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 2ii4_1_E 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 0.000 174.898 174.900 -0.004 0.000 0.946 188 G CA 0.000 45.098 45.100 -0.004 0.000 0.502 189 K N 1.873 122.271 120.400 -0.004 0.000 2.206 189 K HA 0.422 4.742 4.320 -0.000 0.000 0.264 189 K C -1.191 175.406 176.600 -0.005 0.000 0.967 189 K CA -0.732 55.553 56.287 -0.004 0.000 0.844 189 K CB 1.819 34.316 32.500 -0.004 0.000 1.099 189 K HN 0.048 nan 8.250 nan 0.000 0.441 190 D N 2.028 122.424 120.400 -0.006 0.000 2.449 190 D HA -0.007 4.633 4.640 -0.000 0.000 0.236 190 D C 0.141 176.437 176.300 -0.007 0.000 1.149 190 D CA 0.627 54.623 54.000 -0.007 0.000 0.878 190 D CB 0.589 41.384 40.800 -0.007 0.000 1.198 190 D HN 0.301 nan 8.370 nan 0.000 0.446 191 R N 0.651 121.145 120.500 -0.009 0.000 2.514 191 R HA 0.372 4.712 4.340 -0.000 0.000 0.296 191 R C -1.279 175.015 176.300 -0.011 0.000 1.012 191 R CA -0.535 55.559 56.100 -0.009 0.000 0.897 191 R CB 1.004 31.298 30.300 -0.009 0.000 1.184 191 R HN 0.314 nan 8.270 nan 0.000 0.440 192 T N 3.033 117.582 114.554 -0.009 0.000 2.867 192 T HA 0.353 4.703 4.350 -0.000 0.000 0.282 192 T C -0.870 173.824 174.700 -0.010 0.000 1.000 192 T CA -0.517 61.577 62.100 -0.010 0.000 1.042 192 T CB 1.437 70.300 68.868 -0.008 0.000 0.973 192 T HN 0.642 nan 8.240 nan 0.000 0.465 193 E N 2.062 122.255 120.200 -0.013 0.000 2.347 193 E HA 0.425 4.775 4.350 -0.000 0.000 0.285 193 E C -2.754 173.839 176.600 -0.012 0.000 0.925 193 E CA -1.555 54.838 56.400 -0.012 0.000 0.779 193 E CB 1.209 30.898 29.700 -0.019 0.000 1.233 193 E HN 0.352 nan 8.360 nan 0.000 0.414 194 P HA 0.148 nan 4.420 nan 0.000 0.275 194 P C -0.971 176.331 177.300 0.004 0.000 1.227 194 P CA -0.571 62.530 63.100 0.002 0.000 0.781 194 P CB 0.776 32.483 31.700 0.011 0.000 0.906 195 V N 3.869 123.785 119.914 0.005 0.000 2.415 195 V HA 0.080 4.200 4.120 -0.000 0.000 0.267 195 V C 0.750 176.877 176.094 0.054 0.000 1.042 195 V CA 0.329 62.640 62.300 0.018 0.000 1.000 195 V CB -0.606 31.224 31.823 0.012 0.000 1.015 195 V HN 0.475 nan 8.190 nan 0.000 0.478 196 K N 3.083 123.542 120.400 0.099 0.000 2.221 196 K HA 0.684 5.004 4.320 -0.000 0.000 0.243 196 K C 1.099 177.789 176.600 0.149 0.000 0.968 196 K CA 0.024 56.376 56.287 0.108 0.000 0.846 196 K CB 1.948 34.502 32.500 0.090 0.000 1.141 196 K HN 0.729 nan 8.250 nan 0.000 0.434 197 G N 2.175 111.034 108.800 0.099 0.000 2.698 197 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.337 197 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.337 197 G C 0.702 175.660 174.900 0.097 0.000 1.196 197 G CA 1.076 46.235 45.100 0.098 0.000 0.965 197 G HN 0.634 nan 8.290 nan 0.000 0.550 198 F N 1.748 121.645 119.950 -0.089 0.000 2.186 198 F HA 0.093 4.620 4.527 -0.000 0.000 0.299 198 F C 2.752 178.452 175.800 -0.167 0.000 1.090 198 F CA 2.364 60.264 58.000 -0.166 0.000 1.307 198 F CB -0.323 38.514 39.000 -0.271 0.000 1.019 198 F HN 0.465 nan 8.300 nan 0.000 0.489 199 H N -0.017 119.037 119.070 -0.026 0.000 2.543 199 H HA -0.057 4.499 4.556 -0.000 0.000 0.286 199 H C 1.947 177.179 175.328 -0.161 0.000 1.037 199 H CA 0.961 56.940 56.048 -0.115 0.000 1.250 199 H CB -0.139 29.620 29.762 -0.005 0.000 1.373 199 H HN 0.366 nan 8.280 nan 0.000 0.580 200 K N 0.342 120.706 120.400 -0.060 0.000 2.228 200 K HA 0.044 4.364 4.320 -0.000 0.000 0.202 200 K C 2.322 178.842 176.600 -0.134 0.000 1.051 200 K CA 0.578 56.827 56.287 -0.063 0.000 0.960 200 K CB 0.266 32.749 32.500 -0.028 0.000 0.743 200 K HN 0.132 nan 8.250 nan 0.000 0.458 201 A N 1.426 124.086 122.820 -0.267 0.000 1.877 201 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 201 A C 2.089 179.541 177.584 -0.221 0.000 1.186 201 A CA 1.472 53.343 52.037 -0.277 0.000 0.620 201 A CB -0.451 18.274 19.000 -0.458 0.000 0.822 201 A HN 0.289 nan 8.150 nan 0.000 0.443 202 M N -0.221 119.221 119.600 -0.264 0.000 2.149 202 M HA -0.135 4.345 4.480 -0.000 0.000 0.261 202 M C 1.858 178.105 176.300 -0.087 0.000 1.064 202 M CA 1.710 56.918 55.300 -0.154 0.000 1.102 202 M CB -0.212 32.311 32.600 -0.128 0.000 1.369 202 M HN 0.223 nan 8.290 nan 0.000 0.408 203 V N 0.455 120.324 119.914 -0.075 0.000 2.295 203 V HA -0.292 3.828 4.120 -0.000 0.000 0.246 203 V C 2.194 178.262 176.094 -0.043 0.000 1.049 203 V CA 1.980 64.253 62.300 -0.046 0.000 1.024 203 V CB -0.727 31.077 31.823 -0.033 0.000 0.648 203 V HN 0.475 nan 8.190 nan 0.000 0.447 204 K N -0.499 119.870 120.400 -0.052 0.000 2.025 204 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 204 K C 2.361 178.940 176.600 -0.035 0.000 1.049 204 K CA 1.848 58.112 56.287 -0.040 0.000 0.933 204 K CB -0.420 32.055 32.500 -0.041 0.000 0.714 204 K HN 0.410 nan 8.250 nan 0.000 0.438 205 T N 0.919 115.444 114.554 -0.048 0.000 2.643 205 T HA -0.120 4.230 4.350 -0.000 0.000 0.264 205 T C 1.720 176.407 174.700 -0.020 0.000 1.045 205 T CA 1.266 63.345 62.100 -0.035 0.000 1.155 205 T CB -0.045 68.793 68.868 -0.049 0.000 0.863 205 T HN 0.070 nan 8.240 nan 0.000 0.420 206 M N 1.369 120.953 119.600 -0.027 0.000 2.213 206 M HA 0.009 4.489 4.480 -0.000 0.000 0.263 206 M C 2.535 178.826 176.300 -0.015 0.000 1.062 206 M CA 1.079 56.367 55.300 -0.020 0.000 1.105 206 M CB -1.588 30.994 32.600 -0.030 0.000 1.385 206 M HN 0.119 nan 8.290 nan 0.000 0.417 207 S N 0.867 116.556 115.700 -0.018 0.000 2.368 207 S HA -0.054 4.416 4.470 -0.000 0.000 0.225 207 S C 2.066 176.665 174.600 -0.001 0.000 1.030 207 S CA 1.313 59.506 58.200 -0.012 0.000 0.999 207 S CB -0.300 62.891 63.200 -0.014 0.000 0.844 207 S HN 0.591 nan 8.310 nan 0.000 0.459 208 A N 1.299 124.120 122.820 0.001 0.000 1.968 208 A HA 0.251 4.571 4.320 -0.000 0.000 0.217 208 A C 2.259 179.860 177.584 0.028 0.000 1.169 208 A CA 1.360 53.403 52.037 0.009 0.000 0.638 208 A CB -0.846 18.156 19.000 0.004 0.000 0.812 208 A HN 0.496 nan 8.150 nan 0.000 0.446 209 A N -0.213 122.631 122.820 0.039 0.000 2.131 209 A HA -0.006 4.314 4.320 -0.000 0.000 0.220 209 A C 1.919 179.569 177.584 0.110 0.000 1.158 209 A CA 1.169 53.263 52.037 0.095 0.000 0.665 209 A CB -0.603 18.458 19.000 0.101 0.000 0.795 209 A HN 0.494 nan 8.150 nan 0.000 0.460 210 L N -1.274 119.977 121.223 0.045 0.000 2.456 210 L HA -0.125 4.215 4.340 -0.000 0.000 0.224 210 L C 2.056 178.958 176.870 0.054 0.000 1.148 210 L CA 1.098 55.957 54.840 0.033 0.000 0.825 210 L CB -0.232 41.831 42.059 0.007 0.000 0.937 210 L HN 0.338 nan 8.230 nan 0.000 0.450 211 K N -0.098 120.335 120.400 0.056 0.000 2.459 211 K HA 0.165 4.485 4.320 -0.000 0.000 0.193 211 K C 0.305 176.941 176.600 0.061 0.000 1.030 211 K CA 0.270 56.584 56.287 0.046 0.000 1.026 211 K CB 0.318 32.834 32.500 0.026 0.000 0.809 211 K HN 0.232 nan 8.250 nan 0.000 0.504 212 I N 2.784 123.417 120.570 0.105 0.000 2.321 212 I HA 0.171 4.341 4.170 -0.000 0.000 0.291 212 I C -2.423 173.811 176.117 0.195 0.000 0.998 212 I CA -2.742 58.611 61.300 0.089 0.000 1.227 212 I CB 1.292 39.296 38.000 0.007 0.000 1.368 212 I HN -0.269 nan 8.210 nan 0.000 0.466 213 P HA 0.124 nan 4.420 nan 0.000 0.274 213 P C -0.939 176.496 177.300 0.226 0.000 1.291 213 P CA -0.092 63.121 63.100 0.188 0.000 0.815 213 P CB -0.006 31.774 31.700 0.133 0.000 0.897 214 H N 2.671 121.805 119.070 0.107 0.000 2.690 214 H HA 0.317 4.873 4.556 0.000 0.000 0.314 214 H C -0.377 175.050 175.328 0.165 0.000 1.069 214 H CA 0.083 56.194 56.048 0.104 0.000 1.436 214 H CB -0.075 29.712 29.762 0.042 0.000 1.462 214 H HN 0.318 nan 8.280 nan 0.000 0.511 215 F N 2.484 122.458 119.950 0.040 0.000 2.421 215 F HA 0.608 5.135 4.527 0.000 0.000 0.337 215 F C 0.285 176.090 175.800 0.008 0.000 1.105 215 F CA -0.677 57.294 58.000 -0.047 0.000 1.049 215 F CB 1.262 40.006 39.000 -0.426 0.000 1.139 215 F HN 0.527 nan 8.300 nan 0.000 0.479 216 G N 4.577 112.924 108.800 -0.754 0.000 2.461 216 G HA2 0.475 4.435 3.960 -0.000 0.000 0.323 216 G HA3 0.475 4.435 3.960 -0.000 0.000 0.323 216 G C -2.560 171.871 174.900 -0.781 0.000 1.229 216 G CA -0.579 44.197 45.100 -0.540 0.000 0.941 216 G HN 0.781 nan 8.290 nan 0.000 0.477 217 Y N 0.903 120.935 120.300 -0.447 0.000 2.457 217 Y HA 0.624 5.174 4.550 -0.000 0.000 0.343 217 Y C -0.687 175.227 175.900 0.024 0.000 0.994 217 Y CA -1.179 56.801 58.100 -0.201 0.000 1.031 217 Y CB 1.689 40.150 38.460 0.001 0.000 1.246 217 Y HN 0.676 nan 8.280 nan 0.000 0.449 218 C N 4.446 123.398 119.300 -0.580 0.000 2.889 218 C HA 0.725 5.185 4.460 -0.000 0.000 0.307 218 C C -1.061 173.716 174.990 -0.356 0.000 1.251 218 C CA -0.540 58.289 59.018 -0.316 0.000 1.593 218 C CB 1.905 29.397 27.740 -0.412 0.000 2.104 218 C HN 0.910 nan 8.230 nan 0.000 0.476 219 D N -0.206 120.215 120.400 0.036 0.000 2.626 219 D HA 0.443 5.083 4.640 -0.000 0.000 0.278 219 D C -1.421 174.993 176.300 0.191 0.000 1.211 219 D CA -0.281 53.771 54.000 0.086 0.000 0.903 219 D CB 1.878 42.774 40.800 0.160 0.000 1.408 219 D HN 0.798 nan 8.370 nan 0.000 0.454 220 E N -0.043 120.233 120.200 0.128 0.000 2.195 220 E HA 0.632 4.982 4.350 -0.000 0.000 0.271 220 E C -1.270 175.364 176.600 0.057 0.000 0.923 220 E CA -0.816 55.618 56.400 0.057 0.000 0.790 220 E CB 1.911 31.627 29.700 0.026 0.000 1.155 220 E HN 0.059 nan 8.360 nan 0.000 0.402 221 V N 2.216 122.139 119.914 0.016 0.000 2.604 221 V HA 0.211 4.331 4.120 -0.000 0.000 0.305 221 V C -0.667 175.399 176.094 -0.047 0.000 1.043 221 V CA -0.944 61.356 62.300 0.001 0.000 0.888 221 V CB 1.762 33.576 31.823 -0.016 0.000 0.995 221 V HN 0.819 nan 8.190 nan 0.000 0.429 222 D N 3.746 124.117 120.400 -0.048 0.000 2.380 222 D HA 0.286 4.926 4.640 -0.000 0.000 0.230 222 D C 0.377 176.631 176.300 -0.077 0.000 1.154 222 D CA 0.003 53.968 54.000 -0.058 0.000 0.859 222 D CB 1.256 42.030 40.800 -0.043 0.000 1.045 222 D HN 0.475 nan 8.370 nan 0.000 0.495 223 L N 3.215 124.387 121.223 -0.085 0.000 2.667 223 L HA 0.033 4.373 4.340 -0.000 0.000 0.232 223 L C 1.863 178.693 176.870 -0.066 0.000 1.138 223 L CA -0.018 54.769 54.840 -0.089 0.000 0.921 223 L CB 0.121 42.102 42.059 -0.129 0.000 1.180 223 L HN 0.348 nan 8.230 nan 0.000 0.487 224 T N -0.300 114.219 114.554 -0.059 0.000 2.665 224 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 224 T C 1.707 176.385 174.700 -0.037 0.000 1.035 224 T CA 1.699 63.774 62.100 -0.041 0.000 1.151 224 T CB 0.040 68.885 68.868 -0.038 0.000 0.862 224 T HN 0.210 nan 8.240 nan 0.000 0.438 225 E N 0.855 121.023 120.200 -0.052 0.000 2.051 225 E HA -0.012 4.338 4.350 -0.000 0.000 0.192 225 E C 2.024 178.583 176.600 -0.068 0.000 0.991 225 E CA 0.788 57.153 56.400 -0.058 0.000 0.799 225 E CB -0.620 29.035 29.700 -0.075 0.000 0.748 225 E HN 0.376 nan 8.360 nan 0.000 0.449 226 L N -0.293 120.883 121.223 -0.079 0.000 2.083 226 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 226 L C 2.088 178.937 176.870 -0.035 0.000 1.083 226 L CA 0.936 55.704 54.840 -0.120 0.000 0.752 226 L CB -0.160 41.839 42.059 -0.100 0.000 0.899 226 L HN 0.116 nan 8.230 nan 0.000 0.433 227 V N 0.281 120.246 119.914 0.085 0.000 2.295 227 V HA -0.323 3.797 4.120 -0.000 0.000 0.246 227 V C 2.575 178.684 176.094 0.026 0.000 1.049 227 V CA 2.175 64.578 62.300 0.172 0.000 1.024 227 V CB -0.656 31.248 31.823 0.134 0.000 0.648 227 V HN 0.506 nan 8.190 nan 0.000 0.447 228 K N 0.393 120.787 120.400 -0.010 0.000 2.025 228 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 228 K C 2.269 178.839 176.600 -0.049 0.000 1.049 228 K CA 1.876 58.148 56.287 -0.025 0.000 0.933 228 K CB -0.340 32.147 32.500 -0.021 0.000 0.714 228 K HN 0.366 nan 8.250 nan 0.000 0.438 229 L N 1.975 123.152 121.223 -0.076 0.000 2.079 229 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 229 L C 2.466 179.269 176.870 -0.112 0.000 1.081 229 L CA 1.801 56.588 54.840 -0.088 0.000 0.752 229 L CB -0.863 41.129 42.059 -0.113 0.000 0.896 229 L HN 0.216 nan 8.230 nan 0.000 0.433 230 R N -0.615 119.757 120.500 -0.213 0.000 2.066 230 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 230 R C 2.077 178.302 176.300 -0.125 0.000 1.131 230 R CA 1.328 57.287 56.100 -0.234 0.000 0.955 230 R CB -0.242 29.748 30.300 -0.517 0.000 0.851 230 R HN 0.398 nan 8.270 nan 0.000 0.432 231 E N 0.993 121.130 120.200 -0.104 0.000 2.187 231 E HA -0.237 4.113 4.350 -0.000 0.000 0.199 231 E C 1.666 178.245 176.600 -0.035 0.000 1.004 231 E CA 1.879 58.242 56.400 -0.062 0.000 0.813 231 E CB -0.100 29.577 29.700 -0.039 0.000 0.736 231 E HN 0.710 nan 8.360 nan 0.000 0.468 232 E N -0.182 120.004 120.200 -0.023 0.000 2.385 232 E HA -0.016 4.334 4.350 -0.000 0.000 0.194 232 E C 1.999 178.610 176.600 0.018 0.000 1.013 232 E CA 0.154 56.552 56.400 -0.003 0.000 0.866 232 E CB -0.097 29.602 29.700 -0.002 0.000 0.832 232 E HN 0.227 nan 8.360 nan 0.000 0.500 233 L N 0.548 121.792 121.223 0.036 0.000 2.354 233 L HA 0.110 4.450 4.340 -0.000 0.000 0.212 233 L C 2.546 179.459 176.870 0.070 0.000 1.091 233 L CA 0.197 55.080 54.840 0.073 0.000 0.828 233 L CB -0.166 41.981 42.059 0.147 0.000 0.973 233 L HN 0.019 nan 8.230 nan 0.000 0.461 234 K N 0.851 121.274 120.400 0.039 0.000 2.030 234 K HA -0.243 4.077 4.320 -0.000 0.000 0.222 234 K C -0.546 176.102 176.600 0.081 0.000 1.056 234 K CA 2.472 58.781 56.287 0.037 0.000 0.957 234 K CB -0.911 31.573 32.500 -0.026 0.000 0.727 234 K HN 0.157 nan 8.250 nan 0.000 0.452 235 P HA -0.175 nan 4.420 nan 0.000 0.215 235 P C 1.109 178.479 177.300 0.117 0.000 1.153 235 P CA 1.191 64.336 63.100 0.075 0.000 0.853 235 P CB -0.117 31.598 31.700 0.026 0.000 0.788 236 I N -0.002 120.615 120.570 0.077 0.000 2.179 236 I HA -0.180 3.990 4.170 -0.000 0.000 0.242 236 I C 2.331 178.495 176.117 0.078 0.000 1.088 236 I CA 1.268 62.597 61.300 0.049 0.000 1.357 236 I CB -2.259 35.747 38.000 0.009 0.000 1.051 236 I HN -0.094 nan 8.210 nan 0.000 0.409 237 A N 0.454 123.358 122.820 0.140 0.000 1.877 237 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 237 A C 2.348 180.053 177.584 0.201 0.000 1.186 237 A CA 1.343 53.514 52.037 0.223 0.000 0.620 237 A CB -1.205 17.931 19.000 0.226 0.000 0.822 237 A HN 0.339 nan 8.150 nan 0.000 0.443 238 F N 0.871 120.852 119.950 0.052 0.000 2.126 238 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 238 F C 2.544 178.363 175.800 0.033 0.000 1.096 238 F CA 1.252 59.273 58.000 0.035 0.000 1.255 238 F CB -0.244 38.765 39.000 0.016 0.000 0.997 238 F HN 0.248 nan 8.300 nan 0.000 0.479 239 A N 0.039 122.963 122.820 0.173 0.000 2.015 239 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 239 A C 2.117 179.702 177.584 0.001 0.000 1.163 239 A CA 1.212 53.295 52.037 0.075 0.000 0.646 239 A CB -0.530 18.513 19.000 0.072 0.000 0.806 239 A HN 0.423 nan 8.150 nan 0.000 0.448 240 R N -1.221 119.291 120.500 0.020 0.000 2.317 240 R HA 0.208 4.548 4.340 -0.000 0.000 0.208 240 R C 0.913 177.229 176.300 0.028 0.000 0.914 240 R CA 0.551 56.671 56.100 0.034 0.000 1.060 240 R CB -0.012 30.332 30.300 0.075 0.000 1.015 240 R HN 0.674 nan 8.270 nan 0.000 0.498 241 G N 1.702 110.445 108.800 -0.094 0.000 2.165 241 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.226 241 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.226 241 G C -0.232 174.580 174.900 -0.147 0.000 1.035 241 G CA -0.437 44.548 45.100 -0.193 0.000 0.744 241 G HN 0.143 nan 8.290 nan 0.000 0.501 242 I N -0.095 120.419 120.570 -0.093 0.000 2.534 242 I HA 0.356 4.526 4.170 -0.000 0.000 0.288 242 I C 0.164 176.294 176.117 0.022 0.000 1.077 242 I CA -1.358 59.921 61.300 -0.036 0.000 1.051 242 I CB 1.833 39.836 38.000 0.005 0.000 1.234 242 I HN 0.038 nan 8.210 nan 0.000 0.425 243 K N 4.968 125.377 120.400 0.014 0.000 2.312 243 K HA 0.372 4.692 4.320 -0.000 0.000 0.287 243 K C -0.604 176.009 176.600 0.022 0.000 1.062 243 K CA -0.605 55.725 56.287 0.073 0.000 0.934 243 K CB 1.301 33.842 32.500 0.068 0.000 1.027 243 K HN 0.286 nan 8.250 nan 0.000 0.478 244 L N 3.618 124.862 121.223 0.035 0.000 2.264 244 L HA 0.184 4.524 4.340 -0.000 0.000 0.287 244 L C 0.142 176.975 176.870 -0.063 0.000 1.039 244 L CA 0.196 55.030 54.840 -0.010 0.000 0.829 244 L CB 0.745 42.824 42.059 0.033 0.000 1.211 244 L HN 0.715 nan 8.230 nan 0.000 0.427 245 S N 3.559 119.214 115.700 -0.075 0.000 2.521 245 S HA 0.432 4.902 4.470 -0.000 0.000 0.278 245 S C 0.881 175.362 174.600 -0.198 0.000 1.140 245 S CA -0.265 57.852 58.200 -0.139 0.000 1.028 245 S CB 0.112 63.311 63.200 -0.002 0.000 1.203 245 S HN 0.434 nan 8.310 nan 0.000 0.491 246 F N 0.135 120.016 119.950 -0.116 0.000 2.569 246 F HA 0.270 4.797 4.527 -0.000 0.000 0.295 246 F C 2.440 177.879 175.800 -0.601 0.000 1.115 246 F CA 0.040 57.821 58.000 -0.366 0.000 1.450 246 F CB -0.267 38.315 39.000 -0.696 0.000 1.107 246 F HN 0.245 nan 8.300 nan 0.000 0.563 247 M N 0.414 119.925 119.600 -0.148 0.000 2.149 247 M HA -0.116 4.364 4.480 -0.000 0.000 0.261 247 M C -0.646 175.686 176.300 0.053 0.000 1.064 247 M CA 1.802 57.099 55.300 -0.007 0.000 1.102 247 M CB -2.133 30.545 32.600 0.129 0.000 1.369 247 M HN -0.036 nan 8.290 nan 0.000 0.408 248 P HA -0.088 nan 4.420 nan 0.000 0.221 248 P C 1.346 178.581 177.300 -0.109 0.000 1.150 248 P CA 1.164 64.202 63.100 -0.104 0.000 0.800 248 P CB -0.270 31.270 31.700 -0.266 0.000 0.787 249 F N -1.960 117.967 119.950 -0.039 0.000 2.163 249 F HA -0.089 4.438 4.527 -0.000 0.000 0.297 249 F C 2.063 177.999 175.800 0.225 0.000 1.094 249 F CA 0.910 58.931 58.000 0.035 0.000 1.290 249 F CB -1.200 37.793 39.000 -0.012 0.000 1.017 249 F HN -0.182 nan 8.300 nan 0.000 0.483 250 F N 0.450 120.643 119.950 0.405 0.000 2.126 250 F HA -0.174 4.353 4.527 -0.000 0.000 0.299 250 F C 2.217 178.344 175.800 0.545 0.000 1.096 250 F CA 0.861 59.154 58.000 0.489 0.000 1.255 250 F CB -1.603 37.727 39.000 0.549 0.000 0.997 250 F HN -0.046 nan 8.300 nan 0.000 0.479 251 L N -0.517 121.035 121.223 0.548 0.000 2.056 251 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 251 L C 2.491 179.560 176.870 0.332 0.000 1.078 251 L CA 1.276 56.366 54.840 0.417 0.000 0.749 251 L CB -0.592 41.632 42.059 0.275 0.000 0.901 251 L HN -0.021 nan 8.230 nan 0.000 0.433 252 K N 0.472 121.008 120.400 0.227 0.000 2.097 252 K HA -0.090 4.230 4.320 -0.000 0.000 0.205 252 K C 2.034 178.721 176.600 0.144 0.000 1.050 252 K CA 1.448 57.816 56.287 0.135 0.000 0.938 252 K CB -0.339 32.180 32.500 0.033 0.000 0.718 252 K HN 0.230 nan 8.250 nan 0.000 0.442 253 A N 0.316 123.268 122.820 0.220 0.000 1.930 253 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 253 A C 2.319 180.215 177.584 0.519 0.000 1.175 253 A CA 1.882 54.046 52.037 0.211 0.000 0.627 253 A CB -0.910 18.152 19.000 0.103 0.000 0.815 253 A HN 0.383 nan 8.150 nan 0.000 0.443 254 A N -0.790 122.445 122.820 0.691 0.000 1.855 254 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 254 A C 2.474 180.217 177.584 0.265 0.000 1.191 254 A CA 2.106 54.472 52.037 0.548 0.000 0.613 254 A CB -1.145 18.167 19.000 0.521 0.000 0.829 254 A HN 0.563 nan 8.150 nan 0.000 0.442 255 S N -0.422 115.411 115.700 0.222 0.000 2.372 255 S HA -0.185 4.285 4.470 -0.000 0.000 0.227 255 S C 1.947 176.693 174.600 0.243 0.000 1.044 255 S CA 1.804 60.136 58.200 0.220 0.000 1.050 255 S CB -0.548 62.847 63.200 0.326 0.000 0.901 255 S HN 0.460 nan 8.310 nan 0.000 0.447 256 L N 0.692 122.026 121.223 0.184 0.000 2.027 256 L HA 0.014 4.354 4.340 -0.000 0.000 0.206 256 L C 2.891 179.943 176.870 0.304 0.000 1.074 256 L CA 1.191 56.121 54.840 0.150 0.000 0.745 256 L CB -1.134 40.833 42.059 -0.154 0.000 0.898 256 L HN 0.483 nan 8.230 nan 0.000 0.433 257 G N 0.124 109.159 108.800 0.391 0.000 2.505 257 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.220 257 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.220 257 G C 1.459 176.699 174.900 0.567 0.000 1.145 257 G CA 0.655 46.045 45.100 0.483 0.000 0.761 257 G HN 0.140 nan 8.290 nan 0.000 0.571 258 L N 0.291 121.699 121.223 0.309 0.000 2.291 258 L HA 0.213 4.553 4.340 -0.000 0.000 0.214 258 L C 2.808 179.760 176.870 0.136 0.000 1.120 258 L CA 0.619 55.474 54.840 0.025 0.000 0.799 258 L CB -0.799 40.926 42.059 -0.557 0.000 0.925 258 L HN 0.213 nan 8.230 nan 0.000 0.446 259 L N -1.211 120.155 121.223 0.239 0.000 2.083 259 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 259 L C 2.443 179.350 176.870 0.062 0.000 1.083 259 L CA 0.957 55.911 54.840 0.190 0.000 0.752 259 L CB -0.262 41.897 42.059 0.167 0.000 0.899 259 L HN 0.321 nan 8.230 nan 0.000 0.433 260 Q N -0.987 118.825 119.800 0.020 0.000 2.302 260 Q HA 0.060 4.400 4.340 -0.000 0.000 0.202 260 Q C 0.028 175.682 176.000 -0.577 0.000 0.936 260 Q CA 0.867 56.501 55.803 -0.282 0.000 0.886 260 Q CB 0.381 28.909 28.738 -0.350 0.000 0.986 260 Q HN 0.347 nan 8.270 nan 0.000 0.487 261 F N 1.075 121.077 119.950 0.087 0.000 2.523 261 F HA 0.289 4.816 4.527 -0.000 0.000 0.322 261 F C -1.594 174.192 175.800 -0.023 0.000 1.361 261 F CA -1.995 56.021 58.000 0.026 0.000 1.151 261 F CB 1.330 40.337 39.000 0.012 0.000 1.391 261 F HN -0.063 nan 8.300 nan 0.000 0.566 262 P HA -0.158 nan 4.420 nan 0.000 0.225 262 P C 1.927 179.355 177.300 0.214 0.000 1.148 262 P CA 1.162 64.366 63.100 0.172 0.000 0.779 262 P CB 0.598 32.415 31.700 0.195 0.000 0.780 263 I N -0.626 120.086 120.570 0.236 0.000 2.700 263 I HA -0.156 4.014 4.170 -0.000 0.000 0.261 263 I C 1.889 177.963 176.117 -0.071 0.000 1.219 263 I CA 0.799 62.150 61.300 0.084 0.000 1.463 263 I CB -0.133 37.946 38.000 0.132 0.000 1.092 263 I HN -0.155 nan 8.210 nan 0.000 0.452 264 L N 0.039 121.201 121.223 -0.101 0.000 2.478 264 L HA -0.058 4.282 4.340 -0.000 0.000 0.223 264 L C 0.664 177.475 176.870 -0.099 0.000 1.140 264 L CA 0.518 55.241 54.840 -0.195 0.000 0.842 264 L CB -0.526 41.233 42.059 -0.500 0.000 0.953 264 L HN 0.238 nan 8.230 nan 0.000 0.452 265 N N 0.709 119.357 118.700 -0.085 0.000 2.990 265 N HA 0.488 5.228 4.740 -0.000 0.000 0.288 265 N C -0.729 174.783 175.510 0.002 0.000 1.624 265 N CA -0.050 52.985 53.050 -0.025 0.000 0.961 265 N CB 0.562 39.010 38.487 -0.065 0.000 1.259 265 N HN 0.171 nan 8.380 nan 0.000 0.489 266 A N -0.146 122.647 122.820 -0.045 0.000 2.588 266 A HA 0.842 5.162 4.320 -0.000 0.000 0.290 266 A C -1.101 176.422 177.584 -0.103 0.000 1.136 266 A CA -0.620 51.342 52.037 -0.125 0.000 0.681 266 A CB 1.236 20.030 19.000 -0.343 0.000 1.282 266 A HN 0.216 nan 8.150 nan 0.000 0.421 267 S N -1.094 114.533 115.700 -0.121 0.000 2.595 267 S HA 0.747 5.217 4.470 -0.000 0.000 0.281 267 S C -0.507 174.032 174.600 -0.101 0.000 1.117 267 S CA -0.112 58.037 58.200 -0.085 0.000 0.873 267 S CB 1.687 64.862 63.200 -0.042 0.000 1.108 267 S HN 1.848 nan 8.310 nan 0.000 0.477 268 V N -0.555 119.314 119.914 -0.074 0.000 2.881 268 V HA 0.783 4.903 4.120 -0.000 0.000 0.316 268 V C -0.548 175.525 176.094 -0.036 0.000 1.070 268 V CA -1.075 61.189 62.300 -0.061 0.000 0.976 268 V CB 1.340 33.128 31.823 -0.058 0.000 1.038 268 V HN 0.902 nan 8.190 nan 0.000 0.446 269 D N 0.661 121.045 120.400 -0.026 0.000 2.411 269 D HA 0.151 4.791 4.640 -0.000 0.000 0.251 269 D C 0.942 177.234 176.300 -0.013 0.000 1.201 269 D CA -0.047 53.944 54.000 -0.015 0.000 0.996 269 D CB 0.806 41.601 40.800 -0.009 0.000 1.101 269 D HN 0.782 nan 8.370 nan 0.000 0.504 270 E N 0.041 120.237 120.200 -0.008 0.000 2.086 270 E HA -0.306 4.044 4.350 -0.000 0.000 0.205 270 E C 0.927 177.523 176.600 -0.006 0.000 1.027 270 E CA 2.159 58.556 56.400 -0.005 0.000 0.830 270 E CB -0.285 29.414 29.700 -0.003 0.000 0.751 270 E HN 0.588 nan 8.360 nan 0.000 0.456 271 N N -1.525 117.171 118.700 -0.006 0.000 2.336 271 N HA 0.063 4.803 4.740 -0.000 0.000 0.189 271 N C -0.429 175.075 175.510 -0.009 0.000 1.113 271 N CA 0.478 53.525 53.050 -0.006 0.000 0.858 271 N CB 0.384 38.868 38.487 -0.005 0.000 0.970 271 N HN 0.206 nan 8.380 nan 0.000 0.471 272 C N 1.076 120.368 119.300 -0.013 0.000 4.545 272 C HA -0.164 4.296 4.460 -0.000 0.000 0.300 272 C C 1.378 176.360 174.990 -0.015 0.000 1.337 272 C CA 0.313 59.321 59.018 -0.018 0.000 2.032 272 C CB -2.210 25.518 27.740 -0.019 0.000 1.236 272 C HN 0.528 nan 8.230 nan 0.000 0.774 273 Q N -0.615 119.179 119.800 -0.010 0.000 2.391 273 Q HA 0.158 4.498 4.340 -0.000 0.000 0.211 273 Q C 0.339 176.338 176.000 -0.002 0.000 0.908 273 Q CA 0.725 56.525 55.803 -0.005 0.000 0.920 273 Q CB 0.250 28.987 28.738 -0.002 0.000 1.056 273 Q HN 0.884 nan 8.270 nan 0.000 0.523 274 N N 0.528 119.224 118.700 -0.007 0.000 2.260 274 N HA 0.426 5.166 4.740 -0.000 0.000 0.293 274 N C -1.557 173.939 175.510 -0.024 0.000 1.058 274 N CA -0.485 52.564 53.050 -0.001 0.000 0.824 274 N CB 2.663 41.154 38.487 0.007 0.000 1.551 274 N HN 0.058 nan 8.380 nan 0.000 0.475 275 I N 0.225 120.778 120.570 -0.029 0.000 2.441 275 I HA 0.556 4.726 4.170 -0.000 0.000 0.295 275 I C -1.038 175.020 176.117 -0.098 0.000 0.994 275 I CA -0.300 60.929 61.300 -0.118 0.000 1.144 275 I CB 1.450 39.303 38.000 -0.246 0.000 1.314 275 I HN 0.399 nan 8.210 nan 0.000 0.445 276 T N 6.831 121.309 114.554 -0.127 0.000 2.801 276 T HA 0.386 4.736 4.350 -0.000 0.000 0.306 276 T C -0.774 173.865 174.700 -0.102 0.000 1.020 276 T CA -0.052 62.026 62.100 -0.037 0.000 0.948 276 T CB -0.021 68.845 68.868 -0.003 0.000 0.962 276 T HN 0.341 nan 8.240 nan 0.000 0.465 277 Y N 2.815 123.126 120.300 0.018 0.000 2.465 277 Y HA 0.235 4.785 4.550 0.000 0.000 0.331 277 Y C 1.151 177.072 175.900 0.034 0.000 1.102 277 Y CA -0.288 57.826 58.100 0.024 0.000 1.358 277 Y CB 0.423 38.895 38.460 0.020 0.000 1.213 277 Y HN 0.320 nan 8.280 nan 0.000 0.525 278 K N 2.408 122.900 120.400 0.154 0.000 2.213 278 K HA 0.520 4.840 4.320 -0.000 0.000 0.270 278 K C 0.523 177.218 176.600 0.159 0.000 1.002 278 K CA -0.313 56.052 56.287 0.132 0.000 0.868 278 K CB 1.674 34.235 32.500 0.102 0.000 1.093 278 K HN 0.790 nan 8.250 nan 0.000 0.454 279 A N 2.517 125.407 122.820 0.116 0.000 1.930 279 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 279 A C 0.870 178.487 177.584 0.055 0.000 1.175 279 A CA 1.048 53.133 52.037 0.079 0.000 0.627 279 A CB 0.042 19.063 19.000 0.034 0.000 0.815 279 A HN 0.589 nan 8.150 nan 0.000 0.443 280 S N 0.078 115.826 115.700 0.080 0.000 2.548 280 S HA 0.276 4.746 4.470 -0.000 0.000 0.277 280 S C -0.390 174.340 174.600 0.216 0.000 1.315 280 S CA -0.300 57.941 58.200 0.068 0.000 1.050 280 S CB 0.008 63.247 63.200 0.065 0.000 0.918 280 S HN 0.565 nan 8.310 nan 0.000 0.497 281 H N 3.037 122.142 119.070 0.058 0.000 2.788 281 H HA 0.206 4.762 4.556 -0.000 0.000 0.254 281 H C -0.463 174.921 175.328 0.094 0.000 1.541 281 H CA -0.742 55.350 56.048 0.073 0.000 1.295 281 H CB -0.022 29.777 29.762 0.062 0.000 1.592 281 H HN 0.346 nan 8.280 nan 0.000 0.545 282 N N 4.038 122.867 118.700 0.216 0.000 2.602 282 N HA 0.145 4.885 4.740 -0.000 0.000 0.238 282 N C -0.289 175.334 175.510 0.188 0.000 1.084 282 N CA -0.112 53.036 53.050 0.164 0.000 0.952 282 N CB 0.692 39.253 38.487 0.122 0.000 1.244 282 N HN 0.523 nan 8.380 nan 0.000 0.512 283 I N 0.615 121.312 120.570 0.211 0.000 2.312 283 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 283 I C 1.339 177.564 176.117 0.181 0.000 1.031 283 I CA -0.814 60.640 61.300 0.257 0.000 1.293 283 I CB 0.769 38.970 38.000 0.334 0.000 1.403 283 I HN 0.257 nan 8.210 nan 0.000 0.484 284 G N 7.597 116.481 108.800 0.141 0.000 2.398 284 G HA2 0.343 4.303 3.960 -0.000 0.000 0.246 284 G HA3 0.343 4.303 3.960 -0.000 0.000 0.246 284 G C -0.180 174.774 174.900 0.090 0.000 1.289 284 G CA -0.360 44.795 45.100 0.091 0.000 0.869 284 G HN 0.459 nan 8.290 nan 0.000 0.543 285 I N 1.985 122.605 120.570 0.083 0.000 2.390 285 I HA 0.320 4.490 4.170 -0.000 0.000 0.283 285 I C 0.666 176.823 176.117 0.067 0.000 1.016 285 I CA -1.272 60.080 61.300 0.086 0.000 1.151 285 I CB 0.784 38.837 38.000 0.087 0.000 1.293 285 I HN 0.532 nan 8.210 nan 0.000 0.458 286 A N 8.561 131.416 122.820 0.057 0.000 2.451 286 A HA 0.588 4.908 4.320 -0.000 0.000 0.266 286 A C 0.167 177.785 177.584 0.057 0.000 1.119 286 A CA -0.228 51.838 52.037 0.049 0.000 0.786 286 A CB 0.145 19.162 19.000 0.028 0.000 1.061 286 A HN 0.807 nan 8.150 nan 0.000 0.503 287 M N 2.394 122.030 119.600 0.061 0.000 2.204 287 M HA 0.512 4.992 4.480 -0.000 0.000 0.293 287 M C -1.059 175.275 176.300 0.057 0.000 0.994 287 M CA -0.652 54.682 55.300 0.056 0.000 0.925 287 M CB 1.734 34.363 32.600 0.049 0.000 1.577 287 M HN 0.470 nan 8.290 nan 0.000 0.439 288 D N 3.555 123.985 120.400 0.051 0.000 2.401 288 D HA 0.375 5.015 4.640 -0.000 0.000 0.254 288 D C -0.383 175.941 176.300 0.041 0.000 1.192 288 D CA 0.807 54.837 54.000 0.051 0.000 0.885 288 D CB 0.983 41.809 40.800 0.044 0.000 1.147 288 D HN 0.846 nan 8.370 nan 0.000 0.478 289 T N 0.000 114.580 114.554 0.043 0.000 2.831 289 T HA 0.364 4.714 4.350 -0.000 0.000 0.287 289 T C 0.859 175.578 174.700 0.031 0.000 1.070 289 T CA -0.764 61.349 62.100 0.021 0.000 1.010 289 T CB 1.089 69.948 68.868 -0.015 0.000 1.264 289 T HN 0.317 nan 8.240 nan 0.000 0.532 290 E N 0.186 120.395 120.200 0.015 0.000 2.418 290 E HA -0.047 4.303 4.350 -0.000 0.000 0.197 290 E C 1.041 177.666 176.600 0.042 0.000 1.026 290 E CA 0.483 56.899 56.400 0.026 0.000 0.862 290 E CB 0.105 29.814 29.700 0.014 0.000 0.799 290 E HN 0.458 nan 8.360 nan 0.000 0.518 291 Q N -0.004 119.807 119.800 0.018 0.000 2.212 291 Q HA 0.199 4.539 4.340 -0.000 0.000 0.213 291 Q C 0.923 177.021 176.000 0.163 0.000 0.874 291 Q CA 0.410 56.243 55.803 0.051 0.000 0.965 291 Q CB 0.590 29.260 28.738 -0.113 0.000 1.074 291 Q HN 0.208 nan 8.270 nan 0.000 0.473 292 G N 2.087 110.988 108.800 0.168 0.000 2.575 292 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 292 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 292 G C -0.649 174.378 174.900 0.211 0.000 1.264 292 G CA 0.046 45.264 45.100 0.195 0.000 0.935 292 G HN 0.443 nan 8.290 nan 0.000 0.568 293 L N 0.067 121.450 121.223 0.268 0.000 2.322 293 L HA 0.924 5.264 4.340 -0.000 0.000 0.281 293 L C -0.221 176.808 176.870 0.265 0.000 1.014 293 L CA -0.809 54.134 54.840 0.172 0.000 0.815 293 L CB 1.479 43.607 42.059 0.114 0.000 1.247 293 L HN 1.028 nan 8.230 nan 0.000 0.421 294 I N 4.175 124.861 120.570 0.193 0.000 2.865 294 I HA 0.621 4.791 4.170 -0.000 0.000 0.302 294 I C -1.293 174.905 176.117 0.135 0.000 1.140 294 I CA -0.754 60.690 61.300 0.240 0.000 1.021 294 I CB 2.469 40.563 38.000 0.156 0.000 1.233 294 I HN 0.387 nan 8.210 nan 0.000 0.427 295 V N 7.308 127.299 119.914 0.128 0.000 2.266 295 V HA 0.400 4.520 4.120 -0.000 0.000 0.266 295 V C -2.247 173.891 176.094 0.073 0.000 1.036 295 V CA -1.097 61.252 62.300 0.082 0.000 0.828 295 V CB 0.254 32.113 31.823 0.060 0.000 1.081 295 V HN 0.580 nan 8.190 nan 0.000 0.449 296 P HA 0.424 nan 4.420 nan 0.000 0.279 296 P C -0.989 176.348 177.300 0.061 0.000 1.276 296 P CA -0.410 62.723 63.100 0.055 0.000 0.801 296 P CB 1.278 33.002 31.700 0.040 0.000 1.127 297 N N -2.184 116.553 118.700 0.061 0.000 2.321 297 N HA 0.423 5.163 4.740 -0.000 0.000 0.290 297 N C -1.497 174.055 175.510 0.070 0.000 1.212 297 N CA -1.013 52.082 53.050 0.076 0.000 0.767 297 N CB 1.089 39.628 38.487 0.086 0.000 1.494 297 N HN -0.027 nan 8.380 nan 0.000 0.479 298 V N 1.440 121.405 119.914 0.085 0.000 2.348 298 V HA 0.270 4.390 4.120 -0.000 0.000 0.270 298 V C 0.062 176.204 176.094 0.080 0.000 1.037 298 V CA -0.853 61.489 62.300 0.070 0.000 0.872 298 V CB 0.486 32.353 31.823 0.074 0.000 1.002 298 V HN 0.578 nan 8.190 nan 0.000 0.464 299 K N 4.405 124.841 120.400 0.060 0.000 2.451 299 K HA 0.098 4.418 4.320 -0.000 0.000 0.280 299 K C 0.452 177.088 176.600 0.060 0.000 1.020 299 K CA 0.150 56.474 56.287 0.060 0.000 1.008 299 K CB 0.012 32.537 32.500 0.041 0.000 0.917 299 K HN 0.727 nan 8.250 nan 0.000 0.478 300 N N 1.306 120.049 118.700 0.072 0.000 2.699 300 N HA -0.151 4.589 4.740 -0.000 0.000 0.257 300 N C 0.602 176.139 175.510 0.045 0.000 1.077 300 N CA 0.412 53.486 53.050 0.040 0.000 0.702 300 N CB -1.381 37.114 38.487 0.014 0.000 0.886 300 N HN 0.315 nan 8.380 nan 0.000 0.549 301 V N 0.508 120.482 119.914 0.100 0.000 2.809 301 V HA -0.239 3.881 4.120 -0.000 0.000 0.256 301 V C 2.497 178.636 176.094 0.075 0.000 1.080 301 V CA 2.067 64.432 62.300 0.107 0.000 1.102 301 V CB -0.094 31.836 31.823 0.178 0.000 0.705 301 V HN 0.588 nan 8.190 nan 0.000 0.475 302 Q N 1.624 121.437 119.800 0.021 0.000 2.291 302 Q HA -0.149 4.191 4.340 -0.000 0.000 0.205 302 Q C 1.789 177.769 176.000 -0.034 0.000 0.970 302 Q CA 2.167 57.944 55.803 -0.043 0.000 0.876 302 Q CB -0.589 27.969 28.738 -0.301 0.000 0.935 302 Q HN 0.800 nan 8.270 nan 0.000 0.455 303 I N -2.657 117.896 120.570 -0.027 0.000 3.928 303 I HA 0.354 4.524 4.170 -0.000 0.000 0.335 303 I C 0.415 176.533 176.117 0.001 0.000 1.325 303 I CA -0.632 60.659 61.300 -0.016 0.000 1.107 303 I CB 0.298 38.286 38.000 -0.019 0.000 1.014 303 I HN -0.162 nan 8.210 nan 0.000 0.400 304 R N 1.407 121.912 120.500 0.008 0.000 2.732 304 R HA 0.561 4.901 4.340 -0.000 0.000 0.278 304 R C 0.108 176.415 176.300 0.010 0.000 0.976 304 R CA -0.531 55.575 56.100 0.010 0.000 0.963 304 R CB 1.932 32.236 30.300 0.006 0.000 1.150 304 R HN 0.378 nan 8.270 nan 0.000 0.478 305 S N 0.609 116.320 115.700 0.019 0.000 2.652 305 S HA 0.212 4.682 4.470 -0.000 0.000 0.270 305 S C 1.473 176.063 174.600 -0.016 0.000 1.243 305 S CA -0.718 57.494 58.200 0.020 0.000 0.999 305 S CB 0.701 63.940 63.200 0.065 0.000 0.973 305 S HN 0.604 nan 8.310 nan 0.000 0.544 306 I N 0.215 120.749 120.570 -0.059 0.000 2.151 306 I HA -0.175 3.995 4.170 -0.000 0.000 0.243 306 I C 2.205 178.236 176.117 -0.144 0.000 1.080 306 I CA 1.779 62.970 61.300 -0.180 0.000 1.339 306 I CB -0.416 37.366 38.000 -0.362 0.000 1.039 306 I HN 0.757 nan 8.210 nan 0.000 0.409 307 F N 1.753 121.610 119.950 -0.155 0.000 2.126 307 F HA -0.255 4.272 4.527 -0.000 0.000 0.299 307 F C 2.400 178.152 175.800 -0.081 0.000 1.096 307 F CA 1.902 59.835 58.000 -0.112 0.000 1.255 307 F CB -0.321 38.634 39.000 -0.075 0.000 0.997 307 F HN 0.082 nan 8.300 nan 0.000 0.479 308 E N 0.072 120.171 120.200 -0.168 0.000 2.150 308 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 308 E C 2.317 178.786 176.600 -0.218 0.000 0.985 308 E CA 1.381 57.655 56.400 -0.209 0.000 0.814 308 E CB -0.166 29.517 29.700 -0.029 0.000 0.752 308 E HN 0.488 nan 8.360 nan 0.000 0.466 309 I N 0.918 121.388 120.570 -0.167 0.000 2.286 309 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 309 I C 2.511 178.531 176.117 -0.161 0.000 1.104 309 I CA 0.726 61.957 61.300 -0.114 0.000 1.397 309 I CB -0.214 37.745 38.000 -0.069 0.000 1.072 309 I HN 0.059 nan 8.210 nan 0.000 0.417 310 A N 0.440 123.112 122.820 -0.247 0.000 1.908 310 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 310 A C 2.387 179.804 177.584 -0.278 0.000 1.181 310 A CA 2.514 54.401 52.037 -0.250 0.000 0.627 310 A CB -1.147 17.683 19.000 -0.283 0.000 0.818 310 A HN 0.371 nan 8.150 nan 0.000 0.445 311 T N -0.562 113.735 114.554 -0.427 0.000 2.720 311 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 311 T C 1.931 176.520 174.700 -0.186 0.000 1.037 311 T CA 1.831 63.720 62.100 -0.351 0.000 1.144 311 T CB -0.196 68.411 68.868 -0.436 0.000 0.864 311 T HN 0.651 nan 8.240 nan 0.000 0.444 312 E N 0.918 121.029 120.200 -0.149 0.000 2.072 312 E HA 0.039 4.389 4.350 -0.000 0.000 0.190 312 E C 2.073 178.639 176.600 -0.056 0.000 0.982 312 E CA 0.671 57.023 56.400 -0.080 0.000 0.803 312 E CB -0.624 29.045 29.700 -0.053 0.000 0.755 312 E HN 0.386 nan 8.360 nan 0.000 0.453 313 L N 0.615 121.803 121.223 -0.059 0.000 1.990 313 L HA -0.289 4.051 4.340 -0.000 0.000 0.213 313 L C 2.092 178.941 176.870 -0.035 0.000 1.072 313 L CA 2.025 56.846 54.840 -0.031 0.000 0.755 313 L CB -0.497 41.545 42.059 -0.028 0.000 0.889 313 L HN 0.337 nan 8.230 nan 0.000 0.432 314 N N -0.832 117.831 118.700 -0.061 0.000 2.069 314 N HA -0.278 4.462 4.740 -0.000 0.000 0.191 314 N C 1.930 177.415 175.510 -0.043 0.000 1.031 314 N CA 1.226 54.245 53.050 -0.052 0.000 0.852 314 N CB -0.150 38.292 38.487 -0.075 0.000 1.018 314 N HN 0.269 nan 8.380 nan 0.000 0.423 315 R N 1.262 121.731 120.500 -0.051 0.000 2.096 315 R HA -0.115 4.225 4.340 -0.000 0.000 0.240 315 R C 2.158 178.443 176.300 -0.026 0.000 1.139 315 R CA 1.199 57.276 56.100 -0.039 0.000 0.952 315 R CB -0.228 30.048 30.300 -0.040 0.000 0.854 315 R HN 0.231 nan 8.270 nan 0.000 0.436 316 L N 0.138 121.349 121.223 -0.020 0.000 2.141 316 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 316 L C 2.557 179.423 176.870 -0.007 0.000 1.094 316 L CA 1.175 56.010 54.840 -0.009 0.000 0.763 316 L CB -0.359 41.702 42.059 0.003 0.000 0.908 316 L HN 0.305 nan 8.230 nan 0.000 0.437 317 Q N 0.200 119.996 119.800 -0.006 0.000 2.084 317 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 317 Q C 2.223 178.217 176.000 -0.009 0.000 0.978 317 Q CA 1.543 57.344 55.803 -0.002 0.000 0.844 317 Q CB 0.003 28.742 28.738 0.002 0.000 0.898 317 Q HN 0.418 nan 8.270 nan 0.000 0.426 318 K N 0.438 120.830 120.400 -0.015 0.000 2.009 318 K HA -0.142 4.178 4.320 -0.000 0.000 0.210 318 K C 2.076 178.663 176.600 -0.021 0.000 1.049 318 K CA 1.228 57.504 56.287 -0.017 0.000 0.929 318 K CB -0.180 32.307 32.500 -0.021 0.000 0.714 318 K HN 0.127 nan 8.250 nan 0.000 0.440 319 L N 0.080 121.289 121.223 -0.024 0.000 2.046 319 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 319 L C 2.574 179.421 176.870 -0.038 0.000 1.077 319 L CA 1.461 56.283 54.840 -0.030 0.000 0.747 319 L CB -1.018 41.025 42.059 -0.027 0.000 0.896 319 L HN 0.409 nan 8.230 nan 0.000 0.432 320 G N -0.922 107.859 108.800 -0.032 0.000 2.491 320 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.218 320 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.218 320 G C 1.785 176.660 174.900 -0.043 0.000 1.180 320 G CA 1.116 46.193 45.100 -0.039 0.000 0.774 320 G HN 0.370 nan 8.290 nan 0.000 0.562 321 S N 0.551 116.236 115.700 -0.026 0.000 2.442 321 S HA 0.121 4.591 4.470 -0.000 0.000 0.236 321 S C 2.269 176.851 174.600 -0.029 0.000 1.007 321 S CA 1.541 59.728 58.200 -0.022 0.000 0.965 321 S CB -0.267 62.927 63.200 -0.010 0.000 0.773 321 S HN 0.585 nan 8.310 nan 0.000 0.504 322 A N -0.467 122.331 122.820 -0.036 0.000 2.348 322 A HA 0.560 4.880 4.320 -0.000 0.000 0.224 322 A C 1.458 179.009 177.584 -0.056 0.000 1.227 322 A CA 0.628 52.642 52.037 -0.038 0.000 0.885 322 A CB -0.657 18.324 19.000 -0.032 0.000 0.933 322 A HN 1.272 nan 8.150 nan 0.000 0.506 323 G N -0.416 108.337 108.800 -0.077 0.000 2.246 323 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.273 323 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.273 323 G C 0.194 175.031 174.900 -0.105 0.000 1.055 323 G CA 0.461 45.491 45.100 -0.116 0.000 0.851 323 G HN 0.433 nan 8.290 nan 0.000 0.500 324 Q N -0.892 118.859 119.800 -0.080 0.000 2.112 324 Q HA 0.277 4.617 4.340 -0.000 0.000 0.222 324 Q C 1.220 177.188 176.000 -0.053 0.000 0.798 324 Q CA -0.214 55.552 55.803 -0.061 0.000 1.060 324 Q CB 0.671 29.383 28.738 -0.044 0.000 1.184 324 Q HN 0.647 nan 8.270 nan 0.000 0.475 325 L N 2.484 123.669 121.223 -0.063 0.000 2.540 325 L HA -0.003 4.337 4.340 -0.000 0.000 0.276 325 L C 0.990 177.841 176.870 -0.032 0.000 1.212 325 L CA 0.281 55.095 54.840 -0.042 0.000 0.893 325 L CB 0.220 42.252 42.059 -0.044 0.000 1.138 325 L HN 0.110 nan 8.230 nan 0.000 0.491 326 S N 0.864 116.555 115.700 -0.015 0.000 2.652 326 S HA 0.229 4.699 4.470 -0.000 0.000 0.270 326 S C 1.137 175.741 174.600 0.005 0.000 1.243 326 S CA -0.402 57.794 58.200 -0.007 0.000 0.999 326 S CB 1.535 64.732 63.200 -0.004 0.000 0.973 326 S HN 0.656 nan 8.310 nan 0.000 0.544 327 T N 2.012 116.572 114.554 0.011 0.000 2.624 327 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 327 T C 1.800 176.514 174.700 0.024 0.000 1.041 327 T CA 1.950 64.063 62.100 0.022 0.000 1.159 327 T CB -0.913 67.967 68.868 0.019 0.000 0.863 327 T HN 0.777 nan 8.240 nan 0.000 0.434 328 N N 0.919 119.630 118.700 0.018 0.000 2.149 328 N HA -0.169 4.571 4.740 -0.000 0.000 0.188 328 N C 1.154 176.679 175.510 0.024 0.000 1.019 328 N CA 1.391 54.453 53.050 0.020 0.000 0.857 328 N CB -0.197 38.299 38.487 0.016 0.000 0.997 328 N HN 0.372 nan 8.380 nan 0.000 0.426 329 D N 0.288 120.700 120.400 0.020 0.000 2.350 329 D HA -0.084 4.556 4.640 -0.000 0.000 0.216 329 D C 1.419 177.740 176.300 0.035 0.000 0.968 329 D CA 0.317 54.331 54.000 0.024 0.000 0.894 329 D CB 0.218 41.027 40.800 0.014 0.000 0.909 329 D HN 0.270 nan 8.370 nan 0.000 0.520 330 L N 0.429 121.675 121.223 0.038 0.000 2.513 330 L HA 0.242 4.582 4.340 -0.000 0.000 0.222 330 L C 0.990 177.890 176.870 0.051 0.000 1.096 330 L CA 0.308 55.179 54.840 0.052 0.000 0.857 330 L CB -0.142 41.956 42.059 0.065 0.000 1.026 330 L HN 0.016 nan 8.230 nan 0.000 0.469 331 I N -4.419 116.177 120.570 0.044 0.000 2.822 331 I HA 0.701 4.871 4.170 -0.000 0.000 0.312 331 I C 1.155 177.299 176.117 0.044 0.000 1.011 331 I CA -0.337 60.987 61.300 0.041 0.000 1.105 331 I CB 1.307 39.328 38.000 0.035 0.000 1.291 331 I HN 0.166 nan 8.210 nan 0.000 0.474 332 G N 2.200 111.027 108.800 0.044 0.000 2.136 332 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.242 332 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.242 332 G C 0.520 175.458 174.900 0.065 0.000 0.989 332 G CA -0.096 45.034 45.100 0.050 0.000 0.682 332 G HN 1.374 nan 8.290 nan 0.000 0.522 333 G N -0.335 108.504 108.800 0.065 0.000 2.353 333 G HA2 0.492 4.452 3.960 -0.000 0.000 0.239 333 G HA3 0.492 4.452 3.960 -0.000 0.000 0.239 333 G C 1.087 176.039 174.900 0.088 0.000 1.295 333 G CA 1.116 46.264 45.100 0.081 0.000 0.884 333 G HN 1.360 nan 8.290 nan 0.000 0.537 334 T N -1.082 113.549 114.554 0.129 0.000 2.975 334 T HA 0.416 4.766 4.350 -0.000 0.000 0.257 334 T C 0.000 174.825 174.700 0.208 0.000 1.003 334 T CA -0.102 62.081 62.100 0.138 0.000 0.932 334 T CB 0.126 69.082 68.868 0.147 0.000 1.087 334 T HN 0.614 nan 8.240 nan 0.000 0.512 335 F N 0.787 120.749 119.950 0.020 0.000 2.746 335 F HA 0.511 5.038 4.527 0.000 0.000 0.311 335 F C -1.965 173.866 175.800 0.052 0.000 1.135 335 F CA -0.445 57.562 58.000 0.012 0.000 0.954 335 F CB 1.433 40.425 39.000 -0.014 0.000 1.276 335 F HN -0.040 nan 8.300 nan 0.000 0.440 336 T N 5.275 119.469 114.554 -0.600 0.000 2.893 336 T HA 0.682 5.032 4.350 -0.000 0.000 0.293 336 T C -1.197 173.318 174.700 -0.307 0.000 1.027 336 T CA -0.638 61.290 62.100 -0.287 0.000 0.988 336 T CB 1.846 70.602 68.868 -0.187 0.000 1.043 336 T HN 0.535 nan 8.240 nan 0.000 0.461 337 L N 1.813 123.026 121.223 -0.018 0.000 2.329 337 L HA 0.695 5.035 4.340 -0.000 0.000 0.279 337 L C 0.135 177.020 176.870 0.024 0.000 1.014 337 L CA -0.830 54.030 54.840 0.033 0.000 0.814 337 L CB 1.987 44.173 42.059 0.211 0.000 1.257 337 L HN 0.585 nan 8.230 nan 0.000 0.424 338 S N 1.989 117.676 115.700 -0.022 0.000 2.532 338 S HA 0.196 4.666 4.470 -0.000 0.000 0.256 338 S C -0.080 174.525 174.600 0.008 0.000 1.298 338 S CA -0.679 57.516 58.200 -0.008 0.000 1.166 338 S CB 0.053 63.225 63.200 -0.046 0.000 1.022 338 S HN 0.587 nan 8.310 nan 0.000 0.480 339 N N 4.452 123.197 118.700 0.075 0.000 3.103 339 N HA 0.053 4.793 4.740 -0.000 0.000 0.305 339 N C 0.840 176.387 175.510 0.062 0.000 1.232 339 N CA -0.216 52.897 53.050 0.105 0.000 1.190 339 N CB -0.371 38.232 38.487 0.193 0.000 1.461 339 N HN 0.687 nan 8.380 nan 0.000 0.538 340 I N 0.434 121.014 120.570 0.016 0.000 2.614 340 I HA 0.021 4.191 4.170 -0.000 0.000 0.258 340 I C 1.894 178.015 176.117 0.008 0.000 1.189 340 I CA 0.773 62.077 61.300 0.007 0.000 1.462 340 I CB -0.392 37.599 38.000 -0.016 0.000 1.092 340 I HN 0.432 nan 8.210 nan 0.000 0.442 341 G N -0.498 108.306 108.800 0.008 0.000 2.559 341 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 341 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 341 G C 1.661 176.579 174.900 0.029 0.000 1.126 341 G CA 0.813 45.913 45.100 0.001 0.000 0.778 341 G HN 0.560 nan 8.290 nan 0.000 0.543 342 S N -0.083 115.653 115.700 0.059 0.000 2.474 342 S HA 0.072 4.542 4.470 -0.000 0.000 0.235 342 S C 2.051 176.676 174.600 0.042 0.000 0.997 342 S CA 0.729 58.968 58.200 0.067 0.000 0.949 342 S CB -0.136 63.115 63.200 0.084 0.000 0.766 342 S HN 0.381 nan 8.310 nan 0.000 0.517 343 I N 0.581 121.168 120.570 0.028 0.000 3.039 343 I HA 0.419 4.589 4.170 -0.000 0.000 0.270 343 I C 1.373 177.493 176.117 0.004 0.000 1.150 343 I CA 0.535 61.845 61.300 0.017 0.000 1.448 343 I CB 0.367 38.377 38.000 0.016 0.000 1.197 343 I HN 0.531 nan 8.210 nan 0.000 0.450 344 G N -0.429 108.368 108.800 -0.005 0.000 2.315 344 G HA2 0.475 4.435 3.960 -0.000 0.000 0.294 344 G HA3 0.475 4.435 3.960 -0.000 0.000 0.294 344 G C -0.872 174.006 174.900 -0.037 0.000 1.300 344 G CA -0.071 45.017 45.100 -0.021 0.000 0.843 344 G HN 0.530 nan 8.290 nan 0.000 0.527 345 G N -2.319 106.449 108.800 -0.052 0.000 2.515 345 G HA2 0.529 4.489 3.960 -0.000 0.000 0.686 345 G HA3 0.529 4.489 3.960 -0.000 0.000 0.686 345 G C 0.337 175.163 174.900 -0.122 0.000 1.274 345 G CA 0.661 45.718 45.100 -0.072 0.000 0.874 345 G HN 2.139 nan 8.290 nan 0.000 0.631 346 T N -1.964 112.499 114.554 -0.152 0.000 3.422 346 T HA 0.532 4.882 4.350 -0.000 0.000 0.192 346 T C 0.855 175.337 174.700 -0.363 0.000 0.857 346 T CA 0.633 62.550 62.100 -0.306 0.000 1.400 346 T CB 0.169 68.851 68.868 -0.309 0.000 1.864 346 T HN 0.725 nan 8.240 nan 0.000 0.415 347 Y N 1.783 122.028 120.300 -0.091 0.000 2.374 347 Y HA 0.771 5.321 4.550 0.000 0.000 0.322 347 Y C 0.637 176.475 175.900 -0.105 0.000 1.275 347 Y CA -0.502 57.531 58.100 -0.112 0.000 1.307 347 Y CB 1.088 39.481 38.460 -0.111 0.000 1.282 347 Y HN 0.855 nan 8.280 nan 0.000 0.509 348 A N 1.031 123.898 122.820 0.079 0.000 2.568 348 A HA 0.675 4.995 4.320 -0.000 0.000 0.291 348 A C -1.522 176.045 177.584 -0.027 0.000 1.159 348 A CA -0.937 51.100 52.037 0.000 0.000 0.679 348 A CB 1.959 20.936 19.000 -0.038 0.000 1.285 348 A HN 0.492 nan 8.150 nan 0.000 0.428 349 K N 1.941 122.317 120.400 -0.040 0.000 2.592 349 K HA 0.350 4.670 4.320 -0.000 0.000 0.212 349 K C -2.661 173.913 176.600 -0.042 0.000 1.013 349 K CA -1.396 54.863 56.287 -0.047 0.000 1.034 349 K CB 0.885 33.350 32.500 -0.058 0.000 1.292 349 K HN 0.661 nan 8.250 nan 0.000 0.521 350 P HA 0.138 nan 4.420 nan 0.000 0.275 350 P C -0.387 176.932 177.300 0.031 0.000 1.228 350 P CA -0.506 62.580 63.100 -0.023 0.000 0.786 350 P CB 1.292 32.964 31.700 -0.048 0.000 0.927 351 V N 3.921 123.851 119.914 0.027 0.000 2.435 351 V HA 0.246 4.366 4.120 -0.000 0.000 0.290 351 V C 0.918 177.114 176.094 0.171 0.000 1.030 351 V CA -0.794 61.562 62.300 0.095 0.000 0.881 351 V CB 1.125 32.937 31.823 -0.018 0.000 0.983 351 V HN 0.421 nan 8.190 nan 0.000 0.445 352 I N 4.680 125.465 120.570 0.358 0.000 2.754 352 I HA 0.096 4.266 4.170 -0.000 0.000 0.285 352 I C -0.362 175.787 176.117 0.054 0.000 1.166 352 I CA -0.184 61.165 61.300 0.080 0.000 1.417 352 I CB 0.530 38.467 38.000 -0.104 0.000 1.382 352 I HN 0.313 nan 8.210 nan 0.000 0.588 353 L N 8.173 129.393 121.223 -0.004 0.000 2.272 353 L HA 0.414 4.754 4.340 -0.000 0.000 0.284 353 L C -2.202 174.664 176.870 -0.008 0.000 1.045 353 L CA -1.813 53.025 54.840 -0.003 0.000 0.842 353 L CB 0.332 42.382 42.059 -0.015 0.000 1.224 353 L HN 0.267 nan 8.230 nan 0.000 0.430 354 P HA 0.152 nan 4.420 nan 0.000 0.266 354 P C -2.136 175.163 177.300 -0.002 0.000 1.195 354 P CA -0.737 62.360 63.100 -0.004 0.000 0.768 354 P CB 0.035 31.737 31.700 0.002 0.000 0.838 355 P HA 0.221 nan 4.420 nan 0.000 0.254 355 P C -0.271 177.020 177.300 -0.016 0.000 1.620 355 P CA -0.092 63.002 63.100 -0.010 0.000 1.050 355 P CB 0.318 32.014 31.700 -0.006 0.000 1.539 356 E N 0.015 120.206 120.200 -0.014 0.000 2.391 356 E HA 0.146 4.496 4.350 -0.000 0.000 0.255 356 E C 0.982 177.554 176.600 -0.046 0.000 1.187 356 E CA -0.320 56.070 56.400 -0.018 0.000 0.941 356 E CB 1.014 30.703 29.700 -0.018 0.000 1.010 356 E HN -0.041 nan 8.360 nan 0.000 0.458 357 V N -2.595 117.291 119.914 -0.047 0.000 3.477 357 V HA 0.623 4.743 4.120 -0.000 0.000 0.297 357 V C 0.110 176.152 176.094 -0.087 0.000 1.433 357 V CA 0.287 62.541 62.300 -0.077 0.000 1.052 357 V CB 0.057 31.832 31.823 -0.081 0.000 0.895 357 V HN 0.556 nan 8.190 nan 0.000 0.438 358 A N 0.144 122.917 122.820 -0.079 0.000 2.612 358 A HA 0.886 5.206 4.320 -0.000 0.000 0.293 358 A C -1.516 175.892 177.584 -0.293 0.000 1.075 358 A CA -0.384 51.592 52.037 -0.103 0.000 0.680 358 A CB 2.206 21.212 19.000 0.009 0.000 1.279 358 A HN 0.708 nan 8.150 nan 0.000 0.411 359 I N 0.188 120.632 120.570 -0.211 0.000 2.841 359 I HA 0.713 4.883 4.170 -0.000 0.000 0.298 359 I C -0.194 175.884 176.117 -0.064 0.000 1.304 359 I CA -0.433 60.688 61.300 -0.298 0.000 1.019 359 I CB 2.231 40.122 38.000 -0.181 0.000 1.282 359 I HN 0.994 nan 8.210 nan 0.000 0.432 360 G N 4.952 113.646 108.800 -0.178 0.000 2.461 360 G HA2 0.776 4.736 3.960 -0.000 0.000 0.323 360 G HA3 0.776 4.736 3.960 -0.000 0.000 0.323 360 G C -1.395 173.237 174.900 -0.447 0.000 1.229 360 G CA -0.497 44.278 45.100 -0.540 0.000 0.941 360 G HN 0.822 nan 8.290 nan 0.000 0.477 361 A N 2.259 124.798 122.820 -0.469 0.000 2.330 361 A HA 0.755 5.075 4.320 -0.000 0.000 0.327 361 A C -0.795 176.593 177.584 -0.327 0.000 1.155 361 A CA -0.551 51.312 52.037 -0.291 0.000 0.803 361 A CB 1.107 20.001 19.000 -0.177 0.000 1.208 361 A HN 0.537 nan 8.150 nan 0.000 0.477 362 L N 2.475 123.572 121.223 -0.211 0.000 2.307 362 L HA 0.626 4.966 4.340 -0.000 0.000 0.284 362 L C 0.959 177.754 176.870 -0.125 0.000 1.023 362 L CA -0.160 54.569 54.840 -0.186 0.000 0.810 362 L CB 0.519 42.505 42.059 -0.122 0.000 1.231 362 L HN 0.857 nan 8.230 nan 0.000 0.423 363 G N 1.556 110.258 108.800 -0.164 0.000 2.537 363 G HA2 0.449 4.409 3.960 -0.000 0.000 0.297 363 G HA3 0.449 4.409 3.960 -0.000 0.000 0.297 363 G C -0.453 174.379 174.900 -0.114 0.000 1.310 363 G CA -0.336 44.673 45.100 -0.151 0.000 1.027 363 G HN 0.493 nan 8.290 nan 0.000 0.505 364 T N 0.761 115.253 114.554 -0.104 0.000 2.888 364 T HA 0.172 4.522 4.350 -0.000 0.000 0.301 364 T C 0.693 175.324 174.700 -0.114 0.000 1.001 364 T CA 0.283 62.334 62.100 -0.082 0.000 1.147 364 T CB 0.376 69.205 68.868 -0.065 0.000 0.931 364 T HN 0.230 nan 8.240 nan 0.000 0.541 365 I N 3.945 124.443 120.570 -0.120 0.000 2.517 365 I HA 0.204 4.374 4.170 -0.000 0.000 0.285 365 I C 0.620 176.670 176.117 -0.111 0.000 1.106 365 I CA 0.387 61.594 61.300 -0.154 0.000 1.402 365 I CB 0.179 38.025 38.000 -0.257 0.000 1.399 365 I HN 0.392 nan 8.210 nan 0.000 0.535 366 K N 5.099 125.435 120.400 -0.107 0.000 2.498 366 K HA 0.698 5.018 4.320 -0.000 0.000 0.254 366 K C -1.091 175.463 176.600 -0.078 0.000 0.933 366 K CA -0.776 55.461 56.287 -0.084 0.000 0.806 366 K CB 1.978 34.425 32.500 -0.090 0.000 1.301 366 K HN 0.609 nan 8.250 nan 0.000 0.432 367 A N 5.032 127.814 122.820 -0.062 0.000 2.350 367 A HA 0.451 4.771 4.320 -0.000 0.000 0.293 367 A C -0.775 176.772 177.584 -0.063 0.000 1.231 367 A CA -0.240 51.762 52.037 -0.058 0.000 0.883 367 A CB -0.245 18.729 19.000 -0.045 0.000 1.133 367 A HN 0.618 nan 8.150 nan 0.000 0.533 368 L N 3.626 124.806 121.223 -0.071 0.000 2.354 368 L HA 0.469 4.809 4.340 -0.000 0.000 0.264 368 L C -2.486 174.327 176.870 -0.094 0.000 1.008 368 L CA -2.414 52.378 54.840 -0.080 0.000 0.819 368 L CB 2.757 44.767 42.059 -0.082 0.000 1.339 368 L HN 0.392 nan 8.230 nan 0.000 0.420 369 P HA 0.310 nan 4.420 nan 0.000 0.276 369 P C -1.110 176.058 177.300 -0.220 0.000 1.235 369 P CA -0.340 62.664 63.100 -0.160 0.000 0.772 369 P CB 0.735 32.332 31.700 -0.171 0.000 0.871 370 R N 1.996 122.353 120.500 -0.239 0.000 2.764 370 R HA 0.507 4.847 4.340 -0.000 0.000 0.270 370 R C -0.778 175.362 176.300 -0.268 0.000 1.014 370 R CA -0.814 55.128 56.100 -0.263 0.000 0.904 370 R CB 0.797 31.034 30.300 -0.105 0.000 1.236 370 R HN 0.285 nan 8.270 nan 0.000 0.466 371 F N 1.750 121.696 119.950 -0.005 0.000 2.385 371 F HA 0.252 4.779 4.527 0.000 0.000 0.336 371 F C 1.342 177.140 175.800 -0.005 0.000 1.100 371 F CA -0.537 57.461 58.000 -0.004 0.000 1.116 371 F CB 0.691 39.691 39.000 -0.001 0.000 1.166 371 F HN 0.446 nan 8.300 nan 0.000 0.511 372 N N 1.108 119.941 118.700 0.221 0.000 2.476 372 N HA 0.120 4.860 4.740 -0.000 0.000 0.287 372 N C 0.476 176.044 175.510 0.096 0.000 1.262 372 N CA -0.467 52.654 53.050 0.117 0.000 0.980 372 N CB 0.204 38.736 38.487 0.075 0.000 1.163 372 N HN 0.600 nan 8.380 nan 0.000 0.592 373 E N -0.449 119.783 120.200 0.054 0.000 2.204 373 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 373 E C 1.020 177.630 176.600 0.016 0.000 0.990 373 E CA 1.257 57.675 56.400 0.030 0.000 0.821 373 E CB -0.078 29.636 29.700 0.023 0.000 0.750 373 E HN 0.546 nan 8.360 nan 0.000 0.477 374 K N -0.851 119.565 120.400 0.026 0.000 2.504 374 K HA 0.000 4.320 4.320 -0.000 0.000 0.195 374 K C 1.067 177.668 176.600 0.002 0.000 1.036 374 K CA 0.573 56.869 56.287 0.016 0.000 0.984 374 K CB 0.246 32.762 32.500 0.027 0.000 0.788 374 K HN 0.257 nan 8.250 nan 0.000 0.488 375 G N 1.457 110.257 108.800 0.001 0.000 2.143 375 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.249 375 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.249 375 G C -0.532 174.440 174.900 0.119 0.000 0.981 375 G CA 0.042 45.097 45.100 -0.075 0.000 0.665 375 G HN 0.396 nan 8.290 nan 0.000 0.528 376 E N -0.445 119.876 120.200 0.202 0.000 2.248 376 E HA 0.539 4.889 4.350 -0.000 0.000 0.272 376 E C 0.253 177.014 176.600 0.269 0.000 1.008 376 E CA -0.987 55.549 56.400 0.226 0.000 0.856 376 E CB 2.225 31.990 29.700 0.109 0.000 1.120 376 E HN 0.071 nan 8.360 nan 0.000 0.397 377 V N 2.628 122.631 119.914 0.149 0.000 2.479 377 V HA 0.018 4.138 4.120 -0.000 0.000 0.281 377 V C -0.064 176.007 176.094 -0.039 0.000 1.031 377 V CA -0.140 62.131 62.300 -0.048 0.000 1.038 377 V CB -0.048 31.715 31.823 -0.099 0.000 0.981 377 V HN 0.785 nan 8.190 nan 0.000 0.478 378 C N 4.445 123.704 119.300 -0.069 0.000 2.771 378 C HA 0.492 4.952 4.460 -0.000 0.000 0.333 378 C C 0.346 175.301 174.990 -0.060 0.000 1.267 378 C CA -1.260 57.733 59.018 -0.041 0.000 1.721 378 C CB 1.872 29.602 27.740 -0.018 0.000 2.222 378 C HN 0.869 nan 8.230 nan 0.000 0.485 379 K N 1.438 121.813 120.400 -0.042 0.000 2.284 379 K HA 0.581 4.901 4.320 -0.000 0.000 0.287 379 K C -0.508 176.066 176.600 -0.044 0.000 1.081 379 K CA 0.118 56.379 56.287 -0.045 0.000 0.910 379 K CB 0.297 32.778 32.500 -0.033 0.000 1.088 379 K HN 0.815 nan 8.250 nan 0.000 0.478 380 A N 4.106 126.893 122.820 -0.055 0.000 2.331 380 A HA 0.315 4.635 4.320 -0.000 0.000 0.320 380 A C -0.934 176.614 177.584 -0.060 0.000 1.138 380 A CA -0.846 51.159 52.037 -0.053 0.000 0.790 380 A CB 1.126 20.092 19.000 -0.056 0.000 1.206 380 A HN 0.616 nan 8.150 nan 0.000 0.470 381 Q N 2.191 121.955 119.800 -0.059 0.000 2.402 381 Q HA 0.261 4.601 4.340 -0.000 0.000 0.238 381 Q C -0.577 175.368 176.000 -0.091 0.000 1.126 381 Q CA 0.073 55.831 55.803 -0.075 0.000 0.904 381 Q CB 0.457 29.152 28.738 -0.071 0.000 1.357 381 Q HN 0.525 nan 8.270 nan 0.000 0.491 382 I N 2.854 123.365 120.570 -0.097 0.000 2.359 382 I HA 0.409 4.579 4.170 -0.000 0.000 0.294 382 I C 0.138 176.175 176.117 -0.133 0.000 0.987 382 I CA -0.624 60.614 61.300 -0.104 0.000 1.225 382 I CB 1.173 39.117 38.000 -0.094 0.000 1.366 382 I HN 0.480 nan 8.210 nan 0.000 0.466 383 M N 6.186 125.702 119.600 -0.139 0.000 2.393 383 M HA 0.437 4.917 4.480 -0.000 0.000 0.316 383 M C -0.940 175.250 176.300 -0.183 0.000 1.087 383 M CA -0.479 54.721 55.300 -0.167 0.000 0.937 383 M CB 1.721 34.225 32.600 -0.161 0.000 1.668 383 M HN 0.515 nan 8.290 nan 0.000 0.438 384 N N 1.905 120.433 118.700 -0.286 0.000 2.524 384 N HA 0.503 5.243 4.740 -0.000 0.000 0.283 384 N C -1.344 174.019 175.510 -0.245 0.000 1.142 384 N CA -0.526 52.294 53.050 -0.383 0.000 0.984 384 N CB 2.131 40.045 38.487 -0.954 0.000 1.155 384 N HN 0.372 nan 8.380 nan 0.000 0.467 385 V N 0.808 120.640 119.914 -0.137 0.000 2.735 385 V HA 0.607 4.727 4.120 -0.000 0.000 0.310 385 V C -1.070 174.867 176.094 -0.261 0.000 1.061 385 V CA -0.336 61.794 62.300 -0.284 0.000 0.913 385 V CB 1.928 33.562 31.823 -0.316 0.000 1.005 385 V HN 0.694 nan 8.190 nan 0.000 0.428 386 S N 5.572 121.007 115.700 -0.441 0.000 2.605 386 S HA 0.593 5.063 4.470 -0.000 0.000 0.308 386 S C -1.440 172.903 174.600 -0.428 0.000 1.113 386 S CA -0.401 57.628 58.200 -0.285 0.000 1.049 386 S CB 1.022 64.157 63.200 -0.109 0.000 1.001 386 S HN 0.708 nan 8.310 nan 0.000 0.480 387 W N 1.584 122.890 121.300 0.010 0.000 2.551 387 W HA 0.643 5.303 4.660 0.000 0.000 0.330 387 W C 0.231 176.730 176.519 -0.033 0.000 1.063 387 W CA -0.527 56.819 57.345 0.002 0.000 1.222 387 W CB 1.372 30.887 29.460 0.092 0.000 1.349 387 W HN 0.410 nan 8.180 nan 0.000 0.536 388 S N 1.400 117.211 115.700 0.185 0.000 2.536 388 S HA 0.902 5.372 4.470 -0.000 0.000 0.298 388 S C -0.762 173.877 174.600 0.064 0.000 1.083 388 S CA -0.781 57.483 58.200 0.106 0.000 0.995 388 S CB 1.728 65.013 63.200 0.142 0.000 1.058 388 S HN 0.555 nan 8.310 nan 0.000 0.488 389 A N 1.199 124.040 122.820 0.034 0.000 2.539 389 A HA 0.623 4.943 4.320 -0.000 0.000 0.296 389 A C -1.291 176.249 177.584 -0.072 0.000 1.073 389 A CA -0.717 51.306 52.037 -0.024 0.000 0.700 389 A CB 1.061 20.073 19.000 0.019 0.000 1.296 389 A HN 0.660 nan 8.150 nan 0.000 0.405 390 D N 0.746 121.080 120.400 -0.110 0.000 2.357 390 D HA 0.013 4.653 4.640 -0.000 0.000 0.265 390 D C 0.678 176.998 176.300 0.033 0.000 1.334 390 D CA 0.357 54.312 54.000 -0.075 0.000 0.984 390 D CB 0.124 40.872 40.800 -0.087 0.000 1.077 390 D HN 0.569 nan 8.370 nan 0.000 0.514 391 H N 4.171 123.227 119.070 -0.023 0.000 2.561 391 H HA 0.045 4.601 4.556 -0.000 0.000 0.278 391 H C 1.457 176.751 175.328 -0.057 0.000 1.014 391 H CA 0.780 56.806 56.048 -0.037 0.000 1.211 391 H CB 0.322 30.097 29.762 0.021 0.000 1.365 391 H HN 0.444 nan 8.280 nan 0.000 0.594 392 R N -0.372 120.164 120.500 0.059 0.000 2.115 392 R HA -0.033 4.307 4.340 -0.000 0.000 0.230 392 R C 1.669 177.958 176.300 -0.019 0.000 1.111 392 R CA 1.742 57.835 56.100 -0.011 0.000 0.976 392 R CB 0.204 30.496 30.300 -0.014 0.000 0.870 392 R HN 0.466 nan 8.270 nan 0.000 0.445 393 I N -4.263 116.302 120.570 -0.007 0.000 4.730 393 I HA 0.284 4.454 4.170 -0.000 0.000 0.332 393 I C 0.053 176.159 176.117 -0.018 0.000 1.299 393 I CA -0.245 61.042 61.300 -0.022 0.000 1.294 393 I CB 0.769 38.740 38.000 -0.049 0.000 1.317 393 I HN -0.213 nan 8.210 nan 0.000 0.457 394 I N 3.435 123.998 120.570 -0.012 0.000 2.377 394 I HA 0.339 4.509 4.170 -0.000 0.000 0.293 394 I C -0.779 175.306 176.117 -0.054 0.000 0.987 394 I CA -0.653 60.617 61.300 -0.051 0.000 1.185 394 I CB 1.308 39.253 38.000 -0.092 0.000 1.341 394 I HN 0.203 nan 8.210 nan 0.000 0.455 395 D N 3.950 124.282 120.400 -0.112 0.000 2.385 395 D HA 0.313 4.953 4.640 -0.000 0.000 0.254 395 D C 1.163 177.221 176.300 -0.404 0.000 1.053 395 D CA -0.710 53.182 54.000 -0.179 0.000 0.992 395 D CB 1.083 41.832 40.800 -0.085 0.000 1.145 395 D HN 0.512 nan 8.370 nan 0.000 0.523 396 G N -0.417 108.042 108.800 -0.569 0.000 2.418 396 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.217 396 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.217 396 G C 1.439 176.182 174.900 -0.261 0.000 1.158 396 G CA 1.249 46.009 45.100 -0.566 0.000 0.771 396 G HN 0.662 nan 8.290 nan 0.000 0.545 397 A N 0.275 122.982 122.820 -0.188 0.000 1.908 397 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 397 A C 2.536 179.997 177.584 -0.206 0.000 1.181 397 A CA 2.511 54.464 52.037 -0.140 0.000 0.627 397 A CB -0.992 17.968 19.000 -0.067 0.000 0.818 397 A HN 0.308 nan 8.150 nan 0.000 0.445 398 T N -0.180 114.247 114.554 -0.212 0.000 2.674 398 T HA -0.136 4.214 4.350 -0.000 0.000 0.265 398 T C 1.890 176.305 174.700 -0.476 0.000 1.039 398 T CA 1.699 63.624 62.100 -0.291 0.000 1.150 398 T CB -0.559 68.206 68.868 -0.171 0.000 0.864 398 T HN 0.166 nan 8.240 nan 0.000 0.427 399 V N 1.367 121.046 119.914 -0.393 0.000 2.392 399 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 399 V C 2.683 178.413 176.094 -0.606 0.000 1.059 399 V CA 2.055 64.088 62.300 -0.444 0.000 1.051 399 V CB -0.802 30.875 31.823 -0.244 0.000 0.658 399 V HN 0.513 nan 8.190 nan 0.000 0.455 400 S N -0.696 114.601 115.700 -0.672 0.000 2.395 400 S HA -0.102 4.368 4.470 -0.000 0.000 0.225 400 S C 2.148 176.544 174.600 -0.340 0.000 1.027 400 S CA 0.872 58.629 58.200 -0.738 0.000 0.965 400 S CB -0.193 62.679 63.200 -0.547 0.000 0.812 400 S HN 0.546 nan 8.310 nan 0.000 0.482 401 R N -0.539 119.754 120.500 -0.345 0.000 2.115 401 R HA -0.021 4.319 4.340 -0.000 0.000 0.230 401 R C 2.069 178.124 176.300 -0.408 0.000 1.111 401 R CA 1.548 57.490 56.100 -0.263 0.000 0.976 401 R CB -0.445 29.765 30.300 -0.150 0.000 0.870 401 R HN 0.610 nan 8.270 nan 0.000 0.445 402 F N 0.733 120.119 119.950 -0.940 0.000 2.187 402 F HA -0.092 4.435 4.527 -0.000 0.000 0.295 402 F C 2.500 178.096 175.800 -0.341 0.000 1.091 402 F CA 1.293 58.836 58.000 -0.762 0.000 1.308 402 F CB -0.341 38.099 39.000 -0.933 0.000 1.030 402 F HN -0.156 nan 8.300 nan 0.000 0.487 403 S N 0.812 116.259 115.700 -0.422 0.000 2.343 403 S HA -0.227 4.243 4.470 -0.000 0.000 0.219 403 S C 1.894 176.540 174.600 0.078 0.000 1.033 403 S CA 1.832 59.921 58.200 -0.185 0.000 1.014 403 S CB -0.631 62.679 63.200 0.183 0.000 0.915 403 S HN 0.539 nan 8.310 nan 0.000 0.435 404 N N 1.480 120.221 118.700 0.068 0.000 2.132 404 N HA -0.138 4.602 4.740 -0.000 0.000 0.191 404 N C 1.571 177.106 175.510 0.043 0.000 1.015 404 N CA 1.363 54.467 53.050 0.090 0.000 0.864 404 N CB -0.770 37.762 38.487 0.074 0.000 1.006 404 N HN 0.423 nan 8.380 nan 0.000 0.430 405 L N -0.679 120.538 121.223 -0.010 0.000 2.068 405 L HA 0.021 4.361 4.340 -0.000 0.000 0.204 405 L C 2.169 179.016 176.870 -0.039 0.000 1.076 405 L CA 1.267 56.085 54.840 -0.036 0.000 0.753 405 L CB -0.845 41.272 42.059 0.095 0.000 0.910 405 L HN 0.243 nan 8.230 nan 0.000 0.439 406 W N 1.251 122.421 121.300 -0.217 0.000 2.318 406 W HA -0.306 4.354 4.660 -0.000 0.000 0.313 406 W C 2.703 179.273 176.519 0.084 0.000 1.221 406 W CA 2.879 60.196 57.345 -0.047 0.000 1.266 406 W CB -0.213 29.055 29.460 -0.320 0.000 1.150 406 W HN 0.212 nan 8.180 nan 0.000 0.496 407 K N 0.189 120.693 120.400 0.174 0.000 2.097 407 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 407 K C 2.302 178.843 176.600 -0.098 0.000 1.049 407 K CA 2.093 58.376 56.287 -0.007 0.000 0.933 407 K CB -0.556 32.053 32.500 0.183 0.000 0.717 407 K HN 0.247 nan 8.250 nan 0.000 0.442 408 S N -0.488 115.166 115.700 -0.076 0.000 2.402 408 S HA -0.145 4.325 4.470 -0.000 0.000 0.229 408 S C 1.837 176.315 174.600 -0.203 0.000 1.021 408 S CA 0.576 58.690 58.200 -0.143 0.000 0.974 408 S CB -0.572 62.603 63.200 -0.041 0.000 0.800 408 S HN 0.344 nan 8.310 nan 0.000 0.484 409 Y N 1.845 122.121 120.300 -0.040 0.000 2.333 409 Y HA 0.150 4.700 4.550 -0.000 0.000 0.290 409 Y C 2.116 177.932 175.900 -0.140 0.000 1.144 409 Y CA 0.486 58.562 58.100 -0.040 0.000 1.228 409 Y CB -0.401 38.064 38.460 0.009 0.000 0.985 409 Y HN 0.284 nan 8.280 nan 0.000 0.542 410 L N -1.445 119.721 121.223 -0.094 0.000 2.253 410 L HA -0.007 4.333 4.340 -0.000 0.000 0.205 410 L C 2.042 178.823 176.870 -0.149 0.000 1.078 410 L CA 0.586 55.340 54.840 -0.142 0.000 0.805 410 L CB -0.296 41.586 42.059 -0.295 0.000 0.963 410 L HN 0.026 nan 8.230 nan 0.000 0.459 411 E N 0.675 120.766 120.200 -0.181 0.000 2.204 411 E HA -0.048 4.302 4.350 -0.000 0.000 0.194 411 E C -0.012 176.441 176.600 -0.244 0.000 0.989 411 E CA 0.608 56.900 56.400 -0.181 0.000 0.824 411 E CB 0.288 29.893 29.700 -0.157 0.000 0.756 411 E HN 0.459 nan 8.360 nan 0.000 0.477 412 N N 0.199 118.677 118.700 -0.369 0.000 2.750 412 N HA 0.113 4.853 4.740 -0.000 0.000 0.253 412 N C -2.494 172.821 175.510 -0.324 0.000 1.408 412 N CA -0.926 51.818 53.050 -0.511 0.000 0.780 412 N CB 1.524 39.254 38.487 -1.261 0.000 1.191 412 N HN -0.060 nan 8.380 nan 0.000 0.511 413 P HA -0.124 nan 4.420 nan 0.000 0.221 413 P C 1.476 178.850 177.300 0.125 0.000 1.145 413 P CA 0.895 64.021 63.100 0.043 0.000 0.795 413 P CB 0.370 32.087 31.700 0.028 0.000 0.775 414 A N -0.819 122.061 122.820 0.100 0.000 1.986 414 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 414 A C 1.788 179.598 177.584 0.377 0.000 1.171 414 A CA 1.525 53.684 52.037 0.203 0.000 0.640 414 A CB -1.751 17.369 19.000 0.200 0.000 0.811 414 A HN 0.079 nan 8.150 nan 0.000 0.451 415 F N -0.645 119.391 119.950 0.144 0.000 2.269 415 F HA -0.080 4.447 4.527 0.000 0.000 0.301 415 F C 2.329 178.308 175.800 0.298 0.000 1.082 415 F CA 0.672 58.793 58.000 0.202 0.000 1.360 415 F CB -0.908 38.199 39.000 0.178 0.000 1.041 415 F HN 0.198 nan 8.300 nan 0.000 0.512 416 M N -1.105 118.752 119.600 0.428 0.000 2.200 416 M HA -0.166 4.314 4.480 -0.000 0.000 0.265 416 M C 2.352 178.736 176.300 0.140 0.000 1.066 416 M CA 1.035 56.447 55.300 0.188 0.000 1.127 416 M CB -0.445 32.208 32.600 0.088 0.000 1.379 416 M HN 0.117 nan 8.290 nan 0.000 0.420 417 L N 0.294 121.613 121.223 0.160 0.000 2.013 417 L HA -0.289 4.051 4.340 -0.000 0.000 0.212 417 L C 2.433 179.362 176.870 0.097 0.000 1.073 417 L CA 1.358 56.267 54.840 0.114 0.000 0.753 417 L CB -0.487 41.641 42.059 0.115 0.000 0.890 417 L HN 0.385 nan 8.230 nan 0.000 0.432 418 L N -0.417 120.878 121.223 0.120 0.000 2.051 418 L HA -0.310 4.030 4.340 -0.000 0.000 0.214 418 L C 1.555 178.463 176.870 0.063 0.000 1.076 418 L CA 1.843 56.733 54.840 0.082 0.000 0.758 418 L CB -0.321 41.782 42.059 0.073 0.000 0.890 418 L HN 0.454 nan 8.230 nan 0.000 0.433 419 D N -1.027 119.416 120.400 0.072 0.000 2.407 419 D HA 0.193 4.833 4.640 -0.000 0.000 0.208 419 D C 0.607 176.926 176.300 0.032 0.000 1.083 419 D CA 0.000 54.030 54.000 0.050 0.000 0.844 419 D CB 0.546 41.384 40.800 0.063 0.000 0.967 419 D HN 0.257 nan 8.370 nan 0.000 0.506 420 L N 1.019 122.260 121.223 0.030 0.000 2.418 420 L HA 0.288 4.628 4.340 -0.000 0.000 0.265 420 L C 0.833 177.714 176.870 0.018 0.000 1.143 420 L CA -0.121 54.730 54.840 0.019 0.000 0.809 420 L CB 0.876 42.946 42.059 0.017 0.000 1.124 420 L HN -0.380 nan 8.230 nan 0.000 0.456 421 K N 0.000 120.408 120.400 0.013 0.000 2.780 421 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 421 K CA 0.000 56.293 56.287 0.010 0.000 0.838 421 K CB 0.000 32.504 32.500 0.007 0.000 1.064 421 K HN 0.000 nan 8.250 nan 0.000 0.543