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 1tnu_1_L DATA FIRST_RESID 18 DATA SEQUENCE LDFLRDRHVR FFQRCLQVLP ERYSSLETSR LTIAFFALSG LDMLDSLDVV DATA SEQUENCE NKDDIIEWIY SLQVLPTEDR SNLDRCGFRG SSYLGIPFNP SKNPGTAHPY DATA SEQUENCE DSGHIAMTYT GLSCLIILGD DLSRVDKEAC LAGLRALQLE DGSFCAVPEG DATA SEQUENCE SENDMRFVYC ASCICYMLNN WSGMDMKKAI SYIRRSMSYD NGLAQGAGLE DATA SEQUENCE SHGGSTFCGI ASLCLMGKLE EVFSEKELNR IKRWCIMRQQ NGYHGRPNKP DATA SEQUENCE VDTCYSFWVG ATLKLLKIFQ YTNFEKNRNY ILSTQDRLVG GFAKWPDSHP DATA SEQUENCE DALHAYFGIC GLSLMEESGI CKVHPALNVS TRTSERLRDL HQSWKT 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 18 L HA 0.000 nan 4.340 nan 0.000 0.249 18 L C 0.000 176.924 176.870 0.089 0.000 1.165 18 L CA 0.000 54.877 54.840 0.062 0.000 0.813 18 L CB 0.000 42.091 42.059 0.053 0.000 0.961 19 D N -0.419 120.034 120.400 0.089 0.000 2.326 19 D HA 0.345 4.986 4.640 0.002 0.000 0.248 19 D C -0.805 175.617 176.300 0.202 0.000 1.001 19 D CA -0.364 53.714 54.000 0.129 0.000 0.961 19 D CB 1.637 42.486 40.800 0.082 0.000 1.183 19 D HN 0.202 nan 8.370 nan 0.000 0.502 20 F N 1.026 121.021 119.950 0.076 0.000 2.413 20 F HA 0.251 4.779 4.527 0.002 0.000 0.359 20 F C -0.331 175.517 175.800 0.080 0.000 1.122 20 F CA -1.234 56.844 58.000 0.131 0.000 1.160 20 F CB 0.456 39.543 39.000 0.144 0.000 1.146 20 F HN 0.131 nan 8.300 nan 0.000 0.514 21 L N 7.893 128.864 121.223 -0.420 0.000 2.672 21 L HA 0.181 4.522 4.340 0.002 0.000 0.238 21 L C 1.939 178.298 176.870 -0.851 0.000 1.392 21 L CA 0.453 54.945 54.840 -0.579 0.000 1.238 21 L CB -1.356 40.349 42.059 -0.589 0.000 1.548 21 L HN 0.704 nan 8.230 nan 0.000 0.423 22 R N 0.334 120.343 120.500 -0.818 0.000 2.136 22 R HA -0.239 4.102 4.340 0.002 0.000 0.242 22 R C 1.323 177.460 176.300 -0.271 0.000 1.131 22 R CA 2.334 58.112 56.100 -0.537 0.000 0.937 22 R CB 0.121 30.349 30.300 -0.119 0.000 0.863 22 R HN 0.454 nan 8.270 nan 0.000 0.435 23 D N -0.391 119.880 120.400 -0.216 0.000 2.123 23 D HA -0.204 4.437 4.640 0.002 0.000 0.196 23 D C 1.988 178.176 176.300 -0.187 0.000 0.992 23 D CA 1.244 55.157 54.000 -0.144 0.000 0.833 23 D CB -0.301 40.430 40.800 -0.115 0.000 0.954 23 D HN 0.334 nan 8.370 nan 0.000 0.455 24 R N -0.166 120.135 120.500 -0.332 0.000 2.120 24 R HA -0.132 4.210 4.340 0.002 0.000 0.234 24 R C 2.116 178.210 176.300 -0.343 0.000 1.123 24 R CA 1.054 56.938 56.100 -0.359 0.000 0.975 24 R CB -0.003 30.004 30.300 -0.488 0.000 0.866 24 R HN 0.311 nan 8.270 nan 0.000 0.446 25 H N -0.695 118.222 119.070 -0.255 0.000 2.462 25 H HA -0.036 4.522 4.556 0.002 0.000 0.292 25 H C 2.137 177.400 175.328 -0.108 0.000 1.049 25 H CA 1.249 57.128 56.048 -0.281 0.000 1.334 25 H CB -0.019 29.573 29.762 -0.282 0.000 1.404 25 H HN 0.061 nan 8.280 nan 0.000 0.544 26 V N 1.373 121.340 119.914 0.088 0.000 2.307 26 V HA -0.203 3.918 4.120 0.002 0.000 0.245 26 V C 2.643 178.804 176.094 0.111 0.000 1.045 26 V CA 1.403 63.802 62.300 0.166 0.000 1.024 26 V CB -0.215 31.666 31.823 0.096 0.000 0.651 26 V HN 0.292 nan 8.190 nan 0.000 0.449 27 R N -0.762 119.752 120.500 0.024 0.000 2.091 27 R HA -0.163 4.178 4.340 0.002 0.000 0.238 27 R C 2.181 178.481 176.300 0.000 0.000 1.136 27 R CA 1.811 57.910 56.100 -0.003 0.000 0.959 27 R CB -1.004 29.271 30.300 -0.042 0.000 0.856 27 R HN 0.573 nan 8.270 nan 0.000 0.437 28 F N 0.595 120.451 119.950 -0.156 0.000 2.075 28 F HA -0.193 4.335 4.527 0.002 0.000 0.297 28 F C 2.077 177.795 175.800 -0.137 0.000 1.113 28 F CA 1.524 59.401 58.000 -0.204 0.000 1.218 28 F CB -0.536 38.270 39.000 -0.324 0.000 0.984 28 F HN -0.116 nan 8.300 nan 0.000 0.472 29 F N 0.459 120.515 119.950 0.177 0.000 2.126 29 F HA -0.275 4.254 4.527 0.003 0.000 0.299 29 F C 2.735 178.480 175.800 -0.092 0.000 1.096 29 F CA 1.412 59.437 58.000 0.043 0.000 1.255 29 F CB -0.755 38.304 39.000 0.098 0.000 0.997 29 F HN 0.106 nan 8.300 nan 0.000 0.479 30 Q N 0.885 120.752 119.800 0.112 0.000 2.061 30 Q HA -0.269 4.072 4.340 0.002 0.000 0.204 30 Q C 2.355 178.306 176.000 -0.082 0.000 0.984 30 Q CA 1.741 57.547 55.803 0.005 0.000 0.846 30 Q CB -0.209 28.528 28.738 -0.001 0.000 0.902 30 Q HN 0.302 nan 8.270 nan 0.000 0.421 31 R N -0.587 119.826 120.500 -0.145 0.000 2.081 31 R HA -0.149 4.192 4.340 0.002 0.000 0.235 31 R C 2.295 178.442 176.300 -0.254 0.000 1.131 31 R CA 1.703 57.676 56.100 -0.213 0.000 0.960 31 R CB -0.383 29.745 30.300 -0.285 0.000 0.856 31 R HN 0.437 nan 8.270 nan 0.000 0.436 32 C N 0.403 119.524 119.300 -0.299 0.000 2.425 32 C HA -0.056 4.406 4.460 0.002 0.000 0.277 32 C C 2.244 177.125 174.990 -0.182 0.000 1.280 32 C CA 0.200 59.060 59.018 -0.262 0.000 1.744 32 C CB -0.790 26.847 27.740 -0.172 0.000 1.989 32 C HN 0.454 nan 8.230 nan 0.000 0.491 33 L N 0.696 121.829 121.223 -0.149 0.000 2.478 33 L HA -0.011 4.330 4.340 0.002 0.000 0.223 33 L C 2.157 178.906 176.870 -0.201 0.000 1.140 33 L CA 1.440 56.175 54.840 -0.175 0.000 0.842 33 L CB -1.468 40.504 42.059 -0.146 0.000 0.953 33 L HN 0.573 nan 8.230 nan 0.000 0.452 34 Q N -1.223 118.473 119.800 -0.173 0.000 1.738 34 Q HA 0.169 4.510 4.340 0.002 0.000 0.471 34 Q C -0.171 175.738 176.000 -0.152 0.000 0.931 34 Q CA 0.297 56.005 55.803 -0.158 0.000 0.869 34 Q CB 0.237 28.898 28.738 -0.129 0.000 1.561 34 Q HN 0.081 nan 8.270 nan 0.000 0.400 35 V N 1.136 120.972 119.914 -0.130 0.000 2.735 35 V HA 0.418 4.539 4.120 0.002 0.000 0.310 35 V C -0.937 175.097 176.094 -0.101 0.000 1.061 35 V CA -0.589 61.650 62.300 -0.101 0.000 0.913 35 V CB 1.914 33.694 31.823 -0.071 0.000 1.005 35 V HN 0.273 nan 8.190 nan 0.000 0.428 36 L N 4.505 125.688 121.223 -0.066 0.000 2.354 36 L HA 0.635 4.977 4.340 0.002 0.000 0.269 36 L C -2.404 174.521 176.870 0.093 0.000 1.005 36 L CA -1.834 52.982 54.840 -0.039 0.000 0.819 36 L CB 1.854 43.854 42.059 -0.098 0.000 1.311 36 L HN 0.436 nan 8.230 nan 0.000 0.423 37 P HA 0.036 nan 4.420 nan 0.000 0.270 37 P C 0.391 177.795 177.300 0.174 0.000 1.223 37 P CA -0.375 62.828 63.100 0.173 0.000 0.785 37 P CB 0.666 32.483 31.700 0.195 0.000 0.923 38 E N 1.462 121.710 120.200 0.082 0.000 2.331 38 E HA -0.247 4.104 4.350 0.002 0.000 0.199 38 E C 1.530 178.137 176.600 0.012 0.000 1.008 38 E CA 0.628 57.061 56.400 0.054 0.000 0.843 38 E CB 0.038 29.755 29.700 0.029 0.000 0.761 38 E HN 0.347 nan 8.360 nan 0.000 0.507 39 R N -0.784 119.680 120.500 -0.060 0.000 2.328 39 R HA -0.128 4.213 4.340 0.002 0.000 0.207 39 R C 0.592 176.666 176.300 -0.377 0.000 1.056 39 R CA 1.069 57.032 56.100 -0.228 0.000 1.016 39 R CB -0.294 29.814 30.300 -0.320 0.000 0.872 39 R HN 0.237 nan 8.270 nan 0.000 0.471 40 Y N 1.297 121.616 120.300 0.032 0.000 2.571 40 Y HA 0.156 4.708 4.550 0.002 0.000 0.275 40 Y C 2.007 177.927 175.900 0.034 0.000 1.179 40 Y CA 0.052 58.176 58.100 0.040 0.000 1.242 40 Y CB 0.684 39.166 38.460 0.036 0.000 1.126 40 Y HN 0.223 nan 8.280 nan 0.000 0.524 41 S N -0.605 115.152 115.700 0.095 0.000 2.420 41 S HA -0.252 4.219 4.470 0.002 0.000 0.237 41 S C 1.985 176.616 174.600 0.052 0.000 1.023 41 S CA 1.519 59.760 58.200 0.069 0.000 0.991 41 S CB -0.747 62.476 63.200 0.037 0.000 0.792 41 S HN 0.487 nan 8.310 nan 0.000 0.488 42 S N 0.899 116.630 115.700 0.053 0.000 2.607 42 S HA 0.251 4.722 4.470 0.002 0.000 0.224 42 S C 1.361 175.993 174.600 0.054 0.000 0.969 42 S CA 0.143 58.367 58.200 0.041 0.000 0.927 42 S CB -0.602 62.625 63.200 0.045 0.000 0.772 42 S HN 0.580 nan 8.310 nan 0.000 0.533 43 L N 0.376 121.652 121.223 0.088 0.000 2.585 43 L HA 0.281 4.622 4.340 0.002 0.000 0.226 43 L C 2.451 179.348 176.870 0.044 0.000 1.113 43 L CA 0.226 55.121 54.840 0.092 0.000 0.876 43 L CB -0.235 41.916 42.059 0.154 0.000 1.072 43 L HN 0.240 nan 8.230 nan 0.000 0.468 44 E N 1.363 121.576 120.200 0.021 0.000 2.068 44 E HA -0.290 4.062 4.350 0.002 0.000 0.207 44 E C 1.994 178.552 176.600 -0.071 0.000 1.032 44 E CA 2.530 58.929 56.400 -0.002 0.000 0.839 44 E CB -0.262 29.423 29.700 -0.025 0.000 0.758 44 E HN 0.414 nan 8.360 nan 0.000 0.457 45 T N -2.811 111.612 114.554 -0.219 0.000 3.160 45 T HA 0.108 4.459 4.350 0.002 0.000 0.257 45 T C 1.064 175.666 174.700 -0.162 0.000 1.147 45 T CA 0.745 62.651 62.100 -0.324 0.000 1.064 45 T CB -0.071 68.483 68.868 -0.524 0.000 0.949 45 T HN 0.013 nan 8.240 nan 0.000 0.526 46 S N 0.179 115.833 115.700 -0.077 0.000 2.855 46 S HA 0.334 4.806 4.470 0.002 0.000 0.249 46 S C 1.445 176.049 174.600 0.006 0.000 1.033 46 S CA -0.738 57.427 58.200 -0.057 0.000 1.038 46 S CB 0.257 63.445 63.200 -0.020 0.000 0.960 46 S HN 0.405 nan 8.310 nan 0.000 0.548 47 R N 0.889 121.429 120.500 0.066 0.000 2.105 47 R HA -0.064 4.277 4.340 0.002 0.000 0.239 47 R C 2.018 178.431 176.300 0.189 0.000 1.135 47 R CA 1.080 57.266 56.100 0.144 0.000 0.967 47 R CB -0.400 30.047 30.300 0.245 0.000 0.861 47 R HN 0.272 nan 8.270 nan 0.000 0.442 48 L N 0.914 122.228 121.223 0.151 0.000 2.083 48 L HA -0.158 4.183 4.340 0.002 0.000 0.209 48 L C 2.369 179.205 176.870 -0.056 0.000 1.083 48 L CA 2.358 57.252 54.840 0.090 0.000 0.752 48 L CB -0.894 41.114 42.059 -0.085 0.000 0.899 48 L HN 0.299 nan 8.230 nan 0.000 0.433 49 T N -3.418 111.044 114.554 -0.153 0.000 2.951 49 T HA -0.075 4.276 4.350 0.002 0.000 0.268 49 T C 1.940 176.343 174.700 -0.496 0.000 1.073 49 T CA 0.875 62.761 62.100 -0.358 0.000 1.134 49 T CB -0.392 68.259 68.868 -0.362 0.000 0.884 49 T HN 0.196 nan 8.240 nan 0.000 0.479 50 I N 2.196 122.654 120.570 -0.188 0.000 2.315 50 I HA 0.055 4.226 4.170 0.002 0.000 0.248 50 I C 3.099 179.174 176.117 -0.069 0.000 1.117 50 I CA 1.034 62.310 61.300 -0.040 0.000 1.404 50 I CB -1.732 36.300 38.000 0.054 0.000 1.071 50 I HN 0.397 nan 8.210 nan 0.000 0.419 51 A N 0.877 123.666 122.820 -0.052 0.000 1.902 51 A HA -0.268 4.053 4.320 0.002 0.000 0.217 51 A C 2.297 179.789 177.584 -0.153 0.000 1.181 51 A CA 1.465 53.471 52.037 -0.051 0.000 0.623 51 A CB -1.114 17.959 19.000 0.122 0.000 0.818 51 A HN 0.385 nan 8.150 nan 0.000 0.443 52 F N -0.003 119.736 119.950 -0.352 0.000 2.095 52 F HA -0.192 4.336 4.527 0.002 0.000 0.298 52 F C 1.964 177.413 175.800 -0.586 0.000 1.104 52 F CA 1.694 59.397 58.000 -0.496 0.000 1.232 52 F CB -0.569 38.044 39.000 -0.645 0.000 0.987 52 F HN 0.256 nan 8.300 nan 0.000 0.475 53 F N 0.172 119.689 119.950 -0.721 0.000 2.126 53 F HA -0.208 4.321 4.527 0.002 0.000 0.299 53 F C 2.591 177.873 175.800 -0.864 0.000 1.096 53 F CA 0.650 58.068 58.000 -0.970 0.000 1.255 53 F CB -0.783 38.010 39.000 -0.347 0.000 0.997 53 F HN 0.141 nan 8.300 nan 0.000 0.479 54 A N 0.191 122.806 122.820 -0.341 0.000 1.898 54 A HA -0.036 4.286 4.320 0.002 0.000 0.214 54 A C 2.113 179.355 177.584 -0.570 0.000 1.183 54 A CA 0.913 52.714 52.037 -0.393 0.000 0.622 54 A CB -0.827 18.149 19.000 -0.041 0.000 0.824 54 A HN 0.338 nan 8.150 nan 0.000 0.444 55 L N -0.972 119.980 121.223 -0.452 0.000 2.044 55 L HA -0.101 4.240 4.340 0.002 0.000 0.205 55 L C 2.868 179.467 176.870 -0.451 0.000 1.075 55 L CA 1.477 56.100 54.840 -0.362 0.000 0.747 55 L CB -0.465 41.449 42.059 -0.243 0.000 0.903 55 L HN 0.458 nan 8.230 nan 0.000 0.435 56 S N -0.009 115.273 115.700 -0.697 0.000 2.402 56 S HA -0.104 4.367 4.470 0.002 0.000 0.229 56 S C 1.986 176.321 174.600 -0.442 0.000 1.021 56 S CA 1.231 59.051 58.200 -0.634 0.000 0.974 56 S CB -0.355 62.119 63.200 -1.209 0.000 0.800 56 S HN 0.508 nan 8.310 nan 0.000 0.484 57 G N 1.607 109.982 108.800 -0.708 0.000 2.421 57 G HA2 -0.106 3.856 3.960 0.002 0.000 0.216 57 G HA3 -0.106 3.856 3.960 0.002 0.000 0.216 57 G C 1.410 176.004 174.900 -0.510 0.000 1.171 57 G CA 0.843 45.475 45.100 -0.780 0.000 0.775 57 G HN 0.504 nan 8.290 nan 0.000 0.543 58 L N 0.380 121.301 121.223 -0.502 0.000 2.046 58 L HA -0.094 4.247 4.340 0.002 0.000 0.208 58 L C 2.613 179.440 176.870 -0.071 0.000 1.077 58 L CA 1.478 56.243 54.840 -0.126 0.000 0.747 58 L CB -0.387 41.617 42.059 -0.092 0.000 0.896 58 L HN 0.218 nan 8.230 nan 0.000 0.432 59 D N 0.057 120.380 120.400 -0.128 0.000 2.092 59 D HA -0.282 4.359 4.640 0.002 0.000 0.193 59 D C 2.126 178.405 176.300 -0.035 0.000 0.994 59 D CA 1.541 55.496 54.000 -0.074 0.000 0.828 59 D CB -0.010 40.731 40.800 -0.098 0.000 0.963 59 D HN 0.031 nan 8.370 nan 0.000 0.450 60 M N -0.429 119.143 119.600 -0.046 0.000 2.267 60 M HA 0.008 4.490 4.480 0.002 0.000 0.263 60 M C 1.442 177.765 176.300 0.038 0.000 1.063 60 M CA 1.177 56.467 55.300 -0.017 0.000 1.090 60 M CB -0.049 32.521 32.600 -0.051 0.000 1.392 60 M HN 0.124 nan 8.290 nan 0.000 0.422 61 L N -1.270 120.001 121.223 0.080 0.000 2.628 61 L HA 0.119 4.460 4.340 0.002 0.000 0.229 61 L C 0.144 177.075 176.870 0.101 0.000 1.137 61 L CA -0.224 54.705 54.840 0.149 0.000 0.909 61 L CB -0.346 41.858 42.059 0.242 0.000 1.137 61 L HN 0.221 nan 8.230 nan 0.000 0.470 62 D N 0.720 121.154 120.400 0.056 0.000 2.737 62 D HA -0.197 4.444 4.640 0.002 0.000 0.238 62 D C 0.107 176.433 176.300 0.043 0.000 1.157 62 D CA 0.671 54.695 54.000 0.040 0.000 0.694 62 D CB -0.742 40.084 40.800 0.043 0.000 1.021 62 D HN 0.222 nan 8.370 nan 0.000 0.420 63 S N 0.135 115.858 115.700 0.038 0.000 3.093 63 S HA 0.173 4.645 4.470 0.002 0.000 0.251 63 S C 1.481 176.093 174.600 0.019 0.000 0.905 63 S CA -0.582 57.641 58.200 0.038 0.000 1.124 63 S CB 0.183 63.423 63.200 0.067 0.000 1.124 63 S HN 0.390 nan 8.310 nan 0.000 0.574 64 L N 2.144 123.368 121.223 0.001 0.000 2.450 64 L HA -0.127 4.214 4.340 0.002 0.000 0.224 64 L C 2.157 179.024 176.870 -0.005 0.000 1.149 64 L CA 1.180 56.011 54.840 -0.014 0.000 0.816 64 L CB -0.271 41.774 42.059 -0.023 0.000 0.932 64 L HN 0.502 nan 8.230 nan 0.000 0.449 65 D N 0.028 120.430 120.400 0.003 0.000 2.218 65 D HA -0.161 4.480 4.640 0.002 0.000 0.204 65 D C 1.836 178.137 176.300 0.002 0.000 0.976 65 D CA 1.483 55.486 54.000 0.004 0.000 0.853 65 D CB -0.452 40.353 40.800 0.008 0.000 0.939 65 D HN 0.408 nan 8.370 nan 0.000 0.481 66 V N -0.424 119.493 119.914 0.004 0.000 3.444 66 V HA 0.042 4.163 4.120 0.002 0.000 0.271 66 V C 0.917 177.006 176.094 -0.009 0.000 1.188 66 V CA 0.359 62.659 62.300 0.000 0.000 1.168 66 V CB -1.237 30.591 31.823 0.008 0.000 0.810 66 V HN 0.207 nan 8.190 nan 0.000 0.500 67 V N -2.362 117.545 119.914 -0.012 0.000 3.074 67 V HA 0.617 4.738 4.120 0.002 0.000 0.314 67 V C -0.224 175.863 176.094 -0.012 0.000 1.117 67 V CA -0.989 61.299 62.300 -0.020 0.000 1.014 67 V CB 1.859 33.663 31.823 -0.031 0.000 1.057 67 V HN 0.243 nan 8.190 nan 0.000 0.438 68 N N 1.887 120.580 118.700 -0.012 0.000 2.555 68 N HA 0.258 4.999 4.740 0.002 0.000 0.244 68 N C 0.819 176.339 175.510 0.017 0.000 1.114 68 N CA -0.014 53.038 53.050 0.003 0.000 0.963 68 N CB 0.816 39.304 38.487 0.002 0.000 1.276 68 N HN 0.810 nan 8.380 nan 0.000 0.510 69 K N 1.556 121.968 120.400 0.021 0.000 2.044 69 K HA -0.166 4.156 4.320 0.002 0.000 0.210 69 K C 0.785 177.422 176.600 0.063 0.000 1.049 69 K CA 1.478 57.785 56.287 0.034 0.000 0.927 69 K CB 0.176 32.693 32.500 0.028 0.000 0.713 69 K HN 0.521 nan 8.250 nan 0.000 0.443 70 D N 1.173 121.611 120.400 0.063 0.000 2.123 70 D HA -0.172 4.469 4.640 0.002 0.000 0.196 70 D C 1.557 177.925 176.300 0.114 0.000 0.992 70 D CA 1.304 55.356 54.000 0.086 0.000 0.833 70 D CB -0.273 40.568 40.800 0.068 0.000 0.954 70 D HN 0.206 nan 8.370 nan 0.000 0.455 71 D N 0.793 121.249 120.400 0.094 0.000 2.084 71 D HA -0.080 4.561 4.640 0.002 0.000 0.194 71 D C 2.364 178.771 176.300 0.178 0.000 0.990 71 D CA 0.417 54.487 54.000 0.116 0.000 0.826 71 D CB -0.387 40.448 40.800 0.059 0.000 0.971 71 D HN 0.275 nan 8.370 nan 0.000 0.453 72 I N 0.763 121.416 120.570 0.139 0.000 2.286 72 I HA -0.224 3.947 4.170 0.002 0.000 0.248 72 I C 2.371 178.645 176.117 0.261 0.000 1.115 72 I CA 0.708 62.126 61.300 0.196 0.000 1.392 72 I CB -0.186 37.874 38.000 0.100 0.000 1.065 72 I HN -0.014 nan 8.210 nan 0.000 0.418 73 I N 0.441 121.123 120.570 0.187 0.000 2.286 73 I HA -0.246 3.926 4.170 0.002 0.000 0.248 73 I C 2.519 178.799 176.117 0.270 0.000 1.115 73 I CA 1.167 62.576 61.300 0.181 0.000 1.392 73 I CB -0.391 37.721 38.000 0.187 0.000 1.065 73 I HN 0.249 nan 8.210 nan 0.000 0.418 74 E N -0.065 120.315 120.200 0.300 0.000 2.072 74 E HA -0.250 4.101 4.350 0.002 0.000 0.191 74 E C 1.725 178.528 176.600 0.339 0.000 0.985 74 E CA 1.134 57.732 56.400 0.329 0.000 0.801 74 E CB -0.433 29.473 29.700 0.342 0.000 0.750 74 E HN 0.603 nan 8.360 nan 0.000 0.452 75 W N 1.868 123.300 121.300 0.221 0.000 2.355 75 W HA -0.133 4.528 4.660 0.002 0.000 0.309 75 W C 1.985 178.566 176.519 0.102 0.000 1.206 75 W CA 1.427 58.903 57.345 0.219 0.000 1.284 75 W CB -0.472 29.086 29.460 0.165 0.000 1.145 75 W HN -0.062 nan 8.180 nan 0.000 0.502 76 I N -0.597 119.955 120.570 -0.029 0.000 2.163 76 I HA -0.378 3.793 4.170 0.002 0.000 0.243 76 I C 2.150 178.150 176.117 -0.195 0.000 1.085 76 I CA 1.541 62.669 61.300 -0.287 0.000 1.347 76 I CB -0.965 36.922 38.000 -0.189 0.000 1.044 76 I HN -0.072 nan 8.210 nan 0.000 0.408 77 Y N 1.136 121.418 120.300 -0.030 0.000 2.403 77 Y HA -0.220 4.332 4.550 0.002 0.000 0.291 77 Y C 2.933 178.670 175.900 -0.272 0.000 1.143 77 Y CA 1.386 59.442 58.100 -0.072 0.000 1.257 77 Y CB -0.630 37.797 38.460 -0.054 0.000 0.984 77 Y HN 0.281 nan 8.280 nan 0.000 0.550 78 S N -0.942 114.607 115.700 -0.252 0.000 2.515 78 S HA -0.061 4.411 4.470 0.002 0.000 0.231 78 S C 1.483 175.844 174.600 -0.398 0.000 0.987 78 S CA 0.642 58.550 58.200 -0.486 0.000 0.936 78 S CB -0.631 62.079 63.200 -0.816 0.000 0.766 78 S HN 0.490 nan 8.310 nan 0.000 0.528 79 L N 0.541 121.539 121.223 -0.375 0.000 2.592 79 L HA 0.292 4.634 4.340 0.002 0.000 0.227 79 L C 1.236 177.867 176.870 -0.398 0.000 1.127 79 L CA -0.060 54.584 54.840 -0.326 0.000 0.884 79 L CB -0.193 41.679 42.059 -0.312 0.000 1.065 79 L HN 0.404 nan 8.230 nan 0.000 0.457 80 Q N 1.398 120.822 119.800 -0.627 0.000 2.296 80 Q HA 0.193 4.535 4.340 0.002 0.000 0.262 80 Q C -0.673 174.996 176.000 -0.551 0.000 0.981 80 Q CA -0.260 54.915 55.803 -1.047 0.000 0.905 80 Q CB 1.459 29.554 28.738 -1.071 0.000 1.186 80 Q HN -0.016 nan 8.270 nan 0.000 0.399 81 V N 7.038 126.673 119.914 -0.464 0.000 2.356 81 V HA 0.144 4.265 4.120 0.002 0.000 0.258 81 V C 0.209 176.156 176.094 -0.243 0.000 1.065 81 V CA -0.083 62.052 62.300 -0.274 0.000 0.935 81 V CB -0.003 31.706 31.823 -0.190 0.000 1.061 81 V HN 0.736 nan 8.190 nan 0.000 0.484 82 L N 8.037 129.133 121.223 -0.212 0.000 2.399 82 L HA 0.461 4.803 4.340 0.002 0.000 0.266 82 L C -1.844 174.953 176.870 -0.122 0.000 1.114 82 L CA -1.815 52.926 54.840 -0.166 0.000 0.804 82 L CB 1.322 43.287 42.059 -0.156 0.000 1.146 82 L HN 0.374 nan 8.230 nan 0.000 0.451 83 P HA 0.067 nan 4.420 nan 0.000 0.271 83 P C -0.432 176.824 177.300 -0.073 0.000 1.216 83 P CA -0.357 62.694 63.100 -0.080 0.000 0.776 83 P CB 0.623 32.280 31.700 -0.072 0.000 0.881 84 T N -1.334 113.182 114.554 -0.063 0.000 2.698 84 T HA 0.229 4.580 4.350 0.002 0.000 0.295 84 T C 1.748 176.417 174.700 -0.051 0.000 1.007 84 T CA 0.346 62.412 62.100 -0.056 0.000 0.980 84 T CB -0.402 68.437 68.868 -0.049 0.000 1.036 84 T HN 0.442 nan 8.240 nan 0.000 0.526 85 E N 1.026 121.198 120.200 -0.046 0.000 2.033 85 E HA -0.259 4.092 4.350 0.002 0.000 0.199 85 E C 1.590 178.166 176.600 -0.039 0.000 1.011 85 E CA 2.174 58.549 56.400 -0.042 0.000 0.815 85 E CB -1.765 27.913 29.700 -0.037 0.000 0.755 85 E HN 1.012 nan 8.360 nan 0.000 0.451 86 D N -0.979 119.398 120.400 -0.038 0.000 2.350 86 D HA -0.077 4.564 4.640 0.002 0.000 0.216 86 D C 0.723 177.001 176.300 -0.038 0.000 0.968 86 D CA 0.563 54.542 54.000 -0.036 0.000 0.894 86 D CB -0.190 40.590 40.800 -0.034 0.000 0.909 86 D HN 0.501 nan 8.370 nan 0.000 0.520 87 R N -0.695 119.780 120.500 -0.042 0.000 3.651 87 R HA -0.167 4.174 4.340 0.002 0.000 0.292 87 R C 0.651 176.926 176.300 -0.042 0.000 1.161 87 R CA 0.845 56.919 56.100 -0.044 0.000 0.787 87 R CB -3.030 27.244 30.300 -0.042 0.000 1.249 87 R HN 0.504 nan 8.270 nan 0.000 0.476 88 S N 0.260 115.935 115.700 -0.042 0.000 2.593 88 S HA -0.033 4.438 4.470 0.002 0.000 0.217 88 S C 1.034 175.607 174.600 -0.044 0.000 0.966 88 S CA 0.407 58.582 58.200 -0.041 0.000 0.914 88 S CB 0.033 63.209 63.200 -0.040 0.000 0.776 88 S HN 0.543 nan 8.310 nan 0.000 0.523 89 N N 1.037 119.709 118.700 -0.047 0.000 2.338 89 N HA 0.204 4.945 4.740 0.002 0.000 0.251 89 N C 0.832 176.312 175.510 -0.050 0.000 1.199 89 N CA -0.394 52.626 53.050 -0.050 0.000 0.879 89 N CB -0.434 38.021 38.487 -0.054 0.000 1.159 89 N HN 0.325 nan 8.380 nan 0.000 0.514 90 L N 0.179 121.374 121.223 -0.046 0.000 2.079 90 L HA -0.131 4.210 4.340 0.002 0.000 0.210 90 L C 0.854 177.700 176.870 -0.039 0.000 1.081 90 L CA 1.454 56.267 54.840 -0.045 0.000 0.752 90 L CB -0.218 41.817 42.059 -0.040 0.000 0.896 90 L HN 0.065 nan 8.230 nan 0.000 0.433 91 D N -0.198 120.181 120.400 -0.035 0.000 2.378 91 D HA -0.102 4.540 4.640 0.002 0.000 0.222 91 D C 1.583 177.864 176.300 -0.031 0.000 0.980 91 D CA 0.823 54.806 54.000 -0.029 0.000 0.907 91 D CB 0.054 40.838 40.800 -0.028 0.000 0.899 91 D HN 0.292 nan 8.370 nan 0.000 0.527 92 R N -0.893 119.584 120.500 -0.039 0.000 2.508 92 R HA 0.238 4.579 4.340 0.002 0.000 0.300 92 R C -0.075 176.195 176.300 -0.051 0.000 0.970 92 R CA -0.232 55.843 56.100 -0.041 0.000 1.102 92 R CB 0.469 30.744 30.300 -0.043 0.000 1.246 92 R HN 0.068 nan 8.270 nan 0.000 0.539 93 C N 0.719 119.986 119.300 -0.055 0.000 2.520 93 C HA 0.758 5.219 4.460 0.002 0.000 0.376 93 C C 1.390 176.349 174.990 -0.051 0.000 1.268 93 C CA 0.270 59.243 59.018 -0.075 0.000 2.414 93 C CB 0.932 28.623 27.740 -0.081 0.000 2.521 93 C HN 0.779 nan 8.230 nan 0.000 0.618 94 G N 0.649 109.402 108.800 -0.079 0.000 2.366 94 G HA2 0.277 4.238 3.960 0.002 0.000 0.190 94 G HA3 0.277 4.238 3.960 0.002 0.000 0.190 94 G C -1.630 173.244 174.900 -0.043 0.000 1.299 94 G CA -0.524 44.602 45.100 0.042 0.000 1.056 94 G HN 0.425 nan 8.290 nan 0.000 0.468 95 F N 1.211 121.114 119.950 -0.078 0.000 2.561 95 F HA 0.775 5.303 4.527 0.002 0.000 0.321 95 F C 0.861 176.617 175.800 -0.075 0.000 1.065 95 F CA -0.731 57.204 58.000 -0.107 0.000 0.934 95 F CB 2.111 41.021 39.000 -0.151 0.000 1.215 95 F HN 0.428 nan 8.300 nan 0.000 0.471 96 R N 0.044 120.580 120.500 0.061 0.000 2.573 96 R HA 0.507 4.848 4.340 0.002 0.000 0.272 96 R C 0.957 177.281 176.300 0.042 0.000 1.009 96 R CA -0.396 55.734 56.100 0.050 0.000 1.059 96 R CB 0.645 30.931 30.300 -0.023 0.000 1.112 96 R HN 0.895 nan 8.270 nan 0.000 0.517 97 G N -0.143 108.702 108.800 0.075 0.000 2.511 97 G HA2 -0.083 3.878 3.960 0.002 0.000 0.217 97 G HA3 -0.083 3.878 3.960 0.002 0.000 0.217 97 G C 0.292 175.235 174.900 0.072 0.000 1.133 97 G CA 0.848 45.956 45.100 0.014 0.000 0.792 97 G HN 0.632 nan 8.290 nan 0.000 0.539 98 S N -1.882 113.915 115.700 0.162 0.000 2.694 98 S HA 0.345 4.817 4.470 0.002 0.000 0.273 98 S C 0.359 175.070 174.600 0.185 0.000 1.180 98 S CA 0.496 58.822 58.200 0.210 0.000 0.864 98 S CB 0.724 64.108 63.200 0.307 0.000 1.198 98 S HN 0.498 nan 8.310 nan 0.000 0.499 99 S N 0.236 116.051 115.700 0.192 0.000 2.622 99 S HA 0.131 4.602 4.470 0.002 0.000 0.236 99 S C 1.294 175.927 174.600 0.054 0.000 0.956 99 S CA 0.177 58.424 58.200 0.078 0.000 0.971 99 S CB -1.322 61.964 63.200 0.144 0.000 0.782 99 S HN 1.026 nan 8.310 nan 0.000 0.468 100 Y N 0.655 120.980 120.300 0.042 0.000 2.465 100 Y HA 0.085 4.637 4.550 0.002 0.000 0.289 100 Y C 1.446 177.355 175.900 0.016 0.000 1.150 100 Y CA 0.274 58.396 58.100 0.036 0.000 1.293 100 Y CB -0.698 37.782 38.460 0.033 0.000 0.977 100 Y HN 0.308 nan 8.280 nan 0.000 0.556 101 L N 0.387 121.215 121.223 -0.659 0.000 2.395 101 L HA 0.131 4.472 4.340 0.002 0.000 0.218 101 L C 1.842 178.609 176.870 -0.171 0.000 1.130 101 L CA 1.095 55.645 54.840 -0.484 0.000 0.826 101 L CB -0.642 41.012 42.059 -0.675 0.000 0.941 101 L HN 0.689 nan 8.230 nan 0.000 0.451 102 G N 0.572 109.314 108.800 -0.098 0.000 2.141 102 G HA2 -0.254 3.707 3.960 0.002 0.000 0.231 102 G HA3 -0.254 3.707 3.960 0.002 0.000 0.231 102 G C 0.248 175.155 174.900 0.011 0.000 0.984 102 G CA -0.319 44.780 45.100 -0.002 0.000 0.660 102 G HN 0.258 nan 8.290 nan 0.000 0.525 103 I N 2.945 123.492 120.570 -0.038 0.000 2.588 103 I HA 0.207 4.379 4.170 0.002 0.000 0.283 103 I C -0.835 175.292 176.117 0.017 0.000 1.119 103 I CA -1.623 59.668 61.300 -0.015 0.000 1.419 103 I CB 0.663 38.614 38.000 -0.082 0.000 1.394 103 I HN 0.019 nan 8.210 nan 0.000 0.562 104 P HA -0.088 nan 4.420 nan 0.000 0.263 104 P C -0.401 176.956 177.300 0.095 0.000 1.195 104 P CA -0.089 63.056 63.100 0.076 0.000 0.762 104 P CB 0.267 32.001 31.700 0.057 0.000 0.799 105 F N 3.964 123.917 119.950 0.006 0.000 2.548 105 F HA -0.042 4.487 4.527 0.002 0.000 0.403 105 F C 0.524 176.324 175.800 -0.000 0.000 1.004 105 F CA 0.948 58.954 58.000 0.011 0.000 1.177 105 F CB -0.022 39.002 39.000 0.039 0.000 0.974 105 F HN 0.360 nan 8.300 nan 0.000 0.541 106 N N 7.852 126.237 118.700 -0.525 0.000 2.664 106 N HA 0.260 5.001 4.740 0.002 0.000 0.268 106 N C -2.898 172.326 175.510 -0.477 0.000 1.222 106 N CA -1.961 50.875 53.050 -0.357 0.000 0.805 106 N CB 1.291 39.671 38.487 -0.179 0.000 1.399 106 N HN 0.180 nan 8.380 nan 0.000 0.547 107 P HA 0.072 nan 4.420 nan 0.000 0.237 107 P C -0.667 176.530 177.300 -0.171 0.000 1.701 107 P CA 0.186 63.117 63.100 -0.282 0.000 0.955 107 P CB -0.660 30.973 31.700 -0.111 0.000 1.937 108 S N -1.111 114.477 115.700 -0.186 0.000 3.549 108 S HA -0.219 4.252 4.470 0.002 0.000 0.366 108 S C 1.413 175.901 174.600 -0.187 0.000 1.012 108 S CA 1.590 59.682 58.200 -0.180 0.000 1.141 108 S CB -1.675 61.426 63.200 -0.166 0.000 0.910 108 S HN 0.717 nan 8.310 nan 0.000 0.471 109 K N 0.132 120.443 120.400 -0.148 0.000 2.225 109 K HA 0.227 4.548 4.320 0.002 0.000 0.204 109 K C 0.553 177.097 176.600 -0.093 0.000 1.047 109 K CA 0.984 57.203 56.287 -0.113 0.000 0.970 109 K CB -0.047 32.408 32.500 -0.075 0.000 0.939 109 K HN 0.529 nan 8.250 nan 0.000 0.472 110 N N 0.529 119.177 118.700 -0.086 0.000 2.502 110 N HA 0.386 5.128 4.740 0.002 0.000 0.280 110 N C -2.615 172.846 175.510 -0.082 0.000 1.223 110 N CA -1.830 51.178 53.050 -0.071 0.000 0.966 110 N CB 1.099 39.554 38.487 -0.053 0.000 1.203 110 N HN 0.159 nan 8.380 nan 0.000 0.565 111 P HA 0.104 nan 4.420 nan 0.000 0.272 111 P C 0.072 177.325 177.300 -0.077 0.000 1.240 111 P CA -0.256 62.800 63.100 -0.074 0.000 0.791 111 P CB 0.220 31.884 31.700 -0.060 0.000 0.978 112 G N 0.393 109.144 108.800 -0.083 0.000 2.441 112 G HA2 0.368 4.329 3.960 0.002 0.000 0.243 112 G HA3 0.368 4.329 3.960 0.002 0.000 0.243 112 G C 0.033 174.897 174.900 -0.060 0.000 1.281 112 G CA -0.229 44.821 45.100 -0.084 0.000 0.854 112 G HN 0.609 nan 8.290 nan 0.000 0.560 113 T N -0.222 114.301 114.554 -0.051 0.000 2.744 113 T HA 0.624 4.976 4.350 0.002 0.000 0.291 113 T C 0.588 175.283 174.700 -0.008 0.000 0.957 113 T CA -0.135 61.948 62.100 -0.027 0.000 1.002 113 T CB 1.451 70.309 68.868 -0.016 0.000 0.919 113 T HN 1.014 nan 8.240 nan 0.000 0.468 114 A N 3.141 125.954 122.820 -0.013 0.000 2.561 114 A HA 0.332 4.654 4.320 0.002 0.000 0.234 114 A C 0.310 177.919 177.584 0.041 0.000 1.055 114 A CA 0.073 52.107 52.037 -0.005 0.000 0.756 114 A CB -0.191 18.790 19.000 -0.032 0.000 0.986 114 A HN 1.073 nan 8.150 nan 0.000 0.505 115 H N 2.657 121.687 119.070 -0.066 0.000 3.154 115 H HA 0.279 4.836 4.556 0.002 0.000 0.330 115 H C -2.510 172.762 175.328 -0.093 0.000 1.033 115 H CA -1.220 54.796 56.048 -0.053 0.000 1.393 115 H CB 1.789 31.527 29.762 -0.041 0.000 1.951 115 H HN 0.364 nan 8.280 nan 0.000 0.466 116 P HA -0.116 nan 4.420 nan 0.000 0.218 116 P C 0.104 177.140 177.300 -0.440 0.000 1.146 116 P CA 1.487 64.411 63.100 -0.292 0.000 0.820 116 P CB 0.083 31.546 31.700 -0.395 0.000 0.778 117 Y N -2.532 117.992 120.300 0.372 0.000 2.641 117 Y HA 0.262 4.813 4.550 0.002 0.000 0.248 117 Y C 0.245 176.138 175.900 -0.011 0.000 1.170 117 Y CA -0.989 57.207 58.100 0.160 0.000 1.201 117 Y CB -0.012 38.540 38.460 0.154 0.000 1.232 117 Y HN -0.148 nan 8.280 nan 0.000 0.537 118 D N 1.494 121.901 120.400 0.011 0.000 2.280 118 D HA 0.458 5.099 4.640 0.002 0.000 0.243 118 D C -0.215 176.043 176.300 -0.070 0.000 1.129 118 D CA 0.166 54.069 54.000 -0.160 0.000 0.848 118 D CB 0.718 41.356 40.800 -0.270 0.000 1.107 118 D HN 0.150 nan 8.370 nan 0.000 0.471 119 S N 1.578 117.245 115.700 -0.054 0.000 2.611 119 S HA 0.734 5.206 4.470 0.002 0.000 0.268 119 S C 0.138 174.731 174.600 -0.012 0.000 1.156 119 S CA -0.855 57.325 58.200 -0.035 0.000 0.817 119 S CB 0.820 64.012 63.200 -0.012 0.000 1.122 119 S HN 0.480 nan 8.310 nan 0.000 0.466 120 G N 0.030 108.824 108.800 -0.011 0.000 2.616 120 G HA2 0.492 4.453 3.960 0.002 0.000 0.268 120 G HA3 0.492 4.453 3.960 0.002 0.000 0.268 120 G C -0.782 174.161 174.900 0.071 0.000 1.213 120 G CA -0.286 44.834 45.100 0.033 0.000 0.926 120 G HN 0.871 nan 8.290 nan 0.000 0.523 121 H N 0.760 119.827 119.070 -0.004 0.000 2.658 121 H HA 0.228 4.785 4.556 0.002 0.000 0.337 121 H C 1.077 176.367 175.328 -0.063 0.000 1.009 121 H CA -0.711 55.309 56.048 -0.047 0.000 1.231 121 H CB 1.769 31.520 29.762 -0.019 0.000 1.508 121 H HN 0.383 nan 8.280 nan 0.000 0.517 122 I N 4.006 124.419 120.570 -0.261 0.000 2.236 122 I HA -0.344 3.828 4.170 0.002 0.000 0.249 122 I C 1.932 178.091 176.117 0.070 0.000 1.102 122 I CA 1.934 63.148 61.300 -0.143 0.000 1.365 122 I CB -0.054 37.765 38.000 -0.303 0.000 1.051 122 I HN 0.710 nan 8.210 nan 0.000 0.420 123 A N -0.216 122.772 122.820 0.280 0.000 2.066 123 A HA -0.130 4.192 4.320 0.002 0.000 0.218 123 A C 2.101 179.780 177.584 0.159 0.000 1.157 123 A CA 1.090 53.339 52.037 0.353 0.000 0.670 123 A CB -0.263 19.015 19.000 0.463 0.000 0.804 123 A HN 0.421 nan 8.150 nan 0.000 0.453 124 M N -0.857 118.834 119.600 0.153 0.000 2.287 124 M HA -0.004 4.478 4.480 0.002 0.000 0.266 124 M C 2.014 178.252 176.300 -0.102 0.000 1.079 124 M CA 1.547 56.834 55.300 -0.021 0.000 1.146 124 M CB -1.925 30.694 32.600 0.033 0.000 1.374 124 M HN 0.324 nan 8.290 nan 0.000 0.435 125 T N 0.514 115.071 114.554 0.006 0.000 2.746 125 T HA -0.169 4.182 4.350 0.002 0.000 0.267 125 T C 1.697 176.270 174.700 -0.212 0.000 1.039 125 T CA 1.466 63.533 62.100 -0.055 0.000 1.142 125 T CB -0.472 68.440 68.868 0.072 0.000 0.866 125 T HN 0.349 nan 8.240 nan 0.000 0.444 126 Y N 3.062 123.227 120.300 -0.225 0.000 2.070 126 Y HA -0.200 4.351 4.550 0.002 0.000 0.279 126 Y C 2.708 178.385 175.900 -0.372 0.000 1.134 126 Y CA 1.914 59.850 58.100 -0.273 0.000 1.113 126 Y CB -1.290 37.038 38.460 -0.220 0.000 0.981 126 Y HN 0.294 nan 8.280 nan 0.000 0.487 127 T N -1.907 112.062 114.554 -0.974 0.000 2.881 127 T HA -0.042 4.310 4.350 0.002 0.000 0.270 127 T C 2.192 176.486 174.700 -0.675 0.000 1.068 127 T CA 1.091 62.516 62.100 -1.125 0.000 1.131 127 T CB -1.342 67.009 68.868 -0.862 0.000 0.871 127 T HN 0.448 nan 8.240 nan 0.000 0.479 128 G N 1.943 110.363 108.800 -0.633 0.000 2.434 128 G HA2 -0.038 3.923 3.960 0.002 0.000 0.214 128 G HA3 -0.038 3.923 3.960 0.002 0.000 0.214 128 G C 1.485 175.942 174.900 -0.739 0.000 1.202 128 G CA 0.701 45.338 45.100 -0.772 0.000 0.788 128 G HN 0.502 nan 8.290 nan 0.000 0.539 129 L N 0.569 121.360 121.223 -0.720 0.000 2.042 129 L HA -0.131 4.210 4.340 0.002 0.000 0.210 129 L C 3.113 179.819 176.870 -0.274 0.000 1.076 129 L CA 1.373 55.957 54.840 -0.427 0.000 0.749 129 L CB -0.521 41.383 42.059 -0.258 0.000 0.893 129 L HN 0.333 nan 8.230 nan 0.000 0.432 130 S N -0.936 114.576 115.700 -0.314 0.000 2.359 130 S HA -0.240 4.231 4.470 0.002 0.000 0.224 130 S C 2.184 176.718 174.600 -0.109 0.000 1.035 130 S CA 1.703 59.778 58.200 -0.209 0.000 1.018 130 S CB -0.332 62.596 63.200 -0.453 0.000 0.876 130 S HN 0.508 nan 8.310 nan 0.000 0.448 131 C N 1.037 120.245 119.300 -0.153 0.000 2.429 131 C HA 0.029 4.490 4.460 0.002 0.000 0.277 131 C C 2.526 177.454 174.990 -0.104 0.000 1.262 131 C CA 0.664 59.628 59.018 -0.089 0.000 1.733 131 C CB -1.589 26.088 27.740 -0.104 0.000 2.010 131 C HN 0.587 nan 8.230 nan 0.000 0.483 132 L N 0.400 121.522 121.223 -0.168 0.000 2.013 132 L HA -0.208 4.133 4.340 0.002 0.000 0.212 132 L C 2.394 179.237 176.870 -0.045 0.000 1.073 132 L CA 1.727 56.490 54.840 -0.127 0.000 0.753 132 L CB -0.587 41.354 42.059 -0.196 0.000 0.890 132 L HN 0.364 nan 8.230 nan 0.000 0.432 133 I N -0.274 120.270 120.570 -0.044 0.000 2.226 133 I HA -0.321 3.850 4.170 0.002 0.000 0.245 133 I C 2.427 178.532 176.117 -0.021 0.000 1.100 133 I CA 1.490 62.779 61.300 -0.019 0.000 1.374 133 I CB -0.252 37.733 38.000 -0.025 0.000 1.057 133 I HN 0.195 nan 8.210 nan 0.000 0.413 134 I N 0.481 121.034 120.570 -0.028 0.000 2.286 134 I HA -0.279 3.892 4.170 0.002 0.000 0.248 134 I C 2.107 178.206 176.117 -0.030 0.000 1.115 134 I CA 1.430 62.711 61.300 -0.033 0.000 1.392 134 I CB -0.201 37.765 38.000 -0.056 0.000 1.065 134 I HN 0.232 nan 8.210 nan 0.000 0.418 135 L N 0.161 121.371 121.223 -0.023 0.000 2.599 135 L HA 0.138 4.479 4.340 0.002 0.000 0.230 135 L C 1.633 178.511 176.870 0.014 0.000 1.141 135 L CA 0.656 55.492 54.840 -0.005 0.000 0.877 135 L CB -0.248 41.814 42.059 0.005 0.000 1.009 135 L HN 0.515 nan 8.230 nan 0.000 0.447 136 G N -0.611 108.197 108.800 0.014 0.000 2.194 136 G HA2 -0.266 3.696 3.960 0.002 0.000 0.236 136 G HA3 -0.266 3.696 3.960 0.002 0.000 0.236 136 G C 0.248 175.179 174.900 0.052 0.000 0.987 136 G CA 0.095 45.210 45.100 0.025 0.000 0.635 136 G HN 0.389 nan 8.290 nan 0.000 0.520 137 D N 1.048 121.491 120.400 0.073 0.000 2.378 137 D HA 0.255 4.896 4.640 0.002 0.000 0.238 137 D C 1.032 177.414 176.300 0.137 0.000 1.180 137 D CA 0.766 54.842 54.000 0.127 0.000 0.895 137 D CB 0.642 41.548 40.800 0.176 0.000 1.192 137 D HN 0.313 nan 8.370 nan 0.000 0.438 138 D N 1.354 121.861 120.400 0.178 0.000 2.363 138 D HA 0.024 4.665 4.640 0.002 0.000 0.214 138 D C 1.050 177.551 176.300 0.334 0.000 1.093 138 D CA -0.315 53.821 54.000 0.226 0.000 0.837 138 D CB -0.053 40.871 40.800 0.208 0.000 0.948 138 D HN 0.258 nan 8.370 nan 0.000 0.507 139 L N 0.283 121.689 121.223 0.306 0.000 4.429 139 L HA -0.292 4.049 4.340 0.002 0.000 0.422 139 L C 1.775 178.763 176.870 0.198 0.000 1.149 139 L CA 1.015 56.043 54.840 0.313 0.000 0.972 139 L CB -2.969 39.296 42.059 0.343 0.000 2.059 139 L HN 0.318 nan 8.230 nan 0.000 0.870 140 S N -1.318 114.469 115.700 0.146 0.000 2.419 140 S HA -0.122 4.349 4.470 0.002 0.000 0.233 140 S C 1.704 176.275 174.600 -0.048 0.000 1.016 140 S CA 1.263 59.473 58.200 0.017 0.000 0.974 140 S CB -0.207 63.002 63.200 0.015 0.000 0.786 140 S HN 0.640 nan 8.310 nan 0.000 0.492 141 R N 0.661 121.112 120.500 -0.082 0.000 2.310 141 R HA 0.316 4.658 4.340 0.002 0.000 0.202 141 R C -0.538 175.767 176.300 0.009 0.000 0.933 141 R CA -0.058 55.889 56.100 -0.255 0.000 1.054 141 R CB 0.169 29.919 30.300 -0.916 0.000 0.985 141 R HN 0.258 nan 8.270 nan 0.000 0.489 142 V N 1.784 121.808 119.914 0.185 0.000 2.461 142 V HA 0.012 4.133 4.120 0.002 0.000 0.275 142 V C 0.209 176.321 176.094 0.029 0.000 1.047 142 V CA -0.567 61.860 62.300 0.212 0.000 0.955 142 V CB 1.379 33.346 31.823 0.241 0.000 0.988 142 V HN 0.094 nan 8.190 nan 0.000 0.471 143 D N 4.926 125.322 120.400 -0.007 0.000 2.508 143 D HA 0.099 4.741 4.640 0.002 0.000 0.224 143 D C 1.292 177.560 176.300 -0.053 0.000 1.171 143 D CA -0.033 53.933 54.000 -0.058 0.000 1.006 143 D CB 0.456 41.211 40.800 -0.076 0.000 1.073 143 D HN 0.518 nan 8.370 nan 0.000 0.513 144 K N 1.396 121.748 120.400 -0.080 0.000 2.059 144 K HA -0.203 4.119 4.320 0.002 0.000 0.212 144 K C 1.468 178.021 176.600 -0.078 0.000 1.050 144 K CA 1.080 57.311 56.287 -0.092 0.000 0.927 144 K CB 0.216 32.609 32.500 -0.179 0.000 0.714 144 K HN 0.342 nan 8.250 nan 0.000 0.447 145 E N 0.380 120.530 120.200 -0.083 0.000 2.153 145 E HA -0.143 4.209 4.350 0.002 0.000 0.194 145 E C 2.045 178.614 176.600 -0.052 0.000 0.988 145 E CA 1.130 57.490 56.400 -0.066 0.000 0.811 145 E CB -0.203 29.458 29.700 -0.066 0.000 0.746 145 E HN 0.360 nan 8.360 nan 0.000 0.466 146 A N 0.789 123.576 122.820 -0.054 0.000 1.898 146 A HA -0.168 4.153 4.320 0.002 0.000 0.216 146 A C 2.638 180.199 177.584 -0.039 0.000 1.181 146 A CA 1.322 53.328 52.037 -0.051 0.000 0.620 146 A CB -0.901 18.060 19.000 -0.066 0.000 0.819 146 A HN 0.334 nan 8.150 nan 0.000 0.442 147 C N -0.607 118.677 119.300 -0.027 0.000 2.413 147 C HA -0.090 4.371 4.460 0.002 0.000 0.277 147 C C 2.646 177.627 174.990 -0.016 0.000 1.228 147 C CA 1.091 60.108 59.018 -0.002 0.000 1.731 147 C CB -1.543 26.217 27.740 0.034 0.000 2.042 147 C HN 0.629 nan 8.230 nan 0.000 0.468 148 L N 1.003 122.208 121.223 -0.030 0.000 2.079 148 L HA -0.180 4.162 4.340 0.002 0.000 0.210 148 L C 2.855 179.719 176.870 -0.009 0.000 1.081 148 L CA 1.616 56.438 54.840 -0.030 0.000 0.752 148 L CB -0.804 41.230 42.059 -0.042 0.000 0.896 148 L HN 0.373 nan 8.230 nan 0.000 0.433 149 A N 0.326 123.137 122.820 -0.016 0.000 1.898 149 A HA -0.090 4.232 4.320 0.002 0.000 0.216 149 A C 2.421 180.003 177.584 -0.004 0.000 1.181 149 A CA 1.622 53.653 52.037 -0.011 0.000 0.620 149 A CB -1.150 17.836 19.000 -0.023 0.000 0.819 149 A HN 0.427 nan 8.150 nan 0.000 0.442 150 G N -0.415 108.379 108.800 -0.010 0.000 2.418 150 G HA2 -0.162 3.799 3.960 0.002 0.000 0.217 150 G HA3 -0.162 3.799 3.960 0.002 0.000 0.217 150 G C 1.585 176.494 174.900 0.015 0.000 1.158 150 G CA 0.903 45.999 45.100 -0.007 0.000 0.771 150 G HN 0.403 nan 8.290 nan 0.000 0.545 151 L N -0.106 121.131 121.223 0.024 0.000 1.994 151 L HA -0.076 4.265 4.340 0.002 0.000 0.208 151 L C 3.234 180.203 176.870 0.165 0.000 1.071 151 L CA 1.304 56.184 54.840 0.066 0.000 0.745 151 L CB -0.289 41.778 42.059 0.014 0.000 0.892 151 L HN 0.204 nan 8.230 nan 0.000 0.431 152 R N -0.431 120.135 120.500 0.111 0.000 2.119 152 R HA -0.227 4.115 4.340 0.002 0.000 0.246 152 R C 2.143 178.470 176.300 0.046 0.000 1.146 152 R CA 1.540 57.698 56.100 0.097 0.000 0.962 152 R CB -0.556 29.773 30.300 0.047 0.000 0.863 152 R HN 0.458 nan 8.270 nan 0.000 0.442 153 A N 0.738 123.574 122.820 0.028 0.000 2.125 153 A HA -0.084 4.237 4.320 0.002 0.000 0.219 153 A C 1.981 179.560 177.584 -0.009 0.000 1.156 153 A CA 1.031 53.067 52.037 -0.002 0.000 0.671 153 A CB -0.298 18.697 19.000 -0.008 0.000 0.794 153 A HN 0.208 nan 8.150 nan 0.000 0.459 154 L N -1.145 120.104 121.223 0.043 0.000 2.446 154 L HA 0.062 4.403 4.340 0.002 0.000 0.219 154 L C 1.370 178.187 176.870 -0.088 0.000 1.116 154 L CA -0.016 54.856 54.840 0.053 0.000 0.844 154 L CB -0.182 41.983 42.059 0.177 0.000 0.970 154 L HN 0.493 nan 8.230 nan 0.000 0.457 155 Q N 1.432 121.039 119.800 -0.322 0.000 2.314 155 Q HA 0.328 4.669 4.340 0.002 0.000 0.258 155 Q C -0.613 175.133 176.000 -0.424 0.000 0.954 155 Q CA -0.102 55.199 55.803 -0.837 0.000 0.890 155 Q CB 0.945 29.082 28.738 -1.001 0.000 1.210 155 Q HN 0.234 nan 8.270 nan 0.000 0.410 156 L N 2.429 123.411 121.223 -0.402 0.000 2.400 156 L HA 0.319 4.661 4.340 0.002 0.000 0.264 156 L C 1.787 178.551 176.870 -0.177 0.000 1.061 156 L CA 0.030 54.740 54.840 -0.218 0.000 0.799 156 L CB 0.542 42.504 42.059 -0.162 0.000 1.240 156 L HN 0.904 nan 8.230 nan 0.000 0.461 157 E N 0.745 120.885 120.200 -0.100 0.000 2.118 157 E HA -0.260 4.091 4.350 0.002 0.000 0.195 157 E C 1.271 177.844 176.600 -0.044 0.000 0.992 157 E CA 1.690 58.052 56.400 -0.063 0.000 0.804 157 E CB -0.845 28.835 29.700 -0.034 0.000 0.741 157 E HN 0.876 nan 8.360 nan 0.000 0.458 158 D N -2.030 118.353 120.400 -0.029 0.000 2.363 158 D HA 0.229 4.871 4.640 0.002 0.000 0.226 158 D C 1.512 177.844 176.300 0.054 0.000 1.020 158 D CA 1.175 55.204 54.000 0.049 0.000 0.892 158 D CB -0.029 40.852 40.800 0.135 0.000 0.900 158 D HN 0.871 nan 8.370 nan 0.000 0.531 159 G N -0.171 108.572 108.800 -0.095 0.000 2.234 159 G HA2 -0.295 3.666 3.960 0.002 0.000 0.235 159 G HA3 -0.295 3.666 3.960 0.002 0.000 0.235 159 G C 0.569 175.280 174.900 -0.315 0.000 0.997 159 G CA 0.457 45.482 45.100 -0.125 0.000 0.623 159 G HN 0.819 nan 8.290 nan 0.000 0.514 160 S N -0.231 115.136 115.700 -0.556 0.000 2.652 160 S HA 0.819 5.290 4.470 0.002 0.000 0.267 160 S C -0.150 174.188 174.600 -0.437 0.000 1.201 160 S CA -0.264 57.543 58.200 -0.655 0.000 0.996 160 S CB 1.220 63.715 63.200 -1.175 0.000 1.054 160 S HN 0.580 nan 8.310 nan 0.000 0.561 161 F N -1.472 118.396 119.950 -0.136 0.000 2.603 161 F HA 0.592 5.121 4.527 0.002 0.000 0.317 161 F C 0.326 176.186 175.800 0.099 0.000 1.066 161 F CA -1.007 56.988 58.000 -0.009 0.000 0.941 161 F CB 1.501 40.521 39.000 0.032 0.000 1.291 161 F HN 0.671 nan 8.300 nan 0.000 0.472 162 C N 0.417 119.825 119.300 0.180 0.000 2.354 162 C HA 0.711 5.172 4.460 0.002 0.000 0.381 162 C C 1.452 176.250 174.990 -0.319 0.000 1.240 162 C CA 0.027 59.069 59.018 0.040 0.000 2.089 162 C CB 1.372 29.099 27.740 -0.021 0.000 2.234 162 C HN 0.968 nan 8.230 nan 0.000 0.544 163 A N 0.258 122.662 122.820 -0.694 0.000 1.997 163 A HA 0.396 4.717 4.320 0.002 0.000 0.212 163 A C 0.533 177.709 177.584 -0.680 0.000 1.178 163 A CA 1.061 52.401 52.037 -1.161 0.000 0.698 163 A CB -0.147 17.871 19.000 -1.638 0.000 0.842 163 A HN 1.256 nan 8.150 nan 0.000 0.458 164 V N -4.659 115.038 119.914 -0.362 0.000 2.925 164 V HA 0.505 4.626 4.120 0.002 0.000 0.311 164 V C -2.360 173.685 176.094 -0.082 0.000 1.104 164 V CA -1.656 60.540 62.300 -0.173 0.000 0.954 164 V CB 1.859 33.638 31.823 -0.073 0.000 1.022 164 V HN 0.067 nan 8.190 nan 0.000 0.427 165 P HA -0.117 nan 4.420 nan 0.000 0.219 165 P C 0.921 178.217 177.300 -0.006 0.000 1.146 165 P CA 1.378 64.462 63.100 -0.026 0.000 0.808 165 P CB 0.441 32.127 31.700 -0.023 0.000 0.779 166 E N -0.164 120.045 120.200 0.015 0.000 2.338 166 E HA 0.215 4.566 4.350 0.002 0.000 0.197 166 E C 1.166 177.788 176.600 0.036 0.000 1.007 166 E CA 0.927 57.353 56.400 0.043 0.000 0.849 166 E CB -0.599 29.157 29.700 0.093 0.000 0.774 166 E HN 0.371 nan 8.360 nan 0.000 0.506 167 G N -0.606 108.204 108.800 0.017 0.000 2.525 167 G HA2 0.255 4.217 3.960 0.002 0.000 0.685 167 G HA3 0.255 4.217 3.960 0.002 0.000 0.685 167 G C -0.363 174.554 174.900 0.028 0.000 1.285 167 G CA -0.498 44.613 45.100 0.019 0.000 0.849 167 G HN 0.634 nan 8.290 nan 0.000 0.653 168 S N -0.630 115.094 115.700 0.039 0.000 2.660 168 S HA 0.714 5.186 4.470 0.002 0.000 0.264 168 S C -0.451 174.218 174.600 0.114 0.000 1.131 168 S CA 0.146 58.391 58.200 0.075 0.000 0.846 168 S CB 1.319 64.551 63.200 0.054 0.000 1.151 168 S HN 2.092 nan 8.310 nan 0.000 0.486 169 E N 1.394 121.696 120.200 0.171 0.000 2.409 169 E HA 0.298 4.649 4.350 0.002 0.000 0.257 169 E C -0.806 175.943 176.600 0.247 0.000 1.150 169 E CA -0.382 56.120 56.400 0.169 0.000 0.942 169 E CB 0.082 29.873 29.700 0.152 0.000 0.979 169 E HN 0.757 nan 8.360 nan 0.000 0.447 170 N N 0.650 119.449 118.700 0.164 0.000 2.249 170 N HA 0.399 5.141 4.740 0.002 0.000 0.296 170 N C -1.364 174.182 175.510 0.060 0.000 1.051 170 N CA -0.524 52.629 53.050 0.171 0.000 0.815 170 N CB 2.133 40.667 38.487 0.079 0.000 1.487 170 N HN 0.637 nan 8.380 nan 0.000 0.475 171 D N -0.289 120.104 120.400 -0.011 0.000 2.879 171 D HA 0.115 4.756 4.640 0.002 0.000 0.346 171 D C 0.563 176.851 176.300 -0.020 0.000 1.390 171 D CA -0.658 53.336 54.000 -0.010 0.000 0.838 171 D CB 0.435 41.196 40.800 -0.064 0.000 1.416 171 D HN 0.211 nan 8.370 nan 0.000 0.493 172 M N 0.031 119.695 119.600 0.107 0.000 2.202 172 M HA 0.052 4.533 4.480 0.002 0.000 0.262 172 M C 1.832 178.145 176.300 0.021 0.000 1.063 172 M CA 1.758 57.136 55.300 0.131 0.000 1.097 172 M CB -0.392 32.276 32.600 0.112 0.000 1.382 172 M HN 0.456 nan 8.290 nan 0.000 0.413 173 R N -1.277 119.126 120.500 -0.161 0.000 2.096 173 R HA -0.177 4.165 4.340 0.002 0.000 0.240 173 R C 2.060 178.370 176.300 0.016 0.000 1.139 173 R CA 2.096 58.094 56.100 -0.170 0.000 0.952 173 R CB -0.725 29.294 30.300 -0.467 0.000 0.854 173 R HN 0.429 nan 8.270 nan 0.000 0.436 174 F N -0.351 119.654 119.950 0.092 0.000 2.456 174 F HA -0.082 4.447 4.527 0.002 0.000 0.298 174 F C 2.236 177.993 175.800 -0.072 0.000 1.104 174 F CA -0.133 57.883 58.000 0.027 0.000 1.435 174 F CB 0.017 39.052 39.000 0.058 0.000 1.078 174 F HN -0.165 nan 8.300 nan 0.000 0.546 175 V N -0.396 119.621 119.914 0.172 0.000 2.358 175 V HA -0.320 3.801 4.120 0.002 0.000 0.246 175 V C 2.034 178.137 176.094 0.014 0.000 1.047 175 V CA 1.746 64.116 62.300 0.118 0.000 1.035 175 V CB -0.759 31.201 31.823 0.228 0.000 0.658 175 V HN 0.385 nan 8.190 nan 0.000 0.452 176 Y N 0.272 120.550 120.300 -0.036 0.000 2.200 176 Y HA -0.253 4.299 4.550 0.002 0.000 0.290 176 Y C 2.528 178.303 175.900 -0.208 0.000 1.137 176 Y CA 1.594 59.646 58.100 -0.080 0.000 1.163 176 Y CB -0.712 37.742 38.460 -0.011 0.000 0.988 176 Y HN 0.235 nan 8.280 nan 0.000 0.518 177 C N 0.347 119.480 119.300 -0.278 0.000 2.432 177 C HA -0.133 4.328 4.460 0.002 0.000 0.277 177 C C 3.081 177.789 174.990 -0.469 0.000 1.249 177 C CA 1.262 60.013 59.018 -0.446 0.000 1.725 177 C CB -1.748 25.961 27.740 -0.051 0.000 2.028 177 C HN 0.736 nan 8.230 nan 0.000 0.477 178 A N 0.360 122.873 122.820 -0.510 0.000 1.902 178 A HA -0.167 4.154 4.320 0.002 0.000 0.217 178 A C 2.263 179.576 177.584 -0.451 0.000 1.181 178 A CA 2.352 54.003 52.037 -0.645 0.000 0.623 178 A CB -0.851 17.284 19.000 -1.442 0.000 0.818 178 A HN 0.559 nan 8.150 nan 0.000 0.443 179 S N -0.831 114.668 115.700 -0.335 0.000 2.359 179 S HA -0.218 4.253 4.470 0.002 0.000 0.224 179 S C 1.958 176.369 174.600 -0.315 0.000 1.035 179 S CA 1.510 59.622 58.200 -0.148 0.000 1.018 179 S CB -0.753 62.476 63.200 0.049 0.000 0.876 179 S HN 0.718 nan 8.310 nan 0.000 0.448 180 C N 1.278 120.280 119.300 -0.496 0.000 2.425 180 C HA 0.007 4.469 4.460 0.002 0.000 0.277 180 C C 2.441 177.299 174.990 -0.219 0.000 1.280 180 C CA 0.271 59.038 59.018 -0.418 0.000 1.744 180 C CB -1.400 25.866 27.740 -0.791 0.000 1.989 180 C HN 0.547 nan 8.230 nan 0.000 0.491 181 I N -0.013 120.395 120.570 -0.271 0.000 2.142 181 I HA -0.230 3.941 4.170 0.002 0.000 0.240 181 I C 2.600 178.552 176.117 -0.276 0.000 1.078 181 I CA 1.443 62.628 61.300 -0.192 0.000 1.343 181 I CB -0.583 37.306 38.000 -0.185 0.000 1.046 181 I HN 0.354 nan 8.210 nan 0.000 0.405 182 C N -0.136 118.865 119.300 -0.499 0.000 2.413 182 C HA -0.240 4.221 4.460 0.002 0.000 0.276 182 C C 2.815 177.284 174.990 -0.870 0.000 1.248 182 C CA 0.823 59.342 59.018 -0.831 0.000 1.742 182 C CB -1.046 25.835 27.740 -1.432 0.000 2.017 182 C HN 0.511 nan 8.230 nan 0.000 0.481 183 Y N 1.012 120.837 120.300 -0.792 0.000 2.145 183 Y HA -0.193 4.359 4.550 0.003 0.000 0.286 183 Y C 2.494 178.375 175.900 -0.032 0.000 1.145 183 Y CA 1.792 59.727 58.100 -0.275 0.000 1.148 183 Y CB -0.360 38.092 38.460 -0.014 0.000 0.981 183 Y HN 0.244 nan 8.280 nan 0.000 0.507 184 M N -0.589 119.103 119.600 0.154 0.000 2.175 184 M HA -0.189 4.293 4.480 0.002 0.000 0.264 184 M C 1.718 178.185 176.300 0.277 0.000 1.063 184 M CA 1.449 56.884 55.300 0.225 0.000 1.119 184 M CB -0.306 32.382 32.600 0.147 0.000 1.377 184 M HN 0.252 nan 8.290 nan 0.000 0.415 185 L N 0.118 121.387 121.223 0.078 0.000 2.599 185 L HA 0.015 4.356 4.340 0.002 0.000 0.230 185 L C 0.430 177.300 176.870 0.000 0.000 1.141 185 L CA -0.182 54.722 54.840 0.106 0.000 0.877 185 L CB -0.912 41.121 42.059 -0.044 0.000 1.009 185 L HN 0.436 nan 8.230 nan 0.000 0.447 186 N N 2.125 120.682 118.700 -0.237 0.000 2.707 186 N HA -0.268 4.473 4.740 0.002 0.000 0.253 186 N C -0.498 174.887 175.510 -0.209 0.000 0.998 186 N CA 0.472 53.258 53.050 -0.440 0.000 0.751 186 N CB -0.908 37.008 38.487 -0.951 0.000 0.920 186 N HN 0.485 nan 8.380 nan 0.000 0.539 187 N N -0.049 118.492 118.700 -0.265 0.000 2.616 187 N HA 0.160 4.901 4.740 0.002 0.000 0.281 187 N C -0.830 174.528 175.510 -0.252 0.000 1.145 187 N CA -0.532 52.435 53.050 -0.138 0.000 0.919 187 N CB 0.031 38.459 38.487 -0.098 0.000 1.509 187 N HN 0.259 nan 8.380 nan 0.000 0.537 188 W N 2.050 123.349 121.300 -0.002 0.000 3.400 188 W HA 0.171 4.832 4.660 0.001 0.000 0.347 188 W C 1.801 178.335 176.519 0.025 0.000 1.218 188 W CA -0.145 57.211 57.345 0.018 0.000 1.837 188 W CB 0.087 29.564 29.460 0.027 0.000 1.067 188 W HN 0.651 nan 8.180 nan 0.000 0.701 189 S N -1.435 114.339 115.700 0.122 0.000 2.561 189 S HA 0.021 4.492 4.470 0.002 0.000 0.225 189 S C 1.959 176.603 174.600 0.073 0.000 0.977 189 S CA 0.775 59.031 58.200 0.093 0.000 0.926 189 S CB -0.360 62.868 63.200 0.047 0.000 0.769 189 S HN 0.263 nan 8.310 nan 0.000 0.533 190 G N 1.455 110.282 108.800 0.045 0.000 2.534 190 G HA2 0.274 4.235 3.960 0.002 0.000 0.217 190 G HA3 0.274 4.235 3.960 0.002 0.000 0.217 190 G C 0.414 175.402 174.900 0.146 0.000 1.128 190 G CA 0.649 45.773 45.100 0.040 0.000 0.784 190 G HN 0.743 nan 8.290 nan 0.000 0.542 191 M N -2.251 117.475 119.600 0.209 0.000 2.622 191 M HA 0.508 4.989 4.480 0.002 0.000 0.276 191 M C -2.102 174.334 176.300 0.226 0.000 1.265 191 M CA -1.043 54.443 55.300 0.310 0.000 0.850 191 M CB 2.166 35.064 32.600 0.495 0.000 1.720 191 M HN -0.186 nan 8.290 nan 0.000 0.465 192 D N 2.016 122.515 120.400 0.166 0.000 2.500 192 D HA 0.254 4.895 4.640 0.002 0.000 0.219 192 D C 0.621 176.994 176.300 0.122 0.000 1.137 192 D CA -0.167 53.893 54.000 0.100 0.000 0.946 192 D CB 0.888 41.707 40.800 0.032 0.000 1.022 192 D HN 0.852 nan 8.370 nan 0.000 0.518 193 M N 3.285 122.970 119.600 0.141 0.000 2.144 193 M HA -0.220 4.262 4.480 0.002 0.000 0.260 193 M C 1.890 178.221 176.300 0.051 0.000 1.067 193 M CA 1.520 56.887 55.300 0.110 0.000 1.095 193 M CB 0.140 32.762 32.600 0.037 0.000 1.365 193 M HN 0.266 nan 8.290 nan 0.000 0.406 194 K N 0.228 120.645 120.400 0.028 0.000 2.026 194 K HA -0.213 4.109 4.320 0.002 0.000 0.208 194 K C 1.782 178.394 176.600 0.020 0.000 1.048 194 K CA 1.697 57.988 56.287 0.007 0.000 0.929 194 K CB -0.046 32.454 32.500 0.001 0.000 0.713 194 K HN 0.368 nan 8.250 nan 0.000 0.439 195 K N -0.115 120.304 120.400 0.031 0.000 2.097 195 K HA -0.063 4.258 4.320 0.002 0.000 0.205 195 K C 2.131 178.776 176.600 0.076 0.000 1.050 195 K CA 0.986 57.293 56.287 0.034 0.000 0.938 195 K CB -0.057 32.443 32.500 -0.000 0.000 0.718 195 K HN 0.210 nan 8.250 nan 0.000 0.442 196 A N 1.539 124.423 122.820 0.106 0.000 1.902 196 A HA -0.138 4.184 4.320 0.002 0.000 0.217 196 A C 2.087 179.769 177.584 0.163 0.000 1.181 196 A CA 1.203 53.348 52.037 0.181 0.000 0.623 196 A CB -0.544 18.614 19.000 0.264 0.000 0.818 196 A HN 0.158 nan 8.150 nan 0.000 0.443 197 I N -0.464 120.154 120.570 0.079 0.000 2.226 197 I HA -0.239 3.932 4.170 0.002 0.000 0.245 197 I C 2.866 178.981 176.117 -0.004 0.000 1.100 197 I CA 1.536 62.839 61.300 0.005 0.000 1.374 197 I CB -0.233 37.734 38.000 -0.055 0.000 1.057 197 I HN 0.455 nan 8.210 nan 0.000 0.413 198 S N 0.205 115.920 115.700 0.025 0.000 2.370 198 S HA -0.287 4.184 4.470 0.002 0.000 0.226 198 S C 2.194 176.824 174.600 0.050 0.000 1.033 198 S CA 1.453 59.665 58.200 0.019 0.000 1.011 198 S CB -0.486 62.734 63.200 0.033 0.000 0.852 198 S HN 0.495 nan 8.310 nan 0.000 0.457 199 Y N 1.741 122.042 120.300 0.000 0.000 2.181 199 Y HA -0.050 4.501 4.550 0.002 0.000 0.288 199 Y C 1.969 177.882 175.900 0.022 0.000 1.146 199 Y CA 1.856 59.965 58.100 0.016 0.000 1.164 199 Y CB -0.385 38.097 38.460 0.037 0.000 0.982 199 Y HN 0.310 nan 8.280 nan 0.000 0.515 200 I N -0.345 120.294 120.570 0.114 0.000 2.226 200 I HA -0.328 3.843 4.170 0.002 0.000 0.245 200 I C 2.590 178.712 176.117 0.009 0.000 1.100 200 I CA 1.403 62.738 61.300 0.058 0.000 1.374 200 I CB -0.433 37.619 38.000 0.087 0.000 1.057 200 I HN 0.169 nan 8.210 nan 0.000 0.413 201 R N 0.676 121.150 120.500 -0.043 0.000 2.073 201 R HA -0.103 4.238 4.340 0.002 0.000 0.234 201 R C 2.384 178.682 176.300 -0.004 0.000 1.134 201 R CA 1.280 57.376 56.100 -0.006 0.000 0.952 201 R CB -0.254 29.991 30.300 -0.093 0.000 0.850 201 R HN 0.317 nan 8.270 nan 0.000 0.433 202 R N 0.386 120.833 120.500 -0.088 0.000 2.293 202 R HA -0.072 4.270 4.340 0.002 0.000 0.219 202 R C 2.108 178.301 176.300 -0.179 0.000 1.091 202 R CA 1.415 57.441 56.100 -0.123 0.000 1.004 202 R CB -0.098 30.114 30.300 -0.146 0.000 0.865 202 R HN 0.256 nan 8.270 nan 0.000 0.469 203 S N -0.247 115.317 115.700 -0.226 0.000 2.558 203 S HA 0.003 4.475 4.470 0.002 0.000 0.217 203 S C 0.916 175.417 174.600 -0.165 0.000 0.975 203 S CA -0.235 57.823 58.200 -0.238 0.000 0.912 203 S CB 0.009 63.040 63.200 -0.282 0.000 0.776 203 S HN 0.187 nan 8.310 nan 0.000 0.526 204 M N 3.090 122.625 119.600 -0.108 0.000 2.246 204 M HA 0.217 4.698 4.480 0.002 0.000 0.350 204 M C 0.369 176.572 176.300 -0.162 0.000 1.406 204 M CA -0.012 55.199 55.300 -0.148 0.000 1.089 204 M CB 0.765 33.319 32.600 -0.076 0.000 1.782 204 M HN 0.343 nan 8.290 nan 0.000 0.457 205 S N 3.474 119.018 115.700 -0.260 0.000 2.681 205 S HA 0.193 4.664 4.470 0.002 0.000 0.270 205 S C 0.746 175.206 174.600 -0.233 0.000 1.209 205 S CA -0.454 57.589 58.200 -0.262 0.000 0.988 205 S CB 0.519 63.456 63.200 -0.438 0.000 1.006 205 S HN 0.730 nan 8.310 nan 0.000 0.558 206 Y N 0.723 120.984 120.300 -0.065 0.000 2.352 206 Y HA 0.053 4.604 4.550 0.002 0.000 0.292 206 Y C 1.544 177.432 175.900 -0.020 0.000 1.136 206 Y CA 1.322 59.401 58.100 -0.035 0.000 1.227 206 Y CB -0.790 37.660 38.460 -0.017 0.000 0.991 206 Y HN 0.644 nan 8.280 nan 0.000 0.545 207 D N -0.939 119.020 120.400 -0.736 0.000 2.340 207 D HA -0.068 4.573 4.640 0.002 0.000 0.220 207 D C 0.161 176.362 176.300 -0.164 0.000 1.039 207 D CA 0.534 54.337 54.000 -0.327 0.000 0.866 207 D CB -0.652 39.951 40.800 -0.329 0.000 0.913 207 D HN 0.466 nan 8.370 nan 0.000 0.523 208 N N -1.136 117.391 118.700 -0.287 0.000 2.965 208 N HA -0.095 4.646 4.740 0.002 0.000 0.232 208 N C 0.656 175.854 175.510 -0.519 0.000 0.913 208 N CA 1.136 54.016 53.050 -0.283 0.000 0.981 208 N CB -1.631 36.794 38.487 -0.104 0.000 1.077 208 N HN 0.487 nan 8.380 nan 0.000 0.589 209 G N -0.066 108.118 108.800 -1.025 0.000 2.557 209 G HA2 0.610 4.571 3.960 0.002 0.000 0.292 209 G HA3 0.610 4.571 3.960 0.002 0.000 0.292 209 G C -0.280 174.107 174.900 -0.854 0.000 1.237 209 G CA -0.376 43.788 45.100 -1.561 0.000 0.978 209 G HN 0.033 nan 8.290 nan 0.000 0.498 210 L N 0.360 121.166 121.223 -0.695 0.000 2.317 210 L HA 0.685 5.027 4.340 0.002 0.000 0.281 210 L C 0.777 177.464 176.870 -0.305 0.000 1.024 210 L CA -0.572 54.045 54.840 -0.372 0.000 0.810 210 L CB 1.187 43.115 42.059 -0.217 0.000 1.240 210 L HN 0.707 nan 8.230 nan 0.000 0.427 211 A N 2.197 124.885 122.820 -0.221 0.000 2.263 211 A HA 0.500 4.821 4.320 0.002 0.000 0.318 211 A C 0.774 178.297 177.584 -0.101 0.000 1.111 211 A CA -0.352 51.597 52.037 -0.146 0.000 0.901 211 A CB 0.619 19.540 19.000 -0.132 0.000 1.280 211 A HN 0.704 nan 8.150 nan 0.000 0.503 212 Q N -0.603 119.150 119.800 -0.078 0.000 2.291 212 Q HA 0.074 4.415 4.340 0.002 0.000 0.206 212 Q C 0.740 176.763 176.000 0.039 0.000 0.976 212 Q CA 1.368 57.148 55.803 -0.038 0.000 0.875 212 Q CB -0.048 28.647 28.738 -0.073 0.000 0.927 212 Q HN 0.895 nan 8.270 nan 0.000 0.450 213 G N -1.324 107.448 108.800 -0.047 0.000 2.576 213 G HA2 0.514 4.476 3.960 0.002 0.000 0.290 213 G HA3 0.514 4.476 3.960 0.002 0.000 0.290 213 G C -1.544 173.256 174.900 -0.166 0.000 1.442 213 G CA -0.384 44.646 45.100 -0.117 0.000 0.792 213 G HN 0.140 nan 8.290 nan 0.000 0.491 214 A N -0.775 121.915 122.820 -0.218 0.000 2.565 214 A HA 0.519 4.841 4.320 0.002 0.000 0.237 214 A C 1.791 179.337 177.584 -0.063 0.000 1.053 214 A CA 1.791 53.745 52.037 -0.140 0.000 0.755 214 A CB -0.311 18.618 19.000 -0.119 0.000 0.980 214 A HN 2.851 nan 8.150 nan 0.000 0.506 215 G N 0.732 109.508 108.800 -0.041 0.000 2.304 215 G HA2 -0.205 3.757 3.960 0.002 0.000 0.252 215 G HA3 -0.205 3.757 3.960 0.002 0.000 0.252 215 G C 0.233 175.138 174.900 0.009 0.000 1.014 215 G CA 0.446 45.546 45.100 -0.000 0.000 0.619 215 G HN 0.776 nan 8.290 nan 0.000 0.525 216 L N 1.273 122.485 121.223 -0.018 0.000 2.476 216 L HA 0.455 4.796 4.340 0.002 0.000 0.255 216 L C 1.079 177.938 176.870 -0.019 0.000 1.218 216 L CA -0.458 54.375 54.840 -0.011 0.000 0.819 216 L CB 0.546 42.590 42.059 -0.025 0.000 1.119 216 L HN 0.488 nan 8.230 nan 0.000 0.485 217 E N 0.372 120.573 120.200 0.001 0.000 2.366 217 E HA 0.105 4.456 4.350 0.002 0.000 0.266 217 E C -0.257 176.323 176.600 -0.034 0.000 1.015 217 E CA -0.416 55.986 56.400 0.003 0.000 0.906 217 E CB 0.661 30.390 29.700 0.049 0.000 0.979 217 E HN 0.629 nan 8.360 nan 0.000 0.443 218 S N 4.539 120.160 115.700 -0.132 0.000 2.563 218 S HA 0.002 4.473 4.470 0.002 0.000 0.284 218 S C -0.183 174.398 174.600 -0.032 0.000 1.331 218 S CA -0.360 57.676 58.200 -0.273 0.000 1.047 218 S CB 0.799 63.589 63.200 -0.683 0.000 0.859 218 S HN 0.684 nan 8.310 nan 0.000 0.514 219 H N 0.625 119.585 119.070 -0.183 0.000 2.996 219 H HA 0.354 4.911 4.556 0.002 0.000 0.368 219 H C 1.103 176.514 175.328 0.138 0.000 1.185 219 H CA 0.007 56.087 56.048 0.053 0.000 1.160 219 H CB 1.511 31.264 29.762 -0.016 0.000 1.820 219 H HN 0.719 nan 8.280 nan 0.000 0.547 220 G N 1.807 110.611 108.800 0.007 0.000 2.442 220 G HA2 -0.253 3.708 3.960 0.002 0.000 0.219 220 G HA3 -0.253 3.708 3.960 0.002 0.000 0.219 220 G C 1.447 176.520 174.900 0.287 0.000 1.141 220 G CA 0.882 46.135 45.100 0.256 0.000 0.763 220 G HN 0.656 nan 8.290 nan 0.000 0.554 221 G N 0.892 109.902 108.800 0.350 0.000 2.404 221 G HA2 -0.151 3.811 3.960 0.002 0.000 0.215 221 G HA3 -0.151 3.811 3.960 0.002 0.000 0.215 221 G C 2.218 177.086 174.900 -0.054 0.000 1.174 221 G CA 1.799 46.813 45.100 -0.142 0.000 0.780 221 G HN 0.644 nan 8.290 nan 0.000 0.537 222 S N 0.016 115.753 115.700 0.061 0.000 2.406 222 S HA -0.072 4.399 4.470 0.002 0.000 0.228 222 S C 2.213 176.807 174.600 -0.010 0.000 1.020 222 S CA 1.769 59.958 58.200 -0.019 0.000 0.965 222 S CB -0.557 62.614 63.200 -0.048 0.000 0.798 222 S HN 0.258 nan 8.310 nan 0.000 0.488 223 T N 2.050 116.609 114.554 0.009 0.000 2.777 223 T HA 0.028 4.380 4.350 0.002 0.000 0.266 223 T C 1.277 175.991 174.700 0.024 0.000 1.040 223 T CA 1.351 63.434 62.100 -0.029 0.000 1.141 223 T CB -0.529 68.320 68.868 -0.031 0.000 0.868 223 T HN 0.503 nan 8.240 nan 0.000 0.444 224 F N 1.524 121.466 119.950 -0.014 0.000 2.102 224 F HA -0.158 4.370 4.527 0.002 0.000 0.298 224 F C 2.410 178.155 175.800 -0.091 0.000 1.105 224 F CA 0.750 58.732 58.000 -0.031 0.000 1.239 224 F CB -0.878 38.151 39.000 0.047 0.000 0.991 224 F HN 0.145 nan 8.300 nan 0.000 0.474 225 C N 1.075 120.255 119.300 -0.200 0.000 2.413 225 C HA -0.114 4.347 4.460 0.002 0.000 0.276 225 C C 3.099 178.007 174.990 -0.137 0.000 1.248 225 C CA 1.303 60.156 59.018 -0.276 0.000 1.742 225 C CB -1.976 25.744 27.740 -0.033 0.000 2.017 225 C HN 0.757 nan 8.230 nan 0.000 0.481 226 G N 0.555 109.318 108.800 -0.062 0.000 2.414 226 G HA2 -0.107 3.855 3.960 0.002 0.000 0.215 226 G HA3 -0.107 3.855 3.960 0.002 0.000 0.215 226 G C 1.380 176.286 174.900 0.010 0.000 1.188 226 G CA 0.730 45.844 45.100 0.023 0.000 0.783 226 G HN 0.345 nan 8.290 nan 0.000 0.537 227 I N 2.101 122.644 120.570 -0.045 0.000 2.163 227 I HA -0.149 4.022 4.170 0.002 0.000 0.243 227 I C 3.290 179.348 176.117 -0.097 0.000 1.085 227 I CA 1.278 62.562 61.300 -0.027 0.000 1.347 227 I CB -1.406 36.566 38.000 -0.046 0.000 1.044 227 I HN 0.261 nan 8.210 nan 0.000 0.408 228 A N 0.157 122.792 122.820 -0.308 0.000 1.933 228 A HA -0.178 4.144 4.320 0.002 0.000 0.218 228 A C 2.598 180.182 177.584 -0.001 0.000 1.175 228 A CA 2.082 53.957 52.037 -0.270 0.000 0.628 228 A CB -0.729 17.801 19.000 -0.782 0.000 0.814 228 A HN 0.427 nan 8.150 nan 0.000 0.444 229 S N -0.159 115.577 115.700 0.060 0.000 2.356 229 S HA -0.091 4.380 4.470 0.002 0.000 0.223 229 S C 1.838 176.493 174.600 0.091 0.000 1.032 229 S CA 1.441 59.725 58.200 0.140 0.000 1.005 229 S CB -0.456 62.840 63.200 0.159 0.000 0.867 229 S HN 0.528 nan 8.310 nan 0.000 0.449 230 L N 0.703 121.954 121.223 0.047 0.000 2.046 230 L HA -0.182 4.159 4.340 0.002 0.000 0.208 230 L C 2.606 179.480 176.870 0.007 0.000 1.077 230 L CA 0.947 55.792 54.840 0.008 0.000 0.747 230 L CB -0.796 41.272 42.059 0.015 0.000 0.896 230 L HN 0.422 nan 8.230 nan 0.000 0.432 231 C N -0.529 118.787 119.300 0.027 0.000 2.429 231 C HA -0.150 4.311 4.460 0.002 0.000 0.277 231 C C 2.642 177.670 174.990 0.062 0.000 1.262 231 C CA 0.188 59.227 59.018 0.036 0.000 1.733 231 C CB -0.765 26.992 27.740 0.029 0.000 2.010 231 C HN 0.401 nan 8.230 nan 0.000 0.483 232 L N 0.143 121.414 121.223 0.080 0.000 2.191 232 L HA -0.039 4.302 4.340 0.002 0.000 0.212 232 L C 2.248 179.279 176.870 0.269 0.000 1.103 232 L CA 1.753 56.681 54.840 0.148 0.000 0.769 232 L CB -0.650 41.504 42.059 0.158 0.000 0.908 232 L HN 0.379 nan 8.230 nan 0.000 0.438 233 M N -1.783 117.806 119.600 -0.019 0.000 2.502 233 M HA 0.236 4.717 4.480 0.002 0.000 0.243 233 M C 1.211 177.367 176.300 -0.238 0.000 1.130 233 M CA 0.641 55.677 55.300 -0.439 0.000 1.055 233 M CB 0.015 32.327 32.600 -0.480 0.000 1.457 233 M HN 0.285 nan 8.290 nan 0.000 0.488 234 G N 2.198 110.961 108.800 -0.062 0.000 2.272 234 G HA2 -0.266 3.695 3.960 0.002 0.000 0.280 234 G HA3 -0.266 3.695 3.960 0.002 0.000 0.280 234 G C 0.312 175.176 174.900 -0.061 0.000 1.067 234 G CA 0.341 45.425 45.100 -0.026 0.000 0.902 234 G HN 0.542 nan 8.290 nan 0.000 0.500 235 K N -0.761 119.597 120.400 -0.071 0.000 2.564 235 K HA 0.355 4.677 4.320 0.002 0.000 0.201 235 K C 2.049 178.615 176.600 -0.057 0.000 1.086 235 K CA -0.495 55.745 56.287 -0.079 0.000 1.062 235 K CB 0.324 32.749 32.500 -0.124 0.000 0.849 235 K HN 0.325 nan 8.250 nan 0.000 0.529 236 L N 1.394 122.611 121.223 -0.010 0.000 1.956 236 L HA -0.255 4.086 4.340 0.002 0.000 0.216 236 L C 1.808 178.710 176.870 0.054 0.000 1.073 236 L CA 2.024 56.889 54.840 0.042 0.000 0.762 236 L CB -0.005 42.098 42.059 0.073 0.000 0.889 236 L HN 0.289 nan 8.230 nan 0.000 0.433 237 E N -0.436 119.789 120.200 0.043 0.000 2.204 237 E HA -0.278 4.074 4.350 0.002 0.000 0.195 237 E C 1.971 178.581 176.600 0.017 0.000 0.990 237 E CA 1.250 57.677 56.400 0.045 0.000 0.821 237 E CB 0.070 29.791 29.700 0.035 0.000 0.750 237 E HN 0.455 nan 8.360 nan 0.000 0.477 238 E N -0.671 119.517 120.200 -0.020 0.000 2.299 238 E HA -0.086 4.265 4.350 0.002 0.000 0.193 238 E C 1.441 177.989 176.600 -0.088 0.000 0.998 238 E CA 0.618 56.991 56.400 -0.045 0.000 0.851 238 E CB 0.415 30.081 29.700 -0.057 0.000 0.795 238 E HN 0.126 nan 8.360 nan 0.000 0.492 239 V N 0.202 120.026 119.914 -0.150 0.000 2.685 239 V HA 0.092 4.213 4.120 0.002 0.000 0.244 239 V C 0.529 176.387 176.094 -0.393 0.000 1.054 239 V CA 0.740 62.843 62.300 -0.327 0.000 1.076 239 V CB 0.011 31.527 31.823 -0.512 0.000 0.725 239 V HN 0.089 nan 8.190 nan 0.000 0.467 240 F N 0.636 120.578 119.950 -0.013 0.000 2.469 240 F HA 0.494 5.023 4.527 0.002 0.000 0.332 240 F C 0.889 176.686 175.800 -0.005 0.000 1.103 240 F CA -0.759 57.234 58.000 -0.012 0.000 0.979 240 F CB 1.660 40.652 39.000 -0.014 0.000 1.137 240 F HN -0.015 nan 8.300 nan 0.000 0.463 241 S N 1.011 116.838 115.700 0.211 0.000 2.608 241 S HA 0.051 4.522 4.470 0.002 0.000 0.261 241 S C 1.130 175.789 174.600 0.098 0.000 1.314 241 S CA -0.352 57.916 58.200 0.113 0.000 0.992 241 S CB 1.170 64.420 63.200 0.082 0.000 0.935 241 S HN 0.881 nan 8.310 nan 0.000 0.564 242 E N 0.838 121.076 120.200 0.064 0.000 2.077 242 E HA -0.241 4.111 4.350 0.002 0.000 0.193 242 E C 1.953 178.575 176.600 0.037 0.000 0.989 242 E CA 1.430 57.860 56.400 0.050 0.000 0.800 242 E CB -0.222 29.501 29.700 0.038 0.000 0.746 242 E HN 0.779 nan 8.360 nan 0.000 0.452 243 K N 0.575 120.996 120.400 0.034 0.000 2.057 243 K HA -0.196 4.126 4.320 0.002 0.000 0.207 243 K C 1.971 178.577 176.600 0.010 0.000 1.049 243 K CA 1.800 58.100 56.287 0.022 0.000 0.931 243 K CB 0.026 32.540 32.500 0.023 0.000 0.714 243 K HN 0.151 nan 8.250 nan 0.000 0.440 244 E N 0.505 120.717 120.200 0.019 0.000 2.051 244 E HA -0.174 4.177 4.350 0.002 0.000 0.192 244 E C 2.062 178.596 176.600 -0.110 0.000 0.991 244 E CA 1.429 57.810 56.400 -0.033 0.000 0.799 244 E CB -0.104 29.629 29.700 0.055 0.000 0.748 244 E HN 0.288 nan 8.360 nan 0.000 0.449 245 L N 1.336 122.532 121.223 -0.045 0.000 2.131 245 L HA -0.195 4.146 4.340 0.002 0.000 0.210 245 L C 2.066 178.920 176.870 -0.027 0.000 1.092 245 L CA 0.617 55.426 54.840 -0.052 0.000 0.759 245 L CB -0.419 41.659 42.059 0.031 0.000 0.903 245 L HN 0.152 nan 8.230 nan 0.000 0.435 246 N N 0.238 118.935 118.700 -0.006 0.000 2.188 246 N HA -0.127 4.614 4.740 0.002 0.000 0.184 246 N C 1.936 177.449 175.510 0.005 0.000 1.018 246 N CA 1.109 54.164 53.050 0.008 0.000 0.858 246 N CB -0.137 38.357 38.487 0.011 0.000 0.989 246 N HN 0.353 nan 8.380 nan 0.000 0.426 247 R N 0.490 120.980 120.500 -0.016 0.000 2.075 247 R HA 0.098 4.439 4.340 0.002 0.000 0.232 247 R C 2.263 178.566 176.300 0.004 0.000 1.126 247 R CA 0.713 56.809 56.100 -0.008 0.000 0.963 247 R CB -0.225 30.055 30.300 -0.033 0.000 0.858 247 R HN 0.224 nan 8.270 nan 0.000 0.435 248 I N 1.064 121.592 120.570 -0.069 0.000 2.226 248 I HA -0.279 3.892 4.170 0.002 0.000 0.245 248 I C 2.096 178.261 176.117 0.080 0.000 1.100 248 I CA 1.429 62.691 61.300 -0.064 0.000 1.374 248 I CB -0.213 37.647 38.000 -0.232 0.000 1.057 248 I HN 0.119 nan 8.210 nan 0.000 0.413 249 K N 0.377 120.810 120.400 0.056 0.000 2.063 249 K HA -0.244 4.077 4.320 0.002 0.000 0.208 249 K C 2.249 178.917 176.600 0.114 0.000 1.048 249 K CA 1.434 57.779 56.287 0.096 0.000 0.928 249 K CB -0.218 32.329 32.500 0.079 0.000 0.713 249 K HN 0.063 nan 8.250 nan 0.000 0.442 250 R N 0.523 121.078 120.500 0.093 0.000 2.073 250 R HA -0.185 4.156 4.340 0.002 0.000 0.234 250 R C 1.853 178.212 176.300 0.098 0.000 1.134 250 R CA 1.704 57.849 56.100 0.076 0.000 0.952 250 R CB -0.815 29.520 30.300 0.059 0.000 0.850 250 R HN 0.393 nan 8.270 nan 0.000 0.433 251 W N -0.162 121.124 121.300 -0.024 0.000 2.358 251 W HA -0.221 4.440 4.660 0.002 0.000 0.303 251 W C 2.012 178.539 176.519 0.012 0.000 1.208 251 W CA 1.723 59.053 57.345 -0.026 0.000 1.274 251 W CB -0.520 28.900 29.460 -0.066 0.000 1.138 251 W HN 0.163 nan 8.180 nan 0.000 0.515 252 C N -0.294 119.189 119.300 0.306 0.000 2.453 252 C HA -0.172 4.289 4.460 0.002 0.000 0.277 252 C C 2.667 177.701 174.990 0.073 0.000 1.262 252 C CA 1.150 60.295 59.018 0.211 0.000 1.718 252 C CB -1.499 26.408 27.740 0.279 0.000 2.031 252 C HN 0.436 nan 8.230 nan 0.000 0.480 253 I N 0.511 121.135 120.570 0.089 0.000 2.756 253 I HA -0.133 4.038 4.170 0.002 0.000 0.262 253 I C 1.986 178.080 176.117 -0.039 0.000 1.225 253 I CA 1.076 62.425 61.300 0.083 0.000 1.472 253 I CB -0.066 37.989 38.000 0.092 0.000 1.094 253 I HN 0.269 nan 8.210 nan 0.000 0.454 254 M N -0.248 119.275 119.600 -0.129 0.000 2.619 254 M HA -0.004 4.477 4.480 0.002 0.000 0.251 254 M C 1.686 177.817 176.300 -0.282 0.000 1.106 254 M CA 0.807 55.986 55.300 -0.203 0.000 1.086 254 M CB -0.809 31.655 32.600 -0.227 0.000 1.465 254 M HN 0.156 nan 8.290 nan 0.000 0.506 255 R N 0.323 120.659 120.500 -0.274 0.000 2.235 255 R HA 0.029 4.370 4.340 0.002 0.000 0.213 255 R C 0.871 176.866 176.300 -0.509 0.000 1.059 255 R CA 0.202 56.133 56.100 -0.282 0.000 0.997 255 R CB -0.587 29.689 30.300 -0.041 0.000 0.884 255 R HN 0.534 nan 8.270 nan 0.000 0.462 256 Q N 1.145 120.639 119.800 -0.511 0.000 2.295 256 Q HA -0.002 4.339 4.340 0.002 0.000 0.259 256 Q C 0.211 175.856 176.000 -0.592 0.000 0.976 256 Q CA 0.007 55.299 55.803 -0.853 0.000 0.923 256 Q CB 0.887 29.100 28.738 -0.876 0.000 1.185 256 Q HN -0.022 nan 8.270 nan 0.000 0.410 257 Q N 2.717 122.165 119.800 -0.588 0.000 2.442 257 Q HA 0.106 4.447 4.340 0.002 0.000 0.228 257 Q C 0.213 176.031 176.000 -0.303 0.000 0.902 257 Q CA 1.400 56.959 55.803 -0.408 0.000 0.933 257 Q CB 0.591 29.084 28.738 -0.408 0.000 1.071 257 Q HN 0.866 nan 8.270 nan 0.000 0.562 258 N N -1.171 117.329 118.700 -0.334 0.000 2.529 258 N HA 0.055 4.796 4.740 0.002 0.000 0.328 258 N C 0.771 176.151 175.510 -0.217 0.000 0.606 258 N CA 0.418 53.352 53.050 -0.193 0.000 1.182 258 N CB -0.254 38.178 38.487 -0.092 0.000 1.946 258 N HN 0.099 nan 8.380 nan 0.000 1.584 259 G N -0.983 107.626 108.800 -0.317 0.000 2.641 259 G HA2 0.573 4.535 3.960 0.002 0.000 0.239 259 G HA3 0.573 4.535 3.960 0.002 0.000 0.239 259 G C -1.456 173.246 174.900 -0.329 0.000 1.402 259 G CA -0.307 44.664 45.100 -0.215 0.000 1.046 259 G HN 0.124 nan 8.290 nan 0.000 0.565 260 Y N -0.552 119.682 120.300 -0.110 0.000 2.446 260 Y HA 0.436 4.987 4.550 0.002 0.000 0.345 260 Y C 0.614 176.526 175.900 0.020 0.000 0.984 260 Y CA -0.868 57.195 58.100 -0.063 0.000 1.058 260 Y CB 1.724 40.231 38.460 0.077 0.000 1.220 260 Y HN 0.714 nan 8.280 nan 0.000 0.455 261 H N -1.372 117.680 119.070 -0.031 0.000 2.595 261 H HA 0.622 5.180 4.556 0.002 0.000 0.346 261 H C 0.435 175.426 175.328 -0.562 0.000 1.181 261 H CA -0.894 55.024 56.048 -0.216 0.000 1.242 261 H CB 1.994 31.640 29.762 -0.194 0.000 1.652 261 H HN 0.827 nan 8.280 nan 0.000 0.548 262 G N 0.244 108.463 108.800 -0.967 0.000 2.838 262 G HA2 0.130 4.091 3.960 0.002 0.000 0.210 262 G HA3 0.130 4.091 3.960 0.002 0.000 0.210 262 G C 0.366 174.842 174.900 -0.708 0.000 1.153 262 G CA -0.240 44.086 45.100 -1.290 0.000 0.778 262 G HN 0.553 nan 8.290 nan 0.000 0.539 263 R N -0.713 119.374 120.500 -0.688 0.000 2.643 263 R HA 0.312 4.653 4.340 0.002 0.000 0.269 263 R C -3.134 172.653 176.300 -0.855 0.000 1.037 263 R CA -1.805 54.004 56.100 -0.484 0.000 0.894 263 R CB 1.944 32.112 30.300 -0.219 0.000 1.238 263 R HN -0.146 nan 8.270 nan 0.000 0.459 264 P HA -0.056 nan 4.420 nan 0.000 0.265 264 P C -0.532 176.601 177.300 -0.277 0.000 1.187 264 P CA 0.401 63.289 63.100 -0.354 0.000 0.766 264 P CB 0.337 31.963 31.700 -0.123 0.000 0.820 265 N N -0.722 117.896 118.700 -0.136 0.000 2.741 265 N HA -0.168 4.574 4.740 0.002 0.000 0.251 265 N C -0.338 175.125 175.510 -0.078 0.000 1.112 265 N CA 1.287 54.302 53.050 -0.059 0.000 0.750 265 N CB -0.787 37.678 38.487 -0.038 0.000 1.119 265 N HN 0.489 nan 8.380 nan 0.000 0.561 266 K N 0.595 120.893 120.400 -0.170 0.000 2.208 266 K HA 0.473 4.795 4.320 0.002 0.000 0.247 266 K C -2.191 174.441 176.600 0.052 0.000 0.953 266 K CA -1.473 54.761 56.287 -0.088 0.000 0.837 266 K CB 1.803 34.194 32.500 -0.182 0.000 1.131 266 K HN -0.078 nan 8.250 nan 0.000 0.431 267 P HA 0.002 nan 4.420 nan 0.000 0.271 267 P C 0.210 177.630 177.300 0.199 0.000 1.218 267 P CA -0.421 62.732 63.100 0.088 0.000 0.780 267 P CB 0.495 32.191 31.700 -0.007 0.000 0.901 268 V N -0.862 119.106 119.914 0.091 0.000 3.139 268 V HA 0.327 4.449 4.120 0.002 0.000 0.307 268 V C 0.087 176.396 176.094 0.358 0.000 1.095 268 V CA 0.100 62.438 62.300 0.063 0.000 1.160 268 V CB 0.342 31.940 31.823 -0.374 0.000 1.003 268 V HN 0.623 nan 8.190 nan 0.000 0.489 269 D N 1.420 122.072 120.400 0.419 0.000 2.890 269 D HA 0.300 4.941 4.640 0.002 0.000 0.233 269 D C 0.787 177.416 176.300 0.548 0.000 1.306 269 D CA -0.018 54.319 54.000 0.563 0.000 0.929 269 D CB 2.214 43.398 40.800 0.640 0.000 1.512 269 D HN 0.662 nan 8.370 nan 0.000 0.568 270 T N 1.893 116.798 114.554 0.585 0.000 2.649 270 T HA -0.237 4.114 4.350 0.002 0.000 0.268 270 T C 2.029 176.860 174.700 0.219 0.000 1.036 270 T CA 2.370 64.741 62.100 0.452 0.000 1.157 270 T CB -0.608 68.452 68.868 0.320 0.000 0.861 270 T HN 0.788 nan 8.240 nan 0.000 0.445 271 C N 0.297 119.690 119.300 0.155 0.000 2.409 271 C HA -0.050 4.411 4.460 0.002 0.000 0.284 271 C C 2.191 176.908 174.990 -0.456 0.000 1.354 271 C CA -0.185 58.675 59.018 -0.263 0.000 1.787 271 C CB -2.127 25.343 27.740 -0.450 0.000 1.900 271 C HN 0.510 nan 8.230 nan 0.000 0.520 272 Y N 1.755 122.139 120.300 0.140 0.000 2.561 272 Y HA 0.023 4.574 4.550 0.002 0.000 0.291 272 Y C 2.823 178.672 175.900 -0.085 0.000 1.141 272 Y CA 1.335 59.525 58.100 0.150 0.000 1.303 272 Y CB -0.542 38.059 38.460 0.236 0.000 1.015 272 Y HN 0.330 nan 8.280 nan 0.000 0.547 273 S N -0.402 115.297 115.700 -0.002 0.000 2.442 273 S HA -0.165 4.307 4.470 0.002 0.000 0.236 273 S C 1.643 176.030 174.600 -0.355 0.000 1.007 273 S CA 1.187 59.285 58.200 -0.170 0.000 0.965 273 S CB -0.359 62.849 63.200 0.012 0.000 0.773 273 S HN 0.551 nan 8.310 nan 0.000 0.504 274 F N 0.028 119.683 119.950 -0.492 0.000 2.315 274 F HA 0.206 4.735 4.527 0.002 0.000 0.284 274 F C 1.591 177.043 175.800 -0.579 0.000 1.049 274 F CA 0.038 57.676 58.000 -0.602 0.000 1.323 274 F CB -0.677 37.908 39.000 -0.691 0.000 1.113 274 F HN 0.158 nan 8.300 nan 0.000 0.544 275 W N 0.543 121.451 121.300 -0.653 0.000 2.301 275 W HA -0.257 4.404 4.660 0.002 0.000 0.325 275 W C 2.343 178.647 176.519 -0.359 0.000 1.250 275 W CA 1.690 58.644 57.345 -0.651 0.000 1.261 275 W CB -0.969 28.267 29.460 -0.372 0.000 1.157 275 W HN -0.152 nan 8.180 nan 0.000 0.473 276 V N 0.250 120.177 119.914 0.023 0.000 2.346 276 V HA -0.098 4.023 4.120 0.002 0.000 0.244 276 V C 2.395 178.337 176.094 -0.253 0.000 1.037 276 V CA 1.929 64.222 62.300 -0.013 0.000 1.029 276 V CB -1.628 30.228 31.823 0.055 0.000 0.663 276 V HN 0.386 nan 8.190 nan 0.000 0.454 277 G N 0.156 108.611 108.800 -0.576 0.000 2.476 277 G HA2 -0.277 3.684 3.960 0.002 0.000 0.218 277 G HA3 -0.277 3.684 3.960 0.002 0.000 0.218 277 G C 1.747 176.227 174.900 -0.699 0.000 1.164 277 G CA 1.246 45.928 45.100 -0.696 0.000 0.768 277 G HN 0.608 nan 8.290 nan 0.000 0.560 278 A N -0.011 122.373 122.820 -0.727 0.000 1.972 278 A HA 0.024 4.346 4.320 0.002 0.000 0.219 278 A C 2.528 179.992 177.584 -0.200 0.000 1.169 278 A CA 2.382 54.070 52.037 -0.582 0.000 0.635 278 A CB -0.746 17.619 19.000 -1.058 0.000 0.810 278 A HN 0.318 nan 8.150 nan 0.000 0.446 279 T N 0.424 114.934 114.554 -0.073 0.000 2.777 279 T HA -0.049 4.303 4.350 0.002 0.000 0.266 279 T C 1.810 176.528 174.700 0.029 0.000 1.040 279 T CA 1.349 63.470 62.100 0.036 0.000 1.141 279 T CB -0.360 68.576 68.868 0.114 0.000 0.868 279 T HN 0.362 nan 8.240 nan 0.000 0.444 280 L N 0.699 121.947 121.223 0.041 0.000 2.042 280 L HA -0.130 4.211 4.340 0.002 0.000 0.210 280 L C 2.633 179.582 176.870 0.132 0.000 1.076 280 L CA 1.232 56.159 54.840 0.144 0.000 0.749 280 L CB -0.414 41.825 42.059 0.300 0.000 0.893 280 L HN 0.177 nan 8.230 nan 0.000 0.432 281 K N 0.813 121.224 120.400 0.018 0.000 2.057 281 K HA -0.150 4.171 4.320 0.002 0.000 0.207 281 K C 1.946 178.554 176.600 0.013 0.000 1.049 281 K CA 1.528 57.822 56.287 0.011 0.000 0.931 281 K CB -0.362 32.041 32.500 -0.161 0.000 0.714 281 K HN 0.172 nan 8.250 nan 0.000 0.440 282 L N 0.321 121.539 121.223 -0.008 0.000 2.191 282 L HA -0.090 4.251 4.340 0.002 0.000 0.212 282 L C 1.700 178.590 176.870 0.033 0.000 1.103 282 L CA 0.804 55.647 54.840 0.004 0.000 0.769 282 L CB -0.252 41.803 42.059 -0.006 0.000 0.908 282 L HN 0.173 nan 8.230 nan 0.000 0.438 283 L N -0.580 120.676 121.223 0.054 0.000 2.629 283 L HA 0.037 4.378 4.340 0.002 0.000 0.230 283 L C 0.483 177.407 176.870 0.089 0.000 1.151 283 L CA -0.159 54.724 54.840 0.072 0.000 0.924 283 L CB -0.147 41.961 42.059 0.082 0.000 1.137 283 L HN 0.113 nan 8.230 nan 0.000 0.457 284 K N 0.402 120.850 120.400 0.080 0.000 3.069 284 K HA -0.200 4.121 4.320 0.002 0.000 0.267 284 K C 0.538 177.189 176.600 0.084 0.000 1.082 284 K CA 1.181 57.511 56.287 0.073 0.000 0.782 284 K CB -1.572 30.967 32.500 0.065 0.000 1.230 284 K HN 0.687 nan 8.250 nan 0.000 0.488 285 I N -5.060 115.588 120.570 0.130 0.000 4.160 285 I HA 0.252 4.423 4.170 0.002 0.000 0.325 285 I C 1.227 177.433 176.117 0.148 0.000 1.455 285 I CA -0.670 60.732 61.300 0.169 0.000 1.142 285 I CB 0.166 38.363 38.000 0.327 0.000 1.262 285 I HN -0.020 nan 8.210 nan 0.000 0.483 286 F N 3.441 123.406 119.950 0.024 0.000 2.269 286 F HA -0.172 4.357 4.527 0.002 0.000 0.301 286 F C 2.500 178.385 175.800 0.142 0.000 1.082 286 F CA 2.298 60.348 58.000 0.084 0.000 1.360 286 F CB -0.085 38.938 39.000 0.038 0.000 1.041 286 F HN 0.373 nan 8.300 nan 0.000 0.512 287 Q N -1.353 118.366 119.800 -0.136 0.000 2.291 287 Q HA -0.243 4.098 4.340 0.002 0.000 0.206 287 Q C 1.143 176.870 176.000 -0.455 0.000 0.976 287 Q CA 1.900 57.492 55.803 -0.353 0.000 0.875 287 Q CB -1.049 27.377 28.738 -0.520 0.000 0.927 287 Q HN 0.614 nan 8.270 nan 0.000 0.450 288 Y N 2.152 122.402 120.300 -0.084 0.000 2.466 288 Y HA 0.122 4.673 4.550 0.002 0.000 0.272 288 Y C 1.153 176.997 175.900 -0.093 0.000 1.169 288 Y CA -0.121 57.925 58.100 -0.091 0.000 1.285 288 Y CB 0.464 38.901 38.460 -0.038 0.000 1.078 288 Y HN 0.162 nan 8.280 nan 0.000 0.523 289 T N -1.811 112.735 114.554 -0.013 0.000 2.824 289 T HA 0.072 4.423 4.350 0.002 0.000 0.277 289 T C 0.054 174.769 174.700 0.025 0.000 0.975 289 T CA -0.971 61.132 62.100 0.005 0.000 0.966 289 T CB 1.194 70.038 68.868 -0.040 0.000 1.054 289 T HN 0.098 nan 8.240 nan 0.000 0.533 290 N N 0.520 119.251 118.700 0.051 0.000 2.437 290 N HA 0.159 4.901 4.740 0.002 0.000 0.243 290 N C 0.287 175.930 175.510 0.222 0.000 1.041 290 N CA -0.549 52.543 53.050 0.070 0.000 0.940 290 N CB -0.051 38.439 38.487 0.004 0.000 1.133 290 N HN 0.716 nan 8.380 nan 0.000 0.506 291 F N 1.452 121.349 119.950 -0.088 0.000 2.113 291 F HA -0.114 4.415 4.527 0.002 0.000 0.297 291 F C 2.344 178.152 175.800 0.013 0.000 1.103 291 F CA 0.500 58.476 58.000 -0.041 0.000 1.248 291 F CB 0.212 39.182 39.000 -0.051 0.000 0.999 291 F HN 0.566 nan 8.300 nan 0.000 0.475 292 E N 1.372 121.699 120.200 0.210 0.000 2.038 292 E HA -0.263 4.088 4.350 0.002 0.000 0.195 292 E C 1.960 178.623 176.600 0.104 0.000 1.000 292 E CA 1.538 58.014 56.400 0.128 0.000 0.803 292 E CB -0.103 29.647 29.700 0.084 0.000 0.750 292 E HN 0.378 nan 8.360 nan 0.000 0.448 293 K N 0.235 120.685 120.400 0.084 0.000 2.147 293 K HA -0.151 4.170 4.320 0.002 0.000 0.205 293 K C 2.118 178.786 176.600 0.114 0.000 1.049 293 K CA 1.227 57.557 56.287 0.072 0.000 0.936 293 K CB -0.190 32.320 32.500 0.018 0.000 0.722 293 K HN 0.082 nan 8.250 nan 0.000 0.446 294 N N 1.674 120.448 118.700 0.123 0.000 2.080 294 N HA -0.181 4.560 4.740 0.002 0.000 0.189 294 N C 1.729 177.350 175.510 0.185 0.000 1.036 294 N CA 1.413 54.578 53.050 0.190 0.000 0.846 294 N CB -0.066 38.572 38.487 0.251 0.000 1.015 294 N HN 0.059 nan 8.380 nan 0.000 0.423 295 R N 0.112 120.682 120.500 0.117 0.000 2.091 295 R HA -0.083 4.259 4.340 0.002 0.000 0.238 295 R C 1.541 177.903 176.300 0.103 0.000 1.136 295 R CA 1.657 57.804 56.100 0.079 0.000 0.959 295 R CB -0.264 30.073 30.300 0.061 0.000 0.856 295 R HN 0.265 nan 8.270 nan 0.000 0.437 296 N N -0.138 118.632 118.700 0.115 0.000 2.104 296 N HA -0.221 4.520 4.740 0.002 0.000 0.190 296 N C 1.466 177.042 175.510 0.111 0.000 1.024 296 N CA 1.433 54.547 53.050 0.106 0.000 0.853 296 N CB -0.607 37.940 38.487 0.100 0.000 1.008 296 N HN 0.326 nan 8.380 nan 0.000 0.424 297 Y N 1.603 121.951 120.300 0.080 0.000 2.145 297 Y HA -0.067 4.485 4.550 0.002 0.000 0.286 297 Y C 2.207 178.185 175.900 0.130 0.000 1.145 297 Y CA 1.308 59.466 58.100 0.097 0.000 1.148 297 Y CB -0.475 38.040 38.460 0.091 0.000 0.981 297 Y HN -0.023 nan 8.280 nan 0.000 0.507 298 I N -0.066 120.533 120.570 0.048 0.000 2.118 298 I HA -0.385 3.786 4.170 0.002 0.000 0.241 298 I C 2.352 178.514 176.117 0.075 0.000 1.070 298 I CA 1.745 63.037 61.300 -0.013 0.000 1.327 298 I CB -0.609 37.369 38.000 -0.037 0.000 1.034 298 I HN 0.274 nan 8.210 nan 0.000 0.405 299 L N 0.515 121.818 121.223 0.134 0.000 2.191 299 L HA -0.171 4.170 4.340 0.002 0.000 0.212 299 L C 2.686 179.612 176.870 0.093 0.000 1.103 299 L CA 1.472 56.451 54.840 0.231 0.000 0.769 299 L CB -0.657 41.511 42.059 0.182 0.000 0.908 299 L HN 0.395 nan 8.230 nan 0.000 0.438 300 S N -1.499 114.180 115.700 -0.035 0.000 2.507 300 S HA -0.118 4.353 4.470 0.002 0.000 0.235 300 S C 1.683 176.226 174.600 -0.096 0.000 0.988 300 S CA 1.105 59.257 58.200 -0.080 0.000 0.944 300 S CB -0.624 62.503 63.200 -0.122 0.000 0.762 300 S HN 0.566 nan 8.310 nan 0.000 0.526 301 T N -1.708 112.797 114.554 -0.080 0.000 3.092 301 T HA 0.244 4.595 4.350 0.002 0.000 0.258 301 T C 0.316 175.036 174.700 0.035 0.000 1.031 301 T CA -0.521 61.574 62.100 -0.008 0.000 0.925 301 T CB -0.247 68.623 68.868 0.004 0.000 1.036 301 T HN 0.511 nan 8.240 nan 0.000 0.544 302 Q N 1.738 121.515 119.800 -0.039 0.000 2.304 302 Q HA 0.113 4.454 4.340 0.002 0.000 0.260 302 Q C -0.850 174.975 176.000 -0.292 0.000 0.965 302 Q CA -0.411 55.134 55.803 -0.431 0.000 0.898 302 Q CB 0.548 29.061 28.738 -0.374 0.000 1.196 302 Q HN 0.208 nan 8.270 nan 0.000 0.402 303 D N 4.002 124.192 120.400 -0.351 0.000 2.411 303 D HA 0.079 4.720 4.640 0.002 0.000 0.225 303 D C 0.322 176.472 176.300 -0.250 0.000 1.156 303 D CA -0.013 53.853 54.000 -0.224 0.000 0.874 303 D CB 0.594 41.279 40.800 -0.191 0.000 1.034 303 D HN 0.631 nan 8.370 nan 0.000 0.502 304 R N 2.611 122.997 120.500 -0.191 0.000 2.285 304 R HA -0.051 4.290 4.340 0.002 0.000 0.213 304 R C 1.507 177.706 176.300 -0.168 0.000 1.068 304 R CA 0.197 56.182 56.100 -0.191 0.000 1.004 304 R CB 0.431 30.652 30.300 -0.131 0.000 0.873 304 R HN 0.438 nan 8.270 nan 0.000 0.467 305 L N 0.219 121.362 121.223 -0.134 0.000 2.265 305 L HA 0.021 4.362 4.340 0.002 0.000 0.195 305 L C 2.004 178.813 176.870 -0.102 0.000 1.083 305 L CA 1.349 56.127 54.840 -0.104 0.000 0.798 305 L CB -0.399 41.618 42.059 -0.070 0.000 0.989 305 L HN 0.077 nan 8.230 nan 0.000 0.472 306 V N -0.891 118.973 119.914 -0.084 0.000 3.590 306 V HA 0.448 4.569 4.120 0.002 0.000 0.265 306 V C 0.845 176.946 176.094 0.012 0.000 1.239 306 V CA 0.667 62.956 62.300 -0.019 0.000 1.117 306 V CB -0.311 31.536 31.823 0.040 0.000 0.818 306 V HN 0.637 nan 8.190 nan 0.000 0.451 307 G N -0.753 107.938 108.800 -0.182 0.000 2.712 307 G HA2 0.401 4.363 3.960 0.002 0.000 0.683 307 G HA3 0.401 4.363 3.960 0.002 0.000 0.683 307 G C 0.569 175.056 174.900 -0.688 0.000 1.320 307 G CA -0.297 44.590 45.100 -0.355 0.000 0.847 307 G HN 2.431 nan 8.290 nan 0.000 0.553 308 G N -1.836 106.503 108.800 -0.768 0.000 2.782 308 G HA2 0.374 4.336 3.960 0.002 0.000 0.228 308 G HA3 0.374 4.336 3.960 0.002 0.000 0.228 308 G C -0.404 173.967 174.900 -0.882 0.000 1.372 308 G CA 0.320 44.616 45.100 -1.340 0.000 0.862 308 G HN 1.841 nan 8.290 nan 0.000 0.547 309 F N -0.113 119.561 119.950 -0.460 0.000 2.603 309 F HA 0.839 5.367 4.527 0.002 0.000 0.317 309 F C 0.799 176.534 175.800 -0.108 0.000 1.066 309 F CA 0.030 57.906 58.000 -0.207 0.000 0.941 309 F CB 2.092 41.004 39.000 -0.147 0.000 1.291 309 F HN 1.036 nan 8.300 nan 0.000 0.472 310 A N 0.930 123.814 122.820 0.106 0.000 2.344 310 A HA 0.554 4.875 4.320 0.002 0.000 0.307 310 A C 0.736 178.192 177.584 -0.213 0.000 1.151 310 A CA -0.583 51.416 52.037 -0.064 0.000 0.842 310 A CB 1.397 20.380 19.000 -0.029 0.000 1.350 310 A HN 0.890 nan 8.150 nan 0.000 0.459 311 K N -0.956 119.050 120.400 -0.657 0.000 2.103 311 K HA -0.014 4.307 4.320 0.002 0.000 0.204 311 K C -0.406 176.150 176.600 -0.073 0.000 1.052 311 K CA 0.711 56.644 56.287 -0.591 0.000 0.945 311 K CB 0.005 31.924 32.500 -0.968 0.000 0.722 311 K HN 0.562 nan 8.250 nan 0.000 0.443 312 W N 1.618 122.946 121.300 0.046 0.000 2.882 312 W HA 0.415 5.076 4.660 0.002 0.000 0.345 312 W C -2.606 173.930 176.519 0.028 0.000 1.125 312 W CA -3.166 54.250 57.345 0.120 0.000 1.167 312 W CB 0.344 29.870 29.460 0.111 0.000 1.431 312 W HN -0.178 nan 8.180 nan 0.000 0.543 313 P HA -0.009 nan 4.420 nan 0.000 0.272 313 P C -0.199 177.174 177.300 0.123 0.000 1.223 313 P CA 0.460 63.622 63.100 0.102 0.000 0.784 313 P CB 0.764 32.492 31.700 0.047 0.000 0.923 314 D N -1.966 118.481 120.400 0.078 0.000 2.723 314 D HA -0.140 4.502 4.640 0.002 0.000 0.236 314 D C -0.102 176.256 176.300 0.098 0.000 1.138 314 D CA 1.230 55.277 54.000 0.078 0.000 0.676 314 D CB -1.698 39.140 40.800 0.062 0.000 1.069 314 D HN 0.361 nan 8.370 nan 0.000 0.430 315 S N -1.572 114.194 115.700 0.109 0.000 2.599 315 S HA 0.442 4.913 4.470 0.002 0.000 0.287 315 S C -0.581 174.101 174.600 0.136 0.000 1.105 315 S CA -0.665 57.583 58.200 0.079 0.000 0.899 315 S CB 1.263 64.534 63.200 0.118 0.000 1.100 315 S HN 0.229 nan 8.310 nan 0.000 0.482 316 H N 2.518 121.614 119.070 0.044 0.000 2.683 316 H HA 0.293 4.851 4.556 0.002 0.000 0.339 316 H C -1.933 173.423 175.328 0.046 0.000 1.081 316 H CA -1.572 54.508 56.048 0.054 0.000 1.432 316 H CB 0.672 30.486 29.762 0.086 0.000 1.462 316 H HN 0.441 nan 8.280 nan 0.000 0.557 317 P HA 0.059 nan 4.420 nan 0.000 0.276 317 P C -1.070 176.387 177.300 0.260 0.000 1.244 317 P CA -0.370 62.788 63.100 0.095 0.000 0.801 317 P CB 1.485 33.121 31.700 -0.107 0.000 1.006 318 D N -0.988 119.585 120.400 0.289 0.000 2.596 318 D HA 0.460 5.101 4.640 0.002 0.000 0.262 318 D C 0.853 177.406 176.300 0.422 0.000 1.210 318 D CA -0.986 53.257 54.000 0.405 0.000 0.873 318 D CB 0.405 41.415 40.800 0.350 0.000 1.408 318 D HN 0.169 nan 8.370 nan 0.000 0.441 319 A N 0.258 123.325 122.820 0.413 0.000 1.940 319 A HA -0.121 4.200 4.320 0.002 0.000 0.219 319 A C 1.973 179.584 177.584 0.044 0.000 1.176 319 A CA 1.533 53.819 52.037 0.415 0.000 0.631 319 A CB -0.973 18.270 19.000 0.405 0.000 0.814 319 A HN 0.637 nan 8.150 nan 0.000 0.446 320 L N -1.468 119.637 121.223 -0.198 0.000 2.027 320 L HA -0.193 4.148 4.340 0.002 0.000 0.206 320 L C 2.468 179.077 176.870 -0.436 0.000 1.074 320 L CA 2.191 56.559 54.840 -0.786 0.000 0.745 320 L CB -0.372 41.449 42.059 -0.397 0.000 0.898 320 L HN 0.542 nan 8.230 nan 0.000 0.433 321 H N -0.631 118.412 119.070 -0.044 0.000 2.462 321 H HA 0.024 4.581 4.556 0.002 0.000 0.292 321 H C 2.184 177.495 175.328 -0.028 0.000 1.049 321 H CA 1.080 57.126 56.048 -0.004 0.000 1.334 321 H CB -0.155 29.632 29.762 0.041 0.000 1.404 321 H HN 0.518 nan 8.280 nan 0.000 0.544 322 A N 0.436 123.320 122.820 0.106 0.000 1.877 322 A HA -0.242 4.079 4.320 0.002 0.000 0.216 322 A C 2.102 179.760 177.584 0.124 0.000 1.186 322 A CA 1.686 53.790 52.037 0.111 0.000 0.620 322 A CB -0.982 17.942 19.000 -0.127 0.000 0.822 322 A HN 0.527 nan 8.150 nan 0.000 0.443 323 Y N -0.583 119.679 120.300 -0.064 0.000 2.114 323 Y HA -0.176 4.375 4.550 0.002 0.000 0.284 323 Y C 1.977 177.532 175.900 -0.576 0.000 1.143 323 Y CA 1.755 59.659 58.100 -0.327 0.000 1.135 323 Y CB -0.631 37.420 38.460 -0.681 0.000 0.980 323 Y HN 0.281 nan 8.280 nan 0.000 0.499 324 F N -0.258 119.320 119.950 -0.620 0.000 2.293 324 F HA -0.035 4.493 4.527 0.002 0.000 0.300 324 F C 2.551 177.972 175.800 -0.631 0.000 1.086 324 F CA 0.840 58.356 58.000 -0.807 0.000 1.375 324 F CB -0.677 37.864 39.000 -0.764 0.000 1.045 324 F HN 0.160 nan 8.300 nan 0.000 0.516 325 G N 0.335 108.884 108.800 -0.418 0.000 2.402 325 G HA2 -0.194 3.767 3.960 0.002 0.000 0.216 325 G HA3 -0.194 3.767 3.960 0.002 0.000 0.216 325 G C 1.684 176.140 174.900 -0.741 0.000 1.162 325 G CA 0.689 45.396 45.100 -0.655 0.000 0.777 325 G HN 0.328 nan 8.290 nan 0.000 0.539 326 I N 0.271 120.456 120.570 -0.642 0.000 2.252 326 I HA -0.164 4.008 4.170 0.002 0.000 0.245 326 I C 2.656 178.497 176.117 -0.461 0.000 1.102 326 I CA 0.519 61.546 61.300 -0.455 0.000 1.385 326 I CB -0.143 37.761 38.000 -0.160 0.000 1.064 326 I HN 0.180 nan 8.210 nan 0.000 0.414 327 C N 0.749 119.690 119.300 -0.599 0.000 2.435 327 C HA -0.063 4.399 4.460 0.002 0.000 0.279 327 C C 2.900 177.720 174.990 -0.283 0.000 1.321 327 C CA 0.923 59.630 59.018 -0.519 0.000 1.752 327 C CB -1.671 25.534 27.740 -0.891 0.000 1.959 327 C HN 0.665 nan 8.230 nan 0.000 0.500 328 G N 0.292 108.917 108.800 -0.292 0.000 2.404 328 G HA2 -0.136 3.825 3.960 0.002 0.000 0.215 328 G HA3 -0.136 3.825 3.960 0.002 0.000 0.215 328 G C 1.407 176.152 174.900 -0.258 0.000 1.174 328 G CA 0.551 45.508 45.100 -0.238 0.000 0.780 328 G HN 0.340 nan 8.290 nan 0.000 0.537 329 L N 1.290 122.327 121.223 -0.309 0.000 2.083 329 L HA -0.018 4.323 4.340 0.002 0.000 0.209 329 L C 3.081 179.793 176.870 -0.264 0.000 1.083 329 L CA 1.887 56.546 54.840 -0.303 0.000 0.752 329 L CB -1.023 40.776 42.059 -0.434 0.000 0.899 329 L HN 0.339 nan 8.230 nan 0.000 0.433 330 S N -0.835 114.707 115.700 -0.263 0.000 2.370 330 S HA -0.183 4.288 4.470 0.002 0.000 0.226 330 S C 2.034 176.544 174.600 -0.151 0.000 1.033 330 S CA 0.934 59.019 58.200 -0.191 0.000 1.011 330 S CB -0.209 62.883 63.200 -0.179 0.000 0.852 330 S HN 0.254 nan 8.310 nan 0.000 0.457 331 L N 1.084 122.183 121.223 -0.206 0.000 2.187 331 L HA 0.107 4.449 4.340 0.002 0.000 0.213 331 L C 2.116 178.941 176.870 -0.075 0.000 1.100 331 L CA 1.709 56.394 54.840 -0.259 0.000 0.765 331 L CB -0.803 40.868 42.059 -0.647 0.000 0.904 331 L HN 0.485 nan 8.230 nan 0.000 0.437 332 M N -1.504 118.019 119.600 -0.129 0.000 2.383 332 M HA 0.094 4.575 4.480 0.002 0.000 0.247 332 M C -0.224 176.090 176.300 0.024 0.000 1.117 332 M CA 0.038 55.220 55.300 -0.197 0.000 0.995 332 M CB 0.199 32.460 32.600 -0.564 0.000 1.480 332 M HN 0.070 nan 8.290 nan 0.000 0.485 333 E N 1.562 121.759 120.200 -0.005 0.000 2.260 333 E HA -0.182 4.170 4.350 0.002 0.000 0.204 333 E C -0.182 176.409 176.600 -0.016 0.000 1.319 333 E CA 0.177 56.582 56.400 0.008 0.000 0.679 333 E CB -0.975 28.767 29.700 0.069 0.000 1.158 333 E HN 0.378 nan 8.360 nan 0.000 0.376 334 E N 1.117 121.262 120.200 -0.091 0.000 2.354 334 E HA 0.196 4.547 4.350 0.002 0.000 0.269 334 E C -0.363 176.184 176.600 -0.088 0.000 1.036 334 E CA -0.100 56.224 56.400 -0.127 0.000 0.876 334 E CB 0.766 30.286 29.700 -0.300 0.000 1.009 334 E HN 0.247 nan 8.360 nan 0.000 0.416 335 S N 2.596 118.277 115.700 -0.032 0.000 2.548 335 S HA 0.537 5.009 4.470 0.002 0.000 0.277 335 S C 1.070 175.697 174.600 0.045 0.000 1.315 335 S CA -0.169 58.039 58.200 0.014 0.000 1.050 335 S CB 1.218 64.443 63.200 0.041 0.000 0.918 335 S HN 1.081 nan 8.310 nan 0.000 0.497 336 G N 1.759 110.596 108.800 0.062 0.000 2.195 336 G HA2 -0.191 3.770 3.960 0.002 0.000 0.224 336 G HA3 -0.191 3.770 3.960 0.002 0.000 0.224 336 G C -0.126 174.844 174.900 0.117 0.000 0.990 336 G CA -0.107 45.067 45.100 0.123 0.000 0.639 336 G HN 0.775 nan 8.290 nan 0.000 0.514 337 I N 1.411 121.994 120.570 0.022 0.000 2.406 337 I HA 0.382 4.553 4.170 0.002 0.000 0.290 337 I C 1.044 177.148 176.117 -0.022 0.000 0.999 337 I CA -1.213 60.078 61.300 -0.014 0.000 1.124 337 I CB 1.603 39.509 38.000 -0.156 0.000 1.289 337 I HN 0.106 nan 8.210 nan 0.000 0.441 338 C N 4.109 123.406 119.300 -0.006 0.000 2.745 338 C HA 0.075 4.536 4.460 0.002 0.000 0.387 338 C C 0.965 175.943 174.990 -0.020 0.000 1.312 338 C CA -0.422 58.594 59.018 -0.004 0.000 2.204 338 C CB -0.118 27.626 27.740 0.006 0.000 2.686 338 C HN 0.707 nan 8.230 nan 0.000 0.705 339 K N 0.706 121.105 120.400 -0.001 0.000 2.270 339 K HA 0.430 4.752 4.320 0.002 0.000 0.276 339 K C -0.573 176.036 176.600 0.016 0.000 1.023 339 K CA -0.203 56.084 56.287 0.000 0.000 0.955 339 K CB 0.650 33.160 32.500 0.017 0.000 0.975 339 K HN 0.540 nan 8.250 nan 0.000 0.471 340 V N 4.531 124.452 119.914 0.012 0.000 2.630 340 V HA 0.148 4.269 4.120 0.002 0.000 0.305 340 V C -0.639 175.531 176.094 0.127 0.000 1.046 340 V CA -0.676 61.661 62.300 0.062 0.000 0.934 340 V CB 1.433 33.270 31.823 0.023 0.000 1.003 340 V HN 0.847 nan 8.190 nan 0.000 0.451 341 H N 8.641 127.773 119.070 0.104 0.000 2.911 341 H HA 0.348 4.905 4.556 0.002 0.000 0.273 341 H C -1.825 173.628 175.328 0.208 0.000 1.157 341 H CA -1.825 54.299 56.048 0.127 0.000 1.402 341 H CB 1.730 31.568 29.762 0.125 0.000 1.463 341 H HN 0.533 nan 8.280 nan 0.000 0.475 342 P HA -0.157 nan 4.420 nan 0.000 0.216 342 P C 1.056 178.638 177.300 0.471 0.000 1.150 342 P CA 1.530 64.795 63.100 0.275 0.000 0.837 342 P CB 0.287 32.004 31.700 0.029 0.000 0.786 343 A N -0.936 122.132 122.820 0.413 0.000 1.975 343 A HA -0.003 4.319 4.320 0.002 0.000 0.215 343 A C 2.113 180.021 177.584 0.540 0.000 1.170 343 A CA 0.802 53.082 52.037 0.406 0.000 0.656 343 A CB -1.169 17.972 19.000 0.235 0.000 0.821 343 A HN 0.144 nan 8.150 nan 0.000 0.449 344 L N -0.951 120.600 121.223 0.547 0.000 2.477 344 L HA 0.197 4.538 4.340 0.002 0.000 0.220 344 L C 0.643 177.796 176.870 0.472 0.000 1.106 344 L CA 0.989 55.977 54.840 0.246 0.000 0.851 344 L CB -0.614 41.257 42.059 -0.314 0.000 0.994 344 L HN 0.561 nan 8.230 nan 0.000 0.462 345 N N -0.414 118.651 118.700 0.608 0.000 2.754 345 N HA -0.170 4.572 4.740 0.002 0.000 0.248 345 N C -0.694 175.092 175.510 0.460 0.000 1.093 345 N CA 0.959 54.350 53.050 0.569 0.000 0.699 345 N CB -1.286 37.646 38.487 0.741 0.000 1.016 345 N HN 0.227 nan 8.380 nan 0.000 0.552 346 V N -3.501 116.609 119.914 0.326 0.000 3.160 346 V HA 0.855 4.976 4.120 0.002 0.000 0.310 346 V C 0.684 176.876 176.094 0.163 0.000 1.181 346 V CA -0.427 62.007 62.300 0.224 0.000 1.047 346 V CB 1.502 33.419 31.823 0.157 0.000 1.068 346 V HN 0.425 nan 8.190 nan 0.000 0.441 347 S N -0.067 115.689 115.700 0.093 0.000 2.585 347 S HA 0.203 4.674 4.470 0.002 0.000 0.273 347 S C 1.265 175.925 174.600 0.100 0.000 1.339 347 S CA 0.348 58.591 58.200 0.072 0.000 1.028 347 S CB 0.918 64.135 63.200 0.027 0.000 0.906 347 S HN 1.548 nan 8.310 nan 0.000 0.528 348 T N -0.391 114.226 114.554 0.106 0.000 2.881 348 T HA -0.156 4.196 4.350 0.002 0.000 0.270 348 T C 1.758 176.503 174.700 0.075 0.000 1.068 348 T CA 1.039 63.213 62.100 0.123 0.000 1.131 348 T CB -0.455 68.472 68.868 0.099 0.000 0.871 348 T HN 0.732 nan 8.240 nan 0.000 0.479 349 R N 1.239 121.768 120.500 0.047 0.000 2.080 349 R HA -0.141 4.201 4.340 0.002 0.000 0.236 349 R C 2.309 178.619 176.300 0.016 0.000 1.137 349 R CA 2.082 58.198 56.100 0.026 0.000 0.943 349 R CB -0.998 29.312 30.300 0.017 0.000 0.846 349 R HN 0.380 nan 8.270 nan 0.000 0.431 350 T N 0.484 115.049 114.554 0.017 0.000 2.821 350 T HA -0.137 4.214 4.350 0.002 0.000 0.267 350 T C 1.876 176.570 174.700 -0.010 0.000 1.046 350 T CA 1.656 63.757 62.100 0.001 0.000 1.139 350 T CB -0.239 68.635 68.868 0.010 0.000 0.871 350 T HN 0.572 nan 8.240 nan 0.000 0.454 351 S N 1.472 117.183 115.700 0.018 0.000 2.399 351 S HA -0.093 4.378 4.470 0.002 0.000 0.231 351 S C 1.859 176.457 174.600 -0.002 0.000 1.022 351 S CA 1.051 59.253 58.200 0.002 0.000 0.983 351 S CB -0.345 62.903 63.200 0.080 0.000 0.803 351 S HN 0.562 nan 8.310 nan 0.000 0.480 352 E N 0.958 121.166 120.200 0.014 0.000 2.072 352 E HA -0.044 4.308 4.350 0.002 0.000 0.190 352 E C 2.265 178.827 176.600 -0.063 0.000 0.982 352 E CA 0.824 57.220 56.400 -0.008 0.000 0.803 352 E CB -0.122 29.585 29.700 0.013 0.000 0.755 352 E HN 0.436 nan 8.360 nan 0.000 0.453 353 R N 1.266 121.729 120.500 -0.061 0.000 2.127 353 R HA -0.154 4.187 4.340 0.002 0.000 0.238 353 R C 2.006 178.208 176.300 -0.164 0.000 1.134 353 R CA 1.053 57.102 56.100 -0.085 0.000 0.975 353 R CB -0.639 29.628 30.300 -0.054 0.000 0.865 353 R HN 0.213 nan 8.270 nan 0.000 0.447 354 L N 0.304 121.406 121.223 -0.202 0.000 2.156 354 L HA 0.009 4.350 4.340 0.002 0.000 0.208 354 L C 2.458 178.960 176.870 -0.613 0.000 1.095 354 L CA 1.789 56.395 54.840 -0.390 0.000 0.770 354 L CB -0.752 41.112 42.059 -0.324 0.000 0.914 354 L HN 0.125 nan 8.230 nan 0.000 0.439 355 R N -0.273 120.012 120.500 -0.358 0.000 2.091 355 R HA -0.153 4.188 4.340 0.002 0.000 0.238 355 R C 1.961 178.112 176.300 -0.247 0.000 1.136 355 R CA 1.893 57.835 56.100 -0.264 0.000 0.959 355 R CB -1.219 29.026 30.300 -0.092 0.000 0.856 355 R HN 0.656 nan 8.270 nan 0.000 0.437 356 D N 0.395 120.665 120.400 -0.216 0.000 2.097 356 D HA -0.065 4.577 4.640 0.002 0.000 0.195 356 D C 2.117 178.248 176.300 -0.282 0.000 0.989 356 D CA 1.627 55.519 54.000 -0.181 0.000 0.827 356 D CB -0.442 40.285 40.800 -0.122 0.000 0.966 356 D HN 0.317 nan 8.370 nan 0.000 0.456 357 L N 0.270 121.250 121.223 -0.406 0.000 2.043 357 L HA -0.233 4.109 4.340 0.002 0.000 0.212 357 L C 2.436 178.632 176.870 -1.123 0.000 1.075 357 L CA 1.411 55.857 54.840 -0.658 0.000 0.752 357 L CB -0.461 41.223 42.059 -0.624 0.000 0.891 357 L HN 0.241 nan 8.230 nan 0.000 0.432 358 H N -2.084 116.423 119.070 -0.938 0.000 2.293 358 H HA -0.221 4.336 4.556 0.002 0.000 0.300 358 H C 2.432 177.540 175.328 -0.367 0.000 1.082 358 H CA 1.222 56.822 56.048 -0.746 0.000 1.308 358 H CB 0.035 29.551 29.762 -0.410 0.000 1.375 358 H HN 0.196 nan 8.280 nan 0.000 0.495 359 Q N 0.827 120.557 119.800 -0.117 0.000 2.135 359 Q HA -0.188 4.153 4.340 0.002 0.000 0.204 359 Q C 2.705 178.686 176.000 -0.033 0.000 0.981 359 Q CA 1.654 57.429 55.803 -0.047 0.000 0.856 359 Q CB -0.476 28.236 28.738 -0.044 0.000 0.902 359 Q HN 0.671 nan 8.270 nan 0.000 0.425 360 S N -0.976 114.667 115.700 -0.095 0.000 2.382 360 S HA -0.142 4.330 4.470 0.002 0.000 0.228 360 S C 1.650 176.339 174.600 0.149 0.000 1.027 360 S CA 1.320 59.519 58.200 -0.002 0.000 0.991 360 S CB -0.656 62.530 63.200 -0.024 0.000 0.823 360 S HN 0.796 nan 8.310 nan 0.000 0.469 361 W N 2.174 123.497 121.300 0.039 0.000 2.465 361 W HA 0.283 4.944 4.660 0.001 0.000 0.268 361 W C 1.851 178.376 176.519 0.010 0.000 1.242 361 W CA 0.383 57.741 57.345 0.022 0.000 1.248 361 W CB -1.162 28.308 29.460 0.017 0.000 1.118 361 W HN 0.523 nan 8.180 nan 0.000 0.587 362 K N 1.589 122.109 120.400 0.200 0.000 2.737 362 K HA 0.375 4.696 4.320 0.002 0.000 0.251 362 K C 0.334 176.987 176.600 0.088 0.000 1.280 362 K CA 0.715 57.073 56.287 0.118 0.000 1.219 362 K CB -1.246 31.299 32.500 0.075 0.000 1.587 362 K HN 0.222 nan 8.250 nan 0.000 0.279 363 T N 0.000 114.611 114.554 0.095 0.000 3.816 363 T HA 0.000 4.351 4.350 0.002 0.000 0.228 363 T CA 0.000 62.140 62.100 0.067 0.000 1.349 363 T CB 0.000 68.910 68.868 0.070 0.000 0.612 363 T HN 0.000 nan 8.240 nan 0.000 0.658