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 1g3n_1_G DATA FIRST_RESID 16 DATA SEQUENCE LCEDRIFYNI LEIEPRFLTS DSVFGTFQQS LTSHMRKLLG TWMFSVCQEY DATA SEQUENCE NLEPNVVALA LNLLDRLLLI KQVSKEHFQK TGSACLLVAS KLRSLTPIST DATA SEQUENCE SSLCYAAADS FSRQELIDQE KELLEKLAWR TEAVLATDVT SFLLLKLVGG DATA SEQUENCE SQHLDFWHHE VNTLITKALV DPLTGSLPAS IISAAGCALL VPANVIPQXX DATA SEQUENCE XXXGVVPQLA SILGCDVSVL QAAVEQILTS VSDFDLRI 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 16 L HA 0.000 nan 4.340 nan 0.000 0.249 16 L C 0.000 176.905 176.870 0.058 0.000 1.165 16 L CA 0.000 54.871 54.840 0.052 0.000 0.813 16 L CB 0.000 42.083 42.059 0.040 0.000 0.961 17 C N 0.588 119.922 119.300 0.056 0.000 2.418 17 C HA -0.160 4.300 4.460 -0.000 0.000 0.280 17 C C 2.539 177.566 174.990 0.061 0.000 1.223 17 C CA 1.935 60.984 59.018 0.052 0.000 1.736 17 C CB -0.012 27.757 27.740 0.048 0.000 2.056 17 C HN 0.625 nan 8.230 nan 0.000 0.459 18 E N 1.127 121.382 120.200 0.091 0.000 2.045 18 E HA -0.236 4.114 4.350 -0.000 0.000 0.212 18 E C 1.505 178.117 176.600 0.021 0.000 1.039 18 E CA 2.311 58.774 56.400 0.105 0.000 0.860 18 E CB -1.229 28.644 29.700 0.288 0.000 0.776 18 E HN 0.699 nan 8.360 nan 0.000 0.467 19 D N -0.144 120.341 120.400 0.143 0.000 2.220 19 D HA -0.179 4.461 4.640 -0.000 0.000 0.198 19 D C 1.947 178.321 176.300 0.125 0.000 1.001 19 D CA 1.177 55.266 54.000 0.149 0.000 0.875 19 D CB -0.008 40.904 40.800 0.187 0.000 0.921 19 D HN -0.026 nan 8.370 nan 0.000 0.454 20 R N -0.098 120.457 120.500 0.092 0.000 2.093 20 R HA 0.109 4.449 4.340 -0.000 0.000 0.224 20 R C 2.350 178.719 176.300 0.114 0.000 1.101 20 R CA 0.316 56.486 56.100 0.116 0.000 0.979 20 R CB -0.469 29.877 30.300 0.076 0.000 0.877 20 R HN 0.349 nan 8.270 nan 0.000 0.441 21 I N -0.053 120.540 120.570 0.039 0.000 2.142 21 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 21 I C 2.222 178.315 176.117 -0.040 0.000 1.078 21 I CA 1.165 62.463 61.300 -0.003 0.000 1.343 21 I CB -0.536 37.450 38.000 -0.024 0.000 1.046 21 I HN -0.036 nan 8.210 nan 0.000 0.405 22 F N 1.630 121.405 119.950 -0.292 0.000 2.043 22 F HA -0.390 4.137 4.527 -0.000 0.000 0.297 22 F C 2.651 178.362 175.800 -0.147 0.000 1.118 22 F CA 2.096 59.868 58.000 -0.379 0.000 1.202 22 F CB -0.996 37.509 39.000 -0.824 0.000 0.965 22 F HN 0.106 nan 8.300 nan 0.000 0.482 23 Y N 1.731 121.970 120.300 -0.101 0.000 2.102 23 Y HA -0.368 4.182 4.550 0.000 0.000 0.280 23 Y C 2.356 178.150 175.900 -0.176 0.000 1.178 23 Y CA 2.476 60.497 58.100 -0.131 0.000 1.146 23 Y CB -1.028 37.433 38.460 0.002 0.000 0.968 23 Y HN 0.181 nan 8.280 nan 0.000 0.504 24 N N 0.345 118.869 118.700 -0.294 0.000 2.106 24 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 24 N C 1.858 177.185 175.510 -0.304 0.000 1.029 24 N CA 1.679 54.531 53.050 -0.330 0.000 0.848 24 N CB -0.373 38.055 38.487 -0.098 0.000 1.007 24 N HN 0.354 nan 8.380 nan 0.000 0.423 25 I N 1.918 122.334 120.570 -0.256 0.000 2.236 25 I HA -0.234 3.936 4.170 -0.000 0.000 0.249 25 I C 2.296 178.249 176.117 -0.273 0.000 1.102 25 I CA 0.837 62.005 61.300 -0.221 0.000 1.365 25 I CB -1.303 36.569 38.000 -0.213 0.000 1.051 25 I HN 0.131 nan 8.210 nan 0.000 0.420 26 L N 0.313 121.274 121.223 -0.437 0.000 2.079 26 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 26 L C 2.535 179.240 176.870 -0.275 0.000 1.081 26 L CA 1.455 56.055 54.840 -0.401 0.000 0.752 26 L CB -0.549 41.205 42.059 -0.509 0.000 0.896 26 L HN 0.321 nan 8.230 nan 0.000 0.433 27 E N -0.100 119.910 120.200 -0.316 0.000 2.106 27 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 27 E C 2.206 178.730 176.600 -0.126 0.000 0.984 27 E CA 0.840 57.104 56.400 -0.225 0.000 0.806 27 E CB 0.076 29.617 29.700 -0.265 0.000 0.750 27 E HN 0.352 nan 8.360 nan 0.000 0.458 28 I N 1.534 122.052 120.570 -0.087 0.000 2.202 28 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 28 I C 2.295 178.465 176.117 0.089 0.000 1.091 28 I CA 1.142 62.455 61.300 0.022 0.000 1.368 28 I CB -1.226 36.829 38.000 0.091 0.000 1.058 28 I HN 0.177 nan 8.210 nan 0.000 0.410 29 E N 1.014 121.265 120.200 0.085 0.000 2.332 29 E HA -0.274 4.076 4.350 -0.000 0.000 0.243 29 E C -0.654 176.015 176.600 0.115 0.000 1.088 29 E CA 3.039 59.517 56.400 0.129 0.000 1.048 29 E CB -1.041 28.655 29.700 -0.007 0.000 0.911 29 E HN 0.315 nan 8.360 nan 0.000 0.487 30 P HA -0.175 nan 4.420 nan 0.000 0.222 30 P C 0.842 178.057 177.300 -0.142 0.000 1.142 30 P CA 1.221 64.291 63.100 -0.051 0.000 0.788 30 P CB -0.087 31.573 31.700 -0.066 0.000 0.767 31 R N -0.942 119.389 120.500 -0.281 0.000 2.293 31 R HA -0.004 4.336 4.340 -0.000 0.000 0.219 31 R C 1.366 177.057 176.300 -1.015 0.000 1.091 31 R CA 1.051 56.749 56.100 -0.670 0.000 1.004 31 R CB -1.082 28.675 30.300 -0.905 0.000 0.865 31 R HN 0.282 nan 8.270 nan 0.000 0.469 32 F N -1.359 118.576 119.950 -0.026 0.000 2.661 32 F HA 0.249 4.776 4.527 -0.000 0.000 0.306 32 F C 0.093 175.888 175.800 -0.009 0.000 1.094 32 F CA -0.905 57.086 58.000 -0.016 0.000 1.254 32 F CB 0.146 39.137 39.000 -0.014 0.000 1.040 32 F HN -0.193 nan 8.300 nan 0.000 0.562 33 L N 1.588 122.834 121.223 0.038 0.000 2.514 33 L HA 0.141 4.481 4.340 -0.000 0.000 0.280 33 L C 0.850 177.733 176.870 0.023 0.000 1.223 33 L CA 0.298 55.158 54.840 0.033 0.000 0.864 33 L CB 0.211 42.267 42.059 -0.004 0.000 1.118 33 L HN 0.363 nan 8.230 nan 0.000 0.494 34 T N -0.415 114.165 114.554 0.042 0.000 2.724 34 T HA 0.759 5.109 4.350 -0.000 0.000 0.274 34 T C -0.409 174.313 174.700 0.036 0.000 0.984 34 T CA -0.660 61.463 62.100 0.038 0.000 1.024 34 T CB 1.656 70.568 68.868 0.073 0.000 1.320 34 T HN 0.520 nan 8.240 nan 0.000 0.555 35 S N -0.768 114.953 115.700 0.036 0.000 2.649 35 S HA 0.296 4.766 4.470 -0.000 0.000 0.274 35 S C 0.066 174.708 174.600 0.071 0.000 1.176 35 S CA -0.363 57.862 58.200 0.042 0.000 0.988 35 S CB 1.542 64.742 63.200 -0.000 0.000 1.071 35 S HN 0.912 nan 8.310 nan 0.000 0.478 36 D N 3.273 123.772 120.400 0.164 0.000 2.190 36 D HA -0.150 4.490 4.640 -0.000 0.000 0.200 36 D C 1.932 178.395 176.300 0.273 0.000 0.992 36 D CA 2.216 56.410 54.000 0.324 0.000 0.854 36 D CB 0.105 41.040 40.800 0.224 0.000 0.936 36 D HN 0.559 nan 8.370 nan 0.000 0.462 37 S N -1.075 114.690 115.700 0.110 0.000 2.500 37 S HA -0.118 4.352 4.470 -0.000 0.000 0.239 37 S C 2.062 176.657 174.600 -0.009 0.000 0.989 37 S CA 0.780 59.019 58.200 0.066 0.000 0.951 37 S CB -0.460 62.756 63.200 0.027 0.000 0.759 37 S HN 0.161 nan 8.310 nan 0.000 0.523 38 V N 1.280 121.093 119.914 -0.169 0.000 2.343 38 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 38 V C 2.043 177.949 176.094 -0.312 0.000 1.051 38 V CA 1.939 64.068 62.300 -0.285 0.000 1.036 38 V CB -1.075 30.478 31.823 -0.450 0.000 0.654 38 V HN 0.490 nan 8.190 nan 0.000 0.451 39 F N 1.264 121.256 119.950 0.071 0.000 2.048 39 F HA -0.231 4.296 4.527 -0.000 0.000 0.300 39 F C 2.494 178.304 175.800 0.015 0.000 1.221 39 F CA 1.987 60.005 58.000 0.032 0.000 1.214 39 F CB -1.601 37.417 39.000 0.031 0.000 0.941 39 F HN 0.201 nan 8.300 nan 0.000 0.531 40 G N -1.511 107.412 108.800 0.206 0.000 2.615 40 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.213 40 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.213 40 G C 1.151 176.086 174.900 0.059 0.000 1.135 40 G CA 1.422 46.586 45.100 0.107 0.000 0.772 40 G HN 0.543 nan 8.290 nan 0.000 0.542 41 T N -3.031 111.555 114.554 0.054 0.000 3.556 41 T HA 0.179 4.529 4.350 -0.000 0.000 0.204 41 T C 1.847 176.586 174.700 0.066 0.000 0.896 41 T CA 0.366 62.499 62.100 0.054 0.000 1.380 41 T CB -0.332 68.575 68.868 0.064 0.000 1.584 41 T HN -0.039 nan 8.240 nan 0.000 0.411 42 F N 2.226 122.128 119.950 -0.080 0.000 2.216 42 F HA 0.096 4.623 4.527 -0.000 0.000 0.300 42 F C 2.573 178.313 175.800 -0.101 0.000 1.085 42 F CA 1.229 59.175 58.000 -0.089 0.000 1.326 42 F CB -0.383 38.551 39.000 -0.110 0.000 1.027 42 F HN 0.126 nan 8.300 nan 0.000 0.497 43 Q N -0.058 119.646 119.800 -0.160 0.000 2.033 43 Q HA -0.112 4.228 4.340 -0.000 0.000 0.196 43 Q C 1.625 177.504 176.000 -0.202 0.000 0.970 43 Q CA 1.708 57.355 55.803 -0.259 0.000 0.828 43 Q CB -0.324 28.304 28.738 -0.184 0.000 0.895 43 Q HN 0.595 nan 8.270 nan 0.000 0.440 44 Q N -1.550 118.191 119.800 -0.099 0.000 3.147 44 Q HA -0.277 4.063 4.340 -0.000 0.000 0.202 44 Q C 1.540 177.502 176.000 -0.063 0.000 2.797 44 Q CA 1.780 57.539 55.803 -0.074 0.000 0.245 44 Q CB -1.807 26.868 28.738 -0.106 0.000 0.196 44 Q HN 0.328 nan 8.270 nan 0.000 0.449 45 S N -0.249 115.392 115.700 -0.099 0.000 2.461 45 S HA 0.165 4.635 4.470 -0.000 0.000 0.228 45 S C 0.612 175.154 174.600 -0.096 0.000 1.005 45 S CA 0.325 58.470 58.200 -0.092 0.000 0.942 45 S CB 0.157 63.291 63.200 -0.111 0.000 0.776 45 S HN 0.203 nan 8.310 nan 0.000 0.514 46 L N 1.309 122.467 121.223 -0.108 0.000 2.334 46 L HA 0.539 4.879 4.340 -0.000 0.000 0.272 46 L C 0.089 177.006 176.870 0.078 0.000 1.020 46 L CA -0.764 54.009 54.840 -0.112 0.000 0.812 46 L CB 2.017 43.878 42.059 -0.329 0.000 1.264 46 L HN 0.103 nan 8.230 nan 0.000 0.439 47 T N -3.188 111.394 114.554 0.046 0.000 2.907 47 T HA 0.179 4.529 4.350 -0.000 0.000 0.292 47 T C 0.740 175.282 174.700 -0.263 0.000 1.043 47 T CA -0.334 61.783 62.100 0.028 0.000 1.003 47 T CB 1.805 70.689 68.868 0.028 0.000 1.084 47 T HN 0.492 nan 8.240 nan 0.000 0.483 48 S N -0.183 115.239 115.700 -0.462 0.000 2.389 48 S HA -0.298 4.172 4.470 -0.000 0.000 0.231 48 S C 1.665 176.064 174.600 -0.336 0.000 1.052 48 S CA 2.010 59.762 58.200 -0.747 0.000 1.053 48 S CB -0.934 62.072 63.200 -0.323 0.000 0.886 48 S HN 0.866 nan 8.310 nan 0.000 0.456 49 H N 0.187 119.145 119.070 -0.187 0.000 2.395 49 H HA 0.045 4.601 4.556 0.000 0.000 0.299 49 H C 2.049 177.361 175.328 -0.026 0.000 1.070 49 H CA 1.663 57.660 56.048 -0.085 0.000 1.356 49 H CB -0.214 29.519 29.762 -0.048 0.000 1.401 49 H HN 0.491 nan 8.280 nan 0.000 0.524 50 M N 0.104 119.705 119.600 0.003 0.000 2.213 50 M HA -0.132 4.348 4.480 -0.000 0.000 0.263 50 M C 2.483 178.922 176.300 0.232 0.000 1.062 50 M CA 1.396 56.758 55.300 0.103 0.000 1.105 50 M CB -0.121 32.574 32.600 0.159 0.000 1.385 50 M HN 0.046 nan 8.290 nan 0.000 0.417 51 R N 1.295 121.899 120.500 0.173 0.000 2.062 51 R HA -0.033 4.307 4.340 -0.000 0.000 0.229 51 R C 1.725 178.033 176.300 0.013 0.000 1.128 51 R CA 1.703 57.942 56.100 0.232 0.000 0.960 51 R CB -0.352 29.949 30.300 0.002 0.000 0.855 51 R HN 0.223 nan 8.270 nan 0.000 0.432 52 K N 0.111 120.446 120.400 -0.109 0.000 2.097 52 K HA -0.100 4.221 4.320 -0.000 0.000 0.206 52 K C 2.045 178.574 176.600 -0.118 0.000 1.049 52 K CA 1.581 57.800 56.287 -0.114 0.000 0.933 52 K CB -0.210 32.186 32.500 -0.173 0.000 0.717 52 K HN 0.179 nan 8.250 nan 0.000 0.442 53 L N 0.347 121.452 121.223 -0.196 0.000 1.973 53 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 53 L C 2.356 179.238 176.870 0.021 0.000 1.073 53 L CA 0.660 55.433 54.840 -0.112 0.000 0.746 53 L CB -0.461 41.523 42.059 -0.124 0.000 0.891 53 L HN 0.154 nan 8.230 nan 0.000 0.433 54 L N 0.341 121.557 121.223 -0.012 0.000 2.051 54 L HA -0.188 4.152 4.340 -0.000 0.000 0.214 54 L C 2.296 179.245 176.870 0.133 0.000 1.076 54 L CA 2.282 57.111 54.840 -0.019 0.000 0.758 54 L CB -1.242 40.554 42.059 -0.439 0.000 0.890 54 L HN 0.250 nan 8.230 nan 0.000 0.433 55 G N -1.834 107.007 108.800 0.068 0.000 2.459 55 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.217 55 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.217 55 G C 1.483 176.513 174.900 0.216 0.000 1.183 55 G CA 1.686 46.860 45.100 0.123 0.000 0.776 55 G HN 0.538 nan 8.290 nan 0.000 0.552 56 T N -2.533 112.150 114.554 0.215 0.000 2.821 56 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 56 T C 2.043 176.929 174.700 0.310 0.000 1.046 56 T CA 1.393 63.660 62.100 0.279 0.000 1.139 56 T CB -0.448 68.475 68.868 0.092 0.000 0.871 56 T HN 0.468 nan 8.240 nan 0.000 0.454 57 W N 1.926 123.285 121.300 0.097 0.000 2.363 57 W HA 0.026 4.686 4.660 0.000 0.000 0.296 57 W C 2.091 178.694 176.519 0.140 0.000 1.212 57 W CA 0.961 58.366 57.345 0.099 0.000 1.260 57 W CB -0.376 29.113 29.460 0.048 0.000 1.131 57 W HN 0.171 nan 8.180 nan 0.000 0.530 58 M N -0.796 118.828 119.600 0.039 0.000 2.086 58 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 58 M C 2.236 178.456 176.300 -0.133 0.000 1.067 58 M CA 2.036 57.194 55.300 -0.236 0.000 1.116 58 M CB -1.131 31.470 32.600 0.002 0.000 1.348 58 M HN 0.090 nan 8.290 nan 0.000 0.407 59 F N 0.635 120.547 119.950 -0.064 0.000 2.120 59 F HA -0.296 4.231 4.527 0.000 0.000 0.300 59 F C 2.717 178.501 175.800 -0.027 0.000 1.095 59 F CA 1.944 59.937 58.000 -0.012 0.000 1.249 59 F CB -0.266 38.811 39.000 0.129 0.000 0.995 59 F HN 0.143 nan 8.300 nan 0.000 0.480 60 S N -0.017 115.863 115.700 0.301 0.000 2.404 60 S HA -0.228 4.242 4.470 -0.000 0.000 0.216 60 S C 2.087 176.651 174.600 -0.059 0.000 1.039 60 S CA 2.190 60.483 58.200 0.155 0.000 1.062 60 S CB -1.026 62.221 63.200 0.080 0.000 1.046 60 S HN 0.220 nan 8.310 nan 0.000 0.415 61 V N 1.274 121.043 119.914 -0.241 0.000 2.353 61 V HA -0.346 3.774 4.120 -0.000 0.000 0.260 61 V C 2.608 178.688 176.094 -0.023 0.000 1.091 61 V CA 2.200 64.406 62.300 -0.157 0.000 1.088 61 V CB -1.358 30.180 31.823 -0.476 0.000 0.672 61 V HN 0.726 nan 8.190 nan 0.000 0.455 62 C N -0.811 118.396 119.300 -0.155 0.000 3.688 62 C HA -0.090 4.370 4.460 -0.000 0.000 0.294 62 C C 2.784 177.682 174.990 -0.152 0.000 1.278 62 C CA 0.683 59.602 59.018 -0.164 0.000 1.778 62 C CB -1.074 26.502 27.740 -0.273 0.000 2.148 62 C HN 0.562 nan 8.230 nan 0.000 0.473 63 Q N 1.053 120.678 119.800 -0.292 0.000 2.389 63 Q HA -0.197 4.143 4.340 -0.000 0.000 0.213 63 Q C 1.809 177.760 176.000 -0.081 0.000 0.989 63 Q CA 1.363 57.034 55.803 -0.221 0.000 0.891 63 Q CB -0.663 27.869 28.738 -0.343 0.000 0.923 63 Q HN 0.756 nan 8.270 nan 0.000 0.455 64 E N 0.230 120.392 120.200 -0.063 0.000 2.034 64 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 64 E C 0.749 177.308 176.600 -0.069 0.000 0.963 64 E CA 0.345 56.706 56.400 -0.065 0.000 0.831 64 E CB -0.252 29.394 29.700 -0.090 0.000 0.801 64 E HN 0.312 nan 8.360 nan 0.000 0.463 65 Y N 2.441 122.693 120.300 -0.081 0.000 2.766 65 Y HA -0.056 4.494 4.550 -0.000 0.000 0.341 65 Y C -0.067 175.791 175.900 -0.071 0.000 1.217 65 Y CA 0.898 58.954 58.100 -0.074 0.000 1.289 65 Y CB -0.891 37.519 38.460 -0.083 0.000 1.060 65 Y HN 0.181 nan 8.280 nan 0.000 0.496 66 N N 0.249 118.979 118.700 0.050 0.000 2.708 66 N HA -0.219 4.521 4.740 -0.000 0.000 0.255 66 N C -1.185 174.328 175.510 0.004 0.000 1.046 66 N CA 0.674 53.733 53.050 0.016 0.000 0.715 66 N CB -1.501 36.997 38.487 0.018 0.000 0.895 66 N HN 0.382 nan 8.380 nan 0.000 0.545 67 L N 0.435 121.642 121.223 -0.027 0.000 2.346 67 L HA 0.353 4.693 4.340 -0.000 0.000 0.274 67 L C 0.748 177.576 176.870 -0.070 0.000 1.007 67 L CA -0.946 53.864 54.840 -0.051 0.000 0.818 67 L CB 1.404 43.419 42.059 -0.074 0.000 1.284 67 L HN 0.022 nan 8.230 nan 0.000 0.424 68 E N 3.601 123.770 120.200 -0.052 0.000 2.437 68 E HA -0.029 4.321 4.350 -0.000 0.000 0.263 68 E C -1.552 174.992 176.600 -0.094 0.000 1.030 68 E CA -0.873 55.499 56.400 -0.046 0.000 0.934 68 E CB 0.175 29.860 29.700 -0.024 0.000 0.943 68 E HN 0.341 nan 8.360 nan 0.000 0.444 69 P HA -0.248 nan 4.420 nan 0.000 0.216 69 P C 0.504 177.734 177.300 -0.116 0.000 1.153 69 P CA 1.275 64.277 63.100 -0.163 0.000 0.858 69 P CB 0.241 31.830 31.700 -0.185 0.000 0.789 70 N N 0.112 118.771 118.700 -0.069 0.000 2.049 70 N HA -0.144 4.596 4.740 -0.000 0.000 0.198 70 N C 1.970 177.441 175.510 -0.065 0.000 1.030 70 N CA 1.283 54.302 53.050 -0.052 0.000 0.870 70 N CB -1.357 37.113 38.487 -0.029 0.000 1.045 70 N HN -0.000 nan 8.380 nan 0.000 0.434 71 V N 0.949 120.819 119.914 -0.073 0.000 2.317 71 V HA -0.241 3.878 4.120 -0.000 0.000 0.251 71 V C 2.422 178.465 176.094 -0.086 0.000 1.065 71 V CA 1.544 63.798 62.300 -0.077 0.000 1.049 71 V CB -0.539 31.233 31.823 -0.085 0.000 0.651 71 V HN 0.118 nan 8.190 nan 0.000 0.450 72 V N 0.065 119.910 119.914 -0.114 0.000 2.307 72 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 72 V C 2.686 178.747 176.094 -0.056 0.000 1.045 72 V CA 1.767 64.003 62.300 -0.108 0.000 1.024 72 V CB -1.272 30.442 31.823 -0.181 0.000 0.651 72 V HN 0.549 nan 8.190 nan 0.000 0.449 73 A N -0.079 122.706 122.820 -0.059 0.000 1.940 73 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 73 A C 2.176 179.746 177.584 -0.023 0.000 1.176 73 A CA 2.252 54.269 52.037 -0.034 0.000 0.631 73 A CB -0.505 18.469 19.000 -0.043 0.000 0.814 73 A HN 0.449 nan 8.150 nan 0.000 0.446 74 L N -0.785 120.417 121.223 -0.035 0.000 2.102 74 L HA 0.186 4.526 4.340 -0.000 0.000 0.202 74 L C 2.676 179.537 176.870 -0.015 0.000 1.076 74 L CA 1.886 56.708 54.840 -0.031 0.000 0.761 74 L CB -0.885 41.147 42.059 -0.044 0.000 0.921 74 L HN 0.303 nan 8.230 nan 0.000 0.444 75 A N -0.370 122.436 122.820 -0.023 0.000 1.940 75 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 75 A C 2.271 179.864 177.584 0.015 0.000 1.176 75 A CA 2.108 54.138 52.037 -0.012 0.000 0.631 75 A CB -0.913 18.069 19.000 -0.029 0.000 0.814 75 A HN 0.500 nan 8.150 nan 0.000 0.446 76 L N -0.271 120.966 121.223 0.023 0.000 2.093 76 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 76 L C 2.638 179.549 176.870 0.069 0.000 1.085 76 L CA 1.386 56.258 54.840 0.054 0.000 0.755 76 L CB -0.584 41.510 42.059 0.058 0.000 0.904 76 L HN 0.592 nan 8.230 nan 0.000 0.435 77 N N 0.914 119.647 118.700 0.054 0.000 2.120 77 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 77 N C 1.959 177.515 175.510 0.077 0.000 1.024 77 N CA 1.313 54.406 53.050 0.071 0.000 0.852 77 N CB 0.036 38.557 38.487 0.058 0.000 1.003 77 N HN 0.299 nan 8.380 nan 0.000 0.424 78 L N 0.516 121.771 121.223 0.054 0.000 2.056 78 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 78 L C 2.571 179.477 176.870 0.061 0.000 1.078 78 L CA 0.608 55.476 54.840 0.047 0.000 0.749 78 L CB -0.461 41.608 42.059 0.017 0.000 0.901 78 L HN 0.187 nan 8.230 nan 0.000 0.433 79 L N 0.078 121.344 121.223 0.073 0.000 2.017 79 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 79 L C 1.726 178.685 176.870 0.148 0.000 1.073 79 L CA 2.049 56.954 54.840 0.108 0.000 0.745 79 L CB -0.481 41.642 42.059 0.107 0.000 0.894 79 L HN 0.166 nan 8.230 nan 0.000 0.432 80 D N -1.300 119.187 120.400 0.144 0.000 2.277 80 D HA -0.068 4.572 4.640 -0.000 0.000 0.208 80 D C 2.196 178.554 176.300 0.097 0.000 0.962 80 D CA 0.689 54.780 54.000 0.151 0.000 0.865 80 D CB 0.064 40.963 40.800 0.165 0.000 0.939 80 D HN 0.262 nan 8.370 nan 0.000 0.510 81 R N -0.275 120.276 120.500 0.084 0.000 2.153 81 R HA 0.040 4.380 4.340 -0.000 0.000 0.218 81 R C 1.837 178.167 176.300 0.050 0.000 1.072 81 R CA 0.249 56.383 56.100 0.057 0.000 0.990 81 R CB -0.056 30.286 30.300 0.070 0.000 0.889 81 R HN 0.149 nan 8.270 nan 0.000 0.452 82 L N 0.915 122.179 121.223 0.069 0.000 2.027 82 L HA -0.069 4.271 4.340 -0.000 0.000 0.206 82 L C 1.643 178.574 176.870 0.100 0.000 1.074 82 L CA 1.669 56.552 54.840 0.071 0.000 0.745 82 L CB -0.278 41.824 42.059 0.072 0.000 0.898 82 L HN 0.113 nan 8.230 nan 0.000 0.433 83 L N -0.713 120.580 121.223 0.116 0.000 2.549 83 L HA -0.144 4.196 4.340 -0.000 0.000 0.230 83 L C 1.927 178.881 176.870 0.141 0.000 1.162 83 L CA 0.216 55.130 54.840 0.122 0.000 0.834 83 L CB -0.385 41.728 42.059 0.091 0.000 0.947 83 L HN 0.316 nan 8.230 nan 0.000 0.452 84 L N -0.190 121.070 121.223 0.061 0.000 2.567 84 L HA 0.058 4.398 4.340 -0.000 0.000 0.225 84 L C 1.551 178.337 176.870 -0.139 0.000 1.119 84 L CA 1.019 55.822 54.840 -0.062 0.000 0.871 84 L CB 0.226 42.243 42.059 -0.070 0.000 1.036 84 L HN 0.271 nan 8.230 nan 0.000 0.459 85 I N -5.728 114.881 120.570 0.065 0.000 4.887 85 I HA 0.267 4.437 4.170 -0.000 0.000 0.349 85 I C 0.229 176.519 176.117 0.289 0.000 1.266 85 I CA -0.403 60.942 61.300 0.074 0.000 1.376 85 I CB 0.298 38.309 38.000 0.017 0.000 1.556 85 I HN -0.133 nan 8.210 nan 0.000 0.530 86 K N 2.665 123.250 120.400 0.308 0.000 2.426 86 K HA 0.446 4.766 4.320 -0.000 0.000 0.254 86 K C -0.901 175.722 176.600 0.038 0.000 0.936 86 K CA -0.472 55.920 56.287 0.174 0.000 0.801 86 K CB 1.830 34.380 32.500 0.083 0.000 1.139 86 K HN 0.163 nan 8.250 nan 0.000 0.424 87 Q N 2.575 122.266 119.800 -0.182 0.000 2.296 87 Q HA 0.197 4.537 4.340 -0.000 0.000 0.263 87 Q C -0.626 175.272 176.000 -0.169 0.000 1.026 87 Q CA -0.428 55.152 55.803 -0.372 0.000 0.912 87 Q CB 1.511 29.951 28.738 -0.498 0.000 1.198 87 Q HN 0.273 nan 8.270 nan 0.000 0.407 88 V N 2.645 122.474 119.914 -0.142 0.000 2.435 88 V HA 0.214 4.334 4.120 -0.000 0.000 0.290 88 V C 0.370 176.405 176.094 -0.098 0.000 1.030 88 V CA -0.588 61.675 62.300 -0.062 0.000 0.881 88 V CB 1.617 33.453 31.823 0.021 0.000 0.983 88 V HN 0.898 nan 8.190 nan 0.000 0.445 89 S N 4.003 119.691 115.700 -0.019 0.000 2.614 89 S HA 0.249 4.719 4.470 -0.000 0.000 0.265 89 S C 1.061 175.633 174.600 -0.046 0.000 1.303 89 S CA -0.146 58.032 58.200 -0.038 0.000 1.000 89 S CB 1.024 64.228 63.200 0.006 0.000 0.935 89 S HN 0.758 nan 8.310 nan 0.000 0.551 90 K N 0.759 121.115 120.400 -0.074 0.000 2.001 90 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 90 K C 2.159 178.751 176.600 -0.014 0.000 1.048 90 K CA 1.703 57.964 56.287 -0.045 0.000 0.932 90 K CB -0.465 32.005 32.500 -0.051 0.000 0.715 90 K HN 0.880 nan 8.250 nan 0.000 0.437 91 E N -0.469 119.661 120.200 -0.116 0.000 2.219 91 E HA -0.236 4.114 4.350 -0.000 0.000 0.198 91 E C 0.648 177.093 176.600 -0.259 0.000 0.998 91 E CA 1.587 57.839 56.400 -0.246 0.000 0.818 91 E CB 0.017 29.450 29.700 -0.445 0.000 0.741 91 E HN 0.578 nan 8.360 nan 0.000 0.477 92 H N -1.836 117.265 119.070 0.052 0.000 2.784 92 H HA 0.172 4.728 4.556 0.000 0.000 0.273 92 H C 0.895 176.293 175.328 0.117 0.000 1.112 92 H CA -0.269 55.805 56.048 0.044 0.000 1.162 92 H CB 0.224 29.989 29.762 0.006 0.000 1.586 92 H HN 0.156 nan 8.280 nan 0.000 0.548 93 F N 1.965 121.950 119.950 0.058 0.000 2.025 93 F HA -0.371 4.156 4.527 0.000 0.000 0.297 93 F C 2.642 178.459 175.800 0.028 0.000 1.132 93 F CA 1.611 59.637 58.000 0.044 0.000 1.191 93 F CB 0.119 39.141 39.000 0.036 0.000 0.963 93 F HN 0.216 nan 8.300 nan 0.000 0.481 94 Q N 0.863 120.724 119.800 0.102 0.000 2.029 94 Q HA -0.366 3.974 4.340 -0.000 0.000 0.209 94 Q C 2.268 178.230 176.000 -0.063 0.000 0.999 94 Q CA 2.628 58.378 55.803 -0.088 0.000 0.857 94 Q CB -0.427 28.233 28.738 -0.130 0.000 0.926 94 Q HN 0.419 nan 8.270 nan 0.000 0.415 95 K N -0.911 119.405 120.400 -0.141 0.000 2.127 95 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 95 K C 1.890 178.286 176.600 -0.339 0.000 1.047 95 K CA 1.900 57.809 56.287 -0.629 0.000 0.927 95 K CB -0.158 31.915 32.500 -0.712 0.000 0.716 95 K HN 0.272 nan 8.250 nan 0.000 0.450 96 T N -0.276 114.208 114.554 -0.116 0.000 2.777 96 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 96 T C 1.741 176.432 174.700 -0.015 0.000 1.040 96 T CA 1.411 63.491 62.100 -0.034 0.000 1.141 96 T CB -0.442 68.486 68.868 0.101 0.000 0.868 96 T HN 0.550 nan 8.240 nan 0.000 0.444 97 G N 0.693 109.483 108.800 -0.017 0.000 2.443 97 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.219 97 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.219 97 G C 1.831 176.799 174.900 0.113 0.000 1.131 97 G CA 0.907 46.023 45.100 0.026 0.000 0.775 97 G HN 0.471 nan 8.290 nan 0.000 0.547 98 S N 1.115 116.901 115.700 0.143 0.000 2.345 98 S HA 0.019 4.489 4.470 -0.000 0.000 0.220 98 S C 2.852 177.480 174.600 0.048 0.000 1.031 98 S CA 1.089 59.401 58.200 0.188 0.000 0.996 98 S CB -0.478 62.866 63.200 0.240 0.000 0.882 98 S HN 0.553 nan 8.310 nan 0.000 0.445 99 A N 0.737 123.535 122.820 -0.038 0.000 1.917 99 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 99 A C 2.403 179.964 177.584 -0.038 0.000 1.182 99 A CA 1.825 53.829 52.037 -0.055 0.000 0.633 99 A CB -1.433 17.511 19.000 -0.093 0.000 0.819 99 A HN 0.626 nan 8.150 nan 0.000 0.448 100 C N -1.520 117.768 119.300 -0.020 0.000 2.425 100 C HA -0.057 4.403 4.460 -0.000 0.000 0.277 100 C C 2.507 177.483 174.990 -0.023 0.000 1.280 100 C CA 1.036 60.044 59.018 -0.017 0.000 1.744 100 C CB -1.418 26.326 27.740 0.005 0.000 1.989 100 C HN 0.589 nan 8.230 nan 0.000 0.491 101 L N -0.008 121.206 121.223 -0.017 0.000 2.056 101 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 101 L C 2.273 179.113 176.870 -0.050 0.000 1.078 101 L CA 1.458 56.272 54.840 -0.043 0.000 0.749 101 L CB -1.142 40.884 42.059 -0.054 0.000 0.901 101 L HN 0.235 nan 8.230 nan 0.000 0.433 102 L N -1.123 120.079 121.223 -0.034 0.000 1.943 102 L HA -0.196 4.144 4.340 -0.000 0.000 0.215 102 L C 2.469 179.312 176.870 -0.045 0.000 1.074 102 L CA 1.891 56.708 54.840 -0.037 0.000 0.759 102 L CB -0.946 41.099 42.059 -0.023 0.000 0.888 102 L HN 0.054 nan 8.230 nan 0.000 0.433 103 V N 0.512 120.395 119.914 -0.051 0.000 2.250 103 V HA -0.397 3.723 4.120 -0.000 0.000 0.250 103 V C 2.831 178.898 176.094 -0.045 0.000 1.060 103 V CA 2.116 64.382 62.300 -0.057 0.000 1.030 103 V CB -1.690 30.086 31.823 -0.079 0.000 0.643 103 V HN 0.691 nan 8.190 nan 0.000 0.445 104 A N 0.633 123.427 122.820 -0.044 0.000 1.917 104 A HA -0.263 4.057 4.320 -0.000 0.000 0.219 104 A C 2.505 180.062 177.584 -0.045 0.000 1.182 104 A CA 2.791 54.803 52.037 -0.043 0.000 0.633 104 A CB -0.775 18.198 19.000 -0.045 0.000 0.819 104 A HN 0.754 nan 8.150 nan 0.000 0.448 105 S N -0.705 114.964 115.700 -0.050 0.000 2.446 105 S HA -0.024 4.446 4.470 -0.000 0.000 0.225 105 S C 1.683 176.260 174.600 -0.037 0.000 1.016 105 S CA 1.050 59.220 58.200 -0.050 0.000 0.943 105 S CB -0.262 62.899 63.200 -0.065 0.000 0.786 105 S HN 0.580 nan 8.310 nan 0.000 0.508 106 K N 0.689 121.070 120.400 -0.032 0.000 2.362 106 K HA 0.196 4.516 4.320 -0.000 0.000 0.200 106 K C 1.396 177.990 176.600 -0.011 0.000 1.046 106 K CA 0.760 57.036 56.287 -0.019 0.000 0.952 106 K CB -0.228 32.263 32.500 -0.015 0.000 0.753 106 K HN 0.413 nan 8.250 nan 0.000 0.466 107 L N -0.448 120.764 121.223 -0.017 0.000 2.638 107 L HA 0.104 4.444 4.340 -0.000 0.000 0.232 107 L C 1.583 178.442 176.870 -0.017 0.000 1.099 107 L CA 0.095 54.928 54.840 -0.012 0.000 0.883 107 L CB 0.374 42.425 42.059 -0.014 0.000 1.136 107 L HN -0.008 nan 8.230 nan 0.000 0.492 108 R N -1.174 119.311 120.500 -0.024 0.000 2.568 108 R HA 0.231 4.571 4.340 -0.000 0.000 0.254 108 R C 0.588 176.873 176.300 -0.025 0.000 0.925 108 R CA 0.232 56.317 56.100 -0.025 0.000 1.025 108 R CB 0.609 30.889 30.300 -0.033 0.000 1.428 108 R HN 0.190 nan 8.270 nan 0.000 0.573 109 S N 0.241 115.924 115.700 -0.028 0.000 2.565 109 S HA 0.348 4.818 4.470 -0.000 0.000 0.290 109 S C 1.050 175.639 174.600 -0.020 0.000 1.150 109 S CA -0.631 57.553 58.200 -0.026 0.000 1.058 109 S CB 1.783 64.963 63.200 -0.034 0.000 1.032 109 S HN -0.085 nan 8.310 nan 0.000 0.510 110 L N 1.700 122.914 121.223 -0.016 0.000 2.217 110 L HA 0.089 4.429 4.340 -0.000 0.000 0.211 110 L C 1.917 178.779 176.870 -0.013 0.000 1.107 110 L CA 1.218 56.050 54.840 -0.012 0.000 0.783 110 L CB -1.101 40.952 42.059 -0.010 0.000 0.919 110 L HN 0.977 nan 8.230 nan 0.000 0.442 111 T N -1.972 112.572 114.554 -0.017 0.000 3.315 111 T HA 0.335 4.685 4.350 -0.000 0.000 0.275 111 T C -2.471 172.210 174.700 -0.032 0.000 1.598 111 T CA -1.858 60.230 62.100 -0.019 0.000 1.368 111 T CB -0.457 68.403 68.868 -0.013 0.000 1.079 111 T HN -0.030 nan 8.240 nan 0.000 0.703 112 P HA 0.096 nan 4.420 nan 0.000 0.260 112 P C 0.451 177.713 177.300 -0.062 0.000 1.185 112 P CA -0.353 62.721 63.100 -0.043 0.000 0.763 112 P CB 0.754 32.435 31.700 -0.030 0.000 0.776 113 I N 2.912 123.425 120.570 -0.095 0.000 2.813 113 I HA -0.047 4.123 4.170 -0.000 0.000 0.287 113 I C 0.905 176.950 176.117 -0.120 0.000 1.196 113 I CA 0.197 61.404 61.300 -0.156 0.000 1.421 113 I CB 0.753 38.608 38.000 -0.242 0.000 1.365 113 I HN 0.443 nan 8.210 nan 0.000 0.591 114 S N 3.528 119.151 115.700 -0.130 0.000 2.632 114 S HA 0.202 4.672 4.470 -0.000 0.000 0.271 114 S C 1.147 175.722 174.600 -0.041 0.000 1.260 114 S CA -0.085 58.074 58.200 -0.068 0.000 1.010 114 S CB 1.514 64.686 63.200 -0.048 0.000 0.965 114 S HN 0.802 nan 8.310 nan 0.000 0.534 115 T N 0.385 114.942 114.554 0.005 0.000 2.595 115 T HA -0.216 4.134 4.350 -0.000 0.000 0.264 115 T C 2.131 176.870 174.700 0.067 0.000 1.058 115 T CA 1.867 63.999 62.100 0.053 0.000 1.166 115 T CB -1.732 67.173 68.868 0.062 0.000 0.863 115 T HN 0.953 nan 8.240 nan 0.000 0.415 116 S N 1.884 117.615 115.700 0.052 0.000 2.372 116 S HA -0.237 4.233 4.470 -0.000 0.000 0.227 116 S C 2.365 177.018 174.600 0.088 0.000 1.044 116 S CA 1.822 60.061 58.200 0.066 0.000 1.050 116 S CB -1.385 61.847 63.200 0.054 0.000 0.901 116 S HN 0.604 nan 8.310 nan 0.000 0.447 117 S N 1.439 117.153 115.700 0.024 0.000 2.370 117 S HA -0.029 4.441 4.470 -0.000 0.000 0.226 117 S C 1.807 176.429 174.600 0.037 0.000 1.033 117 S CA 1.364 59.551 58.200 -0.022 0.000 1.011 117 S CB -0.639 62.414 63.200 -0.245 0.000 0.852 117 S HN 0.565 nan 8.310 nan 0.000 0.457 118 L N 0.587 121.823 121.223 0.022 0.000 1.973 118 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 118 L C 2.844 179.827 176.870 0.189 0.000 1.073 118 L CA 1.395 56.319 54.840 0.140 0.000 0.746 118 L CB -0.899 41.272 42.059 0.187 0.000 0.891 118 L HN 0.402 nan 8.230 nan 0.000 0.433 119 C N -1.028 118.322 119.300 0.083 0.000 2.392 119 C HA -0.280 4.180 4.460 -0.000 0.000 0.276 119 C C 2.663 177.547 174.990 -0.177 0.000 1.212 119 C CA 0.958 59.827 59.018 -0.248 0.000 1.791 119 C CB -1.041 26.617 27.740 -0.137 0.000 2.063 119 C HN 0.514 nan 8.230 nan 0.000 0.481 120 Y N 1.905 122.178 120.300 -0.045 0.000 2.062 120 Y HA -0.083 4.467 4.550 0.000 0.000 0.272 120 Y C 2.486 178.432 175.900 0.075 0.000 1.117 120 Y CA 1.714 59.822 58.100 0.014 0.000 1.095 120 Y CB -1.041 37.464 38.460 0.075 0.000 0.985 120 Y HN 0.180 nan 8.280 nan 0.000 0.479 121 A N 0.329 123.487 122.820 0.564 0.000 2.245 121 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 121 A C 1.907 179.757 177.584 0.443 0.000 1.171 121 A CA 1.436 53.807 52.037 0.556 0.000 0.688 121 A CB -1.457 17.924 19.000 0.633 0.000 0.781 121 A HN 0.618 nan 8.150 nan 0.000 0.479 122 A N -1.707 121.229 122.820 0.193 0.000 2.411 122 A HA 0.546 4.866 4.320 -0.000 0.000 0.251 122 A C 1.366 178.818 177.584 -0.221 0.000 1.317 122 A CA 0.904 52.916 52.037 -0.042 0.000 0.904 122 A CB -1.115 17.708 19.000 -0.295 0.000 0.993 122 A HN 1.961 nan 8.150 nan 0.000 0.504 123 A N -0.461 122.247 122.820 -0.186 0.000 2.790 123 A HA -0.279 4.041 4.320 -0.000 0.000 0.277 123 A C 0.898 178.321 177.584 -0.269 0.000 1.435 123 A CA 1.873 53.774 52.037 -0.226 0.000 0.877 123 A CB -2.390 16.514 19.000 -0.161 0.000 1.007 123 A HN 1.662 nan 8.150 nan 0.000 0.613 124 D N -2.276 117.919 120.400 -0.342 0.000 3.039 124 D HA -0.257 4.383 4.640 -0.000 0.000 0.222 124 D C 1.138 177.258 176.300 -0.300 0.000 1.179 124 D CA 2.452 56.253 54.000 -0.331 0.000 0.880 124 D CB -1.453 39.203 40.800 -0.240 0.000 1.115 124 D HN 1.593 nan 8.370 nan 0.000 0.416 125 S N -1.102 114.412 115.700 -0.310 0.000 2.400 125 S HA -0.074 4.396 4.470 -0.000 0.000 0.232 125 S C 0.821 175.399 174.600 -0.037 0.000 1.025 125 S CA 1.104 59.219 58.200 -0.142 0.000 0.993 125 S CB -0.585 62.583 63.200 -0.054 0.000 0.808 125 S HN 0.556 nan 8.310 nan 0.000 0.478 126 F N 0.248 120.204 119.950 0.010 0.000 2.577 126 F HA 0.837 5.364 4.527 -0.000 0.000 0.318 126 F C -0.053 175.763 175.800 0.027 0.000 1.065 126 F CA -1.727 56.292 58.000 0.031 0.000 0.929 126 F CB 1.151 40.181 39.000 0.051 0.000 1.237 126 F HN -0.063 nan 8.300 nan 0.000 0.468 127 S N 1.352 117.193 115.700 0.236 0.000 2.585 127 S HA 0.199 4.669 4.470 -0.000 0.000 0.273 127 S C 1.477 176.204 174.600 0.213 0.000 1.339 127 S CA -0.197 58.090 58.200 0.147 0.000 1.028 127 S CB 0.808 64.072 63.200 0.108 0.000 0.906 127 S HN 0.966 nan 8.310 nan 0.000 0.528 128 R N 1.697 122.274 120.500 0.128 0.000 2.083 128 R HA -0.126 4.214 4.340 -0.000 0.000 0.237 128 R C 1.934 178.301 176.300 0.112 0.000 1.137 128 R CA 1.685 57.862 56.100 0.128 0.000 0.951 128 R CB -0.408 29.939 30.300 0.078 0.000 0.851 128 R HN 0.665 nan 8.270 nan 0.000 0.434 129 Q N 0.940 120.790 119.800 0.083 0.000 2.030 129 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 129 Q C 1.943 177.974 176.000 0.052 0.000 0.986 129 Q CA 2.163 58.000 55.803 0.057 0.000 0.843 129 Q CB -0.272 28.493 28.738 0.044 0.000 0.904 129 Q HN 0.571 nan 8.270 nan 0.000 0.420 130 E N 0.218 120.463 120.200 0.074 0.000 2.130 130 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 130 E C 1.947 178.537 176.600 -0.017 0.000 0.998 130 E CA 0.944 57.367 56.400 0.038 0.000 0.806 130 E CB -0.156 29.601 29.700 0.096 0.000 0.738 130 E HN 0.114 nan 8.360 nan 0.000 0.459 131 L N 0.797 122.057 121.223 0.062 0.000 2.109 131 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 131 L C 1.937 178.787 176.870 -0.034 0.000 1.086 131 L CA 1.391 56.210 54.840 -0.035 0.000 0.760 131 L CB -0.125 42.041 42.059 0.178 0.000 0.910 131 L HN 0.100 nan 8.230 nan 0.000 0.437 132 I N -0.315 120.261 120.570 0.009 0.000 2.315 132 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 132 I C 1.740 177.839 176.117 -0.031 0.000 1.117 132 I CA 1.231 62.528 61.300 -0.005 0.000 1.404 132 I CB -0.458 37.551 38.000 0.016 0.000 1.071 132 I HN 0.297 nan 8.210 nan 0.000 0.419 133 D N 0.302 120.681 120.400 -0.034 0.000 2.269 133 D HA -0.136 4.504 4.640 -0.000 0.000 0.208 133 D C 2.115 178.368 176.300 -0.078 0.000 0.963 133 D CA 0.806 54.778 54.000 -0.047 0.000 0.864 133 D CB -0.045 40.729 40.800 -0.043 0.000 0.936 133 D HN 0.371 nan 8.370 nan 0.000 0.505 134 Q N 0.521 120.259 119.800 -0.104 0.000 2.269 134 Q HA -0.048 4.292 4.340 -0.000 0.000 0.201 134 Q C 1.905 177.836 176.000 -0.115 0.000 0.946 134 Q CA 0.420 56.147 55.803 -0.127 0.000 0.877 134 Q CB 0.168 28.800 28.738 -0.176 0.000 0.963 134 Q HN 0.484 nan 8.270 nan 0.000 0.472 135 E N 1.056 121.192 120.200 -0.107 0.000 2.046 135 E HA -0.170 4.180 4.350 -0.000 0.000 0.190 135 E C 1.930 178.431 176.600 -0.165 0.000 0.982 135 E CA 0.856 57.181 56.400 -0.125 0.000 0.800 135 E CB 0.160 29.800 29.700 -0.099 0.000 0.756 135 E HN 0.119 nan 8.360 nan 0.000 0.449 136 K N 0.528 120.854 120.400 -0.123 0.000 2.097 136 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 136 K C 2.174 178.699 176.600 -0.125 0.000 1.049 136 K CA 1.344 57.559 56.287 -0.118 0.000 0.933 136 K CB 0.021 32.497 32.500 -0.041 0.000 0.717 136 K HN 0.018 nan 8.250 nan 0.000 0.442 137 E N 0.920 121.059 120.200 -0.100 0.000 2.031 137 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 137 E C 2.058 178.598 176.600 -0.101 0.000 0.994 137 E CA 1.044 57.394 56.400 -0.083 0.000 0.800 137 E CB -0.246 29.407 29.700 -0.079 0.000 0.752 137 E HN 0.281 nan 8.360 nan 0.000 0.447 138 L N 1.049 122.199 121.223 -0.123 0.000 2.042 138 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 138 L C 2.352 179.110 176.870 -0.188 0.000 1.076 138 L CA 1.523 56.289 54.840 -0.122 0.000 0.749 138 L CB -0.635 41.354 42.059 -0.117 0.000 0.893 138 L HN 0.112 nan 8.230 nan 0.000 0.432 139 L N -0.788 120.240 121.223 -0.324 0.000 2.083 139 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 139 L C 2.549 179.158 176.870 -0.435 0.000 1.083 139 L CA 1.419 55.901 54.840 -0.597 0.000 0.752 139 L CB -0.706 40.668 42.059 -1.143 0.000 0.899 139 L HN 0.381 nan 8.230 nan 0.000 0.433 140 E N 0.054 120.127 120.200 -0.213 0.000 2.047 140 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 140 E C 2.172 178.774 176.600 0.003 0.000 0.987 140 E CA 0.761 57.146 56.400 -0.025 0.000 0.799 140 E CB 0.047 29.756 29.700 0.016 0.000 0.752 140 E HN 0.337 nan 8.360 nan 0.000 0.449 141 K N 0.677 121.064 120.400 -0.022 0.000 2.097 141 K HA -0.072 4.248 4.320 -0.000 0.000 0.206 141 K C 2.060 178.665 176.600 0.008 0.000 1.049 141 K CA 0.778 57.066 56.287 0.002 0.000 0.933 141 K CB -0.122 32.379 32.500 0.002 0.000 0.717 141 K HN 0.215 nan 8.250 nan 0.000 0.442 142 L N 0.349 121.563 121.223 -0.015 0.000 2.592 142 L HA 0.161 4.501 4.340 -0.000 0.000 0.227 142 L C 0.470 177.370 176.870 0.050 0.000 1.127 142 L CA 0.041 54.885 54.840 0.008 0.000 0.884 142 L CB -0.278 41.776 42.059 -0.009 0.000 1.065 142 L HN 0.089 nan 8.230 nan 0.000 0.457 143 A N -0.646 122.221 122.820 0.079 0.000 2.667 143 A HA -0.238 4.082 4.320 -0.000 0.000 0.298 143 A C 0.352 178.153 177.584 0.362 0.000 1.483 143 A CA 0.713 52.886 52.037 0.227 0.000 0.738 143 A CB -2.464 16.631 19.000 0.157 0.000 1.067 143 A HN 0.663 nan 8.150 nan 0.000 0.451 144 W N -2.411 118.899 121.300 0.017 0.000 3.572 144 W HA -0.270 4.390 4.660 0.000 0.000 0.298 144 W C 0.828 177.363 176.519 0.026 0.000 1.113 144 W CA 1.365 58.721 57.345 0.018 0.000 0.657 144 W CB -1.570 27.898 29.460 0.012 0.000 2.150 144 W HN 0.875 nan 8.180 nan 0.000 1.471 145 R N 1.617 122.225 120.500 0.181 0.000 3.266 145 R HA 0.244 4.584 4.340 -0.000 0.000 0.224 145 R C 1.340 177.707 176.300 0.112 0.000 1.525 145 R CA 0.937 57.127 56.100 0.149 0.000 1.364 145 R CB 0.012 30.392 30.300 0.134 0.000 1.276 145 R HN 0.208 nan 8.270 nan 0.000 0.660 146 T N -1.856 112.751 114.554 0.088 0.000 3.044 146 T HA 0.176 4.526 4.350 -0.000 0.000 0.250 146 T C 0.516 175.229 174.700 0.023 0.000 1.081 146 T CA -0.137 61.986 62.100 0.039 0.000 1.040 146 T CB 0.419 69.287 68.868 0.000 0.000 0.962 146 T HN 0.202 nan 8.240 nan 0.000 0.506 147 E N 1.340 121.554 120.200 0.023 0.000 2.248 147 E HA 0.750 5.100 4.350 -0.000 0.000 0.272 147 E C -0.717 175.772 176.600 -0.185 0.000 1.008 147 E CA -0.383 55.981 56.400 -0.060 0.000 0.856 147 E CB 1.931 31.600 29.700 -0.052 0.000 1.120 147 E HN 0.506 nan 8.360 nan 0.000 0.397 148 A N 1.549 124.124 122.820 -0.408 0.000 2.606 148 A HA 0.435 4.755 4.320 -0.000 0.000 0.293 148 A C -0.984 176.128 177.584 -0.788 0.000 1.082 148 A CA -0.660 50.738 52.037 -1.065 0.000 0.685 148 A CB 1.075 19.691 19.000 -0.641 0.000 1.284 148 A HN 0.289 nan 8.150 nan 0.000 0.408 149 V N 2.188 121.511 119.914 -0.985 0.000 2.521 149 V HA 0.242 4.362 4.120 -0.000 0.000 0.286 149 V C 0.166 176.113 176.094 -0.246 0.000 1.034 149 V CA 0.519 62.578 62.300 -0.400 0.000 1.045 149 V CB 0.301 31.988 31.823 -0.227 0.000 0.974 149 V HN 0.637 nan 8.190 nan 0.000 0.480 150 L N 3.801 124.943 121.223 -0.136 0.000 2.331 150 L HA 0.578 4.918 4.340 -0.000 0.000 0.268 150 L C 1.435 178.291 176.870 -0.023 0.000 1.015 150 L CA -0.522 54.275 54.840 -0.071 0.000 0.807 150 L CB 1.418 43.438 42.059 -0.064 0.000 1.293 150 L HN 0.650 nan 8.230 nan 0.000 0.451 151 A N -0.143 122.672 122.820 -0.008 0.000 1.929 151 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 151 A C 2.093 179.675 177.584 -0.004 0.000 1.176 151 A CA 1.819 53.861 52.037 0.008 0.000 0.628 151 A CB -0.905 18.098 19.000 0.005 0.000 0.816 151 A HN 0.907 nan 8.150 nan 0.000 0.444 152 T N -1.678 112.862 114.554 -0.024 0.000 2.849 152 T HA -0.157 4.193 4.350 -0.000 0.000 0.270 152 T C 1.074 175.783 174.700 0.015 0.000 1.066 152 T CA 1.512 63.590 62.100 -0.037 0.000 1.130 152 T CB -0.484 68.361 68.868 -0.038 0.000 0.864 152 T HN 0.384 nan 8.240 nan 0.000 0.481 153 D N 0.734 121.149 120.400 0.026 0.000 2.348 153 D HA 0.059 4.699 4.640 -0.000 0.000 0.216 153 D C 1.866 178.232 176.300 0.110 0.000 0.970 153 D CA 0.373 54.408 54.000 0.058 0.000 0.889 153 D CB 0.184 40.989 40.800 0.008 0.000 0.912 153 D HN 0.401 nan 8.370 nan 0.000 0.524 154 V N 0.479 120.462 119.914 0.115 0.000 3.379 154 V HA -0.102 4.018 4.120 -0.000 0.000 0.249 154 V C 2.611 178.824 176.094 0.199 0.000 1.184 154 V CA 1.227 63.651 62.300 0.207 0.000 1.106 154 V CB -0.014 31.947 31.823 0.230 0.000 0.826 154 V HN 0.238 nan 8.190 nan 0.000 0.465 155 T N -1.489 113.106 114.554 0.067 0.000 2.685 155 T HA -0.325 4.025 4.350 -0.000 0.000 0.268 155 T C 2.032 176.754 174.700 0.037 0.000 1.034 155 T CA 2.294 64.372 62.100 -0.037 0.000 1.149 155 T CB -0.592 68.117 68.868 -0.265 0.000 0.860 155 T HN 0.386 nan 8.240 nan 0.000 0.449 156 S N 0.766 116.589 115.700 0.205 0.000 2.404 156 S HA -0.133 4.337 4.470 -0.000 0.000 0.216 156 S C 1.564 176.287 174.600 0.205 0.000 1.039 156 S CA 1.532 59.968 58.200 0.394 0.000 1.062 156 S CB -1.032 62.420 63.200 0.419 0.000 1.046 156 S HN 0.562 nan 8.310 nan 0.000 0.415 157 F N 1.980 121.977 119.950 0.078 0.000 2.106 157 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 157 F C 1.858 177.601 175.800 -0.094 0.000 1.082 157 F CA 1.992 59.983 58.000 -0.015 0.000 1.244 157 F CB -0.543 38.438 39.000 -0.032 0.000 0.997 157 F HN 0.268 nan 8.300 nan 0.000 0.486 158 L N -0.907 120.187 121.223 -0.214 0.000 2.023 158 L HA -0.189 4.151 4.340 -0.000 0.000 0.205 158 L C 2.412 179.136 176.870 -0.244 0.000 1.073 158 L CA 0.795 55.436 54.840 -0.330 0.000 0.745 158 L CB -0.894 41.114 42.059 -0.085 0.000 0.900 158 L HN 0.193 nan 8.230 nan 0.000 0.435 159 L N -0.214 120.953 121.223 -0.093 0.000 2.189 159 L HA -0.232 4.108 4.340 -0.000 0.000 0.214 159 L C 2.201 179.046 176.870 -0.042 0.000 1.097 159 L CA 1.621 56.445 54.840 -0.027 0.000 0.764 159 L CB -0.475 41.636 42.059 0.087 0.000 0.900 159 L HN 0.186 nan 8.230 nan 0.000 0.436 160 L N -1.552 119.607 121.223 -0.107 0.000 2.209 160 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 160 L C 2.273 179.032 176.870 -0.185 0.000 1.094 160 L CA 0.800 55.574 54.840 -0.110 0.000 0.790 160 L CB -0.152 41.842 42.059 -0.108 0.000 0.932 160 L HN 0.205 nan 8.230 nan 0.000 0.447 161 K N -0.426 119.779 120.400 -0.325 0.000 2.365 161 K HA -0.050 4.270 4.320 -0.000 0.000 0.199 161 K C 1.768 178.254 176.600 -0.190 0.000 1.045 161 K CA 0.696 56.800 56.287 -0.304 0.000 0.962 161 K CB 0.273 32.497 32.500 -0.460 0.000 0.759 161 K HN 0.316 nan 8.250 nan 0.000 0.469 162 L N -0.035 121.091 121.223 -0.162 0.000 2.194 162 L HA 0.000 4.340 4.340 -0.000 0.000 0.197 162 L C 1.210 178.024 176.870 -0.093 0.000 1.106 162 L CA 0.256 55.022 54.840 -0.123 0.000 0.785 162 L CB -0.041 41.941 42.059 -0.129 0.000 0.960 162 L HN -0.200 nan 8.230 nan 0.000 0.465 163 V N 1.860 121.735 119.914 -0.064 0.000 2.085 163 V HA 0.030 4.150 4.120 -0.000 0.000 0.282 163 V C 1.777 177.861 176.094 -0.016 0.000 1.787 163 V CA 0.647 62.935 62.300 -0.020 0.000 1.715 163 V CB -1.227 30.647 31.823 0.085 0.000 1.501 163 V HN 0.593 nan 8.190 nan 0.000 0.506 164 G N 2.605 111.378 108.800 -0.046 0.000 3.135 164 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.315 164 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.315 164 G C 1.019 175.909 174.900 -0.018 0.000 1.187 164 G CA 1.121 46.197 45.100 -0.041 0.000 1.089 164 G HN 0.812 nan 8.290 nan 0.000 0.972 165 G N -1.619 107.179 108.800 -0.003 0.000 2.418 165 G HA2 0.317 4.277 3.960 -0.000 0.000 0.276 165 G HA3 0.317 4.277 3.960 -0.000 0.000 0.276 165 G C 1.325 176.250 174.900 0.042 0.000 1.442 165 G CA 1.009 46.119 45.100 0.017 0.000 1.066 165 G HN 0.550 nan 8.290 nan 0.000 0.553 166 S N -0.573 115.162 115.700 0.059 0.000 2.527 166 S HA 0.066 4.536 4.470 -0.000 0.000 0.227 166 S C 1.045 175.717 174.600 0.120 0.000 1.059 166 S CA 0.129 58.374 58.200 0.075 0.000 0.919 166 S CB -0.003 63.228 63.200 0.052 0.000 0.805 166 S HN 0.747 nan 8.310 nan 0.000 0.500 167 Q N 1.111 121.001 119.800 0.149 0.000 2.315 167 Q HA 0.154 4.494 4.340 -0.000 0.000 0.289 167 Q C -0.033 176.234 176.000 0.445 0.000 1.044 167 Q CA 0.514 56.466 55.803 0.248 0.000 0.920 167 Q CB 0.027 28.941 28.738 0.293 0.000 1.214 167 Q HN 0.445 nan 8.270 nan 0.000 0.392 168 H N -0.278 118.843 119.070 0.085 0.000 4.668 168 H HA -0.232 4.324 4.556 -0.000 0.000 0.095 168 H C 0.819 176.274 175.328 0.211 0.000 0.599 168 H CA 1.320 57.450 56.048 0.136 0.000 1.148 168 H CB -1.522 28.396 29.762 0.260 0.000 0.502 168 H HN 0.606 nan 8.280 nan 0.000 0.702 169 L N 1.600 123.018 121.223 0.325 0.000 2.283 169 L HA -0.203 4.137 4.340 -0.000 0.000 0.217 169 L C 1.546 178.558 176.870 0.237 0.000 1.104 169 L CA 2.474 57.476 54.840 0.271 0.000 0.772 169 L CB -0.215 41.945 42.059 0.169 0.000 0.899 169 L HN 0.441 nan 8.230 nan 0.000 0.439 170 D N -2.186 118.311 120.400 0.162 0.000 2.277 170 D HA -0.102 4.538 4.640 -0.000 0.000 0.209 170 D C 1.833 178.199 176.300 0.110 0.000 0.970 170 D CA 0.702 54.769 54.000 0.111 0.000 0.874 170 D CB 0.006 40.827 40.800 0.036 0.000 0.982 170 D HN 0.379 nan 8.370 nan 0.000 0.504 171 F N 0.640 120.531 119.950 -0.098 0.000 2.084 171 F HA -0.143 4.384 4.527 -0.000 0.000 0.296 171 F C 1.935 177.628 175.800 -0.178 0.000 1.111 171 F CA 1.517 59.359 58.000 -0.262 0.000 1.224 171 F CB -0.550 38.107 39.000 -0.571 0.000 0.991 171 F HN -0.077 nan 8.300 nan 0.000 0.471 172 W N -0.448 120.924 121.300 0.120 0.000 2.388 172 W HA -0.196 4.464 4.660 -0.000 0.000 0.294 172 W C 2.871 179.384 176.519 -0.010 0.000 1.212 172 W CA 1.262 58.617 57.345 0.017 0.000 1.271 172 W CB -0.750 28.800 29.460 0.150 0.000 1.126 172 W HN 0.154 nan 8.180 nan 0.000 0.535 173 H N -0.338 118.843 119.070 0.186 0.000 2.267 173 H HA -0.256 4.300 4.556 0.000 0.000 0.297 173 H C 2.243 177.600 175.328 0.048 0.000 1.080 173 H CA 2.309 58.424 56.048 0.111 0.000 1.278 173 H CB -0.874 28.947 29.762 0.099 0.000 1.365 173 H HN 0.136 nan 8.280 nan 0.000 0.489 174 H N 0.786 119.935 119.070 0.132 0.000 2.457 174 H HA -0.082 4.474 4.556 -0.000 0.000 0.297 174 H C 1.721 176.981 175.328 -0.113 0.000 1.092 174 H CA 1.326 57.380 56.048 0.011 0.000 1.309 174 H CB 0.410 30.145 29.762 -0.045 0.000 1.382 174 H HN 0.438 nan 8.280 nan 0.000 0.535 175 E N 0.331 120.475 120.200 -0.093 0.000 2.016 175 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 175 E C 2.696 179.256 176.600 -0.067 0.000 0.985 175 E CA 0.733 57.056 56.400 -0.128 0.000 0.802 175 E CB -0.629 28.945 29.700 -0.210 0.000 0.762 175 E HN 0.257 nan 8.360 nan 0.000 0.448 176 V N 2.728 122.634 119.914 -0.013 0.000 2.252 176 V HA -0.304 3.816 4.120 -0.000 0.000 0.249 176 V C 1.988 178.014 176.094 -0.112 0.000 1.056 176 V CA 2.147 64.421 62.300 -0.044 0.000 1.022 176 V CB -0.726 31.068 31.823 -0.049 0.000 0.641 176 V HN 0.201 nan 8.190 nan 0.000 0.445 177 N N -0.146 118.443 118.700 -0.185 0.000 2.258 177 N HA -0.145 4.595 4.740 -0.000 0.000 0.187 177 N C 1.793 177.193 175.510 -0.183 0.000 1.012 177 N CA 1.844 54.779 53.050 -0.192 0.000 0.870 177 N CB -0.542 37.815 38.487 -0.217 0.000 0.977 177 N HN 0.538 nan 8.380 nan 0.000 0.434 178 T N 0.903 115.326 114.554 -0.219 0.000 2.857 178 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 178 T C 1.964 176.613 174.700 -0.084 0.000 1.048 178 T CA 0.252 62.249 62.100 -0.170 0.000 1.139 178 T CB -0.106 68.656 68.868 -0.177 0.000 0.874 178 T HN 0.202 nan 8.240 nan 0.000 0.455 179 L N 1.112 122.287 121.223 -0.080 0.000 1.994 179 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 179 L C 2.246 179.068 176.870 -0.079 0.000 1.071 179 L CA 1.366 56.166 54.840 -0.066 0.000 0.745 179 L CB -0.415 41.624 42.059 -0.033 0.000 0.892 179 L HN 0.133 nan 8.230 nan 0.000 0.431 180 I N 0.601 121.129 120.570 -0.070 0.000 2.113 180 I HA -0.363 3.807 4.170 -0.000 0.000 0.242 180 I C 2.729 178.813 176.117 -0.054 0.000 1.064 180 I CA 2.319 63.585 61.300 -0.057 0.000 1.320 180 I CB -1.955 36.007 38.000 -0.063 0.000 1.028 180 I HN 0.524 nan 8.210 nan 0.000 0.406 181 T N -0.831 113.689 114.554 -0.055 0.000 2.788 181 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 181 T C 1.842 176.521 174.700 -0.034 0.000 1.044 181 T CA 1.172 63.265 62.100 -0.012 0.000 1.139 181 T CB -0.357 68.508 68.868 -0.004 0.000 0.867 181 T HN 0.353 nan 8.240 nan 0.000 0.454 182 K N 1.658 121.943 120.400 -0.191 0.000 2.002 182 K HA 0.105 4.425 4.320 -0.000 0.000 0.209 182 K C 2.901 179.357 176.600 -0.240 0.000 1.048 182 K CA 1.261 57.204 56.287 -0.574 0.000 0.930 182 K CB -0.634 31.448 32.500 -0.697 0.000 0.714 182 K HN 0.430 nan 8.250 nan 0.000 0.438 183 A N 1.657 124.408 122.820 -0.115 0.000 1.986 183 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 183 A C 2.122 179.704 177.584 -0.003 0.000 1.171 183 A CA 1.404 53.421 52.037 -0.034 0.000 0.640 183 A CB -0.737 18.252 19.000 -0.019 0.000 0.811 183 A HN 0.192 nan 8.150 nan 0.000 0.451 184 L N -0.697 120.523 121.223 -0.006 0.000 2.201 184 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 184 L C 2.295 179.196 176.870 0.052 0.000 1.105 184 L CA 0.557 55.414 54.840 0.029 0.000 0.775 184 L CB -0.486 41.590 42.059 0.027 0.000 0.913 184 L HN 0.220 nan 8.230 nan 0.000 0.440 185 V N -0.609 119.333 119.914 0.047 0.000 2.688 185 V HA -0.211 3.909 4.120 -0.000 0.000 0.256 185 V C 0.824 176.964 176.094 0.078 0.000 1.084 185 V CA 1.190 63.545 62.300 0.092 0.000 1.103 185 V CB -0.609 31.306 31.823 0.153 0.000 0.688 185 V HN 0.394 nan 8.190 nan 0.000 0.480 186 D N -0.376 120.063 120.400 0.064 0.000 2.347 186 D HA 0.165 4.805 4.640 -0.000 0.000 0.235 186 D C -1.749 174.593 176.300 0.069 0.000 1.149 186 D CA -2.535 51.498 54.000 0.055 0.000 0.850 186 D CB 1.771 42.603 40.800 0.052 0.000 1.061 186 D HN 0.083 nan 8.370 nan 0.000 0.487 187 P HA -0.110 nan 4.420 nan 0.000 0.222 187 P C 1.590 178.978 177.300 0.145 0.000 1.142 187 P CA 0.484 63.674 63.100 0.151 0.000 0.788 187 P CB 0.287 32.111 31.700 0.207 0.000 0.767 188 L N -0.991 120.294 121.223 0.103 0.000 2.056 188 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 188 L C 1.809 178.725 176.870 0.076 0.000 1.078 188 L CA 1.863 56.757 54.840 0.090 0.000 0.749 188 L CB -0.974 41.125 42.059 0.068 0.000 0.901 188 L HN 0.046 nan 8.230 nan 0.000 0.433 189 T N -0.476 114.118 114.554 0.066 0.000 2.720 189 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 189 T C 1.681 176.417 174.700 0.060 0.000 1.037 189 T CA 1.211 63.343 62.100 0.054 0.000 1.144 189 T CB -0.860 68.034 68.868 0.044 0.000 0.864 189 T HN 0.606 nan 8.240 nan 0.000 0.444 190 G N 1.220 110.066 108.800 0.077 0.000 2.549 190 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.222 190 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.222 190 G C 1.565 176.507 174.900 0.070 0.000 1.100 190 G CA 1.107 46.256 45.100 0.082 0.000 0.739 190 G HN 0.560 nan 8.290 nan 0.000 0.577 191 S N -0.350 115.389 115.700 0.064 0.000 2.603 191 S HA 0.290 4.760 4.470 -0.000 0.000 0.220 191 S C 0.679 175.302 174.600 0.039 0.000 0.967 191 S CA -0.064 58.165 58.200 0.049 0.000 0.920 191 S CB 0.156 63.385 63.200 0.049 0.000 0.773 191 S HN 0.235 nan 8.310 nan 0.000 0.529 192 L N 1.803 123.052 121.223 0.043 0.000 2.331 192 L HA 0.449 4.789 4.340 -0.000 0.000 0.275 192 L C -2.686 174.208 176.870 0.040 0.000 1.022 192 L CA -2.752 52.110 54.840 0.037 0.000 0.812 192 L CB 0.997 43.077 42.059 0.035 0.000 1.257 192 L HN -0.194 nan 8.230 nan 0.000 0.435 193 P HA -0.000 nan 4.420 nan 0.000 0.265 193 P C 0.151 177.474 177.300 0.039 0.000 1.193 193 P CA 0.071 63.191 63.100 0.033 0.000 0.765 193 P CB 0.964 32.675 31.700 0.018 0.000 0.823 194 A N 3.557 126.402 122.820 0.042 0.000 1.903 194 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 194 A C 2.262 179.878 177.584 0.054 0.000 1.191 194 A CA 2.646 54.706 52.037 0.039 0.000 0.638 194 A CB -1.803 17.212 19.000 0.024 0.000 0.823 194 A HN 0.626 nan 8.150 nan 0.000 0.451 195 S N 0.046 115.781 115.700 0.058 0.000 2.353 195 S HA -0.191 4.279 4.470 -0.000 0.000 0.222 195 S C 1.844 176.509 174.600 0.109 0.000 1.035 195 S CA 1.602 59.872 58.200 0.117 0.000 1.025 195 S CB -0.679 62.572 63.200 0.084 0.000 0.902 195 S HN 0.360 nan 8.310 nan 0.000 0.440 196 I N 2.620 123.232 120.570 0.071 0.000 2.090 196 I HA -0.119 4.051 4.170 -0.000 0.000 0.236 196 I C 2.622 178.767 176.117 0.046 0.000 1.064 196 I CA 1.191 62.525 61.300 0.057 0.000 1.324 196 I CB -1.479 36.547 38.000 0.042 0.000 1.044 196 I HN 0.324 nan 8.210 nan 0.000 0.399 197 I N 0.439 121.032 120.570 0.039 0.000 2.185 197 I HA -0.387 3.783 4.170 -0.000 0.000 0.246 197 I C 2.851 178.981 176.117 0.021 0.000 1.088 197 I CA 1.859 63.175 61.300 0.027 0.000 1.347 197 I CB -0.474 37.540 38.000 0.024 0.000 1.041 197 I HN 0.270 nan 8.210 nan 0.000 0.415 198 S N 0.342 116.063 115.700 0.035 0.000 2.348 198 S HA -0.180 4.290 4.470 -0.000 0.000 0.221 198 S C 2.205 176.820 174.600 0.025 0.000 1.033 198 S CA 1.472 59.690 58.200 0.030 0.000 1.010 198 S CB -0.243 62.999 63.200 0.070 0.000 0.891 198 S HN 0.478 nan 8.310 nan 0.000 0.442 199 A N 1.496 124.345 122.820 0.048 0.000 1.873 199 A HA 0.231 4.551 4.320 -0.000 0.000 0.215 199 A C 2.501 180.088 177.584 0.006 0.000 1.186 199 A CA 1.863 53.918 52.037 0.030 0.000 0.616 199 A CB -1.491 17.542 19.000 0.055 0.000 0.823 199 A HN 0.800 nan 8.150 nan 0.000 0.442 200 A N -0.438 122.389 122.820 0.013 0.000 1.917 200 A HA 0.021 4.341 4.320 -0.000 0.000 0.219 200 A C 2.388 179.967 177.584 -0.009 0.000 1.182 200 A CA 2.162 54.201 52.037 0.004 0.000 0.633 200 A CB -1.384 17.623 19.000 0.011 0.000 0.819 200 A HN 0.750 nan 8.150 nan 0.000 0.448 201 G N -1.186 107.607 108.800 -0.011 0.000 2.402 201 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 201 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 201 G C 1.592 176.472 174.900 -0.033 0.000 1.162 201 G CA 1.186 46.273 45.100 -0.022 0.000 0.777 201 G HN 0.520 nan 8.290 nan 0.000 0.539 202 C N 0.967 120.242 119.300 -0.041 0.000 2.386 202 C HA 0.031 4.491 4.460 -0.000 0.000 0.279 202 C C 3.539 178.475 174.990 -0.090 0.000 1.208 202 C CA 1.275 60.252 59.018 -0.069 0.000 1.747 202 C CB -1.095 26.603 27.740 -0.070 0.000 2.046 202 C HN 0.593 nan 8.230 nan 0.000 0.453 203 A N 0.182 122.960 122.820 -0.069 0.000 1.954 203 A HA -0.251 4.069 4.320 -0.000 0.000 0.222 203 A C 2.023 179.567 177.584 -0.066 0.000 1.199 203 A CA 2.164 54.161 52.037 -0.068 0.000 0.657 203 A CB -0.819 18.158 19.000 -0.039 0.000 0.823 203 A HN 0.698 nan 8.150 nan 0.000 0.463 204 L N -1.532 119.664 121.223 -0.045 0.000 2.291 204 L HA -0.046 4.294 4.340 -0.000 0.000 0.214 204 L C 2.200 179.051 176.870 -0.032 0.000 1.120 204 L CA 0.604 55.427 54.840 -0.029 0.000 0.799 204 L CB -0.216 41.838 42.059 -0.009 0.000 0.925 204 L HN 0.396 nan 8.230 nan 0.000 0.446 205 L N -1.834 119.350 121.223 -0.065 0.000 2.515 205 L HA 0.145 4.485 4.340 -0.000 0.000 0.202 205 L C 0.679 177.347 176.870 -0.336 0.000 1.056 205 L CA -0.119 54.682 54.840 -0.067 0.000 0.847 205 L CB 0.393 42.494 42.059 0.069 0.000 1.131 205 L HN -0.190 nan 8.230 nan 0.000 0.484 206 V N 3.850 123.447 119.914 -0.528 0.000 2.434 206 V HA 0.053 4.173 4.120 -0.000 0.000 0.281 206 V C -1.767 174.005 176.094 -0.537 0.000 1.005 206 V CA -1.025 60.730 62.300 -0.909 0.000 1.089 206 V CB -0.437 30.986 31.823 -0.666 0.000 0.978 206 V HN 0.153 nan 8.190 nan 0.000 0.474 207 P HA 0.149 nan 4.420 nan 0.000 0.271 207 P C 0.564 177.768 177.300 -0.161 0.000 1.218 207 P CA -0.210 62.772 63.100 -0.196 0.000 0.780 207 P CB 1.337 33.006 31.700 -0.051 0.000 0.901 208 A N 3.578 126.338 122.820 -0.100 0.000 2.125 208 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 208 A C 1.688 179.234 177.584 -0.064 0.000 1.156 208 A CA 1.679 53.667 52.037 -0.082 0.000 0.671 208 A CB -1.307 17.659 19.000 -0.056 0.000 0.794 208 A HN 0.734 nan 8.150 nan 0.000 0.459 209 N N -0.473 118.201 118.700 -0.044 0.000 2.409 209 N HA -0.036 4.704 4.740 -0.000 0.000 0.179 209 N C 0.655 176.141 175.510 -0.040 0.000 1.032 209 N CA 1.441 54.476 53.050 -0.026 0.000 0.898 209 N CB -0.438 38.052 38.487 0.005 0.000 0.971 209 N HN 0.194 nan 8.380 nan 0.000 0.441 210 V N 0.167 120.046 119.914 -0.058 0.000 3.596 210 V HA 0.305 4.425 4.120 -0.000 0.000 0.289 210 V C 0.370 176.403 176.094 -0.102 0.000 1.336 210 V CA 0.042 62.293 62.300 -0.082 0.000 1.137 210 V CB -0.919 30.897 31.823 -0.013 0.000 0.966 210 V HN 0.232 nan 8.190 nan 0.000 0.428 211 I N 2.048 122.561 120.570 -0.096 0.000 2.509 211 I HA 0.428 4.598 4.170 -0.000 0.000 0.293 211 I C -1.866 174.209 176.117 -0.070 0.000 1.020 211 I CA -2.101 59.144 61.300 -0.092 0.000 1.088 211 I CB 2.249 40.185 38.000 -0.108 0.000 1.267 211 I HN 0.036 nan 8.210 nan 0.000 0.430 212 P HA -0.050 nan 4.420 nan 0.000 0.274 212 P C -0.611 176.663 177.300 -0.044 0.000 1.248 212 P CA 0.117 63.188 63.100 -0.050 0.000 0.827 212 P CB 0.373 32.043 31.700 -0.049 0.000 0.972 220 V N 0.176 120.065 119.914 -0.042 0.000 2.283 220 V HA -0.082 4.038 4.120 -0.000 0.000 0.243 220 V C 2.909 178.979 176.094 -0.040 0.000 1.039 220 V CA 1.943 64.212 62.300 -0.053 0.000 1.016 220 V CB -0.572 31.211 31.823 -0.068 0.000 0.650 220 V HN 0.540 nan 8.190 nan 0.000 0.449 221 V N 1.437 121.334 119.914 -0.029 0.000 2.295 221 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 221 V C 0.268 176.358 176.094 -0.007 0.000 1.049 221 V CA 2.637 64.928 62.300 -0.016 0.000 1.024 221 V CB -1.784 30.033 31.823 -0.010 0.000 0.648 221 V HN 0.545 nan 8.190 nan 0.000 0.447 222 P HA -0.194 nan 4.420 nan 0.000 0.223 222 P C 1.549 178.848 177.300 -0.002 0.000 1.151 222 P CA 1.449 64.549 63.100 -0.001 0.000 0.787 222 P CB 0.181 31.878 31.700 -0.004 0.000 0.788 223 Q N 0.026 119.817 119.800 -0.014 0.000 2.049 223 Q HA -0.061 4.279 4.340 -0.000 0.000 0.198 223 Q C 2.423 178.412 176.000 -0.018 0.000 0.971 223 Q CA 1.045 56.834 55.803 -0.022 0.000 0.833 223 Q CB -0.507 28.206 28.738 -0.041 0.000 0.896 223 Q HN 0.155 nan 8.270 nan 0.000 0.434 224 L N 0.300 121.512 121.223 -0.018 0.000 2.027 224 L HA -0.124 4.216 4.340 -0.000 0.000 0.206 224 L C 2.610 179.502 176.870 0.037 0.000 1.074 224 L CA 1.003 55.841 54.840 -0.002 0.000 0.745 224 L CB -0.625 41.431 42.059 -0.005 0.000 0.898 224 L HN 0.322 nan 8.230 nan 0.000 0.433 225 A N -0.912 121.927 122.820 0.033 0.000 1.948 225 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 225 A C 2.534 180.154 177.584 0.059 0.000 1.177 225 A CA 2.205 54.270 52.037 0.047 0.000 0.636 225 A CB -0.714 18.305 19.000 0.032 0.000 0.815 225 A HN 0.400 nan 8.150 nan 0.000 0.449 226 S N -0.765 114.962 115.700 0.045 0.000 2.402 226 S HA -0.060 4.410 4.470 -0.000 0.000 0.229 226 S C 1.851 176.500 174.600 0.081 0.000 1.021 226 S CA 1.190 59.421 58.200 0.051 0.000 0.974 226 S CB -0.492 62.725 63.200 0.028 0.000 0.800 226 S HN 0.509 nan 8.310 nan 0.000 0.484 227 I N 1.083 121.703 120.570 0.083 0.000 2.193 227 I HA -0.105 4.065 4.170 -0.000 0.000 0.240 227 I C 2.087 178.371 176.117 0.278 0.000 1.084 227 I CA 1.008 62.386 61.300 0.130 0.000 1.365 227 I CB -0.357 37.662 38.000 0.032 0.000 1.064 227 I HN 0.270 nan 8.210 nan 0.000 0.410 228 L N 0.719 122.097 121.223 0.259 0.000 2.265 228 L HA -0.080 4.260 4.340 -0.000 0.000 0.215 228 L C 1.606 178.594 176.870 0.197 0.000 1.117 228 L CA 1.016 56.032 54.840 0.293 0.000 0.782 228 L CB -0.954 41.224 42.059 0.199 0.000 0.914 228 L HN 0.618 nan 8.230 nan 0.000 0.441 229 G N -0.180 108.712 108.800 0.155 0.000 2.147 229 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.244 229 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.244 229 G C 0.317 175.265 174.900 0.080 0.000 1.005 229 G CA 0.191 45.360 45.100 0.115 0.000 0.713 229 G HN 0.506 nan 8.290 nan 0.000 0.515 230 C N -1.353 117.991 119.300 0.073 0.000 2.484 230 C HA 0.868 5.328 4.460 -0.000 0.000 0.409 230 C C 0.461 175.477 174.990 0.042 0.000 1.434 230 C CA -1.137 57.912 59.018 0.052 0.000 1.913 230 C CB 1.004 28.774 27.740 0.051 0.000 2.028 230 C HN 0.350 nan 8.230 nan 0.000 0.516 231 D N -0.095 120.325 120.400 0.032 0.000 2.283 231 D HA 0.404 5.044 4.640 -0.000 0.000 0.248 231 D C 1.089 177.403 176.300 0.024 0.000 1.072 231 D CA -0.500 53.516 54.000 0.026 0.000 0.929 231 D CB 1.404 42.217 40.800 0.021 0.000 1.182 231 D HN 0.343 nan 8.370 nan 0.000 0.433 232 V N 1.358 121.284 119.914 0.020 0.000 2.407 232 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 232 V C 2.257 178.359 176.094 0.014 0.000 1.055 232 V CA 2.161 64.471 62.300 0.016 0.000 1.049 232 V CB -0.752 31.077 31.823 0.011 0.000 0.662 232 V HN 0.701 nan 8.190 nan 0.000 0.455 233 S N 0.112 115.821 115.700 0.014 0.000 2.356 233 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 233 S C 1.966 176.575 174.600 0.015 0.000 1.032 233 S CA 1.612 59.820 58.200 0.013 0.000 1.005 233 S CB -0.732 62.475 63.200 0.012 0.000 0.867 233 S HN 0.327 nan 8.310 nan 0.000 0.449 234 V N 2.094 122.019 119.914 0.017 0.000 2.255 234 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 234 V C 2.548 178.655 176.094 0.021 0.000 1.051 234 V CA 1.934 64.245 62.300 0.019 0.000 1.018 234 V CB -1.002 30.834 31.823 0.022 0.000 0.641 234 V HN 0.470 nan 8.190 nan 0.000 0.445 235 L N -0.319 120.918 121.223 0.023 0.000 2.046 235 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 235 L C 2.482 179.362 176.870 0.016 0.000 1.077 235 L CA 1.865 56.718 54.840 0.023 0.000 0.747 235 L CB -0.802 41.272 42.059 0.024 0.000 0.896 235 L HN 0.243 nan 8.230 nan 0.000 0.432 236 Q N -0.186 119.622 119.800 0.013 0.000 2.061 236 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 236 Q C 2.315 178.322 176.000 0.011 0.000 0.984 236 Q CA 1.858 57.667 55.803 0.010 0.000 0.846 236 Q CB -0.684 28.059 28.738 0.008 0.000 0.902 236 Q HN 0.663 nan 8.270 nan 0.000 0.421 237 A N 0.925 123.753 122.820 0.014 0.000 1.873 237 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 237 A C 2.324 179.918 177.584 0.017 0.000 1.193 237 A CA 2.552 54.598 52.037 0.015 0.000 0.629 237 A CB -0.959 18.051 19.000 0.016 0.000 0.826 237 A HN 0.414 nan 8.150 nan 0.000 0.447 238 A N -0.715 122.116 122.820 0.018 0.000 1.908 238 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 238 A C 2.259 179.852 177.584 0.016 0.000 1.181 238 A CA 1.968 54.016 52.037 0.020 0.000 0.627 238 A CB -1.046 17.968 19.000 0.022 0.000 0.818 238 A HN 0.448 nan 8.150 nan 0.000 0.445 239 V N -0.218 119.704 119.914 0.013 0.000 2.220 239 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 239 V C 2.528 178.628 176.094 0.011 0.000 1.049 239 V CA 2.457 64.762 62.300 0.008 0.000 1.003 239 V CB -0.978 30.847 31.823 0.004 0.000 0.634 239 V HN 0.560 nan 8.190 nan 0.000 0.444 240 E N -0.031 120.176 120.200 0.011 0.000 2.086 240 E HA -0.307 4.043 4.350 -0.000 0.000 0.205 240 E C 2.265 178.875 176.600 0.016 0.000 1.027 240 E CA 2.249 58.656 56.400 0.013 0.000 0.830 240 E CB -0.448 29.260 29.700 0.013 0.000 0.751 240 E HN 0.710 nan 8.360 nan 0.000 0.456 241 Q N -0.058 119.754 119.800 0.018 0.000 1.993 241 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 241 Q C 2.306 178.319 176.000 0.023 0.000 0.984 241 Q CA 1.846 57.663 55.803 0.022 0.000 0.837 241 Q CB -0.303 28.450 28.738 0.025 0.000 0.902 241 Q HN 0.357 nan 8.270 nan 0.000 0.423 242 I N 0.848 121.430 120.570 0.020 0.000 2.264 242 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 242 I C 2.396 178.523 176.117 0.017 0.000 1.111 242 I CA 0.559 61.870 61.300 0.017 0.000 1.382 242 I CB -0.342 37.665 38.000 0.012 0.000 1.060 242 I HN 0.372 nan 8.210 nan 0.000 0.418 243 L N 0.564 121.797 121.223 0.016 0.000 1.990 243 L HA -0.233 4.107 4.340 -0.000 0.000 0.213 243 L C 2.449 179.333 176.870 0.024 0.000 1.072 243 L CA 2.279 57.130 54.840 0.018 0.000 0.755 243 L CB -1.288 40.780 42.059 0.016 0.000 0.889 243 L HN 0.168 nan 8.230 nan 0.000 0.432 244 T N -0.352 114.216 114.554 0.024 0.000 2.622 244 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 244 T C 1.920 176.641 174.700 0.034 0.000 1.047 244 T CA 1.954 64.071 62.100 0.028 0.000 1.159 244 T CB -0.588 68.296 68.868 0.026 0.000 0.863 244 T HN 0.502 nan 8.240 nan 0.000 0.422 245 S N 1.080 116.801 115.700 0.034 0.000 2.368 245 S HA -0.152 4.318 4.470 -0.000 0.000 0.226 245 S C 2.334 176.964 174.600 0.051 0.000 1.044 245 S CA 1.404 59.629 58.200 0.041 0.000 1.062 245 S CB -0.833 62.388 63.200 0.034 0.000 0.931 245 S HN 0.315 nan 8.310 nan 0.000 0.440 246 V N 1.800 121.736 119.914 0.037 0.000 2.343 246 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 246 V C 2.453 178.596 176.094 0.080 0.000 1.051 246 V CA 1.945 64.269 62.300 0.041 0.000 1.036 246 V CB -1.105 30.727 31.823 0.015 0.000 0.654 246 V HN 0.445 nan 8.190 nan 0.000 0.451 247 S N 0.576 116.312 115.700 0.060 0.000 2.374 247 S HA -0.279 4.191 4.470 -0.000 0.000 0.227 247 S C 1.623 176.260 174.600 0.062 0.000 1.037 247 S CA 2.031 60.265 58.200 0.057 0.000 1.024 247 S CB -0.571 62.652 63.200 0.039 0.000 0.861 247 S HN 0.723 nan 8.310 nan 0.000 0.456 248 D N 0.381 120.819 120.400 0.063 0.000 2.218 248 D HA -0.017 4.623 4.640 -0.000 0.000 0.204 248 D C 0.427 176.753 176.300 0.043 0.000 0.976 248 D CA 0.332 54.361 54.000 0.048 0.000 0.853 248 D CB -0.326 40.506 40.800 0.053 0.000 0.939 248 D HN 0.311 nan 8.370 nan 0.000 0.481 249 F N 1.500 121.410 119.950 -0.067 0.000 2.612 249 F HA 0.120 4.647 4.527 0.000 0.000 0.389 249 F C 0.010 175.746 175.800 -0.106 0.000 1.055 249 F CA 0.026 57.954 58.000 -0.120 0.000 1.232 249 F CB 0.331 39.222 39.000 -0.181 0.000 1.044 249 F HN -0.226 nan 8.300 nan 0.000 0.560 250 D N 5.729 125.631 120.400 -0.830 0.000 2.354 250 D HA 0.148 4.788 4.640 -0.000 0.000 0.230 250 D C 0.068 175.988 176.300 -0.634 0.000 1.361 250 D CA -0.394 53.259 54.000 -0.577 0.000 0.992 250 D CB 0.428 41.076 40.800 -0.252 0.000 1.409 250 D HN 0.529 nan 8.370 nan 0.000 0.573 251 L N 2.254 123.085 121.223 -0.653 0.000 2.651 251 L HA 0.008 4.348 4.340 -0.000 0.000 0.236 251 L C 0.993 177.757 176.870 -0.177 0.000 1.173 251 L CA 0.689 55.296 54.840 -0.388 0.000 0.843 251 L CB -0.375 41.563 42.059 -0.202 0.000 0.964 251 L HN 0.224 nan 8.230 nan 0.000 0.454 252 R N 1.285 121.687 120.500 -0.163 0.000 2.605 252 R HA 0.208 4.548 4.340 -0.000 0.000 0.271 252 R C 0.506 176.775 176.300 -0.052 0.000 1.418 252 R CA -0.274 55.778 56.100 -0.080 0.000 1.102 252 R CB -0.369 29.890 30.300 -0.069 0.000 1.131 252 R HN 0.157 nan 8.270 nan 0.000 0.554 253 I N 0.000 120.558 120.570 -0.020 0.000 2.984 253 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 253 I CA 0.000 61.308 61.300 0.014 0.000 1.566 253 I CB 0.000 38.015 38.000 0.025 0.000 1.214 253 I HN 0.000 nan 8.210 nan 0.000 0.494