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 1s80_1_B DATA FIRST_RESID 0 DATA SEQUENCE SLTLDVWQHI RQEAKELAEN EPXLASFFHS TILKHQNLGG ALSYLLANKL DATA SEQUENCE ANPIXPAISL REIIEEAYQS NPSIIDCAAC DIQAVRHRDP AVELWSTPLL DATA SEQUENCE YLKGFHAIQS YRITHYLWNQ NRKSLALYLQ NQISVAFDVD IHPAAKIGHG DATA SEQUENCE IXFDHATGIV VGETSVIEND VSILQGVTLG GTGKESGDRH PKVREGVXIG DATA SEQUENCE AGAKILGNIE VGKYAKIGAN SVVLNPVPEY ATAAGVPARI V 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.578 174.600 -0.036 0.000 1.055 0 S CA 0.000 58.179 58.200 -0.035 0.000 1.107 0 S CB 0.000 63.184 63.200 -0.027 0.000 0.593 1 L N 2.371 123.578 121.223 -0.026 0.000 1.990 1 L HA -0.128 4.213 4.340 0.002 0.000 0.213 1 L C 2.091 178.950 176.870 -0.019 0.000 1.072 1 L CA 2.748 57.579 54.840 -0.014 0.000 0.755 1 L CB -1.291 40.766 42.059 -0.004 0.000 0.889 1 L HN 0.491 nan 8.230 nan 0.000 0.432 2 T N 0.248 114.787 114.554 -0.025 0.000 2.821 2 T HA -0.177 4.174 4.350 0.002 0.000 0.267 2 T C 1.750 176.457 174.700 0.011 0.000 1.046 2 T CA 1.364 63.453 62.100 -0.019 0.000 1.139 2 T CB -0.206 68.627 68.868 -0.058 0.000 0.871 2 T HN 0.231 nan 8.240 nan 0.000 0.454 3 L N 1.415 122.636 121.223 -0.004 0.000 2.056 3 L HA -0.014 4.328 4.340 0.002 0.000 0.207 3 L C 1.764 178.616 176.870 -0.030 0.000 1.078 3 L CA 1.795 56.651 54.840 0.027 0.000 0.749 3 L CB -0.667 41.388 42.059 -0.006 0.000 0.901 3 L HN 0.022 nan 8.230 nan 0.000 0.433 4 D N -0.577 119.758 120.400 -0.108 0.000 2.092 4 D HA -0.183 4.458 4.640 0.002 0.000 0.193 4 D C 2.341 178.438 176.300 -0.339 0.000 0.994 4 D CA 1.876 55.726 54.000 -0.251 0.000 0.828 4 D CB -0.528 40.157 40.800 -0.192 0.000 0.963 4 D HN 0.236 nan 8.370 nan 0.000 0.450 5 V N 0.804 120.585 119.914 -0.222 0.000 2.282 5 V HA -0.247 3.875 4.120 0.002 0.000 0.249 5 V C 2.197 178.247 176.094 -0.073 0.000 1.057 5 V CA 1.761 63.917 62.300 -0.239 0.000 1.032 5 V CB -0.714 31.111 31.823 0.004 0.000 0.645 5 V HN 0.434 nan 8.190 nan 0.000 0.447 6 W N 0.589 121.789 121.300 -0.167 0.000 2.338 6 W HA -0.258 4.406 4.660 0.006 0.000 0.304 6 W C 2.419 178.843 176.519 -0.159 0.000 1.212 6 W CA 1.987 59.257 57.345 -0.125 0.000 1.264 6 W CB -0.086 29.313 29.460 -0.101 0.000 1.142 6 W HN 0.334 nan 8.180 nan 0.000 0.512 7 Q N -1.097 118.495 119.800 -0.345 0.000 2.119 7 Q HA -0.226 4.115 4.340 0.002 0.000 0.201 7 Q C 2.100 177.806 176.000 -0.490 0.000 0.972 7 Q CA 1.331 56.840 55.803 -0.490 0.000 0.847 7 Q CB -0.529 27.980 28.738 -0.382 0.000 0.903 7 Q HN 0.362 nan 8.270 nan 0.000 0.433 8 H N 0.387 119.185 119.070 -0.455 0.000 2.352 8 H HA -0.112 4.444 4.556 0.001 0.000 0.299 8 H C 2.122 177.256 175.328 -0.323 0.000 1.097 8 H CA 1.258 57.017 56.048 -0.482 0.000 1.311 8 H CB -0.120 29.019 29.762 -1.039 0.000 1.377 8 H HN 0.252 nan 8.280 nan 0.000 0.504 9 I N 0.494 120.950 120.570 -0.189 0.000 2.252 9 I HA -0.248 3.924 4.170 0.002 0.000 0.245 9 I C 2.718 178.640 176.117 -0.326 0.000 1.102 9 I CA 1.006 62.213 61.300 -0.155 0.000 1.385 9 I CB -0.137 37.823 38.000 -0.066 0.000 1.064 9 I HN 0.129 nan 8.210 nan 0.000 0.414 10 R N 0.168 120.316 120.500 -0.586 0.000 2.073 10 R HA -0.234 4.107 4.340 0.002 0.000 0.234 10 R C 2.309 178.398 176.300 -0.353 0.000 1.134 10 R CA 1.543 57.301 56.100 -0.571 0.000 0.952 10 R CB -0.477 29.392 30.300 -0.719 0.000 0.850 10 R HN 0.465 nan 8.270 nan 0.000 0.433 11 Q N 1.050 120.675 119.800 -0.292 0.000 2.061 11 Q HA -0.222 4.119 4.340 0.002 0.000 0.204 11 Q C 1.725 177.632 176.000 -0.155 0.000 0.984 11 Q CA 1.732 57.419 55.803 -0.193 0.000 0.846 11 Q CB 0.098 28.748 28.738 -0.147 0.000 0.902 11 Q HN 0.421 nan 8.270 nan 0.000 0.421 12 E N -0.099 120.023 120.200 -0.130 0.000 2.051 12 E HA -0.193 4.158 4.350 0.002 0.000 0.192 12 E C 1.930 178.396 176.600 -0.223 0.000 0.991 12 E CA 0.936 57.266 56.400 -0.116 0.000 0.799 12 E CB -0.181 29.495 29.700 -0.039 0.000 0.748 12 E HN 0.467 nan 8.360 nan 0.000 0.449 13 A N 1.576 124.237 122.820 -0.265 0.000 1.986 13 A HA -0.265 4.056 4.320 0.002 0.000 0.220 13 A C 1.931 179.292 177.584 -0.371 0.000 1.171 13 A CA 1.574 53.391 52.037 -0.367 0.000 0.640 13 A CB -0.327 18.515 19.000 -0.264 0.000 0.811 13 A HN 0.068 nan 8.150 nan 0.000 0.451 14 K N -0.691 119.545 120.400 -0.273 0.000 2.025 14 K HA -0.112 4.209 4.320 0.002 0.000 0.207 14 K C 2.061 178.568 176.600 -0.156 0.000 1.049 14 K CA 1.291 57.460 56.287 -0.197 0.000 0.933 14 K CB -0.170 32.238 32.500 -0.153 0.000 0.714 14 K HN 0.477 nan 8.250 nan 0.000 0.438 15 E N 0.980 121.084 120.200 -0.160 0.000 2.051 15 E HA -0.171 4.181 4.350 0.002 0.000 0.192 15 E C 2.150 178.653 176.600 -0.161 0.000 0.991 15 E CA 1.065 57.391 56.400 -0.124 0.000 0.799 15 E CB -0.096 29.545 29.700 -0.100 0.000 0.748 15 E HN 0.266 nan 8.360 nan 0.000 0.449 16 L N 0.311 121.349 121.223 -0.307 0.000 2.093 16 L HA -0.144 4.197 4.340 0.002 0.000 0.208 16 L C 2.591 179.242 176.870 -0.365 0.000 1.085 16 L CA 1.007 55.587 54.840 -0.433 0.000 0.755 16 L CB -0.460 41.071 42.059 -0.880 0.000 0.904 16 L HN 0.066 nan 8.230 nan 0.000 0.435 17 A N -0.144 122.468 122.820 -0.347 0.000 1.933 17 A HA -0.226 4.095 4.320 0.002 0.000 0.218 17 A C 2.157 179.809 177.584 0.113 0.000 1.175 17 A CA 1.655 53.752 52.037 0.099 0.000 0.628 17 A CB -0.395 18.738 19.000 0.222 0.000 0.814 17 A HN 0.366 nan 8.150 nan 0.000 0.444 18 E N 0.057 120.277 120.200 0.034 0.000 2.085 18 E HA -0.145 4.206 4.350 0.002 0.000 0.194 18 E C 1.864 178.492 176.600 0.046 0.000 0.994 18 E CA 1.464 57.888 56.400 0.040 0.000 0.801 18 E CB -0.131 29.574 29.700 0.009 0.000 0.743 18 E HN 0.677 nan 8.360 nan 0.000 0.453 19 N N -0.210 118.510 118.700 0.035 0.000 2.376 19 N HA -0.085 4.657 4.740 0.002 0.000 0.177 19 N C 0.041 175.603 175.510 0.087 0.000 1.024 19 N CA 0.430 53.508 53.050 0.046 0.000 0.893 19 N CB 0.425 38.927 38.487 0.025 0.000 0.980 19 N HN -0.047 nan 8.380 nan 0.000 0.439 20 E N 1.063 121.349 120.200 0.143 0.000 2.580 20 E HA 0.261 4.612 4.350 0.002 0.000 0.248 20 E C -2.514 174.217 176.600 0.219 0.000 1.018 20 E CA -2.429 54.086 56.400 0.191 0.000 0.775 20 E CB 1.155 31.019 29.700 0.272 0.000 1.378 20 E HN 0.031 nan 8.360 nan 0.000 0.401 24 A N -0.492 122.520 122.820 0.319 0.000 1.883 24 A HA -0.157 4.165 4.320 0.002 0.000 0.217 24 A C 2.262 180.057 177.584 0.352 0.000 1.186 24 A CA 2.517 54.800 52.037 0.410 0.000 0.624 24 A CB -0.347 18.806 19.000 0.255 0.000 0.822 24 A HN 0.336 nan 8.150 nan 0.000 0.444 25 S N -1.273 114.550 115.700 0.206 0.000 2.383 25 S HA -0.096 4.376 4.470 0.002 0.000 0.227 25 S C 1.617 176.328 174.600 0.184 0.000 1.026 25 S CA 1.272 59.568 58.200 0.160 0.000 0.981 25 S CB -0.508 62.754 63.200 0.104 0.000 0.818 25 S HN 0.638 nan 8.310 nan 0.000 0.472 26 F N 2.053 121.993 119.950 -0.017 0.000 2.065 26 F HA -0.177 4.350 4.527 0.000 0.000 0.298 26 F C 1.643 177.373 175.800 -0.117 0.000 1.112 26 F CA 1.437 59.371 58.000 -0.109 0.000 1.212 26 F CB -0.756 38.094 39.000 -0.251 0.000 0.975 26 F HN 0.195 nan 8.300 nan 0.000 0.476 27 F N -0.245 119.663 119.950 -0.070 0.000 2.134 27 F HA -0.238 4.292 4.527 0.005 0.000 0.299 27 F C 2.792 178.459 175.800 -0.222 0.000 1.097 27 F CA 1.756 59.617 58.000 -0.230 0.000 1.264 27 F CB -0.871 38.089 39.000 -0.067 0.000 1.001 27 F HN 0.112 nan 8.300 nan 0.000 0.479 28 H N -0.560 118.530 119.070 0.033 0.000 2.357 28 H HA -0.098 4.459 4.556 0.001 0.000 0.301 28 H C 2.435 177.655 175.328 -0.180 0.000 1.082 28 H CA 1.764 57.782 56.048 -0.050 0.000 1.342 28 H CB -0.192 29.562 29.762 -0.013 0.000 1.389 28 H HN 0.280 nan 8.280 nan 0.000 0.511 29 S N -0.866 114.780 115.700 -0.090 0.000 2.470 29 S HA -0.061 4.411 4.470 0.002 0.000 0.225 29 S C 2.085 176.313 174.600 -0.619 0.000 1.006 29 S CA 1.042 59.085 58.200 -0.261 0.000 0.934 29 S CB -0.001 63.168 63.200 -0.051 0.000 0.778 29 S HN 0.196 nan 8.310 nan 0.000 0.517 30 T N 0.661 114.930 114.554 -0.474 0.000 3.010 30 T HA 0.403 4.754 4.350 0.002 0.000 0.252 30 T C 1.359 175.992 174.700 -0.111 0.000 1.047 30 T CA 0.573 62.411 62.100 -0.436 0.000 1.140 30 T CB -0.166 68.441 68.868 -0.435 0.000 0.885 30 T HN 0.406 nan 8.240 nan 0.000 0.464 31 I N -0.641 119.856 120.570 -0.121 0.000 3.518 31 I HA 0.234 4.405 4.170 0.002 0.000 0.260 31 I C 1.842 177.960 176.117 0.001 0.000 1.148 31 I CA 0.180 61.523 61.300 0.072 0.000 1.440 31 I CB 0.139 38.120 38.000 -0.031 0.000 1.485 31 I HN 0.070 nan 8.210 nan 0.000 0.456 32 L N 1.358 122.473 121.223 -0.181 0.000 2.056 32 L HA -0.175 4.166 4.340 0.002 0.000 0.207 32 L C 2.220 179.020 176.870 -0.116 0.000 1.078 32 L CA 1.524 56.237 54.840 -0.213 0.000 0.749 32 L CB -0.549 41.252 42.059 -0.430 0.000 0.901 32 L HN 0.285 nan 8.230 nan 0.000 0.433 33 K N -0.914 119.373 120.400 -0.189 0.000 2.525 33 K HA -0.003 4.318 4.320 0.002 0.000 0.192 33 K C 0.173 176.676 176.600 -0.162 0.000 1.029 33 K CA 0.391 56.578 56.287 -0.167 0.000 1.029 33 K CB -0.239 32.157 32.500 -0.173 0.000 0.814 33 K HN 0.328 nan 8.250 nan 0.000 0.503 34 H N 0.022 119.140 119.070 0.080 0.000 2.508 34 H HA 0.244 4.801 4.556 0.002 0.000 0.344 34 H C 0.247 175.707 175.328 0.220 0.000 1.192 34 H CA -0.844 55.264 56.048 0.101 0.000 1.290 34 H CB 1.604 31.401 29.762 0.058 0.000 1.571 34 H HN 0.053 nan 8.280 nan 0.000 0.555 35 Q N 0.309 120.254 119.800 0.241 0.000 2.317 35 Q HA 0.107 4.448 4.340 0.002 0.000 0.220 35 Q C -0.474 175.523 176.000 -0.005 0.000 0.873 35 Q CA 0.018 55.931 55.803 0.182 0.000 0.936 35 Q CB 0.543 29.330 28.738 0.082 0.000 1.105 35 Q HN 0.610 nan 8.270 nan 0.000 0.520 36 N N -1.774 116.631 118.700 -0.491 0.000 2.927 36 N HA 0.059 4.800 4.740 0.002 0.000 0.248 36 N C -0.230 174.288 175.510 -1.654 0.000 1.443 36 N CA -0.654 51.666 53.050 -1.216 0.000 0.870 36 N CB 0.303 38.444 38.487 -0.577 0.000 1.444 36 N HN -0.116 nan 8.380 nan 0.000 0.519 37 L N 0.334 120.641 121.223 -1.527 0.000 2.079 37 L HA 0.180 4.521 4.340 0.002 0.000 0.210 37 L C 1.936 178.503 176.870 -0.506 0.000 1.081 37 L CA 2.566 56.866 54.840 -0.900 0.000 0.752 37 L CB -1.037 40.809 42.059 -0.355 0.000 0.896 37 L HN 0.909 nan 8.230 nan 0.000 0.433 38 G N -1.327 107.203 108.800 -0.450 0.000 2.432 38 G HA2 -0.190 3.771 3.960 0.002 0.000 0.219 38 G HA3 -0.190 3.771 3.960 0.002 0.000 0.219 38 G C 1.529 176.370 174.900 -0.099 0.000 1.135 38 G CA 0.540 45.475 45.100 -0.275 0.000 0.767 38 G HN 0.589 nan 8.290 nan 0.000 0.550 39 G N 1.025 109.659 108.800 -0.276 0.000 2.418 39 G HA2 0.039 4.001 3.960 0.002 0.000 0.217 39 G HA3 0.039 4.001 3.960 0.002 0.000 0.217 39 G C 1.977 176.544 174.900 -0.554 0.000 1.158 39 G CA 1.545 46.418 45.100 -0.379 0.000 0.771 39 G HN 0.625 nan 8.290 nan 0.000 0.545 40 A N 0.133 122.727 122.820 -0.377 0.000 1.898 40 A HA 0.286 4.607 4.320 0.002 0.000 0.214 40 A C 2.369 179.991 177.584 0.063 0.000 1.183 40 A CA 0.867 52.842 52.037 -0.102 0.000 0.622 40 A CB -0.385 18.704 19.000 0.149 0.000 0.824 40 A HN 0.318 nan 8.150 nan 0.000 0.444 41 L N 0.611 121.874 121.223 0.066 0.000 2.046 41 L HA -0.187 4.155 4.340 0.002 0.000 0.208 41 L C 3.002 179.978 176.870 0.176 0.000 1.077 41 L CA 1.882 56.819 54.840 0.163 0.000 0.747 41 L CB -0.284 41.867 42.059 0.152 0.000 0.896 41 L HN 0.636 nan 8.230 nan 0.000 0.432 42 S N -1.563 114.241 115.700 0.173 0.000 2.402 42 S HA -0.269 4.202 4.470 0.002 0.000 0.229 42 S C 1.916 176.550 174.600 0.058 0.000 1.021 42 S CA 0.889 59.127 58.200 0.064 0.000 0.974 42 S CB -0.780 62.406 63.200 -0.024 0.000 0.800 42 S HN 0.517 nan 8.310 nan 0.000 0.484 43 Y N 2.006 122.278 120.300 -0.046 0.000 2.133 43 Y HA 0.045 4.597 4.550 0.003 0.000 0.287 43 Y C 2.100 178.026 175.900 0.044 0.000 1.134 43 Y CA 1.459 59.561 58.100 0.003 0.000 1.133 43 Y CB -0.392 38.088 38.460 0.033 0.000 0.987 43 Y HN 0.184 nan 8.280 nan 0.000 0.502 44 L N -0.431 120.957 121.223 0.276 0.000 2.017 44 L HA -0.265 4.077 4.340 0.002 0.000 0.208 44 L C 2.436 179.322 176.870 0.028 0.000 1.073 44 L CA 1.415 56.353 54.840 0.162 0.000 0.745 44 L CB -0.643 41.510 42.059 0.156 0.000 0.894 44 L HN 0.295 nan 8.230 nan 0.000 0.432 45 L N -0.853 120.390 121.223 0.033 0.000 2.017 45 L HA -0.222 4.119 4.340 0.002 0.000 0.208 45 L C 2.873 179.756 176.870 0.020 0.000 1.073 45 L CA 1.191 56.056 54.840 0.041 0.000 0.745 45 L CB -0.883 41.209 42.059 0.055 0.000 0.894 45 L HN 0.271 nan 8.230 nan 0.000 0.432 46 A N 0.437 123.243 122.820 -0.023 0.000 1.892 46 A HA -0.259 4.062 4.320 0.002 0.000 0.218 46 A C 2.088 179.629 177.584 -0.071 0.000 1.188 46 A CA 2.257 54.261 52.037 -0.056 0.000 0.631 46 A CB -0.651 18.293 19.000 -0.093 0.000 0.822 46 A HN 0.462 nan 8.150 nan 0.000 0.447 47 N N -0.273 118.363 118.700 -0.106 0.000 2.106 47 N HA -0.114 4.627 4.740 0.002 0.000 0.188 47 N C 1.636 177.129 175.510 -0.029 0.000 1.029 47 N CA 1.607 54.603 53.050 -0.090 0.000 0.848 47 N CB -0.395 38.030 38.487 -0.104 0.000 1.007 47 N HN 0.540 nan 8.380 nan 0.000 0.423 48 K N 0.377 120.782 120.400 0.009 0.000 2.209 48 K HA 0.051 4.372 4.320 0.002 0.000 0.204 48 K C 1.389 177.952 176.600 -0.061 0.000 1.048 48 K CA 0.699 57.007 56.287 0.034 0.000 0.940 48 K CB 0.060 32.671 32.500 0.185 0.000 0.729 48 K HN 0.159 nan 8.250 nan 0.000 0.451 49 L N -0.207 120.990 121.223 -0.044 0.000 2.693 49 L HA 0.265 4.606 4.340 0.002 0.000 0.235 49 L C 0.426 177.269 176.870 -0.045 0.000 1.127 49 L CA -0.672 54.116 54.840 -0.086 0.000 0.914 49 L CB 0.307 42.342 42.059 -0.041 0.000 1.193 49 L HN -0.008 nan 8.230 nan 0.000 0.502 50 A N 1.192 123.996 122.820 -0.027 0.000 2.483 50 A HA 0.273 4.595 4.320 0.002 0.000 0.238 50 A C 0.042 177.632 177.584 0.010 0.000 1.070 50 A CA 0.340 52.377 52.037 -0.001 0.000 0.770 50 A CB 0.196 19.184 19.000 -0.020 0.000 1.008 50 A HN 0.391 nan 8.150 nan 0.000 0.497 51 N N 1.086 119.815 118.700 0.049 0.000 2.598 51 N HA 0.302 5.043 4.740 0.002 0.000 0.263 51 N C -2.680 172.860 175.510 0.050 0.000 1.254 51 N CA -1.236 51.850 53.050 0.059 0.000 0.863 51 N CB 1.776 40.335 38.487 0.120 0.000 1.586 51 N HN 0.100 nan 8.380 nan 0.000 0.491 52 P HA 0.069 nan 4.420 nan 0.000 0.219 52 P C 0.642 177.943 177.300 0.002 0.000 1.146 52 P CA 0.855 63.963 63.100 0.013 0.000 0.808 52 P CB 0.280 31.985 31.700 0.009 0.000 0.779 56 A N 0.577 123.378 122.820 -0.032 0.000 1.903 56 A HA -0.217 4.104 4.320 0.002 0.000 0.219 56 A C 1.891 179.438 177.584 -0.062 0.000 1.191 56 A CA 2.246 54.247 52.037 -0.060 0.000 0.638 56 A CB -0.967 17.973 19.000 -0.100 0.000 0.823 56 A HN 0.638 nan 8.150 nan 0.000 0.451 57 I N -1.067 119.473 120.570 -0.050 0.000 2.264 57 I HA -0.217 3.955 4.170 0.002 0.000 0.248 57 I C 2.583 178.682 176.117 -0.030 0.000 1.111 57 I CA 1.908 63.187 61.300 -0.035 0.000 1.382 57 I CB -0.020 37.969 38.000 -0.018 0.000 1.060 57 I HN 0.383 nan 8.210 nan 0.000 0.418 58 S N 0.128 115.810 115.700 -0.030 0.000 2.421 58 S HA -0.023 4.449 4.470 0.002 0.000 0.224 58 S C 1.971 176.550 174.600 -0.035 0.000 1.035 58 S CA 0.434 58.615 58.200 -0.031 0.000 0.953 58 S CB -0.201 62.981 63.200 -0.031 0.000 0.810 58 S HN 0.529 nan 8.310 nan 0.000 0.497 59 L N 1.362 122.566 121.223 -0.032 0.000 2.141 59 L HA 0.012 4.354 4.340 0.002 0.000 0.209 59 L C 2.806 179.641 176.870 -0.058 0.000 1.094 59 L CA 1.076 55.898 54.840 -0.028 0.000 0.763 59 L CB -0.310 41.746 42.059 -0.005 0.000 0.908 59 L HN 0.275 nan 8.230 nan 0.000 0.437 60 R N 0.234 120.695 120.500 -0.065 0.000 2.127 60 R HA -0.204 4.138 4.340 0.002 0.000 0.238 60 R C 1.913 178.150 176.300 -0.105 0.000 1.134 60 R CA 1.703 57.753 56.100 -0.084 0.000 0.975 60 R CB -0.144 30.122 30.300 -0.057 0.000 0.865 60 R HN 0.572 nan 8.270 nan 0.000 0.447 61 E N -0.243 119.911 120.200 -0.077 0.000 2.072 61 E HA -0.156 4.195 4.350 0.002 0.000 0.190 61 E C 2.025 178.567 176.600 -0.096 0.000 0.982 61 E CA 0.990 57.345 56.400 -0.075 0.000 0.803 61 E CB -0.116 29.556 29.700 -0.047 0.000 0.755 61 E HN 0.186 nan 8.360 nan 0.000 0.453 62 I N 1.158 121.679 120.570 -0.082 0.000 2.208 62 I HA -0.288 3.884 4.170 0.002 0.000 0.245 62 I C 2.193 178.212 176.117 -0.163 0.000 1.097 62 I CA 1.301 62.557 61.300 -0.074 0.000 1.363 62 I CB -0.161 37.821 38.000 -0.030 0.000 1.051 62 I HN 0.107 nan 8.210 nan 0.000 0.413 63 I N -0.232 120.192 120.570 -0.243 0.000 2.315 63 I HA -0.261 3.910 4.170 0.002 0.000 0.248 63 I C 2.367 178.046 176.117 -0.730 0.000 1.117 63 I CA 1.339 62.349 61.300 -0.483 0.000 1.404 63 I CB -0.398 37.325 38.000 -0.463 0.000 1.071 63 I HN 0.268 nan 8.210 nan 0.000 0.419 64 E N 0.263 120.192 120.200 -0.451 0.000 2.107 64 E HA -0.220 4.131 4.350 0.002 0.000 0.191 64 E C 2.115 178.584 176.600 -0.219 0.000 0.982 64 E CA 0.658 56.867 56.400 -0.318 0.000 0.809 64 E CB 0.024 29.631 29.700 -0.155 0.000 0.756 64 E HN 0.306 nan 8.360 nan 0.000 0.459 65 E N 0.869 120.952 120.200 -0.194 0.000 2.077 65 E HA -0.167 4.184 4.350 0.002 0.000 0.193 65 E C 1.971 178.416 176.600 -0.259 0.000 0.989 65 E CA 1.076 57.393 56.400 -0.139 0.000 0.800 65 E CB -0.047 29.616 29.700 -0.060 0.000 0.746 65 E HN 0.199 nan 8.360 nan 0.000 0.452 66 A N 0.340 122.883 122.820 -0.462 0.000 1.908 66 A HA -0.190 4.132 4.320 0.002 0.000 0.218 66 A C 2.219 179.545 177.584 -0.431 0.000 1.181 66 A CA 1.477 52.967 52.037 -0.913 0.000 0.627 66 A CB -1.127 17.372 19.000 -0.836 0.000 0.818 66 A HN 0.461 nan 8.150 nan 0.000 0.445 67 Y N -0.940 119.175 120.300 -0.308 0.000 2.293 67 Y HA -0.223 4.328 4.550 0.002 0.000 0.291 67 Y C 2.838 178.637 175.900 -0.169 0.000 1.137 67 Y CA 1.064 59.039 58.100 -0.208 0.000 1.202 67 Y CB -0.099 38.266 38.460 -0.160 0.000 0.990 67 Y HN 0.456 nan 8.280 nan 0.000 0.537 68 Q N 0.348 120.145 119.800 -0.005 0.000 2.049 68 Q HA -0.172 4.169 4.340 0.002 0.000 0.198 68 Q C 2.312 178.294 176.000 -0.031 0.000 0.971 68 Q CA 1.875 57.665 55.803 -0.021 0.000 0.833 68 Q CB -0.038 28.682 28.738 -0.030 0.000 0.896 68 Q HN 0.400 nan 8.270 nan 0.000 0.434 69 S N -0.531 115.131 115.700 -0.064 0.000 2.558 69 S HA 0.014 4.486 4.470 0.002 0.000 0.217 69 S C 0.346 174.952 174.600 0.009 0.000 0.975 69 S CA 0.157 58.353 58.200 -0.006 0.000 0.912 69 S CB 0.297 63.537 63.200 0.067 0.000 0.776 69 S HN 0.257 nan 8.310 nan 0.000 0.526 70 N N 1.036 119.707 118.700 -0.048 0.000 2.710 70 N HA 0.411 5.152 4.740 0.002 0.000 0.244 70 N C -2.827 172.671 175.510 -0.020 0.000 1.321 70 N CA -1.827 51.222 53.050 -0.002 0.000 0.758 70 N CB 1.475 39.989 38.487 0.046 0.000 1.284 70 N HN -0.110 nan 8.380 nan 0.000 0.530 71 P HA -0.094 nan 4.420 nan 0.000 0.221 71 P C 1.059 178.303 177.300 -0.093 0.000 1.145 71 P CA 1.058 64.120 63.100 -0.064 0.000 0.795 71 P CB 0.222 31.888 31.700 -0.056 0.000 0.775 72 S N -1.337 114.330 115.700 -0.055 0.000 2.481 72 S HA -0.081 4.390 4.470 0.002 0.000 0.231 72 S C 1.867 176.427 174.600 -0.067 0.000 0.996 72 S CA 0.532 58.696 58.200 -0.060 0.000 0.942 72 S CB -1.499 61.689 63.200 -0.020 0.000 0.768 72 S HN 0.081 nan 8.310 nan 0.000 0.520 73 I N 1.696 122.231 120.570 -0.057 0.000 2.151 73 I HA -0.224 3.948 4.170 0.002 0.000 0.243 73 I C 2.320 178.331 176.117 -0.176 0.000 1.080 73 I CA 1.627 62.890 61.300 -0.061 0.000 1.339 73 I CB -0.442 37.564 38.000 0.011 0.000 1.039 73 I HN 0.307 nan 8.210 nan 0.000 0.409 74 I N 0.342 120.706 120.570 -0.344 0.000 2.286 74 I HA -0.293 3.879 4.170 0.002 0.000 0.248 74 I C 1.987 177.982 176.117 -0.203 0.000 1.115 74 I CA 1.253 62.304 61.300 -0.414 0.000 1.392 74 I CB -0.550 37.129 38.000 -0.535 0.000 1.065 74 I HN 0.264 nan 8.210 nan 0.000 0.418 75 D N 0.610 120.915 120.400 -0.159 0.000 2.144 75 D HA -0.144 4.497 4.640 0.002 0.000 0.199 75 D C 2.307 178.554 176.300 -0.088 0.000 0.984 75 D CA 1.256 55.186 54.000 -0.117 0.000 0.834 75 D CB -0.326 40.395 40.800 -0.131 0.000 0.955 75 D HN 0.407 nan 8.370 nan 0.000 0.465 76 C N 1.542 120.804 119.300 -0.064 0.000 2.413 76 C HA -0.095 4.366 4.460 0.002 0.000 0.276 76 C C 3.007 178.043 174.990 0.076 0.000 1.236 76 C CA 0.748 59.780 59.018 0.024 0.000 1.735 76 C CB -1.085 26.697 27.740 0.069 0.000 2.031 76 C HN 0.372 nan 8.230 nan 0.000 0.474 77 A N 0.728 123.580 122.820 0.054 0.000 1.948 77 A HA -0.084 4.237 4.320 0.002 0.000 0.220 77 A C 2.352 180.087 177.584 0.252 0.000 1.177 77 A CA 2.490 54.636 52.037 0.181 0.000 0.636 77 A CB -0.908 18.155 19.000 0.104 0.000 0.815 77 A HN 0.639 nan 8.150 nan 0.000 0.449 78 A N -1.063 121.830 122.820 0.121 0.000 1.898 78 A HA -0.121 4.201 4.320 0.002 0.000 0.216 78 A C 2.327 179.999 177.584 0.147 0.000 1.181 78 A CA 1.586 53.697 52.037 0.124 0.000 0.620 78 A CB -1.270 17.764 19.000 0.055 0.000 0.819 78 A HN 0.641 nan 8.150 nan 0.000 0.442 79 C N -0.163 119.203 119.300 0.111 0.000 2.413 79 C HA -0.113 4.349 4.460 0.002 0.000 0.276 79 C C 2.346 177.432 174.990 0.160 0.000 1.236 79 C CA 1.035 60.132 59.018 0.131 0.000 1.735 79 C CB -1.273 26.548 27.740 0.134 0.000 2.031 79 C HN 0.597 nan 8.230 nan 0.000 0.474 80 D N 0.871 121.390 120.400 0.198 0.000 2.123 80 D HA -0.093 4.548 4.640 0.002 0.000 0.196 80 D C 1.896 178.294 176.300 0.164 0.000 0.992 80 D CA 1.137 55.279 54.000 0.236 0.000 0.833 80 D CB -0.421 40.591 40.800 0.353 0.000 0.954 80 D HN 0.482 nan 8.370 nan 0.000 0.455 81 I N 0.492 121.123 120.570 0.101 0.000 2.179 81 I HA -0.271 3.900 4.170 0.002 0.000 0.242 81 I C 2.589 178.691 176.117 -0.025 0.000 1.088 81 I CA 1.046 62.277 61.300 -0.115 0.000 1.357 81 I CB -0.174 37.803 38.000 -0.038 0.000 1.051 81 I HN 0.006 nan 8.210 nan 0.000 0.409 82 Q N 0.887 120.760 119.800 0.122 0.000 2.079 82 Q HA -0.205 4.136 4.340 0.002 0.000 0.200 82 Q C 2.317 178.310 176.000 -0.011 0.000 0.974 82 Q CA 1.689 57.539 55.803 0.079 0.000 0.840 82 Q CB -0.072 28.824 28.738 0.264 0.000 0.898 82 Q HN 0.535 nan 8.270 nan 0.000 0.430 83 A N -0.022 122.827 122.820 0.047 0.000 1.883 83 A HA -0.160 4.161 4.320 0.002 0.000 0.217 83 A C 2.178 179.787 177.584 0.041 0.000 1.186 83 A CA 1.729 53.806 52.037 0.067 0.000 0.624 83 A CB -0.775 18.277 19.000 0.087 0.000 0.822 83 A HN 0.311 nan 8.150 nan 0.000 0.444 84 V N -0.128 119.778 119.914 -0.013 0.000 2.358 84 V HA -0.212 3.910 4.120 0.002 0.000 0.246 84 V C 2.618 178.645 176.094 -0.112 0.000 1.047 84 V CA 2.127 64.394 62.300 -0.055 0.000 1.035 84 V CB -0.837 30.935 31.823 -0.085 0.000 0.658 84 V HN 0.664 nan 8.190 nan 0.000 0.452 85 R N -0.656 119.732 120.500 -0.187 0.000 2.073 85 R HA -0.219 4.122 4.340 0.002 0.000 0.234 85 R C 2.516 178.692 176.300 -0.206 0.000 1.134 85 R CA 1.980 57.906 56.100 -0.290 0.000 0.952 85 R CB -0.540 29.410 30.300 -0.582 0.000 0.850 85 R HN 0.687 nan 8.270 nan 0.000 0.433 86 H N 0.341 119.266 119.070 -0.242 0.000 2.290 86 H HA -0.104 4.454 4.556 0.002 0.000 0.298 86 H C 1.795 177.064 175.328 -0.099 0.000 1.087 86 H CA 2.023 57.978 56.048 -0.155 0.000 1.291 86 H CB 0.178 29.882 29.762 -0.097 0.000 1.369 86 H HN 0.214 nan 8.280 nan 0.000 0.492 87 R N 0.018 120.462 120.500 -0.092 0.000 2.240 87 R HA -0.010 4.331 4.340 0.002 0.000 0.203 87 R C 0.143 176.375 176.300 -0.113 0.000 1.011 87 R CA 0.273 56.298 56.100 -0.125 0.000 1.007 87 R CB 0.262 30.559 30.300 -0.004 0.000 0.911 87 R HN 0.198 nan 8.270 nan 0.000 0.468 88 D N 0.556 120.891 120.400 -0.109 0.000 2.373 88 D HA 0.128 4.769 4.640 0.002 0.000 0.227 88 D C -1.904 174.335 176.300 -0.101 0.000 1.091 88 D CA -2.494 51.450 54.000 -0.094 0.000 0.840 88 D CB 1.866 42.605 40.800 -0.101 0.000 1.060 88 D HN -0.157 nan 8.370 nan 0.000 0.502 89 P HA -0.010 nan 4.420 nan 0.000 0.221 89 P C 0.887 178.151 177.300 -0.060 0.000 1.150 89 P CA 0.588 63.642 63.100 -0.075 0.000 0.800 89 P CB 0.294 31.961 31.700 -0.056 0.000 0.787 90 A N -0.676 122.118 122.820 -0.043 0.000 2.066 90 A HA 0.016 4.338 4.320 0.002 0.000 0.218 90 A C 1.034 178.592 177.584 -0.044 0.000 1.157 90 A CA 0.757 52.777 52.037 -0.029 0.000 0.670 90 A CB -0.829 18.172 19.000 0.001 0.000 0.804 90 A HN 0.077 nan 8.150 nan 0.000 0.453 91 V N 0.729 120.599 119.914 -0.074 0.000 2.364 91 V HA 0.217 4.339 4.120 0.002 0.000 0.272 91 V C 0.533 176.546 176.094 -0.135 0.000 1.036 91 V CA -0.109 62.135 62.300 -0.093 0.000 0.880 91 V CB 0.869 32.620 31.823 -0.120 0.000 0.991 91 V HN 0.584 nan 8.190 nan 0.000 0.460 92 E N 3.364 123.494 120.200 -0.116 0.000 2.290 92 E HA 0.291 4.642 4.350 0.002 0.000 0.199 92 E C 0.119 176.605 176.600 -0.189 0.000 0.912 92 E CA -0.014 56.300 56.400 -0.144 0.000 0.924 92 E CB 0.512 30.163 29.700 -0.082 0.000 0.901 92 E HN 0.550 nan 8.360 nan 0.000 0.487 93 L N 0.689 121.843 121.223 -0.114 0.000 2.350 93 L HA 0.156 4.497 4.340 0.002 0.000 0.275 93 L C 0.420 177.225 176.870 -0.108 0.000 1.099 93 L CA -0.426 54.375 54.840 -0.065 0.000 0.808 93 L CB 0.625 42.707 42.059 0.038 0.000 1.149 93 L HN 0.218 nan 8.230 nan 0.000 0.442 94 W N 0.441 121.696 121.300 -0.075 0.000 2.402 94 W HA -0.176 4.484 4.660 -0.001 0.000 0.286 94 W C 2.715 179.188 176.519 -0.078 0.000 1.221 94 W CA 1.172 58.467 57.345 -0.082 0.000 1.257 94 W CB -0.185 29.236 29.460 -0.065 0.000 1.120 94 W HN 0.739 nan 8.180 nan 0.000 0.551 95 S N -1.648 114.150 115.700 0.164 0.000 2.436 95 S HA -0.113 4.359 4.470 0.002 0.000 0.228 95 S C 1.616 176.226 174.600 0.017 0.000 1.014 95 S CA 1.444 59.693 58.200 0.082 0.000 0.950 95 S CB -0.856 62.385 63.200 0.068 0.000 0.784 95 S HN 0.130 nan 8.310 nan 0.000 0.504 96 T N 3.819 118.400 114.554 0.045 0.000 2.652 96 T HA -0.008 4.343 4.350 0.002 0.000 0.267 96 T C -0.667 174.025 174.700 -0.013 0.000 1.039 96 T CA 1.789 63.952 62.100 0.106 0.000 1.153 96 T CB -1.419 67.538 68.868 0.149 0.000 0.863 96 T HN 0.409 nan 8.240 nan 0.000 0.428 97 P HA -0.041 nan 4.420 nan 0.000 0.215 97 P C 1.732 178.763 177.300 -0.448 0.000 1.153 97 P CA 0.687 63.555 63.100 -0.386 0.000 0.853 97 P CB -0.204 31.106 31.700 -0.650 0.000 0.788 98 L N -1.397 119.627 121.223 -0.331 0.000 2.046 98 L HA -0.155 4.186 4.340 0.002 0.000 0.208 98 L C 1.845 178.866 176.870 0.252 0.000 1.077 98 L CA 1.962 56.814 54.840 0.020 0.000 0.747 98 L CB -0.748 41.350 42.059 0.065 0.000 0.896 98 L HN 0.002 nan 8.230 nan 0.000 0.432 99 L N -1.753 119.470 121.223 -0.001 0.000 2.253 99 L HA -0.063 4.278 4.340 0.002 0.000 0.205 99 L C 1.673 178.542 176.870 -0.002 0.000 1.078 99 L CA 1.616 56.351 54.840 -0.175 0.000 0.805 99 L CB -0.610 40.943 42.059 -0.845 0.000 0.963 99 L HN 0.226 nan 8.230 nan 0.000 0.459 100 Y N -2.494 117.971 120.300 0.275 0.000 2.448 100 Y HA 0.312 4.863 4.550 0.001 0.000 0.257 100 Y C 0.336 176.280 175.900 0.073 0.000 1.089 100 Y CA -0.691 57.535 58.100 0.211 0.000 1.245 100 Y CB 0.917 39.469 38.460 0.153 0.000 1.282 100 Y HN -0.237 nan 8.280 nan 0.000 0.529 101 L N 3.018 124.239 121.223 -0.004 0.000 2.257 101 L HA 0.266 4.607 4.340 0.002 0.000 0.290 101 L C 1.244 177.932 176.870 -0.303 0.000 1.044 101 L CA -0.278 54.509 54.840 -0.088 0.000 0.810 101 L CB 1.429 43.443 42.059 -0.076 0.000 1.193 101 L HN 0.199 nan 8.230 nan 0.000 0.425 102 K N 2.278 122.632 120.400 -0.078 0.000 2.217 102 K HA -0.039 4.282 4.320 0.002 0.000 0.202 102 K C 1.538 178.033 176.600 -0.176 0.000 1.051 102 K CA 1.154 57.386 56.287 -0.091 0.000 0.952 102 K CB -0.003 32.630 32.500 0.221 0.000 0.736 102 K HN 0.709 nan 8.250 nan 0.000 0.453 103 G N 1.111 109.892 108.800 -0.033 0.000 2.422 103 G HA2 -0.271 3.690 3.960 0.002 0.000 0.218 103 G HA3 -0.271 3.690 3.960 0.002 0.000 0.218 103 G C 1.246 176.102 174.900 -0.074 0.000 1.146 103 G CA 0.582 45.711 45.100 0.049 0.000 0.769 103 G HN 0.410 nan 8.290 nan 0.000 0.547 104 F N 1.212 121.006 119.950 -0.261 0.000 2.146 104 F HA 0.021 4.551 4.527 0.004 0.000 0.298 104 F C 2.573 178.213 175.800 -0.267 0.000 1.096 104 F CA 1.707 59.547 58.000 -0.266 0.000 1.275 104 F CB -0.414 38.424 39.000 -0.269 0.000 1.008 104 F HN 0.331 nan 8.300 nan 0.000 0.480 105 H N -0.588 118.216 119.070 -0.444 0.000 2.389 105 H HA -0.017 4.540 4.556 0.002 0.000 0.299 105 H C 2.391 177.289 175.328 -0.718 0.000 1.081 105 H CA 0.726 56.359 56.048 -0.692 0.000 1.345 105 H CB -0.266 28.911 29.762 -0.974 0.000 1.393 105 H HN 0.376 nan 8.280 nan 0.000 0.520 106 A N 1.192 123.675 122.820 -0.561 0.000 1.865 106 A HA -0.167 4.155 4.320 0.002 0.000 0.217 106 A C 2.356 179.857 177.584 -0.138 0.000 1.191 106 A CA 1.502 53.446 52.037 -0.155 0.000 0.623 106 A CB -0.752 18.262 19.000 0.025 0.000 0.826 106 A HN 0.308 nan 8.150 nan 0.000 0.444 107 I N -0.385 119.975 120.570 -0.351 0.000 2.127 107 I HA -0.309 3.863 4.170 0.002 0.000 0.241 107 I C 2.663 178.677 176.117 -0.171 0.000 1.075 107 I CA 1.490 62.553 61.300 -0.396 0.000 1.334 107 I CB -0.353 37.292 38.000 -0.592 0.000 1.040 107 I HN 0.319 nan 8.210 nan 0.000 0.405 108 Q N 0.208 119.809 119.800 -0.331 0.000 2.167 108 Q HA -0.105 4.236 4.340 0.002 0.000 0.202 108 Q C 2.387 178.350 176.000 -0.060 0.000 0.970 108 Q CA 1.419 57.084 55.803 -0.231 0.000 0.855 108 Q CB -0.585 27.908 28.738 -0.409 0.000 0.911 108 Q HN 0.441 nan 8.270 nan 0.000 0.438 109 S N 0.528 116.216 115.700 -0.020 0.000 2.387 109 S HA -0.128 4.344 4.470 0.002 0.000 0.226 109 S C 1.710 176.355 174.600 0.075 0.000 1.026 109 S CA 0.883 59.126 58.200 0.073 0.000 0.972 109 S CB -0.417 62.904 63.200 0.202 0.000 0.814 109 S HN 0.545 nan 8.310 nan 0.000 0.477 110 Y N 2.960 123.255 120.300 -0.009 0.000 2.207 110 Y HA -0.167 4.384 4.550 0.002 0.000 0.287 110 Y C 2.065 177.989 175.900 0.041 0.000 1.156 110 Y CA 1.453 59.551 58.100 -0.004 0.000 1.182 110 Y CB -0.341 38.084 38.460 -0.059 0.000 0.979 110 Y HN 0.056 nan 8.280 nan 0.000 0.521 111 R N -0.058 120.219 120.500 -0.371 0.000 2.152 111 R HA -0.135 4.207 4.340 0.002 0.000 0.232 111 R C 1.924 178.143 176.300 -0.135 0.000 1.117 111 R CA 1.391 57.271 56.100 -0.366 0.000 0.981 111 R CB -0.274 29.981 30.300 -0.075 0.000 0.870 111 R HN 0.385 nan 8.270 nan 0.000 0.451 112 I N 0.814 121.348 120.570 -0.059 0.000 2.286 112 I HA -0.177 3.994 4.170 0.002 0.000 0.245 112 I C 2.567 178.726 176.117 0.069 0.000 1.104 112 I CA 1.732 63.046 61.300 0.023 0.000 1.397 112 I CB -1.595 36.405 38.000 -0.001 0.000 1.072 112 I HN 0.255 nan 8.210 nan 0.000 0.417 113 T N -2.070 112.481 114.554 -0.005 0.000 2.904 113 T HA -0.217 4.134 4.350 0.002 0.000 0.267 113 T C 1.930 176.663 174.700 0.055 0.000 1.059 113 T CA 1.485 63.607 62.100 0.037 0.000 1.137 113 T CB -0.671 68.209 68.868 0.020 0.000 0.879 113 T HN 0.353 nan 8.240 nan 0.000 0.467 114 H N 0.146 119.098 119.070 -0.196 0.000 2.326 114 H HA -0.019 4.539 4.556 0.002 0.000 0.301 114 H C 2.023 177.385 175.328 0.056 0.000 1.081 114 H CA 1.692 57.660 56.048 -0.133 0.000 1.334 114 H CB -0.752 28.755 29.762 -0.426 0.000 1.385 114 H HN 0.445 nan 8.280 nan 0.000 0.504 115 Y N 0.740 121.002 120.300 -0.064 0.000 2.081 115 Y HA -0.275 4.276 4.550 0.003 0.000 0.280 115 Y C 2.142 178.021 175.900 -0.035 0.000 1.163 115 Y CA 2.164 60.228 58.100 -0.058 0.000 1.135 115 Y CB -0.630 37.821 38.460 -0.015 0.000 0.970 115 Y HN 0.251 nan 8.280 nan 0.000 0.498 116 L N -0.960 120.230 121.223 -0.055 0.000 2.093 116 L HA -0.245 4.096 4.340 0.002 0.000 0.208 116 L C 2.595 179.403 176.870 -0.103 0.000 1.085 116 L CA 1.388 56.148 54.840 -0.134 0.000 0.755 116 L CB -0.862 41.233 42.059 0.060 0.000 0.904 116 L HN 0.530 nan 8.230 nan 0.000 0.435 117 W N 1.491 122.678 121.300 -0.189 0.000 2.338 117 W HA -0.222 4.440 4.660 0.003 0.000 0.304 117 W C 2.015 178.416 176.519 -0.198 0.000 1.212 117 W CA 1.569 58.823 57.345 -0.150 0.000 1.264 117 W CB -0.203 29.199 29.460 -0.097 0.000 1.142 117 W HN 0.275 nan 8.180 nan 0.000 0.512 118 N N 0.289 118.928 118.700 -0.101 0.000 2.453 118 N HA -0.124 4.617 4.740 0.002 0.000 0.183 118 N C 1.247 176.594 175.510 -0.272 0.000 1.041 118 N CA 1.065 53.998 53.050 -0.196 0.000 0.900 118 N CB -0.425 37.934 38.487 -0.214 0.000 0.961 118 N HN 0.336 nan 8.380 nan 0.000 0.443 119 Q N 0.535 120.118 119.800 -0.362 0.000 2.222 119 Q HA 0.161 4.502 4.340 0.002 0.000 0.206 119 Q C -0.310 175.534 176.000 -0.259 0.000 0.877 119 Q CA -0.195 55.409 55.803 -0.332 0.000 0.958 119 Q CB -0.139 28.331 28.738 -0.445 0.000 1.075 119 Q HN 0.221 nan 8.270 nan 0.000 0.483 120 N N 1.734 120.259 118.700 -0.292 0.000 2.727 120 N HA -0.195 4.546 4.740 0.002 0.000 0.249 120 N C -0.680 174.692 175.510 -0.231 0.000 1.048 120 N CA 0.635 53.505 53.050 -0.299 0.000 0.714 120 N CB -0.712 37.633 38.487 -0.236 0.000 0.959 120 N HN 0.398 nan 8.380 nan 0.000 0.544 121 R N 0.674 121.051 120.500 -0.205 0.000 3.752 121 R HA 0.186 4.527 4.340 0.002 0.000 0.291 121 R C 1.132 177.383 176.300 -0.081 0.000 1.433 121 R CA -0.413 55.613 56.100 -0.123 0.000 1.518 121 R CB 0.558 30.806 30.300 -0.087 0.000 1.413 121 R HN 0.161 nan 8.270 nan 0.000 0.676 122 K N 0.043 120.349 120.400 -0.157 0.000 2.103 122 K HA -0.043 4.278 4.320 0.002 0.000 0.204 122 K C 1.715 178.358 176.600 0.070 0.000 1.052 122 K CA 0.974 57.189 56.287 -0.121 0.000 0.945 122 K CB 0.118 32.361 32.500 -0.427 0.000 0.722 122 K HN 0.089 nan 8.250 nan 0.000 0.443 123 S N 1.438 117.149 115.700 0.018 0.000 2.399 123 S HA -0.048 4.423 4.470 0.002 0.000 0.231 123 S C 1.782 176.441 174.600 0.098 0.000 1.022 123 S CA 0.788 59.022 58.200 0.057 0.000 0.983 123 S CB -0.059 63.150 63.200 0.014 0.000 0.803 123 S HN 0.232 nan 8.310 nan 0.000 0.480 124 L N 0.456 121.726 121.223 0.078 0.000 2.131 124 L HA -0.012 4.329 4.340 0.002 0.000 0.206 124 L C 2.577 179.556 176.870 0.182 0.000 1.087 124 L CA 1.111 56.020 54.840 0.114 0.000 0.767 124 L CB -0.588 41.505 42.059 0.056 0.000 0.917 124 L HN 0.356 nan 8.230 nan 0.000 0.441 125 A N 0.030 122.951 122.820 0.168 0.000 1.902 125 A HA -0.197 4.125 4.320 0.002 0.000 0.217 125 A C 2.135 179.801 177.584 0.136 0.000 1.181 125 A CA 1.381 53.525 52.037 0.180 0.000 0.623 125 A CB -0.602 18.583 19.000 0.309 0.000 0.818 125 A HN 0.427 nan 8.150 nan 0.000 0.443 126 L N -2.181 119.142 121.223 0.166 0.000 2.056 126 L HA -0.162 4.180 4.340 0.002 0.000 0.207 126 L C 2.589 179.512 176.870 0.088 0.000 1.078 126 L CA 1.695 56.597 54.840 0.103 0.000 0.749 126 L CB -0.745 41.400 42.059 0.143 0.000 0.901 126 L HN 0.605 nan 8.230 nan 0.000 0.433 127 Y N 1.090 121.406 120.300 0.026 0.000 2.114 127 Y HA -0.296 4.256 4.550 0.002 0.000 0.282 127 Y C 2.301 178.202 175.900 0.002 0.000 1.165 127 Y CA 1.756 59.862 58.100 0.010 0.000 1.148 127 Y CB -0.285 38.179 38.460 0.007 0.000 0.972 127 Y HN 0.004 nan 8.280 nan 0.000 0.504 128 L N 0.149 121.340 121.223 -0.054 0.000 2.156 128 L HA -0.198 4.144 4.340 0.002 0.000 0.208 128 L C 2.693 179.496 176.870 -0.113 0.000 1.095 128 L CA 1.542 56.304 54.840 -0.130 0.000 0.770 128 L CB -0.751 41.336 42.059 0.047 0.000 0.914 128 L HN 0.338 nan 8.230 nan 0.000 0.439 129 Q N 0.754 120.516 119.800 -0.062 0.000 2.133 129 Q HA -0.300 4.042 4.340 0.002 0.000 0.208 129 Q C 2.026 177.977 176.000 -0.083 0.000 0.991 129 Q CA 2.265 58.032 55.803 -0.059 0.000 0.867 129 Q CB -0.169 28.514 28.738 -0.092 0.000 0.911 129 Q HN 0.559 nan 8.270 nan 0.000 0.417 130 N N -1.200 117.419 118.700 -0.135 0.000 2.171 130 N HA -0.168 4.573 4.740 0.002 0.000 0.184 130 N C 1.735 177.122 175.510 -0.205 0.000 1.021 130 N CA 0.872 53.834 53.050 -0.147 0.000 0.854 130 N CB 0.106 38.507 38.487 -0.144 0.000 0.994 130 N HN 0.270 nan 8.380 nan 0.000 0.426 131 Q N 1.179 120.785 119.800 -0.323 0.000 2.061 131 Q HA -0.118 4.224 4.340 0.002 0.000 0.204 131 Q C 2.333 178.164 176.000 -0.281 0.000 0.984 131 Q CA 1.043 56.647 55.803 -0.332 0.000 0.846 131 Q CB -0.553 27.945 28.738 -0.400 0.000 0.902 131 Q HN 0.537 nan 8.270 nan 0.000 0.421 132 I N 0.308 120.771 120.570 -0.180 0.000 2.151 132 I HA -0.298 3.873 4.170 0.002 0.000 0.243 132 I C 2.586 178.667 176.117 -0.061 0.000 1.080 132 I CA 1.384 62.642 61.300 -0.070 0.000 1.339 132 I CB -0.363 37.709 38.000 0.119 0.000 1.039 132 I HN 0.140 nan 8.210 nan 0.000 0.409 133 S N -0.043 115.629 115.700 -0.046 0.000 2.382 133 S HA -0.116 4.356 4.470 0.002 0.000 0.228 133 S C 2.001 176.569 174.600 -0.052 0.000 1.027 133 S CA 1.222 59.414 58.200 -0.013 0.000 0.991 133 S CB -0.110 63.081 63.200 -0.016 0.000 0.823 133 S HN 0.235 nan 8.310 nan 0.000 0.469 134 V N 1.465 121.305 119.914 -0.122 0.000 2.346 134 V HA 0.054 4.175 4.120 0.002 0.000 0.244 134 V C 2.782 178.771 176.094 -0.176 0.000 1.037 134 V CA 1.506 63.731 62.300 -0.124 0.000 1.029 134 V CB -1.017 30.727 31.823 -0.133 0.000 0.663 134 V HN 0.570 nan 8.190 nan 0.000 0.454 135 A N -0.711 121.893 122.820 -0.359 0.000 1.930 135 A HA -0.094 4.227 4.320 0.002 0.000 0.217 135 A C 1.843 179.176 177.584 -0.419 0.000 1.175 135 A CA 1.823 53.524 52.037 -0.561 0.000 0.627 135 A CB -0.436 17.903 19.000 -1.101 0.000 0.815 135 A HN 0.594 nan 8.150 nan 0.000 0.443 136 F N -1.481 118.504 119.950 0.060 0.000 2.746 136 F HA 0.195 4.723 4.527 0.002 0.000 0.320 136 F C 0.019 175.866 175.800 0.078 0.000 1.097 136 F CA -0.045 58.008 58.000 0.090 0.000 1.195 136 F CB 0.662 39.731 39.000 0.115 0.000 1.056 136 F HN 0.119 nan 8.300 nan 0.000 0.562 137 D N 1.192 121.691 120.400 0.166 0.000 3.017 137 D HA -0.126 4.515 4.640 0.002 0.000 0.220 137 D C -0.641 175.737 176.300 0.130 0.000 1.141 137 D CA 0.330 54.400 54.000 0.117 0.000 0.848 137 D CB -1.540 39.326 40.800 0.109 0.000 1.102 137 D HN 0.088 nan 8.370 nan 0.000 0.427 138 V N 0.955 120.968 119.914 0.166 0.000 2.483 138 V HA 0.290 4.411 4.120 0.002 0.000 0.297 138 V C -0.150 176.021 176.094 0.128 0.000 1.027 138 V CA -0.680 61.721 62.300 0.168 0.000 0.855 138 V CB 2.403 34.381 31.823 0.258 0.000 0.995 138 V HN -0.025 nan 8.190 nan 0.000 0.424 139 D N 5.299 125.749 120.400 0.084 0.000 2.427 139 D HA 0.505 5.147 4.640 0.002 0.000 0.226 139 D C -0.766 175.562 176.300 0.048 0.000 1.076 139 D CA -0.103 53.929 54.000 0.054 0.000 0.849 139 D CB 0.970 41.788 40.800 0.029 0.000 1.052 139 D HN 0.436 nan 8.370 nan 0.000 0.515 140 I N 3.477 124.080 120.570 0.055 0.000 2.418 140 I HA 0.134 4.305 4.170 0.002 0.000 0.287 140 I C 0.323 176.464 176.117 0.041 0.000 1.008 140 I CA -0.962 60.355 61.300 0.028 0.000 1.104 140 I CB 1.881 39.878 38.000 -0.004 0.000 1.264 140 I HN 0.314 nan 8.210 nan 0.000 0.438 141 H N 8.114 127.136 119.070 -0.081 0.000 2.764 141 H HA 0.131 4.689 4.556 0.002 0.000 0.341 141 H C -1.886 173.389 175.328 -0.089 0.000 1.072 141 H CA -1.180 54.788 56.048 -0.134 0.000 1.444 141 H CB 1.829 31.461 29.762 -0.217 0.000 1.458 141 H HN 0.336 nan 8.280 nan 0.000 0.572 142 P HA -0.141 nan 4.420 nan 0.000 0.217 142 P C 0.827 178.060 177.300 -0.112 0.000 1.148 142 P CA 1.943 64.907 63.100 -0.227 0.000 0.828 142 P CB 0.106 31.542 31.700 -0.441 0.000 0.783 143 A N -1.053 121.609 122.820 -0.263 0.000 2.167 143 A HA 0.315 4.636 4.320 0.002 0.000 0.214 143 A C 1.273 178.938 177.584 0.135 0.000 1.151 143 A CA 0.437 52.386 52.037 -0.145 0.000 0.735 143 A CB -1.063 17.782 19.000 -0.259 0.000 0.802 143 A HN 0.237 nan 8.150 nan 0.000 0.467 144 A N 0.144 123.042 122.820 0.129 0.000 2.466 144 A HA 0.451 4.772 4.320 0.002 0.000 0.238 144 A C 0.164 177.771 177.584 0.038 0.000 1.074 144 A CA 0.121 52.176 52.037 0.030 0.000 0.774 144 A CB 0.069 19.012 19.000 -0.095 0.000 1.015 144 A HN 0.391 nan 8.150 nan 0.000 0.498 145 K N 1.054 121.433 120.400 -0.035 0.000 2.394 145 K HA 0.587 4.909 4.320 0.002 0.000 0.260 145 K C -1.304 175.243 176.600 -0.088 0.000 0.967 145 K CA 0.204 56.448 56.287 -0.071 0.000 0.855 145 K CB 1.443 33.949 32.500 0.009 0.000 1.101 145 K HN 0.597 nan 8.250 nan 0.000 0.433 146 I N 2.184 122.706 120.570 -0.080 0.000 2.436 146 I HA 0.314 4.486 4.170 0.002 0.000 0.289 146 I C 0.852 176.949 176.117 -0.032 0.000 1.010 146 I CA -0.829 60.413 61.300 -0.096 0.000 1.098 146 I CB 1.981 39.834 38.000 -0.246 0.000 1.266 146 I HN 0.704 nan 8.210 nan 0.000 0.434 147 G N 4.843 113.601 108.800 -0.070 0.000 2.580 147 G HA2 0.234 4.196 3.960 0.002 0.000 0.225 147 G HA3 0.234 4.196 3.960 0.002 0.000 0.225 147 G C -0.242 174.623 174.900 -0.058 0.000 1.521 147 G CA -0.116 44.917 45.100 -0.111 0.000 1.068 147 G HN 0.770 nan 8.290 nan 0.000 0.564 148 H N -3.349 115.725 119.070 0.007 0.000 2.834 148 H HA 0.496 5.053 4.556 0.002 0.000 0.369 148 H C 0.493 175.834 175.328 0.022 0.000 1.174 148 H CA -0.534 55.523 56.048 0.015 0.000 1.165 148 H CB 1.252 31.027 29.762 0.023 0.000 1.820 148 H HN 1.522 nan 8.280 nan 0.000 0.558 149 G N 0.947 109.868 108.800 0.202 0.000 2.182 149 G HA2 -0.238 3.723 3.960 0.002 0.000 0.248 149 G HA3 -0.238 3.723 3.960 0.002 0.000 0.248 149 G C -0.490 174.456 174.900 0.076 0.000 1.042 149 G CA 0.340 45.519 45.100 0.131 0.000 0.775 149 G HN 0.494 nan 8.290 nan 0.000 0.501 153 D N 4.237 124.672 120.400 0.058 0.000 2.295 153 D HA 0.186 4.827 4.640 0.002 0.000 0.248 153 D C 0.344 176.588 176.300 -0.094 0.000 1.154 153 D CA 0.785 54.714 54.000 -0.118 0.000 0.857 153 D CB 0.390 41.120 40.800 -0.117 0.000 1.117 153 D HN 0.476 nan 8.370 nan 0.000 0.468 154 H N 2.315 121.414 119.070 0.049 0.000 2.604 154 H HA -0.182 4.375 4.556 0.002 0.000 0.324 154 H C 0.883 176.243 175.328 0.052 0.000 1.068 154 H CA 0.587 56.663 56.048 0.046 0.000 1.091 154 H CB -1.512 28.265 29.762 0.025 0.000 1.611 154 H HN 0.469 nan 8.280 nan 0.000 0.387 155 A N 1.700 124.613 122.820 0.155 0.000 2.186 155 A HA -0.117 4.205 4.320 0.002 0.000 0.219 155 A C 1.702 179.352 177.584 0.111 0.000 1.159 155 A CA 1.358 53.483 52.037 0.146 0.000 0.680 155 A CB -0.139 18.994 19.000 0.222 0.000 0.787 155 A HN 0.660 nan 8.150 nan 0.000 0.467 156 T N -0.378 114.249 114.554 0.120 0.000 2.778 156 T HA 0.361 4.713 4.350 0.002 0.000 0.282 156 T C 1.295 176.024 174.700 0.048 0.000 0.983 156 T CA 1.425 63.581 62.100 0.092 0.000 1.193 156 T CB -0.251 68.670 68.868 0.089 0.000 0.938 156 T HN 1.656 nan 8.240 nan 0.000 0.523 157 G N 4.417 113.241 108.800 0.040 0.000 2.179 157 G HA2 -0.190 3.771 3.960 0.002 0.000 0.220 157 G HA3 -0.190 3.771 3.960 0.002 0.000 0.220 157 G C 0.230 175.121 174.900 -0.014 0.000 0.990 157 G CA -0.095 45.011 45.100 0.011 0.000 0.646 157 G HN 0.818 nan 8.290 nan 0.000 0.517 158 I N 1.259 121.813 120.570 -0.026 0.000 2.588 158 I HA 0.388 4.560 4.170 0.002 0.000 0.283 158 I C 0.384 176.477 176.117 -0.038 0.000 1.119 158 I CA -0.100 61.146 61.300 -0.089 0.000 1.419 158 I CB 1.273 39.151 38.000 -0.204 0.000 1.394 158 I HN -0.075 nan 8.210 nan 0.000 0.562 159 V N 7.211 127.089 119.914 -0.060 0.000 2.638 159 V HA 0.440 4.562 4.120 0.002 0.000 0.306 159 V C -0.439 175.619 176.094 -0.061 0.000 1.052 159 V CA -0.609 61.671 62.300 -0.034 0.000 0.885 159 V CB 2.199 34.010 31.823 -0.021 0.000 0.999 159 V HN 0.379 nan 8.190 nan 0.000 0.424 160 V N 3.554 123.432 119.914 -0.059 0.000 2.525 160 V HA 0.731 4.853 4.120 0.002 0.000 0.299 160 V C 0.596 176.590 176.094 -0.166 0.000 1.034 160 V CA -0.288 61.948 62.300 -0.107 0.000 0.863 160 V CB 1.826 33.596 31.823 -0.089 0.000 0.999 160 V HN 0.957 nan 8.190 nan 0.000 0.423 161 G N 1.822 110.417 108.800 -0.342 0.000 2.528 161 G HA2 0.385 4.346 3.960 0.002 0.000 0.289 161 G HA3 0.385 4.346 3.960 0.002 0.000 0.289 161 G C 0.613 175.074 174.900 -0.732 0.000 1.192 161 G CA -0.078 44.630 45.100 -0.653 0.000 0.921 161 G HN 0.838 nan 8.290 nan 0.000 0.512 162 E N -0.911 118.863 120.200 -0.710 0.000 2.219 162 E HA -0.145 4.207 4.350 0.002 0.000 0.198 162 E C 1.675 178.124 176.600 -0.252 0.000 0.998 162 E CA 1.577 57.622 56.400 -0.592 0.000 0.818 162 E CB 0.106 29.355 29.700 -0.752 0.000 0.741 162 E HN 0.402 nan 8.360 nan 0.000 0.477 163 T N -0.007 114.483 114.554 -0.106 0.000 3.054 163 T HA 0.140 4.492 4.350 0.002 0.000 0.255 163 T C -0.036 174.710 174.700 0.076 0.000 1.035 163 T CA -0.119 62.059 62.100 0.130 0.000 0.941 163 T CB 0.425 69.519 68.868 0.376 0.000 1.026 163 T HN 0.006 nan 8.240 nan 0.000 0.533 164 S N 1.182 116.847 115.700 -0.058 0.000 2.584 164 S HA 0.388 4.859 4.470 0.002 0.000 0.270 164 S C -0.156 174.425 174.600 -0.031 0.000 1.346 164 S CA -0.453 57.727 58.200 -0.034 0.000 1.018 164 S CB 1.215 64.346 63.200 -0.115 0.000 0.899 164 S HN 0.113 nan 8.310 nan 0.000 0.542 165 V N 2.909 122.809 119.914 -0.024 0.000 2.569 165 V HA 0.441 4.563 4.120 0.002 0.000 0.301 165 V C -0.681 175.384 176.094 -0.048 0.000 1.044 165 V CA -0.469 61.813 62.300 -0.031 0.000 0.874 165 V CB 1.402 33.219 31.823 -0.011 0.000 1.002 165 V HN 0.737 nan 8.190 nan 0.000 0.424 166 I N 3.956 124.488 120.570 -0.063 0.000 2.389 166 I HA 0.495 4.667 4.170 0.002 0.000 0.288 166 I C 0.314 176.385 176.117 -0.077 0.000 0.999 166 I CA -0.438 60.823 61.300 -0.064 0.000 1.129 166 I CB 1.889 39.862 38.000 -0.046 0.000 1.288 166 I HN 0.596 nan 8.210 nan 0.000 0.444 167 E N 4.069 124.214 120.200 -0.092 0.000 2.561 167 E HA 0.290 4.641 4.350 0.002 0.000 0.254 167 E C -0.380 176.129 176.600 -0.152 0.000 1.213 167 E CA -0.927 55.403 56.400 -0.117 0.000 0.995 167 E CB 0.746 30.378 29.700 -0.114 0.000 1.233 167 E HN 0.445 nan 8.360 nan 0.000 0.556 168 N N 1.751 120.328 118.700 -0.206 0.000 2.381 168 N HA -0.057 4.685 4.740 0.002 0.000 0.241 168 N C -0.424 174.990 175.510 -0.160 0.000 1.279 168 N CA 0.550 53.445 53.050 -0.258 0.000 0.896 168 N CB 0.134 38.410 38.487 -0.352 0.000 1.118 168 N HN 0.438 nan 8.380 nan 0.000 0.438 169 D N -1.806 118.536 120.400 -0.097 0.000 3.059 169 D HA -0.156 4.485 4.640 0.002 0.000 0.220 169 D C -0.473 175.796 176.300 -0.053 0.000 1.169 169 D CA 0.549 54.525 54.000 -0.040 0.000 0.902 169 D CB -1.454 39.334 40.800 -0.021 0.000 1.116 169 D HN 0.148 nan 8.370 nan 0.000 0.417 170 V N 0.376 120.254 119.914 -0.059 0.000 2.775 170 V HA 0.349 4.471 4.120 0.002 0.000 0.299 170 V C 0.862 176.967 176.094 0.017 0.000 1.062 170 V CA 0.133 62.404 62.300 -0.047 0.000 1.063 170 V CB 1.872 33.666 31.823 -0.048 0.000 0.994 170 V HN 0.105 nan 8.190 nan 0.000 0.483 171 S N 4.612 120.316 115.700 0.006 0.000 2.532 171 S HA 0.709 5.181 4.470 0.002 0.000 0.299 171 S C -0.671 173.921 174.600 -0.014 0.000 1.105 171 S CA -0.393 57.826 58.200 0.030 0.000 1.018 171 S CB 1.222 64.438 63.200 0.027 0.000 1.021 171 S HN 0.497 nan 8.310 nan 0.000 0.483 172 I N 3.555 124.103 120.570 -0.036 0.000 2.466 172 I HA 0.376 4.547 4.170 0.002 0.000 0.289 172 I C -0.546 175.480 176.117 -0.151 0.000 1.026 172 I CA -0.658 60.537 61.300 -0.174 0.000 1.078 172 I CB 1.325 39.062 38.000 -0.439 0.000 1.249 172 I HN 0.302 nan 8.210 nan 0.000 0.429 173 L N 4.547 125.710 121.223 -0.099 0.000 2.448 173 L HA 0.306 4.647 4.340 0.002 0.000 0.258 173 L C 0.500 177.335 176.870 -0.057 0.000 1.104 173 L CA -0.739 54.086 54.840 -0.024 0.000 0.800 173 L CB 0.805 42.875 42.059 0.019 0.000 1.241 173 L HN 0.653 nan 8.230 nan 0.000 0.472 174 Q N 0.608 120.421 119.800 0.023 0.000 2.354 174 Q HA -0.034 4.307 4.340 0.002 0.000 0.310 174 Q C 0.682 176.660 176.000 -0.037 0.000 1.104 174 Q CA 0.733 56.538 55.803 0.004 0.000 0.968 174 Q CB -0.131 28.628 28.738 0.034 0.000 1.251 174 Q HN 0.849 nan 8.270 nan 0.000 0.411 175 G N 1.015 109.791 108.800 -0.041 0.000 2.168 175 G HA2 -0.258 3.703 3.960 0.002 0.000 0.263 175 G HA3 -0.258 3.703 3.960 0.002 0.000 0.263 175 G C -0.019 174.844 174.900 -0.060 0.000 0.977 175 G CA 0.148 45.222 45.100 -0.042 0.000 0.659 175 G HN 0.605 nan 8.290 nan 0.000 0.533 176 V N 1.158 121.014 119.914 -0.097 0.000 2.530 176 V HA 0.573 4.695 4.120 0.002 0.000 0.282 176 V C 0.742 176.770 176.094 -0.109 0.000 1.048 176 V CA 0.432 62.665 62.300 -0.112 0.000 0.997 176 V CB 1.587 33.311 31.823 -0.165 0.000 0.987 176 V HN 0.286 nan 8.190 nan 0.000 0.477 177 T N 6.657 121.164 114.554 -0.077 0.000 2.829 177 T HA 0.589 4.941 4.350 0.002 0.000 0.280 177 T C -0.402 174.266 174.700 -0.053 0.000 0.999 177 T CA -0.353 61.712 62.100 -0.058 0.000 0.983 177 T CB 0.937 69.786 68.868 -0.030 0.000 0.968 177 T HN 0.379 nan 8.240 nan 0.000 0.446 178 L N 3.566 124.757 121.223 -0.052 0.000 2.337 178 L HA 0.680 5.021 4.340 0.002 0.000 0.269 178 L C 0.703 177.592 176.870 0.032 0.000 1.018 178 L CA -0.459 54.365 54.840 -0.027 0.000 0.876 178 L CB 0.532 42.557 42.059 -0.056 0.000 1.236 178 L HN 0.984 nan 8.230 nan 0.000 0.436 179 G N 1.317 110.170 108.800 0.088 0.000 2.515 179 G HA2 0.373 4.334 3.960 0.002 0.000 0.686 179 G HA3 0.373 4.334 3.960 0.002 0.000 0.686 179 G C -0.316 174.713 174.900 0.215 0.000 1.274 179 G CA -0.315 44.914 45.100 0.214 0.000 0.874 179 G HN 1.034 nan 8.290 nan 0.000 0.631 180 G N -0.585 108.239 108.800 0.039 0.000 3.380 180 G HA2 0.487 4.448 3.960 0.002 0.000 0.685 180 G HA3 0.487 4.448 3.960 0.002 0.000 0.685 180 G C -0.219 174.655 174.900 -0.043 0.000 1.136 180 G CA 0.484 45.547 45.100 -0.061 0.000 1.011 180 G HN 1.754 nan 8.290 nan 0.000 0.471 181 T N 1.550 116.059 114.554 -0.075 0.000 2.928 181 T HA 0.575 4.927 4.350 0.002 0.000 0.284 181 T C 1.897 176.573 174.700 -0.040 0.000 1.008 181 T CA 0.472 62.544 62.100 -0.046 0.000 1.057 181 T CB 1.722 70.561 68.868 -0.048 0.000 1.018 181 T HN 1.493 nan 8.240 nan 0.000 0.493 182 G N 0.965 109.750 108.800 -0.024 0.000 2.564 182 G HA2 -0.204 3.758 3.960 0.002 0.000 0.217 182 G HA3 -0.204 3.758 3.960 0.002 0.000 0.217 182 G C 1.166 176.054 174.900 -0.020 0.000 1.120 182 G CA 0.939 46.029 45.100 -0.017 0.000 0.752 182 G HN 0.611 nan 8.290 nan 0.000 0.558 183 K N -0.283 120.099 120.400 -0.030 0.000 2.183 183 K HA 0.236 4.558 4.320 0.002 0.000 0.218 183 K C 1.375 177.955 176.600 -0.034 0.000 1.025 183 K CA 0.108 56.378 56.287 -0.029 0.000 0.944 183 K CB 0.047 32.528 32.500 -0.031 0.000 0.936 183 K HN 0.201 nan 8.250 nan 0.000 0.460 184 E N 0.489 120.657 120.200 -0.053 0.000 2.855 184 E HA 0.186 4.538 4.350 0.002 0.000 0.259 184 E C -0.534 176.037 176.600 -0.048 0.000 1.390 184 E CA -0.124 56.245 56.400 -0.053 0.000 1.069 184 E CB 1.039 30.696 29.700 -0.071 0.000 1.172 184 E HN 0.102 nan 8.360 nan 0.000 0.668 185 S N -1.745 113.930 115.700 -0.040 0.000 2.685 185 S HA 0.557 5.029 4.470 0.002 0.000 0.282 185 S C -0.634 173.948 174.600 -0.030 0.000 1.159 185 S CA -0.338 57.844 58.200 -0.031 0.000 0.833 185 S CB 1.783 64.978 63.200 -0.007 0.000 1.151 185 S HN 0.819 nan 8.310 nan 0.000 0.485 186 G N 1.891 110.684 108.800 -0.012 0.000 2.374 186 G HA2 -0.009 3.952 3.960 0.002 0.000 0.289 186 G HA3 -0.009 3.952 3.960 0.002 0.000 0.289 186 G C -0.260 174.632 174.900 -0.012 0.000 1.004 186 G CA 0.500 45.600 45.100 -0.000 0.000 1.292 186 G HN 1.024 nan 8.290 nan 0.000 0.502 187 D N -1.467 118.923 120.400 -0.016 0.000 3.358 187 D HA -0.116 4.526 4.640 0.002 0.000 0.249 187 D C 1.083 177.329 176.300 -0.090 0.000 1.025 187 D CA 0.813 54.801 54.000 -0.019 0.000 0.981 187 D CB -0.613 40.188 40.800 0.002 0.000 0.973 187 D HN 0.687 nan 8.370 nan 0.000 0.421 188 R N 0.587 120.951 120.500 -0.227 0.000 2.437 188 R HA 0.258 4.599 4.340 0.002 0.000 0.257 188 R C 0.118 176.137 176.300 -0.469 0.000 0.927 188 R CA 0.188 56.047 56.100 -0.402 0.000 1.078 188 R CB 0.415 30.346 30.300 -0.615 0.000 1.161 188 R HN 0.351 nan 8.270 nan 0.000 0.529 189 H N -0.705 118.346 119.070 -0.031 0.000 2.622 189 H HA 0.389 4.946 4.556 0.003 0.000 0.363 189 H C -2.482 172.827 175.328 -0.033 0.000 1.151 189 H CA -2.486 53.540 56.048 -0.036 0.000 1.184 189 H CB 1.368 31.103 29.762 -0.045 0.000 1.643 189 H HN -0.240 nan 8.280 nan 0.000 0.531 190 P HA -0.070 nan 4.420 nan 0.000 0.269 190 P C -0.763 176.547 177.300 0.017 0.000 1.205 190 P CA 0.217 63.336 63.100 0.031 0.000 0.780 190 P CB 0.561 32.269 31.700 0.013 0.000 0.858 191 K N 1.469 121.866 120.400 -0.006 0.000 2.572 191 K HA 0.342 4.663 4.320 0.002 0.000 0.244 191 K C -1.227 175.351 176.600 -0.037 0.000 0.965 191 K CA -0.644 55.632 56.287 -0.017 0.000 0.943 191 K CB 1.227 33.719 32.500 -0.012 0.000 1.154 191 K HN 0.098 nan 8.250 nan 0.000 0.447 192 V N 4.973 124.857 119.914 -0.050 0.000 2.334 192 V HA 0.249 4.371 4.120 0.002 0.000 0.267 192 V C 0.641 176.679 176.094 -0.092 0.000 1.040 192 V CA -0.770 61.488 62.300 -0.070 0.000 0.866 192 V CB 0.502 32.283 31.823 -0.070 0.000 1.019 192 V HN 0.465 nan 8.190 nan 0.000 0.468 193 R N 2.874 123.309 120.500 -0.109 0.000 2.652 193 R HA 0.257 4.598 4.340 0.002 0.000 0.272 193 R C 0.589 176.762 176.300 -0.212 0.000 1.162 193 R CA -0.512 55.506 56.100 -0.136 0.000 1.199 193 R CB 0.608 30.833 30.300 -0.125 0.000 1.166 193 R HN 0.921 nan 8.270 nan 0.000 0.597 194 E N -1.018 119.029 120.200 -0.255 0.000 2.404 194 E HA 0.292 4.643 4.350 0.002 0.000 0.261 194 E C 0.519 176.726 176.600 -0.655 0.000 1.074 194 E CA 0.112 56.305 56.400 -0.344 0.000 0.917 194 E CB 0.256 29.797 29.700 -0.265 0.000 0.965 194 E HN 0.694 nan 8.360 nan 0.000 0.433 195 G N 0.939 109.401 108.800 -0.563 0.000 2.184 195 G HA2 -0.291 3.671 3.960 0.002 0.000 0.264 195 G HA3 -0.291 3.671 3.960 0.002 0.000 0.264 195 G C 0.365 175.036 174.900 -0.381 0.000 0.975 195 G CA 0.178 44.871 45.100 -0.679 0.000 0.642 195 G HN 0.455 nan 8.290 nan 0.000 0.536 199 G N 3.732 112.513 108.800 -0.031 0.000 2.594 199 G HA2 0.538 4.500 3.960 0.002 0.000 0.243 199 G HA3 0.538 4.500 3.960 0.002 0.000 0.243 199 G C 0.415 175.297 174.900 -0.030 0.000 1.229 199 G CA 0.011 45.098 45.100 -0.023 0.000 0.843 199 G HN 0.886 nan 8.290 nan 0.000 0.578 200 A N -0.220 122.587 122.820 -0.021 0.000 2.567 200 A HA 0.494 4.815 4.320 0.002 0.000 0.240 200 A C 1.727 179.292 177.584 -0.032 0.000 1.053 200 A CA 1.330 53.351 52.037 -0.026 0.000 0.755 200 A CB -0.423 18.563 19.000 -0.023 0.000 0.978 200 A HN 2.637 nan 8.150 nan 0.000 0.507 201 G N 0.752 109.529 108.800 -0.038 0.000 2.179 201 G HA2 0.125 4.086 3.960 0.002 0.000 0.260 201 G HA3 0.125 4.086 3.960 0.002 0.000 0.260 201 G C 0.604 175.483 174.900 -0.036 0.000 0.977 201 G CA 0.534 45.614 45.100 -0.034 0.000 0.641 201 G HN 2.275 nan 8.290 nan 0.000 0.533 202 A N -0.250 122.545 122.820 -0.042 0.000 2.450 202 A HA 0.668 4.989 4.320 0.002 0.000 0.255 202 A C 0.274 177.832 177.584 -0.043 0.000 1.096 202 A CA 0.514 52.528 52.037 -0.039 0.000 0.778 202 A CB 0.446 19.421 19.000 -0.042 0.000 1.031 202 A HN 0.286 nan 8.150 nan 0.000 0.494 203 K N 2.170 122.551 120.400 -0.032 0.000 2.367 203 K HA 0.553 4.874 4.320 0.002 0.000 0.263 203 K C -1.015 175.570 176.600 -0.024 0.000 1.000 203 K CA 0.164 56.434 56.287 -0.028 0.000 0.891 203 K CB 1.078 33.566 32.500 -0.020 0.000 1.117 203 K HN 0.602 nan 8.250 nan 0.000 0.443 204 I N 5.365 125.920 120.570 -0.025 0.000 2.330 204 I HA 0.359 4.530 4.170 0.002 0.000 0.289 204 I C -0.638 175.477 176.117 -0.004 0.000 1.001 204 I CA -0.760 60.529 61.300 -0.019 0.000 1.193 204 I CB 0.701 38.685 38.000 -0.027 0.000 1.345 204 I HN 0.263 nan 8.210 nan 0.000 0.461 205 L N 6.138 127.358 121.223 -0.005 0.000 2.385 205 L HA 0.885 5.226 4.340 0.002 0.000 0.273 205 L C 0.211 177.072 176.870 -0.015 0.000 0.990 205 L CA -0.645 54.194 54.840 -0.001 0.000 0.821 205 L CB 1.829 43.885 42.059 -0.006 0.000 1.279 205 L HN 0.854 nan 8.230 nan 0.000 0.412 206 G N 1.894 110.677 108.800 -0.028 0.000 2.629 206 G HA2 -0.218 3.744 3.960 0.002 0.000 0.686 206 G HA3 -0.218 3.744 3.960 0.002 0.000 0.686 206 G C -0.727 174.146 174.900 -0.045 0.000 1.232 206 G CA -0.927 44.139 45.100 -0.057 0.000 0.803 206 G HN 0.713 nan 8.290 nan 0.000 0.638 207 N N 0.471 119.133 118.700 -0.063 0.000 2.484 207 N HA 0.262 5.003 4.740 0.002 0.000 0.295 207 N C 0.486 175.983 175.510 -0.021 0.000 1.240 207 N CA 0.784 53.812 53.050 -0.036 0.000 1.085 207 N CB -0.964 37.497 38.487 -0.044 0.000 1.465 207 N HN 1.079 nan 8.380 nan 0.000 0.496 208 I N -1.610 118.952 120.570 -0.013 0.000 2.894 208 I HA 0.524 4.695 4.170 0.002 0.000 0.302 208 I C -0.619 175.490 176.117 -0.013 0.000 1.188 208 I CA -0.997 60.295 61.300 -0.013 0.000 1.014 208 I CB 2.140 40.131 38.000 -0.015 0.000 1.242 208 I HN -0.093 nan 8.210 nan 0.000 0.430 209 E N 3.926 124.117 120.200 -0.014 0.000 2.259 209 E HA 0.359 4.710 4.350 0.002 0.000 0.281 209 E C -0.925 175.659 176.600 -0.027 0.000 1.027 209 E CA -0.568 55.820 56.400 -0.020 0.000 0.838 209 E CB 2.577 32.267 29.700 -0.017 0.000 1.066 209 E HN 0.460 nan 8.360 nan 0.000 0.401 210 V N 2.850 122.741 119.914 -0.039 0.000 2.328 210 V HA 0.293 4.415 4.120 0.002 0.000 0.278 210 V C 0.822 176.874 176.094 -0.070 0.000 1.021 210 V CA -0.783 61.487 62.300 -0.049 0.000 0.838 210 V CB 1.216 33.006 31.823 -0.054 0.000 0.999 210 V HN 0.727 nan 8.190 nan 0.000 0.447 211 G N 4.183 112.943 108.800 -0.066 0.000 2.594 211 G HA2 0.306 4.267 3.960 0.002 0.000 0.243 211 G HA3 0.306 4.267 3.960 0.002 0.000 0.243 211 G C 0.101 174.905 174.900 -0.160 0.000 1.229 211 G CA -0.657 44.391 45.100 -0.087 0.000 0.843 211 G HN 0.915 nan 8.290 nan 0.000 0.578 212 K N -0.377 119.904 120.400 -0.200 0.000 2.485 212 K HA 0.054 4.375 4.320 0.002 0.000 0.277 212 K C -0.587 175.766 176.600 -0.413 0.000 0.990 212 K CA -0.087 55.999 56.287 -0.336 0.000 0.994 212 K CB 0.037 32.391 32.500 -0.244 0.000 0.906 212 K HN 0.623 nan 8.250 nan 0.000 0.488 213 Y N -1.396 118.717 120.300 -0.313 0.000 4.324 213 Y HA -0.326 4.225 4.550 0.002 0.000 0.224 213 Y C 0.467 176.248 175.900 -0.199 0.000 1.113 213 Y CA 0.489 58.421 58.100 -0.281 0.000 1.887 213 Y CB -2.216 36.013 38.460 -0.385 0.000 1.602 213 Y HN 0.796 nan 8.280 nan 0.000 0.654 214 A N 0.201 122.959 122.820 -0.103 0.000 2.371 214 A HA 0.601 4.923 4.320 0.002 0.000 0.257 214 A C 0.293 177.870 177.584 -0.012 0.000 1.089 214 A CA -0.495 51.520 52.037 -0.036 0.000 0.794 214 A CB 0.486 19.455 19.000 -0.052 0.000 1.029 214 A HN 0.191 nan 8.150 nan 0.000 0.488 215 K N 1.497 121.905 120.400 0.015 0.000 2.206 215 K HA 0.567 4.889 4.320 0.002 0.000 0.264 215 K C -0.734 175.865 176.600 -0.001 0.000 0.967 215 K CA -0.230 56.063 56.287 0.010 0.000 0.844 215 K CB 1.270 33.786 32.500 0.027 0.000 1.099 215 K HN 0.461 nan 8.250 nan 0.000 0.441 216 I N 2.219 122.781 120.570 -0.013 0.000 2.377 216 I HA 0.355 4.526 4.170 0.002 0.000 0.293 216 I C 0.923 177.031 176.117 -0.014 0.000 0.987 216 I CA -0.817 60.473 61.300 -0.016 0.000 1.185 216 I CB 1.176 39.160 38.000 -0.028 0.000 1.341 216 I HN 0.632 nan 8.210 nan 0.000 0.455 217 G N 4.070 112.864 108.800 -0.010 0.000 2.527 217 G HA2 0.448 4.410 3.960 0.002 0.000 0.248 217 G HA3 0.448 4.410 3.960 0.002 0.000 0.248 217 G C 0.165 175.056 174.900 -0.014 0.000 1.231 217 G CA -0.378 44.717 45.100 -0.009 0.000 0.838 217 G HN 0.833 nan 8.290 nan 0.000 0.570 218 A N 1.569 124.381 122.820 -0.013 0.000 2.565 218 A HA 0.271 4.592 4.320 0.002 0.000 0.237 218 A C 1.224 178.798 177.584 -0.018 0.000 1.053 218 A CA 0.441 52.468 52.037 -0.017 0.000 0.755 218 A CB -0.164 18.827 19.000 -0.016 0.000 0.980 218 A HN 1.098 nan 8.150 nan 0.000 0.506 219 N N 0.046 118.733 118.700 -0.021 0.000 2.681 219 N HA -0.150 4.592 4.740 0.002 0.000 0.250 219 N C -0.032 175.468 175.510 -0.017 0.000 1.133 219 N CA 1.437 54.475 53.050 -0.019 0.000 0.732 219 N CB -1.699 36.778 38.487 -0.017 0.000 1.107 219 N HN 0.614 nan 8.380 nan 0.000 0.559 220 S N -0.152 115.538 115.700 -0.018 0.000 2.564 220 S HA 0.325 4.796 4.470 0.002 0.000 0.278 220 S C 0.613 175.203 174.600 -0.017 0.000 1.333 220 S CA -0.425 57.766 58.200 -0.016 0.000 1.048 220 S CB 1.612 64.803 63.200 -0.015 0.000 0.900 220 S HN 0.087 nan 8.310 nan 0.000 0.505 221 V N 4.537 124.443 119.914 -0.014 0.000 2.311 221 V HA 0.261 4.383 4.120 0.002 0.000 0.275 221 V C -0.315 175.771 176.094 -0.013 0.000 1.022 221 V CA -0.576 61.716 62.300 -0.014 0.000 0.830 221 V CB 1.247 33.063 31.823 -0.012 0.000 1.012 221 V HN 0.651 nan 8.190 nan 0.000 0.452 222 V N 7.317 127.222 119.914 -0.015 0.000 2.348 222 V HA 0.317 4.438 4.120 0.002 0.000 0.270 222 V C 0.669 176.755 176.094 -0.013 0.000 1.037 222 V CA -0.000 62.291 62.300 -0.014 0.000 0.872 222 V CB 1.174 32.987 31.823 -0.017 0.000 1.002 222 V HN 0.759 nan 8.190 nan 0.000 0.464 223 L N 3.484 124.700 121.223 -0.012 0.000 2.575 223 L HA 0.333 4.675 4.340 0.002 0.000 0.228 223 L C 0.590 177.452 176.870 -0.012 0.000 1.075 223 L CA 0.303 55.135 54.840 -0.012 0.000 0.867 223 L CB 0.180 42.232 42.059 -0.011 0.000 1.097 223 L HN 0.586 nan 8.230 nan 0.000 0.485 224 N N -0.420 118.274 118.700 -0.010 0.000 2.404 224 N HA 0.395 5.136 4.740 0.002 0.000 0.297 224 N C -2.624 172.881 175.510 -0.009 0.000 1.163 224 N CA -1.551 51.494 53.050 -0.008 0.000 0.864 224 N CB 0.783 39.267 38.487 -0.005 0.000 1.247 224 N HN -0.250 nan 8.380 nan 0.000 0.510 225 P HA -0.030 nan 4.420 nan 0.000 0.264 225 P C -1.024 176.273 177.300 -0.005 0.000 1.179 225 P CA 0.126 63.221 63.100 -0.008 0.000 0.763 225 P CB 0.491 32.188 31.700 -0.005 0.000 0.806 226 V N 5.665 125.573 119.914 -0.009 0.000 2.417 226 V HA 0.347 4.468 4.120 0.002 0.000 0.291 226 V C -1.926 174.166 176.094 -0.003 0.000 1.024 226 V CA -1.963 60.334 62.300 -0.005 0.000 0.861 226 V CB 1.354 33.170 31.823 -0.013 0.000 0.985 226 V HN 0.553 nan 8.190 nan 0.000 0.436 227 P HA 0.194 nan 4.420 nan 0.000 0.274 227 P C -0.129 177.188 177.300 0.028 0.000 1.231 227 P CA -0.449 62.667 63.100 0.026 0.000 0.790 227 P CB 0.605 32.332 31.700 0.045 0.000 0.951 228 E N 0.613 120.832 120.200 0.032 0.000 2.653 228 E HA -0.160 4.191 4.350 0.002 0.000 0.264 228 E C -0.204 176.464 176.600 0.113 0.000 0.949 228 E CA 0.858 57.248 56.400 -0.017 0.000 0.953 228 E CB -0.464 29.284 29.700 0.080 0.000 0.925 228 E HN 0.427 nan 8.360 nan 0.000 0.475 229 Y N -2.003 118.355 120.300 0.096 0.000 4.899 229 Y HA -0.344 4.207 4.550 0.002 0.000 0.241 229 Y C 0.511 176.443 175.900 0.054 0.000 0.976 229 Y CA 0.440 58.593 58.100 0.087 0.000 1.952 229 Y CB -1.943 36.553 38.460 0.060 0.000 1.496 229 Y HN 0.584 nan 8.280 nan 0.000 0.545 230 A N 0.300 123.198 122.820 0.129 0.000 2.322 230 A HA 0.647 4.969 4.320 0.002 0.000 0.269 230 A C 0.577 178.197 177.584 0.059 0.000 1.094 230 A CA 0.336 52.426 52.037 0.088 0.000 0.807 230 A CB 0.429 19.464 19.000 0.059 0.000 1.047 230 A HN 0.194 nan 8.150 nan 0.000 0.487 231 T N 1.014 115.597 114.554 0.049 0.000 2.867 231 T HA 0.630 4.982 4.350 0.002 0.000 0.282 231 T C -0.074 174.638 174.700 0.020 0.000 1.000 231 T CA 0.348 62.467 62.100 0.032 0.000 1.042 231 T CB 1.370 70.257 68.868 0.032 0.000 0.973 231 T HN 1.158 nan 8.240 nan 0.000 0.465 232 A N 1.757 124.583 122.820 0.010 0.000 2.393 232 A HA 0.939 5.260 4.320 0.002 0.000 0.306 232 A C -0.795 176.789 177.584 0.000 0.000 1.050 232 A CA -0.773 51.266 52.037 0.004 0.000 0.724 232 A CB 1.383 20.383 19.000 -0.001 0.000 1.248 232 A HN 1.160 nan 8.150 nan 0.000 0.424 233 A N 0.745 123.565 122.820 -0.000 0.000 2.604 233 A HA 1.004 5.326 4.320 0.002 0.000 0.295 233 A C 0.104 177.686 177.584 -0.003 0.000 1.067 233 A CA 0.191 52.226 52.037 -0.002 0.000 0.683 233 A CB 0.927 19.927 19.000 0.000 0.000 1.281 233 A HN 2.930 nan 8.150 nan 0.000 0.407 234 G N -1.469 107.327 108.800 -0.005 0.000 2.612 234 G HA2 0.454 4.415 3.960 0.002 0.000 0.686 234 G HA3 0.454 4.415 3.960 0.002 0.000 0.686 234 G C -0.517 174.379 174.900 -0.007 0.000 1.274 234 G CA 0.211 45.307 45.100 -0.005 0.000 0.849 234 G HN 2.354 nan 8.290 nan 0.000 0.595 235 V N 1.517 121.427 119.914 -0.007 0.000 2.409 235 V HA 0.812 4.934 4.120 0.002 0.000 0.290 235 V C -1.398 174.692 176.094 -0.006 0.000 1.017 235 V CA -0.737 61.559 62.300 -0.007 0.000 0.841 235 V CB 1.164 32.982 31.823 -0.008 0.000 1.003 235 V HN 1.148 nan 8.190 nan 0.000 0.426 236 P HA 0.507 nan 4.420 nan 0.000 0.272 236 P C -0.105 177.191 177.300 -0.006 0.000 1.240 236 P CA -0.207 62.889 63.100 -0.006 0.000 0.791 236 P CB 0.906 32.603 31.700 -0.006 0.000 0.978 237 A N 2.026 124.842 122.820 -0.006 0.000 2.425 237 A HA 0.391 4.712 4.320 0.002 0.000 0.249 237 A C 0.369 177.952 177.584 -0.003 0.000 1.084 237 A CA -0.379 51.655 52.037 -0.005 0.000 0.781 237 A CB 0.041 19.037 19.000 -0.007 0.000 1.019 237 A HN 0.503 nan 8.150 nan 0.000 0.490 238 R N 1.623 122.122 120.500 -0.001 0.000 2.740 238 R HA 0.413 4.755 4.340 0.002 0.000 0.282 238 R C -1.022 175.281 176.300 0.005 0.000 0.969 238 R CA -1.009 55.093 56.100 0.002 0.000 0.918 238 R CB 1.365 31.666 30.300 0.002 0.000 1.175 238 R HN 0.562 nan 8.270 nan 0.000 0.464 239 I N 3.102 123.677 120.570 0.007 0.000 2.505 239 I HA 0.040 4.212 4.170 0.002 0.000 0.287 239 I C 1.029 177.154 176.117 0.013 0.000 1.104 239 I CA -0.060 61.248 61.300 0.012 0.000 1.387 239 I CB 0.201 38.210 38.000 0.016 0.000 1.404 239 I HN 0.288 nan 8.210 nan 0.000 0.528 240 V N 0.000 119.923 119.914 0.014 0.000 2.409 240 V HA 0.000 4.121 4.120 0.002 0.000 0.244 240 V CA 0.000 62.308 62.300 0.013 0.000 1.235 240 V CB 0.000 31.831 31.823 0.013 0.000 1.184 240 V HN 0.000 nan 8.190 nan 0.000 0.556