0.000 0.000 0.301 329 Y C 1.346 177.149 175.900 -0.162 0.000 1.172 329 Y CA -0.064 57.698 58.100 -0.565 0.000 1.328 329 Y CB -1.305 36.733 38.460 -0.702 0.000 1.016 329 Y HN 0.222 nan 8.280 nan 0.000 0.529 330 L N -0.041 120.932 121.223 -0.416 0.000 2.477 330 L HA 0.211 4.551 4.340 -0.000 0.000 0.220 330 L C -0.525 176.194 176.870 -0.251 0.000 1.106 330 L CA 0.096 54.756 54.840 -0.299 0.000 0.851 330 L CB 0.147 41.943 42.059 -0.437 0.000 0.994 330 L HN 0.148 nan 8.230 nan 0.000 0.462 331 L N -0.221 120.836 121.223 -0.276 0.000 2.410 331 L HA 0.409 4.749 4.340 -0.000 0.000 0.270 331 L C -2.435 174.016 176.870 -0.698 0.000 0.983 331 L CA -1.330 53.273 54.840 -0.394 0.000 0.822 331 L CB 1.327 43.186 42.059 -0.333 0.000 1.285 331 L HN -0.289 nan 8.230 nan 0.000 0.409 332 P HA 0.163 nan 4.420 nan 0.000 0.220 332 P C -0.622 176.318 177.300 -0.601 0.000 1.806 332 P CA -0.031 62.211 63.100 -1.429 0.000 0.976 332 P CB -0.132 31.047 31.700 -0.868 0.000 1.952 333 N N -0.107 118.363 118.700 -0.383 0.000 2.232 333 N HA 0.052 4.792 4.740 -0.000 0.000 0.240 333 N C -0.440 175.079 175.510 0.015 0.000 1.307 333 N CA -0.300 52.689 53.050 -0.103 0.000 0.859 333 N CB 0.143 38.590 38.487 -0.067 0.000 1.260 333 N HN 0.119 nan 8.380 nan 0.000 0.501 334 T N -4.238 110.348 114.554 0.054 0.000 2.864 334 T HA 0.453 4.803 4.350 -0.000 0.000 0.299 334 T C 0.833 175.669 174.700 0.227 0.000 1.166 334 T CA -0.514 61.663 62.100 0.129 0.000 1.007 334 T CB 1.381 70.332 68.868 0.137 0.000 1.219 334 T HN -0.251 nan 8.240 nan 0.000 0.506 335 V N 0.893 120.898 119.914 0.151 0.000 2.343 335 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 335 V C 2.646 178.867 176.094 0.211 0.000 1.051 335 V CA 1.788 64.194 62.300 0.177 0.000 1.036 335 V CB -1.163 30.651 31.823 -0.014 0.000 0.654 335 V HN 0.889 nan 8.190 nan 0.000 0.451 336 H N -1.095 118.058 119.070 0.139 0.000 2.353 336 H HA -0.230 4.326 4.556 -0.000 0.000 0.298 336 H C 2.126 177.661 175.328 0.344 0.000 1.103 336 H CA 2.140 58.248 56.048 0.101 0.000 1.293 336 H CB -0.647 28.978 29.762 -0.229 0.000 1.372 336 H HN 0.628 nan 8.280 nan 0.000 0.501 337 Y N 1.413 121.950 120.300 0.396 0.000 2.114 337 Y HA -0.299 4.251 4.550 -0.000 0.000 0.282 337 Y C 2.695 178.634 175.900 0.066 0.000 1.165 337 Y CA 1.936 60.172 58.100 0.226 0.000 1.148 337 Y CB -0.296 38.128 38.460 -0.059 0.000 0.972 337 Y HN 0.269 nan 8.280 nan 0.000 0.504 338 H N 0.162 119.432 119.070 0.335 0.000 2.357 338 H HA -0.109 4.447 4.556 -0.000 0.000 0.301 338 H C 2.063 177.441 175.328 0.082 0.000 1.082 338 H CA 1.739 57.886 56.048 0.167 0.000 1.342 338 H CB -0.304 29.584 29.762 0.209 0.000 1.389 338 H HN 0.582 nan 8.280 nan 0.000 0.511 339 E N 0.348 120.697 120.200 0.248 0.000 2.070 339 E HA -0.125 4.225 4.350 -0.000 0.000 0.197 339 E C 2.399 179.074 176.600 0.124 0.000 1.004 339 E CA 1.271 57.780 56.400 0.181 0.000 0.805 339 E CB 0.038 29.868 29.700 0.217 0.000 0.744 339 E HN 0.124 nan 8.360 nan 0.000 0.451 340 V N 1.028 121.023 119.914 0.134 0.000 2.379 340 V HA -0.222 3.898 4.120 -0.000 0.000 0.245 340 V C 2.210 178.290 176.094 -0.023 0.000 1.044 340 V CA 1.178 63.532 62.300 0.090 0.000 1.036 340 V CB -0.259 31.692 31.823 0.213 0.000 0.664 340 V HN 0.317 nan 8.190 nan 0.000 0.453 341 M N -0.335 119.193 119.600 -0.121 0.000 2.159 341 M HA -0.190 4.290 4.480 -0.000 0.000 0.263 341 M C 2.122 178.394 176.300 -0.047 0.000 1.063 341 M CA 1.681 56.901 55.300 -0.135 0.000 1.110 341 M CB -1.203 31.247 32.600 -0.251 0.000 1.374 341 M HN 0.509 nan 8.290 nan 0.000 0.411 342 E N 0.323 120.524 120.200 0.002 0.000 2.051 342 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 342 E C 1.865 178.476 176.600 0.019 0.000 0.991 342 E CA 1.124 57.539 56.400 0.024 0.000 0.799 342 E CB 0.189 29.921 29.700 0.053 0.000 0.748 342 E HN 0.356 nan 8.360 nan 0.000 0.449 343 E N 0.539 120.755 120.200 0.026 0.000 2.070 343 E HA -0.222 4.128 4.350 -0.000 0.000 0.197 343 E C 2.274 178.887 176.600 0.021 0.000 1.004 343 E CA 1.227 57.647 56.400 0.033 0.000 0.805 343 E CB -0.318 29.398 29.700 0.028 0.000 0.744 343 E HN 0.463 nan 8.360 nan 0.000 0.451 344 I N 0.728 121.272 120.570 -0.042 0.000 2.226 344 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 344 I C 2.731 178.801 176.117 -0.079 0.000 1.100 344 I CA 1.018 62.256 61.300 -0.102 0.000 1.374 344 I CB -0.304 37.551 38.000 -0.243 0.000 1.057 344 I HN 0.030 nan 8.210 nan 0.000 0.413 345 S N 0.546 116.205 115.700 -0.069 0.000 2.359 345 S HA -0.228 4.242 4.470 -0.000 0.000 0.224 345 S C 1.720 176.303 174.600 -0.028 0.000 1.035 345 S CA 1.915 60.079 58.200 -0.061 0.000 1.018 345 S CB -0.297 62.883 63.200 -0.032 0.000 0.876 345 S HN 0.376 nan 8.310 nan 0.000 0.448 346 D N 0.288 120.698 120.400 0.016 0.000 2.104 346 D HA -0.089 4.551 4.640 -0.000 0.000 0.194 346 D C 1.566 177.901 176.300 0.058 0.000 0.994 346 D CA 1.020 55.042 54.000 0.038 0.000 0.830 346 D CB -0.584 40.252 40.800 0.061 0.000 0.959 346 D HN 0.495 nan 8.370 nan 0.000 0.452 347 F N 1.207 121.121 119.950 -0.060 0.000 2.102 347 F HA -0.142 4.384 4.527 -0.000 0.000 0.298 347 F C 2.165 177.922 175.800 -0.071 0.000 1.105 347 F CA 1.159 59.134 58.000 -0.042 0.000 1.239 347 F CB -0.299 38.673 39.000 -0.047 0.000 0.991 347 F HN -0.114 nan 8.300 nan 0.000 0.474 348 L N 0.388 121.506 121.223 -0.175 0.000 2.017 348 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 348 L C 2.752 179.498 176.870 -0.206 0.000 1.073 348 L CA 1.734 56.298 54.840 -0.461 0.000 0.745 348 L CB -1.887 39.868 42.059 -0.508 0.000 0.894 348 L HN 0.390 nan 8.230 nan 0.000 0.432 349 N N 0.451 119.079 118.700 -0.120 0.000 2.043 349 N HA -0.161 4.579 4.740 -0.000 0.000 0.193 349 N C 1.972 177.449 175.510 -0.056 0.000 1.037 349 N CA 1.637 54.652 53.050 -0.059 0.000 0.851 349 N CB -0.869 37.598 38.487 -0.034 0.000 1.027 349 N HN 0.420 nan 8.380 nan 0.000 0.422 350 A N -0.425 122.346 122.820 -0.082 0.000 2.225 350 A HA -0.026 4.294 4.320 -0.000 0.000 0.215 350 A C 1.308 178.821 177.584 -0.119 0.000 1.164 350 A CA 1.295 53.281 52.037 -0.085 0.000 0.710 350 A CB -0.081 18.877 19.000 -0.070 0.000 0.780 350 A HN 0.618 nan 8.150 nan 0.000 0.473 351 N N -1.254 117.369 118.700 -0.128 0.000 2.184 351 N HA 0.158 4.898 4.740 -0.000 0.000 0.234 351 N C -0.186 175.330 175.510 0.011 0.000 1.282 351 N CA -0.287 52.697 53.050 -0.111 0.000 0.877 351 N CB 0.532 38.855 38.487 -0.273 0.000 1.184 351 N HN 0.372 nan 8.380 nan 0.000 0.510 352 L N 0.000 121.256 121.223 0.055 0.000 2.949 352 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 352 L CA 0.000 54.888 54.840 0.080 0.000 0.813 352 L CB 0.000 42.100 42.059 0.068 0.000 0.961 352 L HN 0.000 nan 8.230 nan 0.000 0.502