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 2ihw_1_C DATA FIRST_RESID 188 DATA SEQUENCE GKDRTEPVKG FHKAMVKTMS AALKIPHFGY CDEVDLTELV KLREELKPIA DATA SEQUENCE FARGIKLSFM PFFLKAASLG LLQFPILNAS VDENCQNITY KASHNIGIAM DATA SEQUENCE DTEQGLIVPN VKNVQIRSIF EIATELNRLQ KLGSAGQLST NDLIGGTFTL DATA SEQUENCE SNIGSIGGTY AKPVILPPEV AIGALGTIKA LPRFNEKGEV CKAQIMNVSW DATA SEQUENCE SADHRIIDGA TVSRFSNLWK SYLENPAFML LDLK 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 188 G HA2 0.000 nan 3.960 nan 0.000 0.244 188 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 188 G C 0.000 174.897 174.900 -0.005 0.000 0.946 188 G CA 0.000 45.098 45.100 -0.004 0.000 0.502 189 K N 1.322 121.719 120.400 -0.005 0.000 2.259 189 K HA 0.482 4.801 4.320 -0.000 0.000 0.249 189 K C -1.152 175.443 176.600 -0.007 0.000 0.942 189 K CA -0.588 55.696 56.287 -0.006 0.000 0.816 189 K CB 1.963 34.460 32.500 -0.005 0.000 1.155 189 K HN -0.015 nan 8.250 nan 0.000 0.428 190 D N 1.465 121.860 120.400 -0.008 0.000 2.362 190 D HA 0.152 4.791 4.640 -0.000 0.000 0.242 190 D C 0.086 176.380 176.300 -0.011 0.000 1.132 190 D CA 0.316 54.310 54.000 -0.010 0.000 0.907 190 D CB 0.754 41.547 40.800 -0.011 0.000 1.195 190 D HN 0.253 nan 8.370 nan 0.000 0.429 191 R N 0.110 120.601 120.500 -0.014 0.000 2.533 191 R HA 0.386 4.725 4.340 -0.000 0.000 0.288 191 R C -1.444 174.845 176.300 -0.019 0.000 1.039 191 R CA -0.535 55.556 56.100 -0.015 0.000 0.909 191 R CB 1.208 31.500 30.300 -0.014 0.000 1.195 191 R HN 0.293 nan 8.270 nan 0.000 0.438 192 T N 3.452 117.995 114.554 -0.019 0.000 2.758 192 T HA 0.329 4.679 4.350 -0.000 0.000 0.285 192 T C -0.805 173.880 174.700 -0.025 0.000 0.981 192 T CA -0.456 61.630 62.100 -0.023 0.000 0.965 192 T CB 1.291 70.147 68.868 -0.020 0.000 0.927 192 T HN 0.529 nan 8.240 nan 0.000 0.448 193 E N 2.810 122.989 120.200 -0.035 0.000 2.312 193 E HA 0.503 4.853 4.350 -0.000 0.000 0.267 193 E C -2.117 174.454 176.600 -0.049 0.000 0.894 193 E CA -1.938 54.439 56.400 -0.039 0.000 0.773 193 E CB 1.369 31.042 29.700 -0.046 0.000 1.241 193 E HN 0.430 nan 8.360 nan 0.000 0.432 194 P HA 0.145 nan 4.420 nan 0.000 0.277 194 P C -0.665 176.589 177.300 -0.077 0.000 1.240 194 P CA -0.453 62.618 63.100 -0.048 0.000 0.798 194 P CB 0.713 32.395 31.700 -0.030 0.000 0.979 195 V N 2.656 122.521 119.914 -0.082 0.000 2.439 195 V HA 0.154 4.274 4.120 -0.000 0.000 0.271 195 V C 0.796 176.844 176.094 -0.078 0.000 1.040 195 V CA 0.365 62.599 62.300 -0.110 0.000 1.002 195 V CB -0.423 31.351 31.823 -0.082 0.000 1.000 195 V HN 0.544 nan 8.190 nan 0.000 0.477 196 K N 2.828 123.173 120.400 -0.092 0.000 2.385 196 K HA 0.666 4.986 4.320 -0.000 0.000 0.248 196 K C 0.928 177.469 176.600 -0.097 0.000 0.955 196 K CA 0.062 56.318 56.287 -0.053 0.000 0.816 196 K CB 2.084 34.579 32.500 -0.008 0.000 1.250 196 K HN 0.744 nan 8.250 nan 0.000 0.434 197 G N 2.484 111.272 108.800 -0.019 0.000 2.686 197 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.329 197 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.329 197 G C 0.688 175.593 174.900 0.009 0.000 1.187 197 G CA 1.136 46.266 45.100 0.049 0.000 0.965 197 G HN 0.785 nan 8.290 nan 0.000 0.549 198 F N 0.493 120.401 119.950 -0.070 0.000 2.771 198 F HA 0.421 4.947 4.527 -0.000 0.000 0.299 198 F C 1.862 177.502 175.800 -0.267 0.000 1.177 198 F CA 1.527 59.426 58.000 -0.169 0.000 1.450 198 F CB -0.472 38.391 39.000 -0.228 0.000 1.114 198 F HN 0.422 nan 8.300 nan 0.000 0.587 199 H N -0.382 118.405 119.070 -0.472 0.000 2.604 199 H HA 0.206 4.762 4.556 -0.000 0.000 0.273 199 H C 1.856 177.089 175.328 -0.158 0.000 0.971 199 H CA 0.177 56.022 56.048 -0.340 0.000 1.249 199 H CB 0.096 29.582 29.762 -0.461 0.000 1.449 199 H HN 0.134 nan 8.280 nan 0.000 0.512 200 K N 0.757 121.141 120.400 -0.027 0.000 2.152 200 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 200 K C 2.177 178.777 176.600 0.000 0.000 1.048 200 K CA 1.007 57.288 56.287 -0.010 0.000 0.933 200 K CB -0.025 32.470 32.500 -0.009 0.000 0.721 200 K HN 0.261 nan 8.250 nan 0.000 0.447 201 A N 1.209 124.031 122.820 0.003 0.000 1.898 201 A HA -0.164 4.155 4.320 -0.000 0.000 0.216 201 A C 2.068 179.661 177.584 0.015 0.000 1.181 201 A CA 1.315 53.359 52.037 0.012 0.000 0.620 201 A CB -0.384 18.629 19.000 0.020 0.000 0.819 201 A HN 0.289 nan 8.150 nan 0.000 0.442 202 M N -0.149 119.462 119.600 0.019 0.000 2.213 202 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 202 M C 1.825 178.134 176.300 0.015 0.000 1.062 202 M CA 1.582 56.895 55.300 0.023 0.000 1.105 202 M CB -0.210 32.413 32.600 0.038 0.000 1.385 202 M HN 0.227 nan 8.290 nan 0.000 0.417 203 V N 0.602 120.522 119.914 0.010 0.000 2.295 203 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 203 V C 2.153 178.250 176.094 0.004 0.000 1.049 203 V CA 2.077 64.379 62.300 0.002 0.000 1.024 203 V CB -0.815 31.005 31.823 -0.005 0.000 0.648 203 V HN 0.478 nan 8.190 nan 0.000 0.447 204 K N -0.267 120.137 120.400 0.006 0.000 2.057 204 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 204 K C 2.303 178.910 176.600 0.011 0.000 1.050 204 K CA 1.850 58.142 56.287 0.008 0.000 0.935 204 K CB -0.470 32.035 32.500 0.008 0.000 0.715 204 K HN 0.463 nan 8.250 nan 0.000 0.439 205 T N 1.117 115.679 114.554 0.013 0.000 2.643 205 T HA -0.132 4.218 4.350 -0.000 0.000 0.264 205 T C 1.752 176.463 174.700 0.019 0.000 1.045 205 T CA 1.259 63.369 62.100 0.017 0.000 1.155 205 T CB -0.062 68.817 68.868 0.018 0.000 0.863 205 T HN 0.077 nan 8.240 nan 0.000 0.420 206 M N 1.385 120.994 119.600 0.015 0.000 2.213 206 M HA 0.034 4.513 4.480 -0.000 0.000 0.263 206 M C 2.536 178.843 176.300 0.012 0.000 1.062 206 M CA 1.121 56.429 55.300 0.013 0.000 1.105 206 M CB -1.452 31.150 32.600 0.003 0.000 1.385 206 M HN 0.127 nan 8.290 nan 0.000 0.417 207 S N 0.743 116.449 115.700 0.010 0.000 2.402 207 S HA 0.024 4.494 4.470 -0.000 0.000 0.229 207 S C 1.939 176.550 174.600 0.018 0.000 1.021 207 S CA 1.054 59.260 58.200 0.010 0.000 0.974 207 S CB -0.226 62.977 63.200 0.005 0.000 0.800 207 S HN 0.567 nan 8.310 nan 0.000 0.484 208 A N 0.843 123.675 122.820 0.020 0.000 2.167 208 A HA 0.411 4.731 4.320 -0.000 0.000 0.214 208 A C 2.030 179.637 177.584 0.038 0.000 1.151 208 A CA 1.015 53.066 52.037 0.024 0.000 0.735 208 A CB -0.478 18.532 19.000 0.018 0.000 0.802 208 A HN 0.458 nan 8.150 nan 0.000 0.467 209 A N -0.499 122.353 122.820 0.053 0.000 2.169 209 A HA 0.259 4.579 4.320 -0.000 0.000 0.212 209 A C 1.787 179.449 177.584 0.130 0.000 1.153 209 A CA 0.504 52.604 52.037 0.105 0.000 0.756 209 A CB -0.415 18.661 19.000 0.126 0.000 0.813 209 A HN 0.452 nan 8.150 nan 0.000 0.471 210 L N -0.665 120.600 121.223 0.070 0.000 2.291 210 L HA -0.094 4.246 4.340 -0.000 0.000 0.214 210 L C 1.859 178.770 176.870 0.069 0.000 1.120 210 L CA 0.950 55.827 54.840 0.060 0.000 0.799 210 L CB -0.239 41.836 42.059 0.027 0.000 0.925 210 L HN 0.301 nan 8.230 nan 0.000 0.446 211 K N 0.392 120.826 120.400 0.057 0.000 2.555 211 K HA 0.108 4.427 4.320 -0.000 0.000 0.193 211 K C 0.260 176.891 176.600 0.051 0.000 1.032 211 K CA 0.478 56.791 56.287 0.043 0.000 1.004 211 K CB 0.029 32.544 32.500 0.025 0.000 0.804 211 K HN 0.284 nan 8.250 nan 0.000 0.496 212 I N 2.614 123.235 120.570 0.086 0.000 2.339 212 I HA 0.169 4.339 4.170 -0.000 0.000 0.290 212 I C -2.456 173.744 176.117 0.139 0.000 0.994 212 I CA -2.834 58.495 61.300 0.049 0.000 1.191 212 I CB 1.406 39.361 38.000 -0.075 0.000 1.343 212 I HN -0.276 nan 8.210 nan 0.000 0.458 213 P HA 0.128 nan 4.420 nan 0.000 0.275 213 P C -1.052 176.358 177.300 0.183 0.000 1.276 213 P CA -0.053 63.138 63.100 0.151 0.000 0.782 213 P CB 0.032 31.792 31.700 0.099 0.000 0.851 214 H N 2.553 121.692 119.070 0.115 0.000 2.562 214 H HA 0.356 4.911 4.556 -0.001 0.000 0.314 214 H C -0.487 174.966 175.328 0.209 0.000 1.079 214 H CA -0.081 56.040 56.048 0.122 0.000 1.349 214 H CB 0.098 29.895 29.762 0.058 0.000 1.432 214 H HN 0.293 nan 8.280 nan 0.000 0.479 215 F N 2.635 122.665 119.950 0.133 0.000 2.408 215 F HA 0.544 5.071 4.527 -0.001 0.000 0.344 215 F C 0.388 176.255 175.800 0.113 0.000 1.112 215 F CA -0.930 57.138 58.000 0.113 0.000 1.096 215 F CB 1.109 40.095 39.000 -0.023 0.000 1.129 215 F HN 0.531 nan 8.300 nan 0.000 0.486 216 G N 5.379 113.800 108.800 -0.632 0.000 2.368 216 G HA2 0.429 4.388 3.960 -0.000 0.000 0.320 216 G HA3 0.429 4.388 3.960 -0.000 0.000 0.320 216 G C -2.394 172.080 174.900 -0.711 0.000 1.158 216 G CA -0.470 44.331 45.100 -0.498 0.000 0.912 216 G HN 0.746 nan 8.290 nan 0.000 0.456 217 Y N 1.662 121.672 120.300 -0.482 0.000 2.406 217 Y HA 0.581 5.131 4.550 -0.001 0.000 0.340 217 Y C -0.501 175.394 175.900 -0.008 0.000 0.975 217 Y CA -1.060 56.885 58.100 -0.258 0.000 1.056 217 Y CB 1.564 39.940 38.460 -0.141 0.000 1.210 217 Y HN 0.656 nan 8.280 nan 0.000 0.448 218 C N 4.529 123.477 119.300 -0.586 0.000 2.889 218 C HA 0.748 5.207 4.460 -0.000 0.000 0.307 218 C C -0.972 173.777 174.990 -0.403 0.000 1.251 218 C CA -0.565 58.244 59.018 -0.347 0.000 1.593 218 C CB 1.837 29.398 27.740 -0.298 0.000 2.104 218 C HN 0.909 nan 8.230 nan 0.000 0.476 219 D N -0.339 120.046 120.400 -0.024 0.000 2.643 219 D HA 0.444 5.083 4.640 -0.000 0.000 0.283 219 D C -1.553 174.840 176.300 0.155 0.000 1.242 219 D CA -0.286 53.744 54.000 0.050 0.000 0.863 219 D CB 1.850 42.719 40.800 0.115 0.000 1.382 219 D HN 0.810 nan 8.370 nan 0.000 0.444 220 E N 0.261 120.530 120.200 0.114 0.000 2.238 220 E HA 0.615 4.965 4.350 -0.000 0.000 0.267 220 E C -1.402 175.236 176.600 0.064 0.000 0.887 220 E CA -0.791 55.642 56.400 0.056 0.000 0.769 220 E CB 1.858 31.581 29.700 0.039 0.000 1.187 220 E HN 0.093 nan 8.360 nan 0.000 0.416 221 V N 2.301 122.234 119.914 0.031 0.000 2.555 221 V HA 0.234 4.354 4.120 -0.000 0.000 0.302 221 V C -0.558 175.523 176.094 -0.021 0.000 1.038 221 V CA -0.954 61.360 62.300 0.024 0.000 0.887 221 V CB 1.689 33.522 31.823 0.017 0.000 0.991 221 V HN 0.800 nan 8.190 nan 0.000 0.434 222 D N 3.409 123.795 120.400 -0.022 0.000 2.380 222 D HA 0.305 4.945 4.640 -0.000 0.000 0.230 222 D C 0.367 176.635 176.300 -0.055 0.000 1.154 222 D CA 0.018 53.996 54.000 -0.037 0.000 0.859 222 D CB 1.162 41.947 40.800 -0.025 0.000 1.045 222 D HN 0.489 nan 8.370 nan 0.000 0.495 223 L N 3.220 124.402 121.223 -0.067 0.000 2.700 223 L HA 0.058 4.398 4.340 -0.000 0.000 0.234 223 L C 1.824 178.657 176.870 -0.062 0.000 1.156 223 L CA -0.028 54.768 54.840 -0.074 0.000 0.946 223 L CB 0.088 42.083 42.059 -0.107 0.000 1.216 223 L HN 0.347 nan 8.230 nan 0.000 0.493 224 T N -0.710 113.812 114.554 -0.054 0.000 2.684 224 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 224 T C 1.742 176.418 174.700 -0.041 0.000 1.036 224 T CA 1.262 63.337 62.100 -0.041 0.000 1.148 224 T CB 0.012 68.858 68.868 -0.036 0.000 0.863 224 T HN 0.283 nan 8.240 nan 0.000 0.436 225 E N 0.644 120.810 120.200 -0.056 0.000 2.150 225 E HA 0.018 4.368 4.350 -0.000 0.000 0.193 225 E C 2.233 178.786 176.600 -0.079 0.000 0.985 225 E CA 0.483 56.843 56.400 -0.066 0.000 0.814 225 E CB -0.277 29.373 29.700 -0.084 0.000 0.752 225 E HN 0.419 nan 8.360 nan 0.000 0.466 226 L N 0.460 121.633 121.223 -0.084 0.000 2.072 226 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 226 L C 2.388 179.237 176.870 -0.035 0.000 1.079 226 L CA 0.662 55.425 54.840 -0.128 0.000 0.752 226 L CB -0.133 41.859 42.059 -0.111 0.000 0.906 226 L HN -0.002 nan 8.230 nan 0.000 0.436 227 V N 0.247 120.212 119.914 0.086 0.000 2.287 227 V HA -0.366 3.754 4.120 -0.000 0.000 0.248 227 V C 2.536 178.649 176.094 0.031 0.000 1.053 227 V CA 2.155 64.552 62.300 0.162 0.000 1.027 227 V CB -0.629 31.263 31.823 0.116 0.000 0.646 227 V HN 0.474 nan 8.190 nan 0.000 0.447 228 K N -0.229 120.166 120.400 -0.008 0.000 1.991 228 K HA -0.234 4.085 4.320 -0.000 0.000 0.212 228 K C 2.252 178.824 176.600 -0.047 0.000 1.049 228 K CA 2.023 58.295 56.287 -0.025 0.000 0.932 228 K CB -0.423 32.061 32.500 -0.028 0.000 0.717 228 K HN 0.286 nan 8.250 nan 0.000 0.441 229 L N 2.133 123.312 121.223 -0.073 0.000 2.010 229 L HA -0.257 4.082 4.340 -0.000 0.000 0.219 229 L C 2.471 179.279 176.870 -0.104 0.000 1.077 229 L CA 1.981 56.766 54.840 -0.091 0.000 0.773 229 L CB -0.804 41.169 42.059 -0.142 0.000 0.892 229 L HN 0.247 nan 8.230 nan 0.000 0.436 230 R N -0.857 119.534 120.500 -0.182 0.000 2.091 230 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 230 R C 2.145 178.386 176.300 -0.097 0.000 1.136 230 R CA 1.558 57.544 56.100 -0.190 0.000 0.959 230 R CB -0.199 29.855 30.300 -0.410 0.000 0.856 230 R HN 0.474 nan 8.270 nan 0.000 0.437 231 E N 0.772 120.930 120.200 -0.071 0.000 2.097 231 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 231 E C 1.834 178.416 176.600 -0.029 0.000 1.000 231 E CA 1.641 58.016 56.400 -0.043 0.000 0.804 231 E CB -0.141 29.543 29.700 -0.027 0.000 0.740 231 E HN 0.564 nan 8.360 nan 0.000 0.454 232 E N 0.246 120.432 120.200 -0.023 0.000 2.106 232 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 232 E C 2.230 178.834 176.600 0.006 0.000 0.984 232 E CA 0.627 57.021 56.400 -0.009 0.000 0.806 232 E CB -0.075 29.620 29.700 -0.007 0.000 0.750 232 E HN 0.208 nan 8.360 nan 0.000 0.458 233 L N 0.769 122.004 121.223 0.020 0.000 2.341 233 L HA -0.048 4.292 4.340 -0.000 0.000 0.214 233 L C 2.228 179.128 176.870 0.049 0.000 1.115 233 L CA 0.377 55.245 54.840 0.047 0.000 0.820 233 L CB -0.140 41.977 42.059 0.098 0.000 0.944 233 L HN -0.007 nan 8.230 nan 0.000 0.452 234 K N 0.754 121.170 120.400 0.027 0.000 2.059 234 K HA -0.171 4.149 4.320 -0.000 0.000 0.212 234 K C -0.705 175.938 176.600 0.072 0.000 1.050 234 K CA 1.528 57.835 56.287 0.034 0.000 0.927 234 K CB -1.336 31.158 32.500 -0.009 0.000 0.714 234 K HN 0.309 nan 8.250 nan 0.000 0.447 235 P HA 0.010 nan 4.420 nan 0.000 0.253 235 P C 0.713 178.080 177.300 0.111 0.000 1.281 235 P CA 0.704 63.845 63.100 0.068 0.000 0.792 235 P CB 0.063 31.763 31.700 -0.000 0.000 1.193 236 I N -1.295 119.329 120.570 0.091 0.000 4.032 236 I HA 0.149 4.319 4.170 -0.000 0.000 0.313 236 I C 2.139 178.296 176.117 0.066 0.000 1.272 236 I CA 0.213 61.545 61.300 0.053 0.000 1.307 236 I CB -1.343 36.662 38.000 0.007 0.000 1.155 236 I HN -0.098 nan 8.210 nan 0.000 0.431 237 A N 0.843 123.736 122.820 0.123 0.000 1.903 237 A HA -0.147 4.173 4.320 -0.000 0.000 0.213 237 A C 2.196 179.883 177.584 0.173 0.000 1.185 237 A CA 0.721 52.862 52.037 0.174 0.000 0.628 237 A CB -0.930 18.176 19.000 0.177 0.000 0.830 237 A HN 0.328 nan 8.150 nan 0.000 0.446 238 F N 1.401 121.375 119.950 0.039 0.000 2.161 238 F HA -0.117 4.410 4.527 -0.000 0.000 0.300 238 F C 2.172 177.988 175.800 0.026 0.000 1.089 238 F CA 1.499 59.516 58.000 0.027 0.000 1.282 238 F CB -0.117 38.890 39.000 0.011 0.000 1.010 238 F HN 0.212 nan 8.300 nan 0.000 0.485 239 A N 0.212 123.115 122.820 0.139 0.000 2.209 239 A HA 0.016 4.336 4.320 -0.000 0.000 0.212 239 A C 1.981 179.526 177.584 -0.066 0.000 1.158 239 A CA 0.731 52.770 52.037 0.003 0.000 0.742 239 A CB -0.536 18.529 19.000 0.108 0.000 0.790 239 A HN 0.519 nan 8.150 nan 0.000 0.472 240 R N -1.816 118.668 120.500 -0.026 0.000 2.509 240 R HA 0.272 4.611 4.340 -0.000 0.000 0.300 240 R C 1.074 177.402 176.300 0.047 0.000 0.985 240 R CA 0.508 56.620 56.100 0.019 0.000 1.092 240 R CB 0.373 30.701 30.300 0.047 0.000 1.237 240 R HN 0.578 nan 8.270 nan 0.000 0.546 241 G N 1.054 109.812 108.800 -0.070 0.000 2.175 241 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.244 241 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.244 241 G C 0.051 174.924 174.900 -0.044 0.000 0.982 241 G CA -0.346 44.697 45.100 -0.096 0.000 0.641 241 G HN 0.135 nan 8.290 nan 0.000 0.527 242 I N 1.250 121.837 120.570 0.029 0.000 2.321 242 I HA 0.361 4.531 4.170 -0.000 0.000 0.291 242 I C 0.684 176.828 176.117 0.045 0.000 0.998 242 I CA -1.231 60.084 61.300 0.026 0.000 1.227 242 I CB 1.216 39.250 38.000 0.057 0.000 1.368 242 I HN 0.026 nan 8.210 nan 0.000 0.466 243 K N 4.732 125.143 120.400 0.020 0.000 2.412 243 K HA 0.237 4.557 4.320 -0.000 0.000 0.281 243 K C -0.617 175.985 176.600 0.004 0.000 1.027 243 K CA -0.071 56.234 56.287 0.031 0.000 0.989 243 K CB 0.656 33.167 32.500 0.019 0.000 0.935 243 K HN 0.358 nan 8.250 nan 0.000 0.475 244 L N 3.355 124.581 121.223 0.004 0.000 2.319 244 L HA 0.298 4.638 4.340 -0.000 0.000 0.281 244 L C -0.234 176.581 176.870 -0.092 0.000 1.005 244 L CA 0.105 54.928 54.840 -0.029 0.000 0.828 244 L CB 1.363 43.429 42.059 0.012 0.000 1.227 244 L HN 0.804 nan 8.230 nan 0.000 0.415 245 S N 3.188 118.825 115.700 -0.104 0.000 2.561 245 S HA 0.452 4.921 4.470 -0.000 0.000 0.282 245 S C 0.828 175.245 174.600 -0.305 0.000 1.123 245 S CA -0.380 57.708 58.200 -0.187 0.000 1.011 245 S CB 0.153 63.343 63.200 -0.017 0.000 1.244 245 S HN 0.440 nan 8.310 nan 0.000 0.503 246 F N 0.237 120.128 119.950 -0.097 0.000 2.569 246 F HA 0.209 4.736 4.527 -0.000 0.000 0.295 246 F C 2.501 177.990 175.800 -0.519 0.000 1.115 246 F CA 0.157 57.947 58.000 -0.349 0.000 1.450 246 F CB -0.432 38.149 39.000 -0.698 0.000 1.107 246 F HN 0.225 nan 8.300 nan 0.000 0.563 247 M N 0.423 119.963 119.600 -0.100 0.000 2.106 247 M HA -0.153 4.327 4.480 -0.000 0.000 0.259 247 M C -0.540 175.806 176.300 0.077 0.000 1.068 247 M CA 1.971 57.305 55.300 0.058 0.000 1.100 247 M CB -2.301 30.394 32.600 0.158 0.000 1.351 247 M HN -0.030 nan 8.290 nan 0.000 0.404 248 P HA -0.117 nan 4.420 nan 0.000 0.218 248 P C 1.456 178.661 177.300 -0.158 0.000 1.149 248 P CA 1.266 64.284 63.100 -0.136 0.000 0.817 248 P CB -0.306 31.208 31.700 -0.311 0.000 0.785 249 F N -1.783 118.147 119.950 -0.034 0.000 2.113 249 F HA -0.136 4.391 4.527 -0.000 0.000 0.297 249 F C 2.171 178.111 175.800 0.233 0.000 1.103 249 F CA 1.111 59.129 58.000 0.029 0.000 1.248 249 F CB -1.445 37.529 39.000 -0.044 0.000 0.999 249 F HN -0.180 nan 8.300 nan 0.000 0.475 250 F N -0.052 120.142 119.950 0.406 0.000 2.091 250 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 250 F C 2.253 178.355 175.800 0.504 0.000 1.103 250 F CA 0.764 59.056 58.000 0.487 0.000 1.228 250 F CB -1.510 37.813 39.000 0.538 0.000 0.984 250 F HN -0.090 nan 8.300 nan 0.000 0.477 251 L N -0.043 121.493 121.223 0.522 0.000 2.017 251 L HA -0.192 4.147 4.340 -0.000 0.000 0.208 251 L C 2.393 179.450 176.870 0.311 0.000 1.073 251 L CA 1.663 56.737 54.840 0.390 0.000 0.745 251 L CB -1.607 40.603 42.059 0.251 0.000 0.894 251 L HN 0.086 nan 8.230 nan 0.000 0.432 252 K N 0.039 120.564 120.400 0.209 0.000 2.025 252 K HA -0.037 4.283 4.320 -0.000 0.000 0.207 252 K C 2.091 178.765 176.600 0.123 0.000 1.049 252 K CA 1.436 57.792 56.287 0.116 0.000 0.933 252 K CB -0.395 32.112 32.500 0.012 0.000 0.714 252 K HN 0.202 nan 8.250 nan 0.000 0.438 253 A N 0.559 123.490 122.820 0.186 0.000 1.902 253 A HA -0.096 4.223 4.320 -0.000 0.000 0.217 253 A C 2.364 180.245 177.584 0.495 0.000 1.181 253 A CA 2.160 54.307 52.037 0.183 0.000 0.623 253 A CB -1.136 17.884 19.000 0.032 0.000 0.818 253 A HN 0.390 nan 8.150 nan 0.000 0.443 254 A N -0.653 122.627 122.820 0.767 0.000 1.908 254 A HA -0.166 4.153 4.320 -0.000 0.000 0.218 254 A C 2.512 180.275 177.584 0.300 0.000 1.181 254 A CA 2.411 54.822 52.037 0.623 0.000 0.627 254 A CB -0.992 18.363 19.000 0.592 0.000 0.818 254 A HN 0.655 nan 8.150 nan 0.000 0.445 255 S N -0.602 115.244 115.700 0.242 0.000 2.368 255 S HA -0.079 4.391 4.470 -0.000 0.000 0.224 255 S C 1.959 176.701 174.600 0.237 0.000 1.029 255 S CA 1.319 59.657 58.200 0.230 0.000 0.988 255 S CB -0.513 62.873 63.200 0.310 0.000 0.838 255 S HN 0.484 nan 8.310 nan 0.000 0.462 256 L N 1.022 122.338 121.223 0.155 0.000 2.012 256 L HA -0.023 4.317 4.340 -0.000 0.000 0.210 256 L C 2.921 179.961 176.870 0.282 0.000 1.073 256 L CA 1.292 56.203 54.840 0.119 0.000 0.748 256 L CB -1.300 40.621 42.059 -0.229 0.000 0.891 256 L HN 0.498 nan 8.230 nan 0.000 0.431 257 G N 0.232 109.244 108.800 0.353 0.000 2.513 257 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 257 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 257 G C 1.470 176.693 174.900 0.538 0.000 1.160 257 G CA 0.735 46.084 45.100 0.415 0.000 0.767 257 G HN 0.141 nan 8.290 nan 0.000 0.571 258 L N 0.254 121.672 121.223 0.326 0.000 2.201 258 L HA 0.176 4.516 4.340 -0.000 0.000 0.212 258 L C 2.845 179.771 176.870 0.094 0.000 1.105 258 L CA 0.762 55.612 54.840 0.017 0.000 0.775 258 L CB -0.821 40.902 42.059 -0.561 0.000 0.913 258 L HN 0.203 nan 8.230 nan 0.000 0.440 259 L N -1.304 120.048 121.223 0.215 0.000 2.083 259 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 259 L C 2.554 179.448 176.870 0.041 0.000 1.083 259 L CA 0.921 55.869 54.840 0.180 0.000 0.752 259 L CB -0.347 41.809 42.059 0.163 0.000 0.899 259 L HN 0.314 nan 8.230 nan 0.000 0.433 260 Q N -0.744 119.056 119.800 -0.001 0.000 2.163 260 Q HA 0.019 4.359 4.340 -0.000 0.000 0.198 260 Q C 0.367 176.001 176.000 -0.610 0.000 0.954 260 Q CA 1.071 56.691 55.803 -0.306 0.000 0.851 260 Q CB 0.228 28.758 28.738 -0.347 0.000 0.928 260 Q HN 0.391 nan 8.270 nan 0.000 0.459 261 F N 1.301 121.307 119.950 0.093 0.000 2.532 261 F HA 0.274 4.801 4.527 -0.000 0.000 0.313 261 F C -1.522 174.275 175.800 -0.006 0.000 1.301 261 F CA -2.067 55.958 58.000 0.041 0.000 1.154 261 F CB 0.963 39.991 39.000 0.046 0.000 1.335 261 F HN -0.022 nan 8.300 nan 0.000 0.542 262 P HA -0.199 nan 4.420 nan 0.000 0.221 262 P C 1.921 179.348 177.300 0.211 0.000 1.145 262 P CA 1.257 64.445 63.100 0.146 0.000 0.795 262 P CB 0.559 32.347 31.700 0.146 0.000 0.775 263 I N -0.816 119.900 120.570 0.244 0.000 2.700 263 I HA -0.146 4.024 4.170 -0.000 0.000 0.261 263 I C 1.841 177.942 176.117 -0.025 0.000 1.219 263 I CA 0.782 62.176 61.300 0.157 0.000 1.463 263 I CB -0.084 38.030 38.000 0.191 0.000 1.092 263 I HN -0.123 nan 8.210 nan 0.000 0.452 264 L N -0.090 121.091 121.223 -0.070 0.000 2.492 264 L HA -0.012 4.328 4.340 -0.000 0.000 0.223 264 L C 0.759 177.588 176.870 -0.068 0.000 1.132 264 L CA 0.362 55.107 54.840 -0.159 0.000 0.850 264 L CB -0.344 41.458 42.059 -0.429 0.000 0.966 264 L HN 0.169 nan 8.230 nan 0.000 0.454 265 N N 0.787 119.441 118.700 -0.078 0.000 2.761 265 N HA 0.421 5.160 4.740 -0.000 0.000 0.317 265 N C -0.641 174.878 175.510 0.015 0.000 1.546 265 N CA -0.067 52.968 53.050 -0.024 0.000 1.015 265 N CB 0.498 38.915 38.487 -0.118 0.000 1.343 265 N HN 0.155 nan 8.380 nan 0.000 0.504 266 A N -0.677 122.125 122.820 -0.031 0.000 2.532 266 A HA 0.841 5.160 4.320 -0.000 0.000 0.290 266 A C -0.677 176.848 177.584 -0.100 0.000 1.143 266 A CA -0.578 51.392 52.037 -0.112 0.000 0.728 266 A CB 1.514 20.327 19.000 -0.312 0.000 1.317 266 A HN 0.199 nan 8.150 nan 0.000 0.414 267 S N -1.387 114.240 115.700 -0.120 0.000 2.634 267 S HA 0.790 5.260 4.470 -0.000 0.000 0.296 267 S C -1.346 173.193 174.600 -0.102 0.000 1.104 267 S CA -0.460 57.690 58.200 -0.083 0.000 0.920 267 S CB 1.852 65.027 63.200 -0.041 0.000 1.111 267 S HN 1.195 nan 8.310 nan 0.000 0.493 268 V N 2.194 122.065 119.914 -0.071 0.000 2.925 268 V HA 0.448 4.568 4.120 -0.000 0.000 0.311 268 V C -1.179 174.891 176.094 -0.040 0.000 1.104 268 V CA -0.849 61.411 62.300 -0.066 0.000 0.954 268 V CB 2.231 34.011 31.823 -0.072 0.000 1.022 268 V HN 1.072 nan 8.190 nan 0.000 0.427 269 D N 2.748 123.130 120.400 -0.031 0.000 2.440 269 D HA 0.152 4.792 4.640 -0.000 0.000 0.269 269 D C 1.004 177.296 176.300 -0.013 0.000 1.249 269 D CA -0.018 53.971 54.000 -0.018 0.000 1.055 269 D CB 0.397 41.190 40.800 -0.012 0.000 1.104 269 D HN 0.590 nan 8.370 nan 0.000 0.561 270 E N -0.815 119.381 120.200 -0.008 0.000 2.108 270 E HA -0.283 4.067 4.350 -0.000 0.000 0.203 270 E C 0.738 177.336 176.600 -0.004 0.000 1.022 270 E CA 1.679 58.076 56.400 -0.004 0.000 0.823 270 E CB -0.264 29.435 29.700 -0.002 0.000 0.744 270 E HN 0.479 nan 8.360 nan 0.000 0.456 271 N N -1.493 117.203 118.700 -0.006 0.000 2.299 271 N HA 0.112 4.852 4.740 -0.000 0.000 0.246 271 N C -1.483 174.022 175.510 -0.009 0.000 1.254 271 N CA -0.172 52.874 53.050 -0.006 0.000 0.879 271 N CB 0.830 39.315 38.487 -0.003 0.000 1.214 271 N HN 0.090 nan 8.380 nan 0.000 0.510 272 C N 1.499 120.791 119.300 -0.013 0.000 3.756 272 C HA -0.123 4.337 4.460 -0.000 0.000 0.306 272 C C 0.857 175.838 174.990 -0.015 0.000 1.131 272 C CA 0.414 59.421 59.018 -0.019 0.000 2.333 272 C CB -1.686 26.043 27.740 -0.019 0.000 1.414 272 C HN 0.567 nan 8.230 nan 0.000 0.576 273 Q N 0.361 120.153 119.800 -0.014 0.000 2.179 273 Q HA 0.260 4.600 4.340 -0.000 0.000 0.244 273 Q C 0.263 176.260 176.000 -0.006 0.000 0.808 273 Q CA 0.111 55.909 55.803 -0.008 0.000 0.955 273 Q CB 0.536 29.272 28.738 -0.004 0.000 1.141 273 Q HN 0.846 nan 8.270 nan 0.000 0.485 274 N N 0.939 119.631 118.700 -0.014 0.000 2.264 274 N HA 0.456 5.196 4.740 -0.000 0.000 0.288 274 N C -1.226 174.259 175.510 -0.042 0.000 1.094 274 N CA -0.387 52.656 53.050 -0.012 0.000 0.817 274 N CB 2.521 41.007 38.487 -0.000 0.000 1.604 274 N HN -0.048 nan 8.380 nan 0.000 0.473 275 I N 1.237 121.772 120.570 -0.059 0.000 2.359 275 I HA 0.234 4.403 4.170 -0.000 0.000 0.294 275 I C 0.071 176.099 176.117 -0.148 0.000 0.987 275 I CA -0.307 60.886 61.300 -0.178 0.000 1.225 275 I CB 1.567 39.373 38.000 -0.323 0.000 1.366 275 I HN 0.247 nan 8.210 nan 0.000 0.466 276 T N 5.517 119.978 114.554 -0.154 0.000 2.756 276 T HA 0.387 4.737 4.350 -0.000 0.000 0.290 276 T C -0.607 174.024 174.700 -0.115 0.000 0.985 276 T CA -0.358 61.708 62.100 -0.057 0.000 0.955 276 T CB 0.081 68.943 68.868 -0.010 0.000 0.930 276 T HN 0.143 nan 8.240 nan 0.000 0.451 277 Y N 2.474 122.786 120.300 0.019 0.000 2.365 277 Y HA 0.332 4.882 4.550 -0.000 0.000 0.340 277 Y C 0.933 176.853 175.900 0.035 0.000 1.016 277 Y CA -0.528 57.586 58.100 0.024 0.000 1.196 277 Y CB 0.651 39.123 38.460 0.020 0.000 1.167 277 Y HN 0.367 nan 8.280 nan 0.000 0.509 278 K N 2.388 122.886 120.400 0.162 0.000 2.234 278 K HA 0.490 4.810 4.320 -0.000 0.000 0.277 278 K C 0.626 177.319 176.600 0.155 0.000 1.038 278 K CA -0.196 56.169 56.287 0.130 0.000 0.888 278 K CB 1.385 33.945 32.500 0.100 0.000 1.091 278 K HN 0.838 nan 8.250 nan 0.000 0.467 279 A N 2.668 125.555 122.820 0.112 0.000 1.834 279 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 279 A C 0.519 178.147 177.584 0.073 0.000 1.203 279 A CA 1.221 53.304 52.037 0.076 0.000 0.621 279 A CB -0.371 18.650 19.000 0.034 0.000 0.841 279 A HN 0.665 nan 8.150 nan 0.000 0.446 280 S N 0.163 115.903 115.700 0.068 0.000 2.562 280 S HA 0.228 4.698 4.470 -0.000 0.000 0.281 280 S C -0.266 174.457 174.600 0.204 0.000 1.333 280 S CA -0.155 58.076 58.200 0.052 0.000 1.052 280 S CB -0.058 63.173 63.200 0.052 0.000 0.884 280 S HN 0.519 nan 8.310 nan 0.000 0.506 281 H N 1.942 121.040 119.070 0.047 0.000 2.788 281 H HA 0.184 4.740 4.556 -0.000 0.000 0.254 281 H C -0.304 175.073 175.328 0.080 0.000 1.541 281 H CA -0.438 55.645 56.048 0.058 0.000 1.295 281 H CB -0.328 29.459 29.762 0.042 0.000 1.592 281 H HN 0.581 nan 8.280 nan 0.000 0.545 282 N N 4.135 122.957 118.700 0.203 0.000 2.482 282 N HA 0.151 4.891 4.740 -0.000 0.000 0.242 282 N C -0.490 175.131 175.510 0.185 0.000 1.100 282 N CA -0.228 52.916 53.050 0.156 0.000 0.946 282 N CB 1.011 39.568 38.487 0.117 0.000 1.227 282 N HN 0.411 nan 8.380 nan 0.000 0.508 283 I N 1.421 122.113 120.570 0.203 0.000 2.315 283 I HA 0.283 4.453 4.170 -0.000 0.000 0.291 283 I C 1.115 177.347 176.117 0.191 0.000 1.006 283 I CA -0.790 60.665 61.300 0.258 0.000 1.265 283 I CB 1.231 39.426 38.000 0.325 0.000 1.387 283 I HN 0.392 nan 8.210 nan 0.000 0.475 284 G N 7.111 116.009 108.800 0.163 0.000 2.476 284 G HA2 0.554 4.513 3.960 -0.000 0.000 0.269 284 G HA3 0.554 4.513 3.960 -0.000 0.000 0.269 284 G C -0.391 174.574 174.900 0.108 0.000 1.195 284 G CA -0.413 44.750 45.100 0.106 0.000 0.843 284 G HN 0.415 nan 8.290 nan 0.000 0.545 285 I N 1.308 121.932 120.570 0.089 0.000 2.382 285 I HA 0.394 4.563 4.170 -0.000 0.000 0.286 285 I C 0.499 176.653 176.117 0.061 0.000 1.002 285 I CA -1.309 60.045 61.300 0.090 0.000 1.135 285 I CB 0.948 39.002 38.000 0.089 0.000 1.288 285 I HN 0.520 nan 8.210 nan 0.000 0.448 286 A N 8.311 131.161 122.820 0.050 0.000 2.320 286 A HA 0.775 5.094 4.320 -0.000 0.000 0.287 286 A C -0.085 177.521 177.584 0.037 0.000 1.181 286 A CA -0.270 51.787 52.037 0.033 0.000 0.831 286 A CB 0.474 19.483 19.000 0.015 0.000 1.102 286 A HN 0.764 nan 8.150 nan 0.000 0.513 287 M N 1.996 121.616 119.600 0.034 0.000 2.530 287 M HA 0.362 4.842 4.480 -0.000 0.000 0.307 287 M C -1.368 174.952 176.300 0.033 0.000 1.161 287 M CA -0.641 54.680 55.300 0.034 0.000 0.903 287 M CB 2.372 34.991 32.600 0.032 0.000 1.711 287 M HN 0.560 nan 8.290 nan 0.000 0.451 288 D N 1.524 121.944 120.400 0.035 0.000 2.278 288 D HA 0.460 5.100 4.640 -0.000 0.000 0.245 288 D C -0.701 175.623 176.300 0.040 0.000 1.052 288 D CA -0.013 54.012 54.000 0.042 0.000 0.834 288 D CB 2.220 43.046 40.800 0.043 0.000 1.194 288 D HN 0.444 nan 8.370 nan 0.000 0.481 289 T N 0.545 115.126 114.554 0.046 0.000 2.937 289 T HA 0.155 4.505 4.350 -0.000 0.000 0.283 289 T C 1.034 175.768 174.700 0.057 0.000 1.012 289 T CA -0.671 61.449 62.100 0.033 0.000 0.997 289 T CB 1.088 69.960 68.868 0.008 0.000 1.136 289 T HN 0.247 nan 8.240 nan 0.000 0.551 290 E N 0.443 120.666 120.200 0.038 0.000 2.495 290 E HA -0.077 4.273 4.350 -0.000 0.000 0.204 290 E C 0.730 177.385 176.600 0.092 0.000 1.163 290 E CA 0.573 57.011 56.400 0.062 0.000 0.922 290 E CB -0.035 29.679 29.700 0.023 0.000 0.918 290 E HN 0.483 nan 8.360 nan 0.000 0.537 291 Q N -0.711 119.143 119.800 0.090 0.000 2.113 291 Q HA 0.208 4.548 4.340 -0.000 0.000 0.225 291 Q C 0.670 176.808 176.000 0.231 0.000 0.786 291 Q CA 0.073 55.942 55.803 0.109 0.000 0.989 291 Q CB 1.744 30.378 28.738 -0.173 0.000 1.174 291 Q HN 0.296 nan 8.270 nan 0.000 0.470 292 G N 1.789 110.699 108.800 0.182 0.000 2.503 292 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.235 292 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.235 292 G C -1.081 173.872 174.900 0.088 0.000 1.179 292 G CA -0.372 44.818 45.100 0.150 0.000 0.944 292 G HN 0.178 nan 8.290 nan 0.000 0.580 293 L N 1.018 122.284 121.223 0.072 0.000 2.261 293 L HA 0.838 5.178 4.340 -0.000 0.000 0.289 293 L C -0.046 176.848 176.870 0.040 0.000 1.059 293 L CA -0.443 54.427 54.840 0.050 0.000 0.816 293 L CB 0.638 42.722 42.059 0.041 0.000 1.191 293 L HN 0.684 nan 8.230 nan 0.000 0.431 294 I N 4.669 125.260 120.570 0.034 0.000 2.569 294 I HA 0.512 4.681 4.170 -0.000 0.000 0.296 294 I C -1.052 175.081 176.117 0.027 0.000 1.028 294 I CA -0.618 60.699 61.300 0.028 0.000 1.082 294 I CB 2.066 40.078 38.000 0.021 0.000 1.264 294 I HN 0.317 nan 8.210 nan 0.000 0.429 295 V N 8.390 128.320 119.914 0.026 0.000 2.383 295 V HA 0.347 4.467 4.120 -0.000 0.000 0.264 295 V C -2.313 173.801 176.094 0.033 0.000 1.001 295 V CA -1.132 61.186 62.300 0.030 0.000 0.828 295 V CB 0.739 32.577 31.823 0.025 0.000 1.069 295 V HN 0.573 nan 8.190 nan 0.000 0.451 296 P HA 0.377 nan 4.420 nan 0.000 0.281 296 P C -0.970 176.360 177.300 0.050 0.000 1.249 296 P CA -0.293 62.829 63.100 0.036 0.000 0.810 296 P CB 1.195 32.912 31.700 0.028 0.000 1.008 297 N N -0.598 118.134 118.700 0.053 0.000 2.292 297 N HA 0.439 5.179 4.740 -0.000 0.000 0.303 297 N C -1.085 174.464 175.510 0.065 0.000 1.140 297 N CA -1.068 52.026 53.050 0.072 0.000 0.788 297 N CB 1.115 39.652 38.487 0.084 0.000 1.361 297 N HN -0.040 nan 8.380 nan 0.000 0.489 298 V N 1.312 121.273 119.914 0.079 0.000 2.432 298 V HA 0.186 4.306 4.120 -0.000 0.000 0.271 298 V C 0.257 176.394 176.094 0.072 0.000 1.046 298 V CA -0.636 61.702 62.300 0.063 0.000 0.945 298 V CB 0.248 32.111 31.823 0.067 0.000 0.992 298 V HN 0.594 nan 8.190 nan 0.000 0.471 299 K N 4.510 124.940 120.400 0.051 0.000 2.322 299 K HA 0.207 4.527 4.320 -0.000 0.000 0.283 299 K C 0.366 176.994 176.600 0.047 0.000 1.042 299 K CA -0.027 56.291 56.287 0.051 0.000 0.958 299 K CB 0.206 32.726 32.500 0.033 0.000 0.984 299 K HN 0.741 nan 8.250 nan 0.000 0.473 300 N N 1.235 119.970 118.700 0.057 0.000 2.814 300 N HA -0.141 4.599 4.740 -0.000 0.000 0.247 300 N C 0.645 176.166 175.510 0.019 0.000 1.089 300 N CA 0.449 53.513 53.050 0.022 0.000 0.682 300 N CB -1.622 36.866 38.487 0.002 0.000 0.970 300 N HN 0.302 nan 8.380 nan 0.000 0.554 301 V N 0.532 120.487 119.914 0.068 0.000 2.626 301 V HA -0.263 3.857 4.120 -0.000 0.000 0.252 301 V C 2.527 178.648 176.094 0.045 0.000 1.067 301 V CA 2.209 64.556 62.300 0.080 0.000 1.081 301 V CB -0.148 31.766 31.823 0.151 0.000 0.686 301 V HN 0.557 nan 8.190 nan 0.000 0.468 302 Q N 1.676 121.468 119.800 -0.014 0.000 2.364 302 Q HA -0.142 4.197 4.340 -0.000 0.000 0.209 302 Q C 1.617 177.584 176.000 -0.056 0.000 0.977 302 Q CA 1.981 57.740 55.803 -0.074 0.000 0.885 302 Q CB -0.671 27.883 28.738 -0.307 0.000 0.941 302 Q HN 0.824 nan 8.270 nan 0.000 0.464 303 I N -3.022 117.523 120.570 -0.043 0.000 3.877 303 I HA 0.425 4.595 4.170 -0.000 0.000 0.332 303 I C -0.052 176.058 176.117 -0.011 0.000 1.525 303 I CA -0.732 60.551 61.300 -0.027 0.000 1.146 303 I CB 0.465 38.446 38.000 -0.030 0.000 1.137 303 I HN -0.177 nan 8.210 nan 0.000 0.424 304 R N 1.364 121.861 120.500 -0.005 0.000 2.670 304 R HA 0.553 4.893 4.340 -0.000 0.000 0.289 304 R C -0.049 176.250 176.300 -0.002 0.000 0.965 304 R CA -0.606 55.494 56.100 -0.001 0.000 0.899 304 R CB 2.171 32.468 30.300 -0.005 0.000 1.173 304 R HN 0.417 nan 8.270 nan 0.000 0.456 305 S N 1.252 116.959 115.700 0.011 0.000 2.593 305 S HA 0.116 4.586 4.470 -0.000 0.000 0.269 305 S C 1.553 176.139 174.600 -0.024 0.000 1.334 305 S CA -0.627 57.581 58.200 0.013 0.000 1.015 305 S CB 0.635 63.877 63.200 0.070 0.000 0.912 305 S HN 0.592 nan 8.310 nan 0.000 0.541 306 I N 0.431 120.955 120.570 -0.076 0.000 2.229 306 I HA -0.227 3.943 4.170 -0.000 0.000 0.250 306 I C 2.049 178.086 176.117 -0.132 0.000 1.096 306 I CA 1.814 62.993 61.300 -0.201 0.000 1.358 306 I CB -0.415 37.343 38.000 -0.403 0.000 1.047 306 I HN 0.778 nan 8.210 nan 0.000 0.422 307 F N 1.376 121.235 119.950 -0.151 0.000 2.163 307 F HA -0.153 4.374 4.527 -0.000 0.000 0.297 307 F C 2.392 178.142 175.800 -0.082 0.000 1.094 307 F CA 1.632 59.566 58.000 -0.111 0.000 1.290 307 F CB -0.279 38.676 39.000 -0.075 0.000 1.017 307 F HN 0.033 nan 8.300 nan 0.000 0.483 308 E N 0.369 120.487 120.200 -0.137 0.000 2.150 308 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 308 E C 2.304 178.773 176.600 -0.218 0.000 0.985 308 E CA 1.393 57.661 56.400 -0.220 0.000 0.814 308 E CB -0.183 29.492 29.700 -0.043 0.000 0.752 308 E HN 0.483 nan 8.360 nan 0.000 0.466 309 I N 1.206 121.682 120.570 -0.157 0.000 2.179 309 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 309 I C 2.566 178.581 176.117 -0.170 0.000 1.088 309 I CA 1.024 62.251 61.300 -0.123 0.000 1.357 309 I CB -0.325 37.624 38.000 -0.084 0.000 1.051 309 I HN 0.082 nan 8.210 nan 0.000 0.409 310 A N 0.346 123.020 122.820 -0.244 0.000 1.883 310 A HA -0.244 4.075 4.320 -0.000 0.000 0.217 310 A C 2.396 179.815 177.584 -0.276 0.000 1.186 310 A CA 2.646 54.538 52.037 -0.241 0.000 0.624 310 A CB -1.249 17.606 19.000 -0.243 0.000 0.822 310 A HN 0.395 nan 8.150 nan 0.000 0.444 311 T N -0.552 113.731 114.554 -0.450 0.000 2.665 311 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 311 T C 1.929 176.504 174.700 -0.208 0.000 1.035 311 T CA 1.890 63.756 62.100 -0.390 0.000 1.151 311 T CB -0.264 68.288 68.868 -0.528 0.000 0.862 311 T HN 0.595 nan 8.240 nan 0.000 0.438 312 E N 0.744 120.842 120.200 -0.170 0.000 2.106 312 E HA -0.005 4.345 4.350 -0.000 0.000 0.192 312 E C 2.073 178.635 176.600 -0.064 0.000 0.984 312 E CA 0.787 57.131 56.400 -0.094 0.000 0.806 312 E CB -0.484 29.176 29.700 -0.067 0.000 0.750 312 E HN 0.418 nan 8.360 nan 0.000 0.458 313 L N 0.384 121.566 121.223 -0.067 0.000 2.027 313 L HA -0.178 4.161 4.340 -0.000 0.000 0.206 313 L C 2.219 179.069 176.870 -0.033 0.000 1.074 313 L CA 1.501 56.321 54.840 -0.033 0.000 0.745 313 L CB -0.711 41.333 42.059 -0.026 0.000 0.898 313 L HN 0.291 nan 8.230 nan 0.000 0.433 314 N N -0.117 118.549 118.700 -0.057 0.000 2.037 314 N HA -0.291 4.448 4.740 -0.000 0.000 0.196 314 N C 1.980 177.466 175.510 -0.040 0.000 1.034 314 N CA 1.553 54.574 53.050 -0.049 0.000 0.861 314 N CB -0.169 38.275 38.487 -0.073 0.000 1.039 314 N HN 0.274 nan 8.380 nan 0.000 0.427 315 R N 1.307 121.776 120.500 -0.051 0.000 2.083 315 R HA -0.098 4.242 4.340 -0.000 0.000 0.237 315 R C 2.194 178.480 176.300 -0.024 0.000 1.137 315 R CA 1.148 57.224 56.100 -0.039 0.000 0.951 315 R CB -0.243 30.029 30.300 -0.046 0.000 0.851 315 R HN 0.226 nan 8.270 nan 0.000 0.434 316 L N 0.345 121.557 121.223 -0.018 0.000 2.291 316 L HA -0.112 4.228 4.340 -0.000 0.000 0.214 316 L C 2.716 179.586 176.870 -0.001 0.000 1.120 316 L CA 0.983 55.819 54.840 -0.006 0.000 0.799 316 L CB -0.320 41.741 42.059 0.003 0.000 0.925 316 L HN 0.407 nan 8.230 nan 0.000 0.446 317 Q N 0.500 120.298 119.800 -0.003 0.000 2.123 317 Q HA -0.214 4.126 4.340 -0.000 0.000 0.196 317 Q C 2.150 178.148 176.000 -0.003 0.000 0.958 317 Q CA 1.112 56.916 55.803 0.002 0.000 0.841 317 Q CB 0.247 28.988 28.738 0.005 0.000 0.915 317 Q HN 0.187 nan 8.270 nan 0.000 0.455 318 K N 0.318 120.713 120.400 -0.009 0.000 1.991 318 K HA -0.171 4.149 4.320 -0.000 0.000 0.212 318 K C 1.953 178.547 176.600 -0.011 0.000 1.049 318 K CA 1.311 57.591 56.287 -0.010 0.000 0.932 318 K CB -0.415 32.076 32.500 -0.015 0.000 0.717 318 K HN 0.172 nan 8.250 nan 0.000 0.441 319 L N 0.227 121.442 121.223 -0.012 0.000 2.042 319 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 319 L C 2.294 179.156 176.870 -0.012 0.000 1.076 319 L CA 2.316 57.148 54.840 -0.013 0.000 0.749 319 L CB -1.336 40.716 42.059 -0.012 0.000 0.893 319 L HN 0.458 nan 8.230 nan 0.000 0.432 320 G N -1.777 107.019 108.800 -0.007 0.000 2.402 320 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 320 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 320 G C 1.579 176.474 174.900 -0.008 0.000 1.162 320 G CA 0.976 46.073 45.100 -0.005 0.000 0.777 320 G HN 0.517 nan 8.290 nan 0.000 0.539 321 S N -0.200 115.497 115.700 -0.006 0.000 2.603 321 S HA 0.532 5.002 4.470 -0.000 0.000 0.220 321 S C 1.610 176.202 174.600 -0.013 0.000 0.967 321 S CA 0.827 59.023 58.200 -0.006 0.000 0.920 321 S CB 0.337 63.538 63.200 0.001 0.000 0.773 321 S HN 0.557 nan 8.310 nan 0.000 0.529 322 A N 0.082 122.891 122.820 -0.018 0.000 2.545 322 A HA 0.690 5.010 4.320 -0.000 0.000 0.263 322 A C 1.432 178.995 177.584 -0.034 0.000 1.202 322 A CA 0.109 52.132 52.037 -0.024 0.000 0.959 322 A CB -0.542 18.446 19.000 -0.019 0.000 1.124 322 A HN 1.393 nan 8.150 nan 0.000 0.543 323 G N -0.100 108.677 108.800 -0.038 0.000 2.225 323 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.267 323 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.267 323 G C 0.331 175.203 174.900 -0.048 0.000 1.024 323 G CA 0.664 45.731 45.100 -0.054 0.000 0.784 323 G HN 0.580 nan 8.290 nan 0.000 0.507 324 Q N -0.843 118.937 119.800 -0.033 0.000 2.186 324 Q HA 0.355 4.695 4.340 -0.000 0.000 0.241 324 Q C 0.876 176.864 176.000 -0.020 0.000 0.849 324 Q CA -0.344 55.443 55.803 -0.027 0.000 1.053 324 Q CB 0.686 29.411 28.738 -0.023 0.000 1.146 324 Q HN 0.586 nan 8.270 nan 0.000 0.475 325 L N 2.254 123.466 121.223 -0.018 0.000 2.455 325 L HA 0.033 4.373 4.340 -0.000 0.000 0.272 325 L C 1.005 177.870 176.870 -0.008 0.000 1.174 325 L CA -0.034 54.800 54.840 -0.010 0.000 0.869 325 L CB 0.507 42.563 42.059 -0.005 0.000 1.130 325 L HN 0.202 nan 8.230 nan 0.000 0.474 326 S N 1.141 116.838 115.700 -0.005 0.000 2.617 326 S HA 0.036 4.506 4.470 -0.000 0.000 0.259 326 S C 1.080 175.681 174.600 0.001 0.000 1.301 326 S CA -0.196 58.003 58.200 -0.003 0.000 0.984 326 S CB 1.265 64.463 63.200 -0.002 0.000 0.954 326 S HN 0.669 nan 8.310 nan 0.000 0.572 327 T N 0.790 115.346 114.554 0.003 0.000 2.777 327 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 327 T C 1.795 176.500 174.700 0.010 0.000 1.040 327 T CA 1.932 64.036 62.100 0.007 0.000 1.141 327 T CB -0.947 67.925 68.868 0.006 0.000 0.868 327 T HN 0.803 nan 8.240 nan 0.000 0.444 328 N N 0.631 119.336 118.700 0.009 0.000 2.381 328 N HA -0.087 4.652 4.740 -0.000 0.000 0.182 328 N C 1.374 176.893 175.510 0.015 0.000 1.025 328 N CA 1.143 54.201 53.050 0.012 0.000 0.888 328 N CB -0.073 38.420 38.487 0.010 0.000 0.965 328 N HN 0.274 nan 8.380 nan 0.000 0.438 329 D N -0.418 119.990 120.400 0.013 0.000 2.277 329 D HA -0.053 4.587 4.640 -0.000 0.000 0.208 329 D C 1.320 177.633 176.300 0.022 0.000 0.962 329 D CA 0.399 54.408 54.000 0.016 0.000 0.865 329 D CB 0.166 40.973 40.800 0.010 0.000 0.939 329 D HN 0.271 nan 8.370 nan 0.000 0.510 330 L N 0.645 121.879 121.223 0.019 0.000 2.202 330 L HA 0.143 4.483 4.340 -0.000 0.000 0.205 330 L C 1.037 177.922 176.870 0.025 0.000 1.083 330 L CA 0.562 55.414 54.840 0.021 0.000 0.790 330 L CB -0.453 41.616 42.059 0.016 0.000 0.942 330 L HN -0.003 nan 8.230 nan 0.000 0.452 331 I N -3.096 117.488 120.570 0.024 0.000 3.110 331 I HA 0.612 4.782 4.170 -0.000 0.000 0.314 331 I C 1.408 177.544 176.117 0.033 0.000 1.020 331 I CA -0.053 61.262 61.300 0.026 0.000 1.169 331 I CB -0.070 37.943 38.000 0.022 0.000 1.437 331 I HN 0.222 nan 8.210 nan 0.000 0.595 332 G N 1.013 109.833 108.800 0.034 0.000 2.155 332 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.257 332 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.257 332 G C 0.555 175.488 174.900 0.056 0.000 0.983 332 G CA 0.070 45.195 45.100 0.042 0.000 0.676 332 G HN 1.344 nan 8.290 nan 0.000 0.528 333 G N -0.703 108.132 108.800 0.058 0.000 2.491 333 G HA2 0.518 4.477 3.960 -0.000 0.000 0.242 333 G HA3 0.518 4.477 3.960 -0.000 0.000 0.242 333 G C 1.069 176.022 174.900 0.089 0.000 1.266 333 G CA 1.014 46.161 45.100 0.079 0.000 0.844 333 G HN 1.195 nan 8.290 nan 0.000 0.571 334 T N -1.688 112.945 114.554 0.131 0.000 2.985 334 T HA 0.390 4.740 4.350 -0.000 0.000 0.254 334 T C -0.003 174.820 174.700 0.206 0.000 1.021 334 T CA -0.046 62.138 62.100 0.139 0.000 0.957 334 T CB 0.104 69.059 68.868 0.145 0.000 1.047 334 T HN 0.540 nan 8.240 nan 0.000 0.511 335 F N 0.792 120.753 119.950 0.018 0.000 2.704 335 F HA 0.493 5.020 4.527 -0.000 0.000 0.312 335 F C -1.933 173.899 175.800 0.054 0.000 1.108 335 F CA -0.437 57.570 58.000 0.011 0.000 1.005 335 F CB 1.497 40.489 39.000 -0.014 0.000 1.277 335 F HN -0.071 nan 8.300 nan 0.000 0.445 336 T N 5.820 120.050 114.554 -0.539 0.000 2.893 336 T HA 0.721 5.071 4.350 -0.000 0.000 0.293 336 T C -1.304 173.237 174.700 -0.265 0.000 1.027 336 T CA -0.630 61.326 62.100 -0.239 0.000 0.988 336 T CB 1.861 70.643 68.868 -0.143 0.000 1.043 336 T HN 0.544 nan 8.240 nan 0.000 0.461 337 L N 1.673 122.892 121.223 -0.008 0.000 2.388 337 L HA 0.817 5.156 4.340 -0.000 0.000 0.264 337 L C -0.475 176.417 176.870 0.036 0.000 0.998 337 L CA -0.861 54.005 54.840 0.044 0.000 0.817 337 L CB 2.298 44.496 42.059 0.232 0.000 1.338 337 L HN 0.661 nan 8.230 nan 0.000 0.414 338 S N 1.344 117.044 115.700 -0.000 0.000 2.720 338 S HA 0.291 4.761 4.470 -0.000 0.000 0.278 338 S C -0.869 173.737 174.600 0.011 0.000 1.172 338 S CA -0.660 57.542 58.200 0.004 0.000 1.019 338 S CB 0.934 64.113 63.200 -0.035 0.000 1.049 338 S HN 0.608 nan 8.310 nan 0.000 0.483 339 N N 5.220 123.957 118.700 0.061 0.000 3.331 339 N HA 0.168 4.907 4.740 -0.000 0.000 0.303 339 N C 1.636 177.171 175.510 0.041 0.000 1.326 339 N CA -0.436 52.662 53.050 0.081 0.000 1.207 339 N CB -0.505 38.074 38.487 0.155 0.000 1.477 339 N HN 0.838 nan 8.380 nan 0.000 0.541 340 I N -1.766 118.804 120.570 -0.000 0.000 2.229 340 I HA -0.190 3.980 4.170 -0.000 0.000 0.250 340 I C 1.675 177.790 176.117 -0.002 0.000 1.096 340 I CA 1.802 63.097 61.300 -0.009 0.000 1.358 340 I CB -0.528 37.451 38.000 -0.036 0.000 1.047 340 I HN 0.219 nan 8.210 nan 0.000 0.422 341 G N 1.083 109.881 108.800 -0.002 0.000 2.509 341 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 341 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 341 G C 1.718 176.636 174.900 0.029 0.000 1.124 341 G CA 0.882 45.981 45.100 -0.001 0.000 0.776 341 G HN 0.669 nan 8.290 nan 0.000 0.547 342 S N -0.088 115.647 115.700 0.057 0.000 2.465 342 S HA -0.035 4.435 4.470 -0.000 0.000 0.241 342 S C 2.047 176.670 174.600 0.039 0.000 1.000 342 S CA 1.196 59.434 58.200 0.064 0.000 0.964 342 S CB -0.187 63.058 63.200 0.076 0.000 0.763 342 S HN 0.353 nan 8.310 nan 0.000 0.512 343 I N 0.219 120.803 120.570 0.024 0.000 3.136 343 I HA 0.458 4.628 4.170 -0.000 0.000 0.262 343 I C 1.425 177.544 176.117 0.002 0.000 1.132 343 I CA 0.703 62.011 61.300 0.014 0.000 1.450 343 I CB 0.502 38.510 38.000 0.012 0.000 1.315 343 I HN 0.537 nan 8.210 nan 0.000 0.460 344 G N -0.819 107.976 108.800 -0.008 0.000 2.341 344 G HA2 0.494 4.454 3.960 -0.000 0.000 0.299 344 G HA3 0.494 4.454 3.960 -0.000 0.000 0.299 344 G C -0.905 173.973 174.900 -0.037 0.000 1.274 344 G CA -0.067 45.020 45.100 -0.022 0.000 0.853 344 G HN 0.590 nan 8.290 nan 0.000 0.493 345 G N -2.474 106.296 108.800 -0.050 0.000 2.650 345 G HA2 0.484 4.444 3.960 -0.000 0.000 0.686 345 G HA3 0.484 4.444 3.960 -0.000 0.000 0.686 345 G C 0.377 175.206 174.900 -0.118 0.000 1.205 345 G CA 0.672 45.731 45.100 -0.069 0.000 0.781 345 G HN 2.145 nan 8.290 nan 0.000 0.648 346 T N -1.702 112.762 114.554 -0.149 0.000 3.571 346 T HA 0.521 4.870 4.350 -0.000 0.000 0.217 346 T C 0.948 175.405 174.700 -0.404 0.000 0.925 346 T CA 0.874 62.792 62.100 -0.303 0.000 1.376 346 T CB 0.242 68.934 68.868 -0.292 0.000 1.375 346 T HN 0.804 nan 8.240 nan 0.000 0.404 347 Y N 1.725 121.971 120.300 -0.091 0.000 2.458 347 Y HA 0.790 5.340 4.550 -0.000 0.000 0.322 347 Y C 0.554 176.391 175.900 -0.105 0.000 1.259 347 Y CA -0.612 57.420 58.100 -0.113 0.000 1.302 347 Y CB 1.270 39.663 38.460 -0.112 0.000 1.314 347 Y HN 0.820 nan 8.280 nan 0.000 0.509 348 A N 0.909 123.773 122.820 0.074 0.000 2.602 348 A HA 0.639 4.958 4.320 -0.000 0.000 0.290 348 A C -1.583 175.985 177.584 -0.028 0.000 1.114 348 A CA -0.960 51.073 52.037 -0.007 0.000 0.683 348 A CB 1.986 20.957 19.000 -0.048 0.000 1.281 348 A HN 0.490 nan 8.150 nan 0.000 0.416 349 K N 2.122 122.497 120.400 -0.041 0.000 2.540 349 K HA 0.349 4.669 4.320 -0.000 0.000 0.218 349 K C -2.597 173.974 176.600 -0.048 0.000 1.017 349 K CA -1.553 54.705 56.287 -0.049 0.000 1.029 349 K CB 0.705 33.168 32.500 -0.062 0.000 1.348 349 K HN 0.631 nan 8.250 nan 0.000 0.508 350 P HA 0.081 nan 4.420 nan 0.000 0.272 350 P C -0.342 176.968 177.300 0.016 0.000 1.223 350 P CA -0.474 62.608 63.100 -0.028 0.000 0.784 350 P CB 1.057 32.727 31.700 -0.050 0.000 0.923 351 V N 3.948 123.871 119.914 0.016 0.000 2.370 351 V HA 0.180 4.300 4.120 -0.000 0.000 0.279 351 V C 0.895 177.083 176.094 0.157 0.000 1.029 351 V CA -0.682 61.663 62.300 0.074 0.000 0.870 351 V CB 0.580 32.399 31.823 -0.007 0.000 0.984 351 V HN 0.395 nan 8.190 nan 0.000 0.451 352 I N 5.770 126.540 120.570 0.332 0.000 2.683 352 I HA -0.003 4.167 4.170 -0.000 0.000 0.286 352 I C -0.208 175.938 176.117 0.049 0.000 1.175 352 I CA -0.056 61.287 61.300 0.073 0.000 1.429 352 I CB 0.266 38.197 38.000 -0.115 0.000 1.371 352 I HN 0.296 nan 8.210 nan 0.000 0.569 353 L N 9.751 130.972 121.223 -0.004 0.000 2.295 353 L HA 0.320 4.660 4.340 -0.000 0.000 0.288 353 L C -1.885 174.981 176.870 -0.007 0.000 1.079 353 L CA -2.371 52.470 54.840 0.001 0.000 0.830 353 L CB -0.508 41.547 42.059 -0.006 0.000 1.200 353 L HN 0.334 nan 8.230 nan 0.000 0.438 354 P HA 0.123 nan 4.420 nan 0.000 0.266 354 P C -2.054 175.246 177.300 0.000 0.000 1.195 354 P CA -0.857 62.240 63.100 -0.005 0.000 0.768 354 P CB 0.050 31.751 31.700 0.002 0.000 0.838 355 P HA 0.204 nan 4.420 nan 0.000 0.258 355 P C 0.060 177.347 177.300 -0.021 0.000 1.416 355 P CA -0.008 63.084 63.100 -0.012 0.000 0.927 355 P CB 0.424 32.119 31.700 -0.008 0.000 1.444 356 E N 0.067 120.256 120.200 -0.019 0.000 2.410 356 E HA 0.099 4.449 4.350 -0.000 0.000 0.255 356 E C 1.033 177.599 176.600 -0.056 0.000 1.194 356 E CA -0.118 56.267 56.400 -0.026 0.000 0.955 356 E CB 0.931 30.614 29.700 -0.028 0.000 0.988 356 E HN -0.043 nan 8.360 nan 0.000 0.461 357 V N -2.811 117.066 119.914 -0.060 0.000 3.556 357 V HA 0.591 4.711 4.120 -0.000 0.000 0.287 357 V C 0.174 176.201 176.094 -0.111 0.000 1.422 357 V CA 0.305 62.551 62.300 -0.090 0.000 1.038 357 V CB 0.117 31.889 31.823 -0.085 0.000 0.850 357 V HN 0.560 nan 8.190 nan 0.000 0.437 358 A N 0.026 122.770 122.820 -0.127 0.000 2.606 358 A HA 0.899 5.219 4.320 -0.000 0.000 0.293 358 A C -1.460 175.909 177.584 -0.358 0.000 1.082 358 A CA -0.460 51.475 52.037 -0.170 0.000 0.685 358 A CB 2.331 21.276 19.000 -0.092 0.000 1.284 358 A HN 0.599 nan 8.150 nan 0.000 0.408 359 I N 0.091 120.514 120.570 -0.245 0.000 2.787 359 I HA 0.643 4.813 4.170 -0.000 0.000 0.294 359 I C -0.265 175.830 176.117 -0.037 0.000 1.365 359 I CA -0.411 60.711 61.300 -0.297 0.000 1.029 359 I CB 2.151 40.044 38.000 -0.179 0.000 1.313 359 I HN 1.022 nan 8.210 nan 0.000 0.431 360 G N 4.601 113.327 108.800 -0.122 0.000 2.420 360 G HA2 0.803 4.762 3.960 -0.000 0.000 0.331 360 G HA3 0.803 4.762 3.960 -0.000 0.000 0.331 360 G C -1.425 173.231 174.900 -0.408 0.000 1.168 360 G CA -0.496 44.326 45.100 -0.463 0.000 0.936 360 G HN 0.815 nan 8.290 nan 0.000 0.479 361 A N 1.382 123.924 122.820 -0.464 0.000 2.355 361 A HA 0.797 5.117 4.320 -0.000 0.000 0.317 361 A C -0.582 176.790 177.584 -0.353 0.000 1.094 361 A CA -0.561 51.296 52.037 -0.301 0.000 0.764 361 A CB 1.061 19.946 19.000 -0.191 0.000 1.230 361 A HN 0.675 nan 8.150 nan 0.000 0.448 362 L N 2.482 123.565 121.223 -0.234 0.000 2.322 362 L HA 0.684 5.024 4.340 -0.000 0.000 0.281 362 L C 0.950 177.740 176.870 -0.133 0.000 1.014 362 L CA -0.556 54.158 54.840 -0.209 0.000 0.815 362 L CB 1.807 43.782 42.059 -0.140 0.000 1.247 362 L HN 0.819 nan 8.230 nan 0.000 0.421 363 G N 1.060 109.759 108.800 -0.168 0.000 2.531 363 G HA2 0.428 4.388 3.960 -0.000 0.000 0.281 363 G HA3 0.428 4.388 3.960 -0.000 0.000 0.281 363 G C -0.460 174.374 174.900 -0.109 0.000 1.382 363 G CA -0.438 44.570 45.100 -0.154 0.000 1.045 363 G HN 0.448 nan 8.290 nan 0.000 0.533 364 T N 0.698 115.186 114.554 -0.110 0.000 2.884 364 T HA 0.254 4.603 4.350 -0.000 0.000 0.298 364 T C 0.508 175.140 174.700 -0.113 0.000 0.998 364 T CA 0.213 62.261 62.100 -0.086 0.000 1.124 364 T CB 0.583 69.408 68.868 -0.072 0.000 0.931 364 T HN 0.213 nan 8.240 nan 0.000 0.531 365 I N 3.891 124.390 120.570 -0.118 0.000 2.363 365 I HA 0.239 4.408 4.170 -0.000 0.000 0.292 365 I C 0.615 176.667 176.117 -0.108 0.000 1.075 365 I CA 0.100 61.310 61.300 -0.150 0.000 1.333 365 I CB 0.221 38.070 38.000 -0.252 0.000 1.415 365 I HN 0.328 nan 8.210 nan 0.000 0.502 366 K N 5.339 125.678 120.400 -0.101 0.000 2.397 366 K HA 0.656 4.976 4.320 -0.000 0.000 0.253 366 K C -0.691 175.866 176.600 -0.072 0.000 0.932 366 K CA -0.705 55.535 56.287 -0.078 0.000 0.795 366 K CB 1.916 34.366 32.500 -0.082 0.000 1.159 366 K HN 0.647 nan 8.250 nan 0.000 0.424 367 A N 5.387 128.172 122.820 -0.057 0.000 2.396 367 A HA 0.386 4.705 4.320 -0.000 0.000 0.279 367 A C -0.681 176.869 177.584 -0.056 0.000 1.165 367 A CA -0.192 51.814 52.037 -0.052 0.000 0.824 367 A CB -0.213 18.763 19.000 -0.041 0.000 1.100 367 A HN 0.668 nan 8.150 nan 0.000 0.516 368 L N 3.846 125.032 121.223 -0.063 0.000 2.341 368 L HA 0.481 4.821 4.340 -0.000 0.000 0.267 368 L C -2.432 174.388 176.870 -0.083 0.000 1.009 368 L CA -2.390 52.408 54.840 -0.070 0.000 0.819 368 L CB 2.614 44.629 42.059 -0.072 0.000 1.323 368 L HN 0.391 nan 8.230 nan 0.000 0.425 369 P HA 0.311 nan 4.420 nan 0.000 0.276 369 P C -1.128 176.054 177.300 -0.197 0.000 1.235 369 P CA -0.373 62.643 63.100 -0.140 0.000 0.772 369 P CB 0.736 32.346 31.700 -0.150 0.000 0.871 370 R N 2.248 122.624 120.500 -0.207 0.000 2.668 370 R HA 0.454 4.793 4.340 -0.000 0.000 0.272 370 R C -0.706 175.484 176.300 -0.182 0.000 1.019 370 R CA -0.816 55.159 56.100 -0.209 0.000 0.894 370 R CB 1.043 31.294 30.300 -0.082 0.000 1.228 370 R HN 0.301 nan 8.270 nan 0.000 0.460 371 F N 1.959 121.908 119.950 -0.001 0.000 2.429 371 F HA 0.182 4.709 4.527 -0.000 0.000 0.348 371 F C 1.372 177.172 175.800 -0.001 0.000 1.109 371 F CA -0.261 57.739 58.000 0.000 0.000 1.232 371 F CB 0.520 39.522 39.000 0.003 0.000 1.157 371 F HN 0.472 nan 8.300 nan 0.000 0.564 372 N N 0.417 119.250 118.700 0.222 0.000 2.530 372 N HA 0.200 4.940 4.740 -0.000 0.000 0.283 372 N C 0.594 176.155 175.510 0.086 0.000 1.238 372 N CA -0.639 52.479 53.050 0.114 0.000 0.971 372 N CB 0.194 38.727 38.487 0.076 0.000 1.195 372 N HN 0.607 nan 8.380 nan 0.000 0.583 373 E N -0.024 120.206 120.200 0.050 0.000 2.068 373 E HA -0.275 4.074 4.350 -0.000 0.000 0.207 373 E C 0.872 177.479 176.600 0.013 0.000 1.032 373 E CA 2.121 58.538 56.400 0.028 0.000 0.839 373 E CB -0.167 29.547 29.700 0.022 0.000 0.758 373 E HN 0.593 nan 8.360 nan 0.000 0.457 374 K N -0.692 119.718 120.400 0.018 0.000 2.589 374 K HA -0.030 4.290 4.320 -0.000 0.000 0.195 374 K C 0.982 177.576 176.600 -0.010 0.000 1.040 374 K CA 0.564 56.855 56.287 0.006 0.000 0.950 374 K CB -0.079 32.430 32.500 0.015 0.000 0.781 374 K HN 0.343 nan 8.250 nan 0.000 0.486 375 G N 1.605 110.396 108.800 -0.014 0.000 2.221 375 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.265 375 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.265 375 G C -0.670 174.245 174.900 0.025 0.000 1.041 375 G CA 0.057 45.095 45.100 -0.104 0.000 0.807 375 G HN 0.431 nan 8.290 nan 0.000 0.502 376 E N -1.000 119.298 120.200 0.163 0.000 2.207 376 E HA 0.523 4.873 4.350 -0.000 0.000 0.270 376 E C 0.168 176.924 176.600 0.260 0.000 0.927 376 E CA -1.124 55.393 56.400 0.195 0.000 0.799 376 E CB 2.316 32.073 29.700 0.096 0.000 1.172 376 E HN 0.091 nan 8.360 nan 0.000 0.404 377 V N 2.384 122.406 119.914 0.181 0.000 2.439 377 V HA 0.046 4.166 4.120 -0.000 0.000 0.271 377 V C -0.024 176.070 176.094 0.000 0.000 1.040 377 V CA -0.293 62.028 62.300 0.034 0.000 1.002 377 V CB -0.072 31.735 31.823 -0.026 0.000 1.000 377 V HN 0.759 nan 8.190 nan 0.000 0.477 378 C N 4.772 124.058 119.300 -0.024 0.000 2.470 378 C HA 0.428 4.888 4.460 -0.000 0.000 0.341 378 C C 0.564 175.527 174.990 -0.044 0.000 1.190 378 C CA -1.121 57.886 59.018 -0.019 0.000 1.904 378 C CB 1.660 29.400 27.740 -0.000 0.000 2.354 378 C HN 0.873 nan 8.230 nan 0.000 0.509 379 K N 1.795 122.176 120.400 -0.032 0.000 2.338 379 K HA 0.494 4.814 4.320 -0.000 0.000 0.290 379 K C -0.434 176.144 176.600 -0.036 0.000 1.069 379 K CA 0.114 56.378 56.287 -0.037 0.000 0.941 379 K CB 0.252 32.735 32.500 -0.028 0.000 1.023 379 K HN 0.820 nan 8.250 nan 0.000 0.477 380 A N 4.440 127.232 122.820 -0.046 0.000 2.331 380 A HA 0.279 4.599 4.320 -0.000 0.000 0.320 380 A C -0.882 176.671 177.584 -0.052 0.000 1.138 380 A CA -0.825 51.186 52.037 -0.044 0.000 0.790 380 A CB 1.196 20.170 19.000 -0.044 0.000 1.206 380 A HN 0.628 nan 8.150 nan 0.000 0.470 381 Q N 1.998 121.766 119.800 -0.053 0.000 2.369 381 Q HA 0.281 4.621 4.340 -0.000 0.000 0.247 381 Q C -0.544 175.408 176.000 -0.080 0.000 1.083 381 Q CA 0.093 55.856 55.803 -0.068 0.000 0.905 381 Q CB 0.443 29.139 28.738 -0.069 0.000 1.305 381 Q HN 0.536 nan 8.270 nan 0.000 0.465 382 I N 3.147 123.665 120.570 -0.086 0.000 2.354 382 I HA 0.393 4.562 4.170 -0.000 0.000 0.292 382 I C 0.069 176.115 176.117 -0.117 0.000 0.989 382 I CA -0.567 60.679 61.300 -0.089 0.000 1.188 382 I CB 1.183 39.135 38.000 -0.080 0.000 1.342 382 I HN 0.503 nan 8.210 nan 0.000 0.457 383 M N 6.524 126.053 119.600 -0.118 0.000 2.311 383 M HA 0.431 4.911 4.480 -0.000 0.000 0.325 383 M C -0.909 175.289 176.300 -0.171 0.000 1.061 383 M CA -0.475 54.737 55.300 -0.146 0.000 0.957 383 M CB 1.491 34.014 32.600 -0.128 0.000 1.646 383 M HN 0.489 nan 8.290 nan 0.000 0.434 384 N N 2.268 120.800 118.700 -0.280 0.000 2.529 384 N HA 0.460 5.200 4.740 -0.000 0.000 0.278 384 N C -1.219 174.122 175.510 -0.282 0.000 1.146 384 N CA -0.501 52.316 53.050 -0.388 0.000 0.980 384 N CB 1.992 39.915 38.487 -0.941 0.000 1.124 384 N HN 0.398 nan 8.380 nan 0.000 0.458 385 V N 0.827 120.626 119.914 -0.191 0.000 2.680 385 V HA 0.669 4.789 4.120 -0.000 0.000 0.309 385 V C -1.096 174.800 176.094 -0.331 0.000 1.052 385 V CA -0.314 61.784 62.300 -0.338 0.000 0.908 385 V CB 1.841 33.444 31.823 -0.368 0.000 1.001 385 V HN 0.705 nan 8.190 nan 0.000 0.431 386 S N 5.791 121.179 115.700 -0.519 0.000 2.733 386 S HA 0.610 5.080 4.470 -0.000 0.000 0.294 386 S C -1.571 172.770 174.600 -0.432 0.000 1.149 386 S CA -0.435 57.580 58.200 -0.308 0.000 1.034 386 S CB 1.018 64.143 63.200 -0.124 0.000 1.015 386 S HN 0.737 nan 8.310 nan 0.000 0.486 387 W N 1.404 122.690 121.300 -0.023 0.000 2.606 387 W HA 0.683 5.342 4.660 -0.001 0.000 0.332 387 W C 0.197 176.682 176.519 -0.057 0.000 1.052 387 W CA -0.593 56.728 57.345 -0.040 0.000 1.223 387 W CB 1.201 30.673 29.460 0.020 0.000 1.383 387 W HN 0.397 nan 8.180 nan 0.000 0.524 388 S N 1.459 117.260 115.700 0.169 0.000 2.501 388 S HA 0.901 5.371 4.470 -0.000 0.000 0.301 388 S C -0.679 173.956 174.600 0.058 0.000 1.096 388 S CA -0.726 57.542 58.200 0.113 0.000 1.063 388 S CB 1.561 64.878 63.200 0.195 0.000 1.042 388 S HN 0.559 nan 8.310 nan 0.000 0.494 389 A N 1.519 124.359 122.820 0.033 0.000 2.520 389 A HA 0.557 4.877 4.320 -0.000 0.000 0.298 389 A C -1.159 176.392 177.584 -0.056 0.000 1.051 389 A CA -0.738 51.281 52.037 -0.031 0.000 0.690 389 A CB 1.017 20.009 19.000 -0.013 0.000 1.281 389 A HN 0.659 nan 8.150 nan 0.000 0.402 390 D N 1.156 121.484 120.400 -0.119 0.000 2.359 390 D HA -0.030 4.610 4.640 -0.000 0.000 0.273 390 D C 0.770 177.076 176.300 0.010 0.000 1.362 390 D CA 0.434 54.379 54.000 -0.092 0.000 1.010 390 D CB 0.109 40.847 40.800 -0.104 0.000 1.090 390 D HN 0.578 nan 8.370 nan 0.000 0.521 391 H N 4.459 123.517 119.070 -0.021 0.000 2.561 391 H HA 0.041 4.597 4.556 -0.000 0.000 0.278 391 H C 1.472 176.766 175.328 -0.057 0.000 1.014 391 H CA 0.740 56.767 56.048 -0.035 0.000 1.211 391 H CB 0.369 30.125 29.762 -0.011 0.000 1.365 391 H HN 0.458 nan 8.280 nan 0.000 0.594 392 R N -0.281 120.276 120.500 0.095 0.000 2.105 392 R HA -0.118 4.222 4.340 -0.000 0.000 0.239 392 R C 1.481 177.798 176.300 0.028 0.000 1.135 392 R CA 1.976 58.095 56.100 0.032 0.000 0.967 392 R CB 0.062 30.363 30.300 0.002 0.000 0.861 392 R HN 0.357 nan 8.270 nan 0.000 0.442 393 I N -2.953 117.627 120.570 0.017 0.000 4.327 393 I HA 0.248 4.418 4.170 -0.000 0.000 0.331 393 I C 0.155 176.264 176.117 -0.013 0.000 1.348 393 I CA 0.098 61.394 61.300 -0.007 0.000 1.152 393 I CB 0.709 38.679 38.000 -0.050 0.000 1.151 393 I HN -0.161 nan 8.210 nan 0.000 0.410 394 I N 3.736 124.291 120.570 -0.025 0.000 2.382 394 I HA 0.281 4.450 4.170 -0.000 0.000 0.285 394 I C -0.716 175.269 176.117 -0.219 0.000 1.007 394 I CA -0.794 60.443 61.300 -0.104 0.000 1.142 394 I CB 1.013 38.930 38.000 -0.137 0.000 1.289 394 I HN 0.131 nan 8.210 nan 0.000 0.453 395 D N 4.642 124.936 120.400 -0.177 0.000 2.411 395 D HA 0.146 4.786 4.640 -0.000 0.000 0.251 395 D C 1.294 177.341 176.300 -0.422 0.000 1.201 395 D CA -0.584 53.268 54.000 -0.247 0.000 0.996 395 D CB 0.835 41.588 40.800 -0.079 0.000 1.101 395 D HN 0.522 nan 8.370 nan 0.000 0.504 396 G N -0.693 107.814 108.800 -0.487 0.000 2.408 396 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.217 396 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.217 396 G C 1.468 176.235 174.900 -0.221 0.000 1.150 396 G CA 1.142 45.996 45.100 -0.409 0.000 0.776 396 G HN 0.645 nan 8.290 nan 0.000 0.542 397 A N 0.423 123.136 122.820 -0.180 0.000 1.908 397 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 397 A C 2.523 179.968 177.584 -0.231 0.000 1.181 397 A CA 2.523 54.472 52.037 -0.146 0.000 0.627 397 A CB -0.903 18.052 19.000 -0.074 0.000 0.818 397 A HN 0.294 nan 8.150 nan 0.000 0.445 398 T N -0.960 113.447 114.554 -0.245 0.000 2.857 398 T HA -0.064 4.285 4.350 -0.000 0.000 0.266 398 T C 1.900 176.304 174.700 -0.494 0.000 1.048 398 T CA 1.306 63.190 62.100 -0.361 0.000 1.139 398 T CB -0.361 68.389 68.868 -0.197 0.000 0.874 398 T HN 0.366 nan 8.240 nan 0.000 0.455 399 V N 0.783 120.462 119.914 -0.391 0.000 2.427 399 V HA -0.092 4.028 4.120 -0.000 0.000 0.248 399 V C 2.451 178.172 176.094 -0.622 0.000 1.051 399 V CA 2.366 64.402 62.300 -0.440 0.000 1.048 399 V CB -0.532 31.145 31.823 -0.244 0.000 0.666 399 V HN 0.476 nan 8.190 nan 0.000 0.456 400 S N -0.155 115.115 115.700 -0.716 0.000 2.357 400 S HA -0.124 4.345 4.470 -0.000 0.000 0.221 400 S C 2.138 176.527 174.600 -0.350 0.000 1.031 400 S CA 1.441 59.159 58.200 -0.802 0.000 0.982 400 S CB -0.378 62.509 63.200 -0.522 0.000 0.853 400 S HN 0.707 nan 8.310 nan 0.000 0.458 401 R N -0.503 119.787 120.500 -0.349 0.000 2.120 401 R HA -0.064 4.276 4.340 -0.000 0.000 0.234 401 R C 2.128 178.186 176.300 -0.403 0.000 1.123 401 R CA 1.633 57.556 56.100 -0.295 0.000 0.975 401 R CB -0.521 29.607 30.300 -0.286 0.000 0.866 401 R HN 0.591 nan 8.270 nan 0.000 0.446 402 F N 1.000 120.453 119.950 -0.828 0.000 2.128 402 F HA -0.123 4.404 4.527 -0.000 0.000 0.295 402 F C 2.529 178.180 175.800 -0.249 0.000 1.100 402 F CA 1.449 59.062 58.000 -0.645 0.000 1.260 402 F CB -0.514 38.045 39.000 -0.735 0.000 1.009 402 F HN -0.157 nan 8.300 nan 0.000 0.476 403 S N 0.671 116.212 115.700 -0.265 0.000 2.365 403 S HA -0.262 4.208 4.470 -0.000 0.000 0.225 403 S C 1.911 176.607 174.600 0.160 0.000 1.039 403 S CA 1.988 60.176 58.200 -0.020 0.000 1.033 403 S CB -0.617 62.782 63.200 0.332 0.000 0.887 403 S HN 0.532 nan 8.310 nan 0.000 0.447 404 N N 1.068 119.824 118.700 0.093 0.000 2.069 404 N HA -0.069 4.671 4.740 -0.000 0.000 0.191 404 N C 1.565 177.115 175.510 0.066 0.000 1.031 404 N CA 1.085 54.205 53.050 0.117 0.000 0.852 404 N CB -0.733 37.801 38.487 0.080 0.000 1.018 404 N HN 0.306 nan 8.380 nan 0.000 0.423 405 L N -0.267 120.961 121.223 0.009 0.000 1.994 405 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 405 L C 2.070 178.927 176.870 -0.021 0.000 1.071 405 L CA 1.595 56.408 54.840 -0.044 0.000 0.745 405 L CB -1.258 40.849 42.059 0.080 0.000 0.892 405 L HN 0.356 nan 8.230 nan 0.000 0.431 406 W N 1.281 122.457 121.300 -0.207 0.000 2.305 406 W HA -0.350 4.310 4.660 -0.000 0.000 0.308 406 W C 2.693 179.275 176.519 0.106 0.000 1.226 406 W CA 3.124 60.434 57.345 -0.057 0.000 1.253 406 W CB -0.195 29.082 29.460 -0.306 0.000 1.146 406 W HN 0.341 nan 8.180 nan 0.000 0.507 407 K N 0.120 120.656 120.400 0.227 0.000 2.155 407 K HA -0.123 4.197 4.320 -0.000 0.000 0.203 407 K C 2.033 178.621 176.600 -0.021 0.000 1.052 407 K CA 1.923 58.256 56.287 0.077 0.000 0.948 407 K CB -0.634 32.033 32.500 0.278 0.000 0.728 407 K HN 0.158 nan 8.250 nan 0.000 0.448 408 S N -0.612 115.087 115.700 -0.002 0.000 2.461 408 S HA -0.081 4.389 4.470 -0.000 0.000 0.228 408 S C 1.659 176.263 174.600 0.006 0.000 1.005 408 S CA 0.127 58.336 58.200 0.014 0.000 0.942 408 S CB -0.481 62.766 63.200 0.078 0.000 0.776 408 S HN 0.339 nan 8.310 nan 0.000 0.514 409 Y N 1.847 122.175 120.300 0.045 0.000 2.293 409 Y HA 0.208 4.758 4.550 -0.000 0.000 0.291 409 Y C 2.119 177.971 175.900 -0.079 0.000 1.137 409 Y CA 0.467 58.586 58.100 0.031 0.000 1.202 409 Y CB -0.414 38.062 38.460 0.027 0.000 0.990 409 Y HN 0.255 nan 8.280 nan 0.000 0.537 410 L N -1.010 120.192 121.223 -0.035 0.000 2.168 410 L HA -0.062 4.278 4.340 -0.000 0.000 0.203 410 L C 2.138 178.945 176.870 -0.105 0.000 1.078 410 L CA 0.860 55.641 54.840 -0.098 0.000 0.780 410 L CB -0.367 41.542 42.059 -0.248 0.000 0.939 410 L HN 0.107 nan 8.230 nan 0.000 0.451 411 E N 0.709 120.840 120.200 -0.115 0.000 2.106 411 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 411 E C 0.082 176.570 176.600 -0.188 0.000 0.984 411 E CA 0.752 57.082 56.400 -0.117 0.000 0.806 411 E CB 0.052 29.705 29.700 -0.078 0.000 0.750 411 E HN 0.558 nan 8.360 nan 0.000 0.458 412 N N 1.019 119.533 118.700 -0.310 0.000 2.804 412 N HA 0.142 4.882 4.740 -0.000 0.000 0.251 412 N C -2.486 172.757 175.510 -0.444 0.000 1.250 412 N CA -1.110 51.612 53.050 -0.547 0.000 0.820 412 N CB 1.552 39.345 38.487 -1.157 0.000 1.156 412 N HN -0.055 nan 8.380 nan 0.000 0.512 413 P HA -0.063 nan 4.420 nan 0.000 0.225 413 P C 1.449 178.776 177.300 0.045 0.000 1.148 413 P CA 0.626 63.715 63.100 -0.019 0.000 0.779 413 P CB 0.350 32.038 31.700 -0.019 0.000 0.780 414 A N -0.551 122.255 122.820 -0.023 0.000 1.948 414 A HA -0.237 4.082 4.320 -0.000 0.000 0.220 414 A C 1.823 179.568 177.584 0.268 0.000 1.177 414 A CA 1.537 53.626 52.037 0.087 0.000 0.636 414 A CB -1.771 17.266 19.000 0.062 0.000 0.815 414 A HN 0.058 nan 8.150 nan 0.000 0.449 415 F N -0.260 119.773 119.950 0.140 0.000 2.161 415 F HA -0.197 4.330 4.527 -0.000 0.000 0.300 415 F C 2.490 178.474 175.800 0.307 0.000 1.089 415 F CA 0.923 59.038 58.000 0.193 0.000 1.282 415 F CB -1.136 37.951 39.000 0.145 0.000 1.010 415 F HN 0.193 nan 8.300 nan 0.000 0.485 416 M N -0.686 119.203 119.600 0.481 0.000 2.080 416 M HA -0.254 4.226 4.480 -0.000 0.000 0.260 416 M C 2.427 178.807 176.300 0.134 0.000 1.068 416 M CA 1.499 56.913 55.300 0.191 0.000 1.109 416 M CB -0.947 31.699 32.600 0.077 0.000 1.342 416 M HN 0.132 nan 8.290 nan 0.000 0.405 417 L N 0.394 121.705 121.223 0.146 0.000 2.085 417 L HA -0.320 4.020 4.340 -0.000 0.000 0.218 417 L C 2.506 179.437 176.870 0.101 0.000 1.080 417 L CA 1.400 56.306 54.840 0.110 0.000 0.776 417 L CB -0.509 41.618 42.059 0.113 0.000 0.891 417 L HN 0.413 nan 8.230 nan 0.000 0.437 418 L N -0.637 120.668 121.223 0.137 0.000 2.042 418 L HA -0.265 4.074 4.340 -0.000 0.000 0.210 418 L C 1.563 178.479 176.870 0.076 0.000 1.076 418 L CA 1.800 56.704 54.840 0.107 0.000 0.749 418 L CB -0.331 41.801 42.059 0.122 0.000 0.893 418 L HN 0.433 nan 8.230 nan 0.000 0.432 419 D N -0.883 119.564 120.400 0.079 0.000 2.398 419 D HA 0.190 4.830 4.640 -0.000 0.000 0.210 419 D C 0.587 176.904 176.300 0.028 0.000 1.094 419 D CA 0.024 54.056 54.000 0.053 0.000 0.839 419 D CB 0.706 41.548 40.800 0.069 0.000 0.963 419 D HN 0.249 nan 8.370 nan 0.000 0.506 420 L N 1.081 122.318 121.223 0.025 0.000 2.399 420 L HA 0.303 4.643 4.340 -0.000 0.000 0.266 420 L C 0.819 177.696 176.870 0.013 0.000 1.114 420 L CA -0.264 54.583 54.840 0.011 0.000 0.804 420 L CB 0.983 43.047 42.059 0.008 0.000 1.146 420 L HN -0.356 nan 8.230 nan 0.000 0.451 421 K N 0.000 120.404 120.400 0.007 0.000 2.780 421 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 421 K CA 0.000 56.291 56.287 0.006 0.000 0.838 421 K CB 0.000 32.501 32.500 0.002 0.000 1.064 421 K HN 0.000 nan 8.250 nan 0.000 0.543