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 1nxc_1_A DATA FIRST_RESID 178 DATA SEQUENCE FLPPVGVENR EPADATIREK RAKIKEMMTH AWNNYKRYAW GLNELKPISK DATA SEQUENCE EGHSSSLFGN IKGATIVDAL DTLFIMGMKT EFQEAKSWIK KYLDFNVNAE DATA SEQUENCE VSVFEVNIRF VGGLLSAYYL SGEEIFRKKA VELGVKLLPA FHTPSGIPWA DATA SEQUENCE LLNMKSGIGR NWPWASGGSS ILAEFGTLHL EFMHLSHLSG DPVFAEKVMK DATA SEQUENCE IRTVLNKLDK PEGLYPNYLN PSSGQWGQHH VSVGGLGDSF YEYLLKAWLM DATA SEQUENCE SDKTDLEAKK MYFDAVQAIE THLIRKSSGG LTYIAEWKGG LLEHKMGHLT DATA SEQUENCE cFAGGMFALG ADGAPEARAQ HYLELGAEIA RTcHESYNRT YVKLGPEAFR DATA SEQUENCE FDGGVEAIAT RQNEKYYILR PEVIETYMYM WRLTHDPKYR TWAWEAVEAL DATA SEQUENCE ESHCRVNGGY SGLRDVYIAR ESYDDVQQSF FLAETLKYLY LIFSDDDLLP DATA SEQUENCE LEHWIFNTEA HPFPILR 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 178 F HA 0.000 nan 4.527 nan 0.000 0.279 178 F C 0.000 175.838 175.800 0.064 0.000 0.967 178 F CA 0.000 58.054 58.000 0.091 0.000 1.383 178 F CB 0.000 39.020 39.000 0.033 0.000 1.145 179 L N 4.631 125.421 121.223 -0.723 0.000 2.329 179 L HA 0.959 5.299 4.340 -0.001 0.000 0.279 179 L C -2.574 173.752 176.870 -0.907 0.000 1.014 179 L CA -2.268 52.226 54.840 -0.576 0.000 0.814 179 L CB 0.782 42.667 42.059 -0.290 0.000 1.257 179 L HN 0.467 nan 8.230 nan 0.000 0.424 180 P HA 0.274 nan 4.420 nan 0.000 0.262 180 P C -2.372 174.819 177.300 -0.182 0.000 1.182 180 P CA -0.425 62.526 63.100 -0.249 0.000 0.761 180 P CB -0.053 31.607 31.700 -0.068 0.000 0.795 181 P HA 0.087 nan 4.420 nan 0.000 0.274 181 P C -0.820 176.560 177.300 0.132 0.000 1.231 181 P CA -0.056 63.108 63.100 0.106 0.000 0.790 181 P CB 0.633 32.543 31.700 0.349 0.000 0.951 182 V N 1.603 121.595 119.914 0.129 0.000 2.432 182 V HA 0.463 4.583 4.120 -0.001 0.000 0.275 182 V C 1.274 177.509 176.094 0.236 0.000 1.043 182 V CA 0.539 62.864 62.300 0.043 0.000 0.925 182 V CB 0.110 31.783 31.823 -0.250 0.000 0.985 182 V HN 1.033 nan 8.190 nan 0.000 0.466 183 G N 3.812 112.683 108.800 0.118 0.000 2.324 183 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.292 183 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.292 183 G C 0.292 175.262 174.900 0.117 0.000 1.079 183 G CA 0.363 45.534 45.100 0.119 0.000 1.026 183 G HN 1.619 nan 8.290 nan 0.000 0.506 184 V N -4.984 114.998 119.914 0.113 0.000 3.643 184 V HA 0.749 4.869 4.120 -0.001 0.000 0.280 184 V C 0.972 177.108 176.094 0.071 0.000 1.351 184 V CA 1.348 63.707 62.300 0.098 0.000 1.073 184 V CB -0.261 31.683 31.823 0.201 0.000 0.863 184 V HN 1.335 nan 8.190 nan 0.000 0.436 185 E N 3.188 123.420 120.200 0.054 0.000 2.316 185 E HA 0.411 4.761 4.350 -0.001 0.000 0.275 185 E C 0.168 176.789 176.600 0.034 0.000 1.029 185 E CA -0.096 56.319 56.400 0.026 0.000 0.871 185 E CB 0.206 nan 29.700 nan 0.000 1.022 185 E HN 0.799 nan 8.360 nan 0.000 0.418 186 N N 2.575 121.294 118.700 0.032 0.000 3.301 186 N HA 0.075 4.815 4.740 -0.001 0.000 0.289 186 N C -0.057 175.475 175.510 0.037 0.000 1.343 186 N CA -0.531 52.556 53.050 0.063 0.000 1.136 186 N CB 0.414 38.989 38.487 0.147 0.000 1.402 186 N HN 0.548 nan 8.380 nan 0.000 0.516 187 R N 0.324 120.837 120.500 0.022 0.000 2.585 187 R HA -0.023 4.317 4.340 -0.001 0.000 0.275 187 R C -0.693 175.610 176.300 0.004 0.000 1.018 187 R CA 0.050 56.157 56.100 0.012 0.000 1.072 187 R CB 0.509 30.816 30.300 0.011 0.000 0.953 187 R HN 0.266 nan 8.270 nan 0.000 0.419 188 E N 4.936 125.136 120.200 0.001 0.000 2.415 188 E HA 0.079 4.429 4.350 -0.001 0.000 0.263 188 E C -2.079 174.515 176.600 -0.010 0.000 0.995 188 E CA -1.208 55.187 56.400 -0.008 0.000 0.915 188 E CB 0.525 30.222 29.700 -0.005 0.000 0.951 188 E HN 0.559 nan 8.360 nan 0.000 0.449 189 P HA 0.056 nan 4.420 nan 0.000 0.268 189 P C 0.356 177.651 177.300 -0.010 0.000 1.208 189 P CA 0.285 63.381 63.100 -0.008 0.000 0.777 189 P CB 0.550 32.244 31.700 -0.010 0.000 0.875 190 A N 1.775 124.593 122.820 -0.004 0.000 1.930 190 A HA -0.098 4.222 4.320 -0.001 0.000 0.217 190 A C 1.069 178.644 177.584 -0.015 0.000 1.175 190 A CA 1.107 53.139 52.037 -0.008 0.000 0.627 190 A CB -0.706 18.291 19.000 -0.004 0.000 0.815 190 A HN 0.612 nan 8.150 nan 0.000 0.443 191 D N -0.261 120.129 120.400 -0.017 0.000 2.312 191 D HA 0.421 5.061 4.640 -0.001 0.000 0.252 191 D C 1.199 177.473 176.300 -0.045 0.000 1.150 191 D CA 0.439 54.422 54.000 -0.029 0.000 0.870 191 D CB 1.506 42.289 40.800 -0.028 0.000 1.153 191 D HN 0.126 nan 8.370 nan 0.000 0.457 192 A N 3.398 126.189 122.820 -0.048 0.000 1.972 192 A HA -0.144 4.176 4.320 -0.001 0.000 0.219 192 A C 2.061 179.593 177.584 -0.087 0.000 1.169 192 A CA 1.511 53.514 52.037 -0.057 0.000 0.635 192 A CB -0.304 18.667 19.000 -0.047 0.000 0.810 192 A HN 0.677 nan 8.150 nan 0.000 0.446 193 T N 0.257 114.747 114.554 -0.108 0.000 2.857 193 T HA -0.036 4.314 4.350 -0.001 0.000 0.266 193 T C 1.769 176.334 174.700 -0.224 0.000 1.048 193 T CA 1.177 63.174 62.100 -0.172 0.000 1.139 193 T CB -0.214 68.548 68.868 -0.176 0.000 0.874 193 T HN 0.306 nan 8.240 nan 0.000 0.455 194 I N 1.538 122.017 120.570 -0.152 0.000 2.226 194 I HA -0.075 4.094 4.170 -0.001 0.000 0.245 194 I C 2.507 178.552 176.117 -0.120 0.000 1.100 194 I CA 1.263 62.493 61.300 -0.116 0.000 1.374 194 I CB -1.053 36.934 38.000 -0.021 0.000 1.057 194 I HN 0.227 nan 8.210 nan 0.000 0.413 195 R N 0.481 120.926 120.500 -0.091 0.000 2.096 195 R HA -0.233 4.107 4.340 -0.001 0.000 0.240 195 R C 2.205 178.450 176.300 -0.091 0.000 1.139 195 R CA 1.764 57.820 56.100 -0.073 0.000 0.952 195 R CB -0.354 29.915 30.300 -0.051 0.000 0.854 195 R HN 0.468 nan 8.270 nan 0.000 0.436 196 E N 0.802 120.928 120.200 -0.125 0.000 2.077 196 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 196 E C 1.809 178.307 176.600 -0.170 0.000 0.989 196 E CA 1.256 57.583 56.400 -0.122 0.000 0.800 196 E CB 0.191 29.811 29.700 -0.133 0.000 0.746 196 E HN 0.235 nan 8.360 nan 0.000 0.452 197 K N 0.152 120.331 120.400 -0.368 0.000 2.026 197 K HA -0.169 4.150 4.320 -0.001 0.000 0.208 197 K C 2.361 178.810 176.600 -0.253 0.000 1.048 197 K CA 1.214 57.151 56.287 -0.584 0.000 0.929 197 K CB -0.169 31.536 32.500 -1.324 0.000 0.713 197 K HN -0.003 nan 8.250 nan 0.000 0.439 198 R N 0.713 121.106 120.500 -0.179 0.000 2.091 198 R HA -0.138 4.201 4.340 -0.001 0.000 0.238 198 R C 2.209 178.560 176.300 0.086 0.000 1.136 198 R CA 1.440 57.520 56.100 -0.034 0.000 0.959 198 R CB -0.223 30.003 30.300 -0.124 0.000 0.856 198 R HN 0.217 nan 8.270 nan 0.000 0.437 199 A N 0.861 123.713 122.820 0.053 0.000 1.972 199 A HA -0.197 4.122 4.320 -0.001 0.000 0.219 199 A C 1.986 179.644 177.584 0.124 0.000 1.169 199 A CA 1.684 53.780 52.037 0.099 0.000 0.635 199 A CB -0.352 18.680 19.000 0.053 0.000 0.810 199 A HN 0.237 nan 8.150 nan 0.000 0.446 200 K N 0.408 120.883 120.400 0.124 0.000 2.057 200 K HA -0.025 4.295 4.320 -0.001 0.000 0.207 200 K C 1.496 178.205 176.600 0.181 0.000 1.049 200 K CA 1.673 58.062 56.287 0.170 0.000 0.931 200 K CB -0.595 32.069 32.500 0.273 0.000 0.714 200 K HN 0.470 nan 8.250 nan 0.000 0.440 201 I N 0.758 121.452 120.570 0.208 0.000 2.286 201 I HA -0.248 3.922 4.170 -0.001 0.000 0.248 201 I C 2.447 178.678 176.117 0.189 0.000 1.115 201 I CA 1.327 62.755 61.300 0.213 0.000 1.392 201 I CB -0.259 37.914 38.000 0.288 0.000 1.065 201 I HN 0.214 nan 8.210 nan 0.000 0.418 202 K N 0.868 121.400 120.400 0.221 0.000 2.057 202 K HA -0.254 4.066 4.320 -0.001 0.000 0.207 202 K C 2.228 178.897 176.600 0.114 0.000 1.049 202 K CA 1.471 57.830 56.287 0.119 0.000 0.931 202 K CB -0.099 32.484 32.500 0.139 0.000 0.714 202 K HN 0.192 nan 8.250 nan 0.000 0.440 203 E N 0.783 121.067 120.200 0.140 0.000 2.110 203 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 203 E C 1.877 178.602 176.600 0.208 0.000 0.988 203 E CA 1.412 57.902 56.400 0.150 0.000 0.804 203 E CB -0.059 29.718 29.700 0.129 0.000 0.745 203 E HN 0.427 nan 8.360 nan 0.000 0.458 204 M N -0.364 119.367 119.600 0.220 0.000 2.159 204 M HA -0.176 4.304 4.480 -0.001 0.000 0.263 204 M C 2.411 178.923 176.300 0.354 0.000 1.063 204 M CA 1.328 56.827 55.300 0.330 0.000 1.110 204 M CB -0.257 32.493 32.600 0.250 0.000 1.374 204 M HN 0.096 nan 8.290 nan 0.000 0.411 205 M N 0.699 120.415 119.600 0.194 0.000 2.132 205 M HA -0.139 4.341 4.480 -0.001 0.000 0.263 205 M C 2.340 178.794 176.300 0.256 0.000 1.065 205 M CA 2.217 57.612 55.300 0.159 0.000 1.122 205 M CB -0.645 31.959 32.600 0.007 0.000 1.365 205 M HN 0.413 nan 8.290 nan 0.000 0.411 206 T N -2.634 112.058 114.554 0.231 0.000 2.833 206 T HA -0.230 4.120 4.350 -0.001 0.000 0.269 206 T C 1.832 176.720 174.700 0.313 0.000 1.054 206 T CA 1.949 64.204 62.100 0.259 0.000 1.135 206 T CB -0.894 68.086 68.868 0.187 0.000 0.869 206 T HN 0.626 nan 8.240 nan 0.000 0.466 207 H N 1.766 120.987 119.070 0.251 0.000 2.326 207 H HA 0.283 4.839 4.556 -0.000 0.000 0.301 207 H C 2.446 177.953 175.328 0.298 0.000 1.081 207 H CA 1.667 57.857 56.048 0.237 0.000 1.334 207 H CB -0.714 29.186 29.762 0.229 0.000 1.385 207 H HN 0.449 nan 8.280 nan 0.000 0.504 208 A N 1.063 124.170 122.820 0.477 0.000 1.877 208 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 208 A C 2.481 180.271 177.584 0.345 0.000 1.186 208 A CA 1.362 53.666 52.037 0.446 0.000 0.620 208 A CB -1.448 17.893 19.000 0.569 0.000 0.822 208 A HN 0.802 nan 8.150 nan 0.000 0.443 209 W N 0.990 122.395 121.300 0.175 0.000 2.378 209 W HA -0.170 4.490 4.660 -0.001 0.000 0.313 209 W C 1.559 178.177 176.519 0.165 0.000 1.197 209 W CA 1.781 59.231 57.345 0.175 0.000 1.304 209 W CB -0.334 29.203 29.460 0.129 0.000 1.148 209 W HN 0.377 nan 8.180 nan 0.000 0.494 210 N N 0.768 119.550 118.700 0.136 0.000 2.223 210 N HA -0.183 4.556 4.740 -0.001 0.000 0.185 210 N C 1.288 176.695 175.510 -0.172 0.000 1.016 210 N CA 1.401 54.417 53.050 -0.057 0.000 0.863 210 N CB -0.957 37.548 38.487 0.030 0.000 0.983 210 N HN 0.282 nan 8.380 nan 0.000 0.429 211 N N -0.023 118.611 118.700 -0.110 0.000 2.216 211 N HA -0.135 4.605 4.740 -0.001 0.000 0.183 211 N C 1.666 177.150 175.510 -0.044 0.000 1.017 211 N CA 0.447 53.441 53.050 -0.093 0.000 0.861 211 N CB -0.273 38.163 38.487 -0.085 0.000 0.986 211 N HN 0.324 nan 8.380 nan 0.000 0.428 212 Y N 2.479 122.709 120.300 -0.116 0.000 2.128 212 Y HA -0.236 4.314 4.550 -0.001 0.000 0.284 212 Y C 2.539 178.319 175.900 -0.199 0.000 1.154 212 Y CA 1.907 59.927 58.100 -0.133 0.000 1.149 212 Y CB -0.267 38.093 38.460 -0.167 0.000 0.976 212 Y HN -0.100 nan 8.280 nan 0.000 0.505 213 K N -0.116 119.989 120.400 -0.492 0.000 2.097 213 K HA -0.256 4.064 4.320 -0.001 0.000 0.206 213 K C 2.346 178.654 176.600 -0.487 0.000 1.049 213 K CA 1.509 57.490 56.287 -0.509 0.000 0.933 213 K CB -0.218 31.889 32.500 -0.655 0.000 0.717 213 K HN 0.186 nan 8.250 nan 0.000 0.442 214 R N -0.276 119.914 120.500 -0.517 0.000 2.075 214 R HA -0.122 4.218 4.340 -0.001 0.000 0.232 214 R C 1.080 176.966 176.300 -0.690 0.000 1.126 214 R CA 1.844 57.534 56.100 -0.684 0.000 0.963 214 R CB -0.306 29.414 30.300 -0.967 0.000 0.858 214 R HN 0.356 nan 8.270 nan 0.000 0.435 215 Y N -2.601 117.567 120.300 -0.220 0.000 2.426 215 Y HA 0.512 5.062 4.550 -0.001 0.000 0.249 215 Y C 0.853 176.632 175.900 -0.201 0.000 1.103 215 Y CA 0.072 58.068 58.100 -0.174 0.000 1.256 215 Y CB 0.757 39.137 38.460 -0.133 0.000 1.208 215 Y HN 0.171 nan 8.280 nan 0.000 0.519 216 A N -1.364 121.311 122.820 -0.242 0.000 2.569 216 A HA 0.094 4.414 4.320 -0.001 0.000 0.284 216 A C -0.479 176.747 177.584 -0.596 0.000 0.948 216 A CA -0.489 51.353 52.037 -0.326 0.000 1.007 216 A CB -0.506 18.360 19.000 -0.224 0.000 1.232 216 A HN 0.418 nan 8.150 nan 0.000 0.530 217 W N 0.887 121.746 121.300 -0.735 0.000 2.347 217 W HA 0.293 4.952 4.660 -0.001 0.000 0.333 217 W C 0.980 177.238 176.519 -0.435 0.000 1.383 217 W CA 2.280 59.203 57.345 -0.703 0.000 1.283 217 W CB 0.239 29.417 29.460 -0.470 0.000 1.253 217 W HN 0.943 nan 8.180 nan 0.000 0.563 218 G N 3.977 112.122 108.800 -1.091 0.000 2.284 218 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.247 218 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.247 218 G C 0.105 174.811 174.900 -0.324 0.000 1.012 218 G CA 0.331 44.901 45.100 -0.883 0.000 0.618 218 G HN 0.508 nan 8.290 nan 0.000 0.521 219 L N 0.470 121.587 121.223 -0.178 0.000 2.456 219 L HA 0.378 4.718 4.340 -0.001 0.000 0.257 219 L C 1.727 178.645 176.870 0.081 0.000 1.162 219 L CA -0.888 53.949 54.840 -0.004 0.000 0.808 219 L CB 0.319 42.385 42.059 0.012 0.000 1.136 219 L HN -0.011 nan 8.230 nan 0.000 0.466 220 N N 0.220 118.995 118.700 0.125 0.000 2.142 220 N HA -0.061 4.679 4.740 -0.001 0.000 0.186 220 N C -0.045 175.537 175.510 0.120 0.000 1.023 220 N CA 1.196 54.314 53.050 0.113 0.000 0.852 220 N CB 0.182 38.819 38.487 0.251 0.000 0.998 220 N HN 0.590 nan 8.380 nan 0.000 0.424 221 E N -1.131 119.212 120.200 0.239 0.000 2.458 221 E HA 0.376 4.725 4.350 -0.001 0.000 0.278 221 E C -1.461 175.314 176.600 0.292 0.000 1.004 221 E CA -0.822 55.722 56.400 0.239 0.000 0.823 221 E CB 2.105 31.950 29.700 0.242 0.000 1.396 221 E HN -0.123 nan 8.360 nan 0.000 0.463 222 L N 0.819 122.187 121.223 0.242 0.000 2.325 222 L HA 0.419 4.758 4.340 -0.001 0.000 0.278 222 L C -1.139 175.767 176.870 0.059 0.000 1.023 222 L CA -0.239 54.705 54.840 0.173 0.000 0.811 222 L CB 1.032 43.214 42.059 0.205 0.000 1.249 222 L HN 0.325 nan 8.230 nan 0.000 0.431 223 K N 6.937 127.356 120.400 0.031 0.000 2.266 223 K HA 0.317 4.636 4.320 -0.001 0.000 0.274 223 K C -1.909 174.637 176.600 -0.090 0.000 1.090 223 K CA -1.469 54.793 56.287 -0.041 0.000 0.925 223 K CB 1.107 33.603 32.500 -0.007 0.000 1.225 223 K HN 0.491 nan 8.250 nan 0.000 0.458 224 P HA -0.091 nan 4.420 nan 0.000 0.227 224 P C 0.981 178.153 177.300 -0.214 0.000 1.161 224 P CA 0.773 63.784 63.100 -0.150 0.000 0.788 224 P CB 0.257 31.878 31.700 -0.131 0.000 0.822 225 I N -0.059 120.397 120.570 -0.191 0.000 2.339 225 I HA -0.054 4.115 4.170 -0.001 0.000 0.245 225 I C 2.189 178.202 176.117 -0.174 0.000 1.096 225 I CA 1.204 62.394 61.300 -0.184 0.000 1.408 225 I CB -1.832 36.092 38.000 -0.126 0.000 1.092 225 I HN -0.066 nan 8.210 nan 0.000 0.423 226 S N 0.335 115.949 115.700 -0.144 0.000 2.453 226 S HA -0.061 4.409 4.470 -0.001 0.000 0.231 226 S C 0.594 175.067 174.600 -0.211 0.000 1.005 226 S CA 0.225 58.345 58.200 -0.133 0.000 0.949 226 S CB -0.196 62.960 63.200 -0.074 0.000 0.774 226 S HN 0.344 nan 8.310 nan 0.000 0.510 227 K N 1.020 121.231 120.400 -0.316 0.000 3.244 227 K HA -0.178 4.142 4.320 -0.001 0.000 0.270 227 K C -0.548 175.896 176.600 -0.260 0.000 1.016 227 K CA 0.623 56.565 56.287 -0.575 0.000 0.754 227 K CB -1.286 30.564 32.500 -1.083 0.000 1.326 227 K HN 0.525 nan 8.250 nan 0.000 0.465 228 E N -1.310 118.830 120.200 -0.099 0.000 2.460 228 E HA 0.479 4.829 4.350 -0.001 0.000 0.277 228 E C 0.189 176.808 176.600 0.032 0.000 1.010 228 E CA -0.933 55.462 56.400 -0.008 0.000 0.838 228 E CB 1.358 31.052 29.700 -0.008 0.000 1.448 228 E HN 0.210 nan 8.360 nan 0.000 0.462 229 G N -0.098 108.727 108.800 0.042 0.000 2.539 229 G HA2 0.286 4.246 3.960 -0.001 0.000 0.258 229 G HA3 0.286 4.246 3.960 -0.001 0.000 0.258 229 G C -1.139 173.843 174.900 0.136 0.000 1.202 229 G CA 0.274 45.420 45.100 0.077 0.000 0.851 229 G HN 0.442 nan 8.290 nan 0.000 0.556 230 H N -0.621 118.487 119.070 0.064 0.000 2.609 230 H HA 0.558 5.113 4.556 -0.000 0.000 0.344 230 H C -0.709 174.689 175.328 0.117 0.000 1.040 230 H CA -0.542 55.550 56.048 0.072 0.000 1.216 230 H CB 1.610 31.410 29.762 0.064 0.000 1.529 230 H HN 0.293 nan 8.280 nan 0.000 0.519 231 S N 3.589 119.125 115.700 -0.274 0.000 2.406 231 S HA 0.144 4.613 4.470 -0.001 0.000 0.224 231 S C -0.418 174.081 174.600 -0.169 0.000 1.426 231 S CA -0.647 57.505 58.200 -0.080 0.000 1.179 231 S CB 0.537 63.733 63.200 -0.005 0.000 1.042 231 S HN 0.702 nan 8.310 nan 0.000 0.479 232 S N 2.271 117.921 115.700 -0.083 0.000 2.560 232 S HA 0.060 4.530 4.470 -0.001 0.000 0.284 232 S C 1.552 176.093 174.600 -0.098 0.000 1.327 232 S CA -0.178 57.950 58.200 -0.120 0.000 1.055 232 S CB 0.415 63.525 63.200 -0.151 0.000 0.868 232 S HN 0.742 nan 8.310 nan 0.000 0.506 233 S N 5.023 120.685 115.700 -0.063 0.000 2.474 233 S HA -0.049 4.420 4.470 -0.001 0.000 0.235 233 S C 1.686 176.272 174.600 -0.022 0.000 0.997 233 S CA 0.673 58.870 58.200 -0.005 0.000 0.949 233 S CB -0.613 62.615 63.200 0.048 0.000 0.766 233 S HN 0.744 nan 8.310 nan 0.000 0.517 234 L N -0.633 120.491 121.223 -0.165 0.000 2.191 234 L HA 0.017 4.357 4.340 -0.001 0.000 0.212 234 L C 1.401 178.212 176.870 -0.098 0.000 1.103 234 L CA 1.052 55.784 54.840 -0.180 0.000 0.769 234 L CB -0.558 41.267 42.059 -0.391 0.000 0.908 234 L HN 0.313 nan 8.230 nan 0.000 0.438 235 F N -0.590 119.467 119.950 0.178 0.000 2.695 235 F HA 0.379 4.905 4.527 -0.001 0.000 0.303 235 F C 1.831 177.691 175.800 0.099 0.000 1.091 235 F CA -0.108 57.996 58.000 0.173 0.000 1.300 235 F CB -0.965 38.189 39.000 0.256 0.000 1.071 235 F HN 0.077 nan 8.300 nan 0.000 0.578 236 G N 1.590 110.505 108.800 0.191 0.000 2.651 236 G HA2 -0.406 3.554 3.960 -0.001 0.000 0.315 236 G HA3 -0.406 3.554 3.960 -0.001 0.000 0.315 236 G C 0.982 175.961 174.900 0.132 0.000 1.258 236 G CA 0.837 46.010 45.100 0.122 0.000 1.002 236 G HN 0.305 nan 8.290 nan 0.000 0.551 237 N N 0.922 119.682 118.700 0.100 0.000 2.230 237 N HA 0.251 4.991 4.740 -0.001 0.000 0.202 237 N C 0.925 176.485 175.510 0.084 0.000 1.119 237 N CA 0.082 53.183 53.050 0.085 0.000 0.851 237 N CB 0.073 38.592 38.487 0.054 0.000 0.990 237 N HN 0.578 nan 8.380 nan 0.000 0.497 238 I N 1.026 121.650 120.570 0.090 0.000 2.754 238 I HA -0.038 4.132 4.170 -0.001 0.000 0.285 238 I C 0.785 176.981 176.117 0.131 0.000 1.166 238 I CA 0.262 61.584 61.300 0.037 0.000 1.417 238 I CB 0.508 38.425 38.000 -0.140 0.000 1.382 238 I HN -0.281 nan 8.210 nan 0.000 0.588 239 K N 2.793 123.301 120.400 0.181 0.000 2.238 239 K HA 0.447 4.767 4.320 -0.001 0.000 0.239 239 K C 0.495 177.334 176.600 0.399 0.000 0.987 239 K CA -0.270 56.193 56.287 0.292 0.000 0.857 239 K CB 1.478 34.203 32.500 0.376 0.000 1.154 239 K HN 0.877 nan 8.250 nan 0.000 0.439 240 G N 0.496 109.355 108.800 0.098 0.000 2.176 240 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.252 240 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.252 240 G C 0.953 175.730 174.900 -0.206 0.000 1.024 240 G CA 0.795 45.724 45.100 -0.286 0.000 0.755 240 G HN 0.650 nan 8.290 nan 0.000 0.507 241 A N -0.681 122.020 122.820 -0.199 0.000 1.892 241 A HA -0.027 4.293 4.320 -0.001 0.000 0.218 241 A C 2.500 179.754 177.584 -0.550 0.000 1.188 241 A CA 2.898 54.534 52.037 -0.668 0.000 0.631 241 A CB -0.780 17.713 19.000 -0.845 0.000 0.822 241 A HN 0.882 nan 8.150 nan 0.000 0.447 242 T N 0.018 114.296 114.554 -0.461 0.000 2.867 242 T HA -0.024 4.326 4.350 -0.001 0.000 0.268 242 T C 1.760 176.227 174.700 -0.389 0.000 1.057 242 T CA 1.288 63.086 62.100 -0.503 0.000 1.136 242 T CB -0.384 67.945 68.868 -0.898 0.000 0.874 242 T HN 0.441 nan 8.240 nan 0.000 0.466 243 I N 0.706 121.024 120.570 -0.421 0.000 2.142 243 I HA -0.162 4.008 4.170 -0.001 0.000 0.240 243 I C 2.432 178.499 176.117 -0.083 0.000 1.078 243 I CA 1.094 62.313 61.300 -0.134 0.000 1.343 243 I CB -0.445 37.302 38.000 -0.421 0.000 1.046 243 I HN 0.090 nan 8.210 nan 0.000 0.405 244 V N 0.395 120.201 119.914 -0.180 0.000 2.358 244 V HA -0.276 3.844 4.120 -0.001 0.000 0.246 244 V C 2.073 178.043 176.094 -0.206 0.000 1.047 244 V CA 1.946 64.147 62.300 -0.165 0.000 1.035 244 V CB -0.607 31.100 31.823 -0.192 0.000 0.658 244 V HN 0.374 nan 8.190 nan 0.000 0.452 245 D N 0.184 120.453 120.400 -0.218 0.000 2.178 245 D HA -0.074 4.566 4.640 -0.001 0.000 0.201 245 D C 2.015 178.349 176.300 0.057 0.000 0.980 245 D CA 1.392 55.379 54.000 -0.021 0.000 0.842 245 D CB -0.041 40.726 40.800 -0.056 0.000 0.948 245 D HN 0.429 nan 8.370 nan 0.000 0.472 246 A N -0.404 122.395 122.820 -0.035 0.000 2.178 246 A HA 0.091 4.410 4.320 -0.001 0.000 0.211 246 A C 2.193 179.711 177.584 -0.111 0.000 1.157 246 A CA 0.010 52.008 52.037 -0.065 0.000 0.780 246 A CB -0.331 18.633 19.000 -0.060 0.000 0.828 246 A HN 0.204 nan 8.150 nan 0.000 0.476 247 L N 0.574 121.743 121.223 -0.089 0.000 1.990 247 L HA -0.281 4.058 4.340 -0.001 0.000 0.213 247 L C 2.498 179.436 176.870 0.114 0.000 1.072 247 L CA 2.000 56.818 54.840 -0.037 0.000 0.755 247 L CB -0.633 41.319 42.059 -0.179 0.000 0.889 247 L HN 0.616 nan 8.230 nan 0.000 0.432 248 D N -1.965 118.451 120.400 0.026 0.000 2.183 248 D HA -0.148 4.492 4.640 -0.001 0.000 0.203 248 D C 1.870 178.170 176.300 -0.000 0.000 0.969 248 D CA 1.592 55.604 54.000 0.020 0.000 0.842 248 D CB -0.765 40.034 40.800 -0.003 0.000 0.957 248 D HN 0.165 nan 8.370 nan 0.000 0.484 249 T N 1.023 115.548 114.554 -0.048 0.000 2.708 249 T HA -0.042 4.307 4.350 -0.001 0.000 0.266 249 T C 2.125 176.715 174.700 -0.183 0.000 1.037 249 T CA 1.053 63.073 62.100 -0.133 0.000 1.146 249 T CB -0.418 68.355 68.868 -0.159 0.000 0.865 249 T HN 0.139 nan 8.240 nan 0.000 0.435 250 L N -0.162 120.958 121.223 -0.172 0.000 2.013 250 L HA -0.104 4.236 4.340 -0.001 0.000 0.212 250 L C 2.281 179.069 176.870 -0.138 0.000 1.073 250 L CA 1.565 56.284 54.840 -0.202 0.000 0.753 250 L CB -0.645 41.276 42.059 -0.231 0.000 0.890 250 L HN 0.182 nan 8.230 nan 0.000 0.432 251 F N 1.165 120.984 119.950 -0.219 0.000 2.102 251 F HA -0.246 4.280 4.527 -0.000 0.000 0.298 251 F C 2.376 178.009 175.800 -0.279 0.000 1.105 251 F CA 2.026 59.796 58.000 -0.383 0.000 1.239 251 F CB -0.132 38.538 39.000 -0.550 0.000 0.991 251 F HN 0.053 nan 8.300 nan 0.000 0.474 252 I N -1.810 118.738 120.570 -0.036 0.000 2.676 252 I HA -0.153 4.016 4.170 -0.001 0.000 0.259 252 I C 1.802 177.816 176.117 -0.172 0.000 1.194 252 I CA 1.224 62.488 61.300 -0.059 0.000 1.473 252 I CB -0.563 37.439 38.000 0.004 0.000 1.096 252 I HN 0.116 nan 8.210 nan 0.000 0.443 253 M N 1.465 120.851 119.600 -0.357 0.000 2.618 253 M HA 0.223 4.703 4.480 -0.001 0.000 0.240 253 M C 1.415 177.570 176.300 -0.241 0.000 1.123 253 M CA 0.889 55.902 55.300 -0.479 0.000 1.060 253 M CB -0.007 32.214 32.600 -0.630 0.000 1.535 253 M HN 0.618 nan 8.290 nan 0.000 0.507 254 G N 1.376 110.017 108.800 -0.265 0.000 2.160 254 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.251 254 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.251 254 G C 0.131 174.906 174.900 -0.208 0.000 1.008 254 G CA -0.097 44.851 45.100 -0.253 0.000 0.724 254 G HN 0.485 nan 8.290 nan 0.000 0.514 255 M N 0.356 119.831 119.600 -0.209 0.000 3.422 255 M HA 0.258 4.738 4.480 -0.001 0.000 0.248 255 M C 1.458 177.709 176.300 -0.083 0.000 1.433 255 M CA -0.260 54.958 55.300 -0.136 0.000 1.592 255 M CB 0.411 32.909 32.600 -0.170 0.000 1.078 255 M HN -0.065 nan 8.290 nan 0.000 0.578 256 K N 0.090 120.446 120.400 -0.074 0.000 2.137 256 K HA 0.029 4.349 4.320 -0.001 0.000 0.202 256 K C 1.734 178.404 176.600 0.117 0.000 1.052 256 K CA 1.156 57.437 56.287 -0.011 0.000 0.961 256 K CB -0.265 32.186 32.500 -0.081 0.000 0.741 256 K HN 0.429 nan 8.250 nan 0.000 0.452 257 T N 1.920 116.521 114.554 0.079 0.000 2.684 257 T HA -0.138 4.211 4.350 -0.001 0.000 0.267 257 T C 1.668 176.462 174.700 0.157 0.000 1.036 257 T CA 1.653 63.818 62.100 0.107 0.000 1.148 257 T CB -0.124 68.787 68.868 0.073 0.000 0.863 257 T HN 0.270 nan 8.240 nan 0.000 0.436 258 E N 0.560 120.843 120.200 0.138 0.000 2.077 258 E HA -0.032 4.317 4.350 -0.001 0.000 0.193 258 E C 1.696 178.415 176.600 0.199 0.000 0.989 258 E CA 0.755 57.260 56.400 0.174 0.000 0.800 258 E CB -0.430 29.223 29.700 -0.079 0.000 0.746 258 E HN 0.511 nan 8.360 nan 0.000 0.452 259 F N 1.345 121.305 119.950 0.017 0.000 2.171 259 F HA -0.206 4.321 4.527 -0.000 0.000 0.300 259 F C 2.081 178.012 175.800 0.219 0.000 1.090 259 F CA 1.263 59.318 58.000 0.091 0.000 1.293 259 F CB 0.150 39.211 39.000 0.102 0.000 1.013 259 F HN -0.060 nan 8.300 nan 0.000 0.486 260 Q N 0.541 120.536 119.800 0.327 0.000 2.119 260 Q HA -0.179 4.160 4.340 -0.001 0.000 0.201 260 Q C 2.134 178.261 176.000 0.212 0.000 0.972 260 Q CA 1.730 57.676 55.803 0.238 0.000 0.847 260 Q CB -0.481 28.392 28.738 0.224 0.000 0.903 260 Q HN 0.594 nan 8.270 nan 0.000 0.433 261 E N 0.543 120.899 120.200 0.260 0.000 2.110 261 E HA -0.125 4.225 4.350 -0.001 0.000 0.193 261 E C 1.911 178.830 176.600 0.532 0.000 0.988 261 E CA 0.921 57.521 56.400 0.333 0.000 0.804 261 E CB -0.047 29.812 29.700 0.265 0.000 0.745 261 E HN 0.310 nan 8.360 nan 0.000 0.458 262 A N 1.760 124.889 122.820 0.515 0.000 1.898 262 A HA -0.215 4.104 4.320 -0.001 0.000 0.216 262 A C 2.070 179.871 177.584 0.361 0.000 1.181 262 A CA 1.491 53.839 52.037 0.518 0.000 0.620 262 A CB -0.354 18.848 19.000 0.336 0.000 0.819 262 A HN 0.051 nan 8.150 nan 0.000 0.442 263 K N -0.110 120.391 120.400 0.169 0.000 2.063 263 K HA -0.128 4.192 4.320 -0.001 0.000 0.208 263 K C 2.167 178.834 176.600 0.112 0.000 1.048 263 K CA 1.667 58.012 56.287 0.098 0.000 0.928 263 K CB -0.193 32.289 32.500 -0.030 0.000 0.713 263 K HN 0.429 nan 8.250 nan 0.000 0.442 264 S N 0.148 115.959 115.700 0.186 0.000 2.382 264 S HA -0.160 4.310 4.470 -0.001 0.000 0.228 264 S C 1.230 175.972 174.600 0.237 0.000 1.027 264 S CA 1.246 59.546 58.200 0.167 0.000 0.991 264 S CB -0.346 62.969 63.200 0.191 0.000 0.823 264 S HN 0.556 nan 8.310 nan 0.000 0.469 265 W N 2.116 123.567 121.300 0.250 0.000 2.381 265 W HA -0.021 4.639 4.660 -0.000 0.000 0.301 265 W C 1.637 178.257 176.519 0.169 0.000 1.205 265 W CA 0.935 58.462 57.345 0.304 0.000 1.285 265 W CB -0.323 29.295 29.460 0.262 0.000 1.133 265 W HN 0.175 nan 8.180 nan 0.000 0.521 266 I N 0.625 121.375 120.570 0.300 0.000 2.179 266 I HA -0.369 3.801 4.170 -0.001 0.000 0.242 266 I C 2.681 178.683 176.117 -0.192 0.000 1.088 266 I CA 1.894 63.239 61.300 0.075 0.000 1.357 266 I CB -1.009 37.150 38.000 0.266 0.000 1.051 266 I HN -0.171 nan 8.210 nan 0.000 0.409 267 K N 1.342 121.648 120.400 -0.157 0.000 2.103 267 K HA -0.236 4.084 4.320 -0.001 0.000 0.207 267 K C 2.385 178.791 176.600 -0.323 0.000 1.048 267 K CA 2.044 58.201 56.287 -0.217 0.000 0.930 267 K CB -0.658 31.737 32.500 -0.174 0.000 0.716 267 K HN 0.535 nan 8.250 nan 0.000 0.444 268 K N -1.525 118.610 120.400 -0.442 0.000 2.211 268 K HA 0.086 4.406 4.320 -0.001 0.000 0.201 268 K C 1.922 177.935 176.600 -0.978 0.000 1.052 268 K CA 1.495 57.336 56.287 -0.742 0.000 0.973 268 K CB -0.297 31.620 32.500 -0.970 0.000 0.766 268 K HN 0.648 nan 8.250 nan 0.000 0.466 269 Y N -1.847 118.018 120.300 -0.724 0.000 2.425 269 Y HA 0.339 4.888 4.550 -0.001 0.000 0.261 269 Y C 0.364 175.727 175.900 -0.895 0.000 1.084 269 Y CA -1.379 56.188 58.100 -0.890 0.000 1.248 269 Y CB 0.569 38.222 38.460 -1.346 0.000 1.270 269 Y HN 0.112 nan 8.280 nan 0.000 0.524 270 L N 2.408 123.181 121.223 -0.750 0.000 2.385 270 L HA 0.313 4.653 4.340 -0.001 0.000 0.281 270 L C -0.785 175.707 176.870 -0.631 0.000 1.106 270 L CA 0.331 54.852 54.840 -0.532 0.000 0.856 270 L CB 0.002 41.900 42.059 -0.268 0.000 1.186 270 L HN 0.010 nan 8.230 nan 0.000 0.453 271 D N 3.754 123.780 120.400 -0.623 0.000 2.757 271 D HA 0.241 4.881 4.640 -0.001 0.000 0.249 271 D C -0.046 175.923 176.300 -0.551 0.000 1.168 271 D CA -0.305 53.370 54.000 -0.542 0.000 0.870 271 D CB 0.944 41.587 40.800 -0.262 0.000 1.411 271 D HN 0.348 nan 8.370 nan 0.000 0.525 272 F N 1.307 121.223 119.950 -0.058 0.000 2.749 272 F HA 0.210 4.737 4.527 -0.001 0.000 0.300 272 F C 1.366 177.145 175.800 -0.034 0.000 1.103 272 F CA -0.454 57.510 58.000 -0.061 0.000 1.342 272 F CB -0.306 38.659 39.000 -0.057 0.000 1.098 272 F HN 0.231 nan 8.300 nan 0.000 0.586 273 N N 1.953 120.700 118.700 0.078 0.000 2.895 273 N HA 0.241 4.981 4.740 -0.001 0.000 0.277 273 N C -0.893 174.633 175.510 0.026 0.000 1.185 273 N CA 0.049 53.129 53.050 0.050 0.000 1.106 273 N CB -0.084 38.415 38.487 0.021 0.000 1.422 273 N HN 0.041 nan 8.380 nan 0.000 0.521 274 V N 0.107 120.046 119.914 0.041 0.000 2.876 274 V HA 0.574 4.694 4.120 -0.001 0.000 0.312 274 V C -0.150 175.962 176.094 0.031 0.000 1.085 274 V CA -1.237 61.080 62.300 0.029 0.000 0.945 274 V CB 1.966 33.807 31.823 0.031 0.000 1.017 274 V HN 0.276 nan 8.190 nan 0.000 0.428 275 N N 2.272 120.985 118.700 0.021 0.000 3.229 275 N HA 0.742 5.481 4.740 -0.001 0.000 0.275 275 N C -0.431 175.087 175.510 0.013 0.000 1.225 275 N CA 0.634 53.693 53.050 0.015 0.000 1.119 275 N CB 0.325 38.817 38.487 0.009 0.000 1.392 275 N HN 1.313 nan 8.380 nan 0.000 0.520 276 A N 0.937 123.767 122.820 0.016 0.000 2.601 276 A HA 0.477 4.796 4.320 -0.001 0.000 0.291 276 A C -0.959 176.629 177.584 0.007 0.000 1.075 276 A CA -0.782 51.262 52.037 0.012 0.000 0.671 276 A CB 0.965 19.981 19.000 0.028 0.000 1.277 276 A HN 0.394 nan 8.150 nan 0.000 0.417 277 E N 0.013 120.207 120.200 -0.009 0.000 2.301 277 E HA 0.475 4.825 4.350 -0.001 0.000 0.275 277 E C -0.346 176.253 176.600 -0.001 0.000 1.030 277 E CA -0.455 55.927 56.400 -0.030 0.000 0.852 277 E CB 1.726 31.380 29.700 -0.077 0.000 1.060 277 E HN 0.823 nan 8.360 nan 0.000 0.401 278 V N -0.460 119.457 119.914 0.006 0.000 3.001 278 V HA 0.500 4.619 4.120 -0.001 0.000 0.314 278 V C -0.178 175.938 176.094 0.035 0.000 1.099 278 V CA -1.045 61.290 62.300 0.059 0.000 0.989 278 V CB 1.916 33.805 31.823 0.111 0.000 1.040 278 V HN 0.589 nan 8.190 nan 0.000 0.434 279 S N 1.802 117.563 115.700 0.102 0.000 2.455 279 S HA 0.245 4.715 4.470 -0.001 0.000 0.278 279 S C 0.953 175.675 174.600 0.204 0.000 1.216 279 S CA 0.019 58.311 58.200 0.154 0.000 1.055 279 S CB 0.667 64.054 63.200 0.311 0.000 0.939 279 S HN 0.885 nan 8.310 nan 0.000 0.494 280 V N 6.604 126.617 119.914 0.164 0.000 2.287 280 V HA -0.144 3.976 4.120 -0.001 0.000 0.248 280 V C 1.883 178.138 176.094 0.268 0.000 1.053 280 V CA 2.400 64.806 62.300 0.176 0.000 1.027 280 V CB -1.201 30.676 31.823 0.089 0.000 0.646 280 V HN 0.973 nan 8.190 nan 0.000 0.447 281 F N 1.469 121.515 119.950 0.160 0.000 2.069 281 F HA -0.198 4.329 4.527 -0.001 0.000 0.298 281 F C 2.486 178.433 175.800 0.245 0.000 1.113 281 F CA 2.173 60.281 58.000 0.181 0.000 1.214 281 F CB -0.392 38.703 39.000 0.158 0.000 0.978 281 F HN 0.153 nan 8.300 nan 0.000 0.474 282 E N 0.231 120.445 120.200 0.024 0.000 2.072 282 E HA -0.123 4.226 4.350 -0.001 0.000 0.191 282 E C 2.547 179.294 176.600 0.245 0.000 0.985 282 E CA 1.422 57.817 56.400 -0.009 0.000 0.801 282 E CB -0.738 29.122 29.700 0.266 0.000 0.750 282 E HN 0.397 nan 8.360 nan 0.000 0.452 283 V N 2.097 122.213 119.914 0.337 0.000 2.427 283 V HA -0.241 3.879 4.120 -0.001 0.000 0.248 283 V C 2.249 178.539 176.094 0.326 0.000 1.051 283 V CA 1.822 64.366 62.300 0.406 0.000 1.048 283 V CB -0.663 31.311 31.823 0.253 0.000 0.666 283 V HN 0.234 nan 8.190 nan 0.000 0.456 284 N N 1.065 119.922 118.700 0.262 0.000 2.058 284 N HA -0.179 4.560 4.740 -0.001 0.000 0.191 284 N C 1.772 177.453 175.510 0.284 0.000 1.037 284 N CA 2.342 55.572 53.050 0.300 0.000 0.848 284 N CB -0.317 38.391 38.487 0.369 0.000 1.021 284 N HN 0.634 nan 8.380 nan 0.000 0.422 285 I N -2.590 118.082 120.570 0.170 0.000 2.439 285 I HA -0.026 4.144 4.170 -0.001 0.000 0.251 285 I C 1.928 178.201 176.117 0.261 0.000 1.139 285 I CA 0.845 62.261 61.300 0.193 0.000 1.438 285 I CB -0.156 37.825 38.000 -0.031 0.000 1.085 285 I HN 0.058 nan 8.210 nan 0.000 0.427 286 R N 0.345 120.968 120.500 0.205 0.000 2.055 286 R HA 0.161 4.501 4.340 -0.001 0.000 0.221 286 R C 2.139 178.458 176.300 0.033 0.000 1.154 286 R CA 1.188 57.375 56.100 0.144 0.000 0.975 286 R CB -0.498 29.809 30.300 0.011 0.000 0.869 286 R HN 0.281 nan 8.270 nan 0.000 0.437 287 F N 0.605 120.607 119.950 0.087 0.000 2.147 287 F HA -0.090 4.437 4.527 -0.000 0.000 0.291 287 F C 2.464 178.285 175.800 0.036 0.000 1.093 287 F CA 0.768 58.805 58.000 0.061 0.000 1.263 287 F CB -0.491 38.563 39.000 0.090 0.000 1.036 287 F HN -0.263 nan 8.300 nan 0.000 0.481 288 V N 0.056 120.111 119.914 0.234 0.000 2.295 288 V HA -0.251 3.869 4.120 -0.001 0.000 0.246 288 V C 2.622 178.795 176.094 0.132 0.000 1.049 288 V CA 2.103 64.469 62.300 0.111 0.000 1.024 288 V CB -1.584 30.293 31.823 0.090 0.000 0.648 288 V HN 0.501 nan 8.190 nan 0.000 0.447 289 G N -0.105 108.848 108.800 0.255 0.000 2.402 289 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.216 289 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.216 289 G C 1.622 176.536 174.900 0.024 0.000 1.162 289 G CA 0.905 46.257 45.100 0.420 0.000 0.777 289 G HN 0.588 nan 8.290 nan 0.000 0.539 290 G N 0.824 109.372 108.800 -0.420 0.000 2.418 290 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.217 290 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.217 290 G C 1.811 176.513 174.900 -0.329 0.000 1.158 290 G CA 0.710 45.315 45.100 -0.825 0.000 0.771 290 G HN 0.419 nan 8.290 nan 0.000 0.545 291 L N -0.132 121.019 121.223 -0.120 0.000 2.056 291 L HA 0.033 4.373 4.340 -0.001 0.000 0.207 291 L C 2.894 179.744 176.870 -0.034 0.000 1.078 291 L CA 0.445 55.267 54.840 -0.030 0.000 0.749 291 L CB -0.394 41.732 42.059 0.112 0.000 0.901 291 L HN 0.169 nan 8.230 nan 0.000 0.433 292 L N -0.973 120.237 121.223 -0.021 0.000 2.012 292 L HA -0.221 4.119 4.340 -0.001 0.000 0.210 292 L C 2.734 179.677 176.870 0.121 0.000 1.073 292 L CA 1.303 56.120 54.840 -0.039 0.000 0.748 292 L CB -0.531 41.416 42.059 -0.187 0.000 0.891 292 L HN 0.192 nan 8.230 nan 0.000 0.431 293 S N -0.250 115.578 115.700 0.214 0.000 2.368 293 S HA -0.154 4.315 4.470 -0.001 0.000 0.225 293 S C 2.177 176.775 174.600 -0.003 0.000 1.030 293 S CA 1.137 59.473 58.200 0.227 0.000 0.999 293 S CB -0.304 62.995 63.200 0.165 0.000 0.844 293 S HN 0.495 nan 8.310 nan 0.000 0.459 294 A N 0.584 123.288 122.820 -0.193 0.000 1.902 294 A HA -0.145 4.174 4.320 -0.001 0.000 0.217 294 A C 1.958 179.387 177.584 -0.258 0.000 1.181 294 A CA 1.669 53.449 52.037 -0.428 0.000 0.623 294 A CB -0.934 17.418 19.000 -1.079 0.000 0.818 294 A HN 0.584 nan 8.150 nan 0.000 0.443 295 Y N -0.826 119.368 120.300 -0.177 0.000 2.114 295 Y HA -0.243 4.306 4.550 -0.000 0.000 0.284 295 Y C 2.132 178.047 175.900 0.024 0.000 1.143 295 Y CA 1.848 59.930 58.100 -0.029 0.000 1.135 295 Y CB -0.643 37.715 38.460 -0.170 0.000 0.980 295 Y HN 0.365 nan 8.280 nan 0.000 0.499 296 Y N -0.155 120.181 120.300 0.059 0.000 2.293 296 Y HA -0.173 4.377 4.550 -0.001 0.000 0.291 296 Y C 2.334 178.331 175.900 0.161 0.000 1.137 296 Y CA 1.351 59.532 58.100 0.135 0.000 1.202 296 Y CB -0.621 37.997 38.460 0.263 0.000 0.990 296 Y HN 0.160 nan 8.280 nan 0.000 0.537 297 L N -1.162 120.087 121.223 0.044 0.000 2.131 297 L HA -0.125 4.214 4.340 -0.001 0.000 0.206 297 L C 2.369 178.955 176.870 -0.474 0.000 1.087 297 L CA 1.626 56.270 54.840 -0.327 0.000 0.767 297 L CB -0.446 41.087 42.059 -0.876 0.000 0.917 297 L HN 0.230 nan 8.230 nan 0.000 0.441 298 S N -1.516 113.922 115.700 -0.437 0.000 2.514 298 S HA 0.169 4.639 4.470 -0.001 0.000 0.223 298 S C 1.614 176.054 174.600 -0.267 0.000 1.046 298 S CA 0.477 58.531 58.200 -0.242 0.000 0.914 298 S CB 0.772 63.992 63.200 0.034 0.000 0.807 298 S HN 0.437 nan 8.310 nan 0.000 0.497 299 G N 1.395 109.743 108.800 -0.752 0.000 2.168 299 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.263 299 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.263 299 G C -0.237 174.304 174.900 -0.598 0.000 0.977 299 G CA 0.308 44.396 45.100 -1.687 0.000 0.659 299 G HN 0.563 nan 8.290 nan 0.000 0.533 300 E N 0.644 120.790 120.200 -0.090 0.000 2.217 300 E HA 0.448 4.797 4.350 -0.001 0.000 0.279 300 E C 1.481 178.134 176.600 0.089 0.000 1.068 300 E CA 0.517 56.930 56.400 0.022 0.000 0.882 300 E CB 0.637 30.369 29.700 0.052 0.000 1.039 300 E HN 0.670 nan 8.360 nan 0.000 0.418 301 E N 3.564 123.773 120.200 0.014 0.000 2.209 301 E HA -0.200 4.149 4.350 -0.001 0.000 0.196 301 E C 1.617 178.135 176.600 -0.137 0.000 0.993 301 E CA 1.052 57.446 56.400 -0.012 0.000 0.819 301 E CB -0.450 29.225 29.700 -0.041 0.000 0.745 301 E HN 0.481 nan 8.360 nan 0.000 0.477 302 I N -0.114 120.314 120.570 -0.236 0.000 2.248 302 I HA -0.183 3.987 4.170 -0.001 0.000 0.248 302 I C 1.966 177.942 176.117 -0.234 0.000 1.107 302 I CA 1.169 62.293 61.300 -0.293 0.000 1.373 302 I CB -0.415 37.338 38.000 -0.412 0.000 1.055 302 I HN 0.311 nan 8.210 nan 0.000 0.418 303 F N 0.439 120.377 119.950 -0.020 0.000 2.146 303 F HA -0.075 4.451 4.527 -0.001 0.000 0.298 303 F C 2.691 178.406 175.800 -0.141 0.000 1.096 303 F CA 1.619 59.607 58.000 -0.020 0.000 1.275 303 F CB -1.104 37.932 39.000 0.061 0.000 1.008 303 F HN 0.040 nan 8.300 nan 0.000 0.480 304 R N 1.091 121.480 120.500 -0.185 0.000 2.066 304 R HA -0.188 4.152 4.340 -0.001 0.000 0.232 304 R C 2.341 178.473 176.300 -0.281 0.000 1.131 304 R CA 1.766 57.565 56.100 -0.503 0.000 0.955 304 R CB -0.301 29.348 30.300 -1.085 0.000 0.851 304 R HN 0.237 nan 8.270 nan 0.000 0.432 305 K N 0.454 120.733 120.400 -0.201 0.000 2.032 305 K HA -0.160 4.160 4.320 -0.001 0.000 0.209 305 K C 1.898 178.468 176.600 -0.051 0.000 1.048 305 K CA 1.579 57.791 56.287 -0.125 0.000 0.927 305 K CB 0.065 32.501 32.500 -0.108 0.000 0.712 305 K HN 0.018 nan 8.250 nan 0.000 0.441 306 K N 0.252 120.659 120.400 0.010 0.000 2.097 306 K HA -0.073 4.247 4.320 -0.001 0.000 0.205 306 K C 2.153 178.822 176.600 0.115 0.000 1.050 306 K CA 1.196 57.580 56.287 0.161 0.000 0.938 306 K CB -0.317 32.325 32.500 0.236 0.000 0.718 306 K HN 0.291 nan 8.250 nan 0.000 0.442 307 A N 1.093 123.910 122.820 -0.004 0.000 1.902 307 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 307 A C 2.472 179.914 177.584 -0.237 0.000 1.181 307 A CA 1.630 53.596 52.037 -0.117 0.000 0.623 307 A CB -0.592 18.319 19.000 -0.149 0.000 0.818 307 A HN 0.070 nan 8.150 nan 0.000 0.443 308 V N -0.252 119.527 119.914 -0.225 0.000 2.453 308 V HA -0.217 3.903 4.120 -0.001 0.000 0.247 308 V C 2.347 178.356 176.094 -0.142 0.000 1.048 308 V CA 2.025 64.169 62.300 -0.259 0.000 1.049 308 V CB -0.789 30.916 31.823 -0.196 0.000 0.672 308 V HN 0.618 nan 8.190 nan 0.000 0.457 309 E N -0.148 120.016 120.200 -0.060 0.000 2.070 309 E HA -0.281 4.068 4.350 -0.001 0.000 0.197 309 E C 2.121 178.674 176.600 -0.079 0.000 1.004 309 E CA 1.637 58.050 56.400 0.022 0.000 0.805 309 E CB -0.201 29.604 29.700 0.175 0.000 0.744 309 E HN 0.405 nan 8.360 nan 0.000 0.451 310 L N 0.334 121.348 121.223 -0.348 0.000 2.072 310 L HA 0.007 4.347 4.340 -0.001 0.000 0.205 310 L C 2.154 178.850 176.870 -0.290 0.000 1.079 310 L CA 2.132 56.577 54.840 -0.658 0.000 0.752 310 L CB -0.960 40.398 42.059 -1.168 0.000 0.906 310 L HN 0.096 nan 8.230 nan 0.000 0.436 311 G N -0.740 107.892 108.800 -0.279 0.000 2.476 311 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.218 311 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.218 311 G C 1.569 176.565 174.900 0.160 0.000 1.164 311 G CA 1.260 46.217 45.100 -0.239 0.000 0.768 311 G HN 0.337 nan 8.290 nan 0.000 0.560 312 V N 0.859 120.875 119.914 0.170 0.000 2.332 312 V HA -0.147 3.973 4.120 -0.001 0.000 0.248 312 V C 2.839 179.015 176.094 0.136 0.000 1.055 312 V CA 1.968 64.389 62.300 0.201 0.000 1.038 312 V CB -0.290 31.616 31.823 0.138 0.000 0.651 312 V HN 0.227 nan 8.190 nan 0.000 0.450 313 K N -0.079 120.369 120.400 0.081 0.000 2.209 313 K HA -0.011 4.308 4.320 -0.001 0.000 0.204 313 K C 1.861 178.530 176.600 0.115 0.000 1.048 313 K CA 1.109 57.444 56.287 0.080 0.000 0.940 313 K CB -0.391 32.135 32.500 0.042 0.000 0.729 313 K HN 0.429 nan 8.250 nan 0.000 0.451 314 L N 0.375 121.697 121.223 0.165 0.000 2.509 314 L HA 0.030 4.370 4.340 -0.001 0.000 0.222 314 L C 2.078 179.162 176.870 0.358 0.000 1.123 314 L CA 0.046 55.039 54.840 0.254 0.000 0.856 314 L CB -0.321 41.963 42.059 0.375 0.000 0.985 314 L HN 0.033 nan 8.230 nan 0.000 0.456 315 L N 0.471 121.897 121.223 0.339 0.000 2.079 315 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 315 L C -0.254 176.695 176.870 0.131 0.000 1.081 315 L CA 1.469 56.504 54.840 0.325 0.000 0.752 315 L CB -1.613 40.516 42.059 0.116 0.000 0.896 315 L HN 0.244 nan 8.230 nan 0.000 0.433 316 P HA -0.147 nan 4.420 nan 0.000 0.223 316 P C 1.324 178.655 177.300 0.050 0.000 1.144 316 P CA 1.314 64.400 63.100 -0.023 0.000 0.783 316 P CB -0.027 31.828 31.700 0.259 0.000 0.771 317 A N -1.195 121.649 122.820 0.040 0.000 2.076 317 A HA -0.153 4.167 4.320 -0.001 0.000 0.220 317 A C 1.427 178.859 177.584 -0.253 0.000 1.160 317 A CA 1.265 53.268 52.037 -0.057 0.000 0.653 317 A CB -1.630 17.203 19.000 -0.278 0.000 0.801 317 A HN 0.180 nan 8.150 nan 0.000 0.455 318 F N -0.939 118.945 119.950 -0.110 0.000 2.732 318 F HA 0.131 4.657 4.527 -0.001 0.000 0.303 318 F C 0.800 176.504 175.800 -0.160 0.000 1.110 318 F CA 0.017 57.916 58.000 -0.168 0.000 1.355 318 F CB -0.394 38.523 39.000 -0.138 0.000 1.081 318 F HN 0.284 nan 8.300 nan 0.000 0.565 319 H N 0.619 119.763 119.070 0.123 0.000 2.970 319 H HA 0.208 4.764 4.556 -0.000 0.000 0.226 319 H C 0.504 175.843 175.328 0.020 0.000 1.909 319 H CA -0.274 55.834 56.048 0.099 0.000 1.388 319 H CB -0.257 29.601 29.762 0.159 0.000 1.773 319 H HN 0.093 nan 8.280 nan 0.000 0.559 320 T N -2.403 112.134 114.554 -0.028 0.000 2.916 320 T HA 0.216 4.565 4.350 -0.001 0.000 0.292 320 T C -1.810 172.828 174.700 -0.104 0.000 1.064 320 T CA -2.342 59.647 62.100 -0.185 0.000 1.011 320 T CB 1.923 70.463 68.868 -0.548 0.000 1.152 320 T HN -0.073 nan 8.240 nan 0.000 0.510 321 P HA -0.099 nan 4.420 nan 0.000 0.216 321 P C 1.686 178.930 177.300 -0.094 0.000 1.150 321 P CA 1.402 64.457 63.100 -0.074 0.000 0.837 321 P CB 0.033 31.691 31.700 -0.070 0.000 0.786 322 S N -2.746 112.865 115.700 -0.148 0.000 2.458 322 S HA 0.253 4.722 4.470 -0.001 0.000 0.223 322 S C 1.823 176.343 174.600 -0.134 0.000 1.019 322 S CA 0.749 58.857 58.200 -0.153 0.000 0.937 322 S CB -0.713 62.362 63.200 -0.209 0.000 0.788 322 S HN 0.280 nan 8.310 nan 0.000 0.511 323 G N 1.094 109.816 108.800 -0.131 0.000 2.213 323 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.236 323 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.236 323 G C 0.029 174.880 174.900 -0.082 0.000 0.991 323 G CA -0.006 45.057 45.100 -0.062 0.000 0.629 323 G HN 0.471 nan 8.290 nan 0.000 0.517 324 I N 3.701 124.119 120.570 -0.254 0.000 2.587 324 I HA 0.213 4.383 4.170 -0.001 0.000 0.284 324 I C -1.345 174.524 176.117 -0.413 0.000 1.134 324 I CA -2.220 58.838 61.300 -0.404 0.000 1.410 324 I CB 0.110 37.737 38.000 -0.621 0.000 1.392 324 I HN 0.054 nan 8.210 nan 0.000 0.545 325 P HA 0.020 nan 4.420 nan 0.000 0.274 325 P C -0.628 176.463 177.300 -0.347 0.000 1.237 325 P CA -0.419 62.392 63.100 -0.482 0.000 0.793 325 P CB 0.477 31.728 31.700 -0.748 0.000 0.977 326 W N 0.426 121.606 121.300 -0.200 0.000 2.170 326 W HA 0.229 4.889 4.660 -0.001 0.000 0.342 326 W C 1.741 178.163 176.519 -0.162 0.000 1.294 326 W CA -0.497 56.753 57.345 -0.159 0.000 1.246 326 W CB -0.133 29.237 29.460 -0.149 0.000 1.156 326 W HN 0.433 nan 8.180 nan 0.000 0.572 327 A N 2.604 125.489 122.820 0.108 0.000 1.897 327 A HA 0.044 4.364 4.320 -0.001 0.000 0.215 327 A C 0.529 178.017 177.584 -0.160 0.000 1.181 327 A CA 0.914 52.908 52.037 -0.072 0.000 0.620 327 A CB -0.350 18.441 19.000 -0.348 0.000 0.821 327 A HN 0.535 nan 8.150 nan 0.000 0.443 328 L N -0.396 120.700 121.223 -0.213 0.000 2.385 328 L HA 0.636 4.975 4.340 -0.001 0.000 0.273 328 L C -1.181 175.595 176.870 -0.157 0.000 0.990 328 L CA -0.654 54.032 54.840 -0.258 0.000 0.821 328 L CB 2.110 43.907 42.059 -0.437 0.000 1.279 328 L HN 0.258 nan 8.230 nan 0.000 0.412 329 L N 3.699 124.867 121.223 -0.092 0.000 2.436 329 L HA 0.483 4.823 4.340 -0.001 0.000 0.268 329 L C -0.562 176.283 176.870 -0.041 0.000 0.974 329 L CA -0.208 54.599 54.840 -0.055 0.000 0.826 329 L CB 1.918 43.984 42.059 0.013 0.000 1.291 329 L HN 0.501 nan 8.230 nan 0.000 0.406 330 N N 5.259 123.928 118.700 -0.051 0.000 2.430 330 N HA 0.095 4.835 4.740 -0.001 0.000 0.265 330 N C 0.751 176.267 175.510 0.010 0.000 1.100 330 N CA -0.265 52.770 53.050 -0.025 0.000 0.961 330 N CB 0.984 39.447 38.487 -0.041 0.000 1.075 330 N HN 0.686 nan 8.380 nan 0.000 0.478 331 M N 3.127 122.743 119.600 0.027 0.000 2.229 331 M HA -0.122 4.358 4.480 -0.001 0.000 0.264 331 M C 1.778 178.108 176.300 0.050 0.000 1.063 331 M CA 1.215 56.544 55.300 0.049 0.000 1.114 331 M CB -0.562 32.076 32.600 0.064 0.000 1.387 331 M HN 0.609 nan 8.290 nan 0.000 0.420 332 K N 0.373 120.794 120.400 0.035 0.000 2.044 332 K HA -0.078 4.242 4.320 -0.001 0.000 0.204 332 K C 2.064 178.680 176.600 0.027 0.000 1.049 332 K CA 1.683 57.989 56.287 0.030 0.000 0.945 332 K CB 0.137 32.649 32.500 0.019 0.000 0.724 332 K HN 0.313 nan 8.250 nan 0.000 0.440 333 S N -1.174 114.536 115.700 0.017 0.000 2.478 333 S HA 0.133 4.603 4.470 -0.001 0.000 0.222 333 S C 1.399 176.016 174.600 0.028 0.000 1.008 333 S CA 0.545 58.752 58.200 0.012 0.000 0.928 333 S CB 0.315 63.510 63.200 -0.009 0.000 0.781 333 S HN 0.557 nan 8.310 nan 0.000 0.518 334 G N 1.230 110.055 108.800 0.042 0.000 2.168 334 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.263 334 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.263 334 G C 0.003 174.940 174.900 0.061 0.000 0.977 334 G CA 0.395 45.544 45.100 0.081 0.000 0.659 334 G HN 0.614 nan 8.290 nan 0.000 0.533 335 I N 1.444 122.005 120.570 -0.015 0.000 2.371 335 I HA 0.538 4.708 4.170 -0.001 0.000 0.290 335 I C 1.120 177.108 176.117 -0.214 0.000 1.028 335 I CA 0.254 61.495 61.300 -0.099 0.000 1.345 335 I CB 1.273 39.204 38.000 -0.116 0.000 1.407 335 I HN 0.159 nan 8.210 nan 0.000 0.501 336 G N 5.696 114.232 108.800 -0.441 0.000 2.537 336 G HA2 0.870 4.830 3.960 -0.001 0.000 0.308 336 G HA3 0.870 4.830 3.960 -0.001 0.000 0.308 336 G C -1.082 172.964 174.900 -1.424 0.000 1.237 336 G CA -0.695 43.951 45.100 -0.756 0.000 0.968 336 G HN 0.747 nan 8.290 nan 0.000 0.481 337 R N -0.637 119.264 120.500 -0.998 0.000 2.747 337 R HA 0.462 4.801 4.340 -0.001 0.000 0.272 337 R C -1.568 174.594 176.300 -0.229 0.000 1.032 337 R CA -1.011 54.573 56.100 -0.860 0.000 0.896 337 R CB 0.767 30.735 30.300 -0.554 0.000 1.253 337 R HN 0.411 nan 8.270 nan 0.000 0.461 338 N N -0.299 118.370 118.700 -0.051 0.000 2.485 338 N HA 0.331 5.071 4.740 -0.001 0.000 0.280 338 N C -1.007 174.374 175.510 -0.216 0.000 1.205 338 N CA -0.572 52.458 53.050 -0.034 0.000 0.959 338 N CB 0.420 39.004 38.487 0.161 0.000 1.206 338 N HN 0.411 nan 8.380 nan 0.000 0.545 339 W N 1.606 122.750 121.300 -0.260 0.000 2.257 339 W HA 0.095 4.755 4.660 -0.001 0.000 0.337 339 W C -0.827 175.380 176.519 -0.521 0.000 1.321 339 W CA -0.993 56.032 57.345 -0.533 0.000 1.267 339 W CB 0.110 28.896 29.460 -1.123 0.000 1.187 339 W HN 0.499 nan 8.180 nan 0.000 0.565 340 P HA -0.199 nan 4.420 nan 0.000 0.220 340 P C 1.129 178.452 177.300 0.039 0.000 1.148 340 P CA 1.887 64.978 63.100 -0.015 0.000 0.803 340 P CB -0.118 31.639 31.700 0.095 0.000 0.782 341 W N -0.326 121.078 121.300 0.174 0.000 3.139 341 W HA 0.524 5.183 4.660 -0.001 0.000 0.260 341 W C 0.132 176.699 176.519 0.081 0.000 1.312 341 W CA -0.404 57.004 57.345 0.105 0.000 1.606 341 W CB -0.977 28.535 29.460 0.087 0.000 1.118 341 W HN -0.152 nan 8.180 nan 0.000 0.675 342 A N 2.168 124.912 122.820 -0.127 0.000 2.488 342 A HA 0.205 4.525 4.320 -0.001 0.000 0.249 342 A C 0.693 178.230 177.584 -0.079 0.000 1.083 342 A CA 0.059 52.064 52.037 -0.055 0.000 0.768 342 A CB 0.197 19.140 19.000 -0.095 0.000 1.017 342 A HN 0.167 nan 8.150 nan 0.000 0.496 343 S N 2.256 117.755 115.700 -0.335 0.000 2.885 343 S HA 0.268 4.738 4.470 -0.001 0.000 0.334 343 S C 1.536 176.067 174.600 -0.114 0.000 1.224 343 S CA 1.138 59.150 58.200 -0.313 0.000 1.080 343 S CB -0.797 62.037 63.200 -0.610 0.000 0.801 343 S HN 2.453 nan 8.310 nan 0.000 0.510 344 G N 3.738 112.507 108.800 -0.051 0.000 2.296 344 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.282 344 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.282 344 G C 1.125 176.040 174.900 0.025 0.000 1.014 344 G CA 0.654 45.752 45.100 -0.004 0.000 0.812 344 G HN 2.271 nan 8.290 nan 0.000 0.508 345 G N -1.995 106.821 108.800 0.027 0.000 2.176 345 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.252 345 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.252 345 G C 0.474 175.433 174.900 0.099 0.000 1.024 345 G CA 0.843 45.981 45.100 0.064 0.000 0.755 345 G HN 1.620 nan 8.290 nan 0.000 0.507 346 S N -0.218 115.545 115.700 0.104 0.000 2.617 346 S HA 0.643 5.112 4.470 -0.001 0.000 0.269 346 S C 0.890 175.620 174.600 0.218 0.000 1.292 346 S CA -0.008 58.292 58.200 0.167 0.000 1.010 346 S CB 1.298 64.657 63.200 0.265 0.000 0.944 346 S HN 0.536 nan 8.310 nan 0.000 0.536 347 S N 1.720 117.541 115.700 0.202 0.000 2.601 347 S HA 0.385 4.855 4.470 -0.001 0.000 0.271 347 S C -0.080 174.762 174.600 0.403 0.000 1.305 347 S CA -0.645 57.715 58.200 0.267 0.000 1.022 347 S CB 0.250 63.548 63.200 0.163 0.000 0.940 347 S HN 0.414 nan 8.310 nan 0.000 0.525 348 I N 3.180 123.925 120.570 0.291 0.000 2.331 348 I HA 0.153 4.323 4.170 -0.001 0.000 0.292 348 I C 1.196 177.059 176.117 -0.423 0.000 0.998 348 I CA -0.452 60.849 61.300 0.002 0.000 1.267 348 I CB 0.856 38.847 38.000 -0.014 0.000 1.386 348 I HN 0.598 nan 8.210 nan 0.000 0.476 349 L N 7.438 128.293 121.223 -0.615 0.000 1.997 349 L HA -0.239 4.101 4.340 -0.001 0.000 0.216 349 L C 2.349 178.559 176.870 -1.100 0.000 1.074 349 L CA 2.587 56.724 54.840 -1.172 0.000 0.763 349 L CB -0.474 41.166 42.059 -0.699 0.000 0.890 349 L HN 0.753 nan 8.230 nan 0.000 0.434 350 A N -1.291 121.124 122.820 -0.676 0.000 1.972 350 A HA -0.200 4.120 4.320 -0.001 0.000 0.219 350 A C 2.106 179.272 177.584 -0.696 0.000 1.169 350 A CA 1.733 53.424 52.037 -0.577 0.000 0.635 350 A CB -0.570 18.131 19.000 -0.498 0.000 0.810 350 A HN 0.671 nan 8.150 nan 0.000 0.446 351 E N -0.567 119.211 120.200 -0.704 0.000 2.015 351 E HA -0.153 4.196 4.350 -0.001 0.000 0.191 351 E C 1.796 178.321 176.600 -0.126 0.000 0.991 351 E CA 1.588 57.687 56.400 -0.502 0.000 0.802 351 E CB -0.427 29.153 29.700 -0.200 0.000 0.759 351 E HN 0.891 nan 8.360 nan 0.000 0.447 352 F N -0.233 119.676 119.950 -0.070 0.000 2.407 352 F HA 0.192 4.719 4.527 -0.000 0.000 0.299 352 F C 1.905 177.736 175.800 0.052 0.000 1.097 352 F CA 0.667 58.658 58.000 -0.015 0.000 1.422 352 F CB -0.494 38.478 39.000 -0.046 0.000 1.067 352 F HN -0.111 nan 8.300 nan 0.000 0.539 353 G N -0.269 108.388 108.800 -0.238 0.000 2.920 353 G HA2 0.053 4.013 3.960 -0.001 0.000 0.208 353 G HA3 0.053 4.013 3.960 -0.001 0.000 0.208 353 G C 0.553 175.544 174.900 0.151 0.000 1.159 353 G CA 0.600 45.760 45.100 0.101 0.000 0.784 353 G HN 0.353 nan 8.290 nan 0.000 0.535 354 T N 1.035 115.621 114.554 0.053 0.000 3.374 354 T HA 0.342 4.692 4.350 -0.001 0.000 0.267 354 T C 1.234 176.098 174.700 0.273 0.000 0.996 354 T CA -0.287 61.759 62.100 -0.089 0.000 0.977 354 T CB 0.169 68.919 68.868 -0.196 0.000 1.149 354 T HN 0.122 nan 8.240 nan 0.000 0.517 355 L N -1.069 120.382 121.223 0.380 0.000 2.701 355 L HA 0.327 4.667 4.340 -0.001 0.000 0.238 355 L C 2.158 179.280 176.870 0.420 0.000 1.106 355 L CA 0.090 55.127 54.840 0.328 0.000 0.898 355 L CB -0.199 41.851 42.059 -0.015 0.000 1.188 355 L HN 0.311 nan 8.230 nan 0.000 0.508 356 H N 1.216 120.553 119.070 0.445 0.000 2.293 356 H HA -0.125 4.431 4.556 -0.001 0.000 0.300 356 H C 2.203 177.712 175.328 0.303 0.000 1.082 356 H CA 2.059 58.307 56.048 0.332 0.000 1.308 356 H CB 0.159 30.095 29.762 0.290 0.000 1.375 356 H HN 0.114 nan 8.280 nan 0.000 0.495 357 L N -0.103 121.348 121.223 0.381 0.000 2.046 357 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 357 L C 2.323 179.414 176.870 0.367 0.000 1.077 357 L CA 1.601 56.623 54.840 0.303 0.000 0.747 357 L CB -0.411 41.748 42.059 0.166 0.000 0.896 357 L HN 0.351 nan 8.230 nan 0.000 0.432 358 E N -0.189 120.286 120.200 0.457 0.000 2.072 358 E HA -0.146 4.203 4.350 -0.001 0.000 0.190 358 E C 1.976 178.711 176.600 0.224 0.000 0.982 358 E CA 1.130 57.713 56.400 0.305 0.000 0.803 358 E CB -0.235 29.737 29.700 0.454 0.000 0.755 358 E HN 0.246 nan 8.360 nan 0.000 0.453 359 F N 0.069 120.063 119.950 0.073 0.000 2.234 359 F HA -0.093 4.434 4.527 -0.001 0.000 0.299 359 F C 2.002 177.788 175.800 -0.022 0.000 1.087 359 F CA 0.825 58.839 58.000 0.023 0.000 1.340 359 F CB -0.225 38.823 39.000 0.081 0.000 1.031 359 F HN 0.042 nan 8.300 nan 0.000 0.500 360 M N -0.844 118.805 119.600 0.081 0.000 2.117 360 M HA -0.207 4.272 4.480 -0.001 0.000 0.262 360 M C 2.261 178.507 176.300 -0.090 0.000 1.065 360 M CA 1.666 56.942 55.300 -0.039 0.000 1.114 360 M CB -1.530 31.015 32.600 -0.092 0.000 1.361 360 M HN 0.199 nan 8.290 nan 0.000 0.408 361 H N -0.171 118.887 119.070 -0.020 0.000 2.423 361 H HA 0.051 4.606 4.556 -0.001 0.000 0.297 361 H C 2.279 177.560 175.328 -0.077 0.000 1.075 361 H CA 1.092 57.137 56.048 -0.005 0.000 1.342 361 H CB -0.085 29.618 29.762 -0.099 0.000 1.395 361 H HN 0.336 nan 8.280 nan 0.000 0.530 362 L N -0.185 120.945 121.223 -0.156 0.000 2.046 362 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 362 L C 2.627 179.348 176.870 -0.248 0.000 1.077 362 L CA 0.857 55.411 54.840 -0.476 0.000 0.747 362 L CB -0.271 41.078 42.059 -1.185 0.000 0.896 362 L HN 0.101 nan 8.230 nan 0.000 0.432 363 S N -1.751 113.954 115.700 0.009 0.000 2.383 363 S HA -0.219 4.251 4.470 -0.001 0.000 0.227 363 S C 1.919 176.591 174.600 0.120 0.000 1.026 363 S CA 0.874 59.180 58.200 0.176 0.000 0.981 363 S CB -0.382 62.922 63.200 0.172 0.000 0.818 363 S HN 0.513 nan 8.310 nan 0.000 0.472 364 H N 0.759 119.832 119.070 0.004 0.000 2.321 364 H HA 0.017 4.573 4.556 -0.001 0.000 0.300 364 H C 1.886 177.240 175.328 0.042 0.000 1.087 364 H CA 1.360 57.423 56.048 0.025 0.000 1.319 364 H CB -0.106 29.676 29.762 0.034 0.000 1.379 364 H HN 0.305 nan 8.280 nan 0.000 0.501 365 L N 0.428 121.569 121.223 -0.138 0.000 2.209 365 L HA -0.078 4.262 4.340 -0.001 0.000 0.207 365 L C 2.809 179.570 176.870 -0.182 0.000 1.094 365 L CA 1.030 55.722 54.840 -0.246 0.000 0.790 365 L CB -0.173 41.747 42.059 -0.231 0.000 0.932 365 L HN 0.322 nan 8.230 nan 0.000 0.447 366 S N -0.878 114.758 115.700 -0.107 0.000 2.478 366 S HA 0.080 4.550 4.470 -0.001 0.000 0.222 366 S C 1.713 176.314 174.600 0.001 0.000 1.008 366 S CA 0.509 58.687 58.200 -0.037 0.000 0.928 366 S CB 0.324 63.562 63.200 0.064 0.000 0.781 366 S HN 0.486 nan 8.310 nan 0.000 0.518 367 G N 1.241 110.044 108.800 0.006 0.000 2.189 367 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.267 367 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.267 367 G C -0.212 174.715 174.900 0.044 0.000 0.975 367 G CA 0.392 45.506 45.100 0.023 0.000 0.644 367 G HN 0.657 nan 8.290 nan 0.000 0.537 368 D N 0.492 120.941 120.400 0.083 0.000 2.313 368 D HA 0.474 5.113 4.640 -0.001 0.000 0.239 368 D C -0.842 175.479 176.300 0.035 0.000 1.142 368 D CA -2.205 51.819 54.000 0.040 0.000 0.847 368 D CB 1.409 42.222 40.800 0.021 0.000 1.082 368 D HN 0.074 nan 8.370 nan 0.000 0.480 369 P HA -0.121 nan 4.420 nan 0.000 0.228 369 P C 1.527 178.780 177.300 -0.078 0.000 1.151 369 P CA 0.196 63.288 63.100 -0.014 0.000 0.770 369 P CB 0.397 32.084 31.700 -0.022 0.000 0.786 370 V N -1.291 118.492 119.914 -0.219 0.000 2.392 370 V HA -0.265 3.854 4.120 -0.001 0.000 0.249 370 V C 1.842 177.733 176.094 -0.338 0.000 1.059 370 V CA 1.873 63.967 62.300 -0.343 0.000 1.051 370 V CB -1.025 30.496 31.823 -0.503 0.000 0.658 370 V HN -0.055 nan 8.190 nan 0.000 0.455 371 F N 0.958 120.868 119.950 -0.067 0.000 2.113 371 F HA -0.013 4.514 4.527 -0.000 0.000 0.297 371 F C 2.527 178.373 175.800 0.075 0.000 1.103 371 F CA 1.549 59.541 58.000 -0.013 0.000 1.248 371 F CB -1.414 37.465 39.000 -0.201 0.000 0.999 371 F HN 0.205 nan 8.300 nan 0.000 0.475 372 A N 0.102 123.025 122.820 0.171 0.000 1.933 372 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 372 A C 2.122 179.708 177.584 0.004 0.000 1.175 372 A CA 1.878 53.953 52.037 0.062 0.000 0.628 372 A CB -0.994 18.030 19.000 0.040 0.000 0.814 372 A HN 0.289 nan 8.150 nan 0.000 0.444 373 E N 0.001 120.183 120.200 -0.030 0.000 2.085 373 E HA -0.176 4.174 4.350 -0.001 0.000 0.194 373 E C 2.179 178.714 176.600 -0.109 0.000 0.994 373 E CA 1.477 57.839 56.400 -0.063 0.000 0.801 373 E CB -0.312 29.335 29.700 -0.088 0.000 0.743 373 E HN 0.608 nan 8.360 nan 0.000 0.453 374 K N 0.294 120.570 120.400 -0.207 0.000 2.057 374 K HA -0.080 4.240 4.320 -0.001 0.000 0.207 374 K C 2.475 178.929 176.600 -0.243 0.000 1.049 374 K CA 1.601 57.633 56.287 -0.425 0.000 0.931 374 K CB -1.026 30.800 32.500 -1.123 0.000 0.714 374 K HN 0.497 nan 8.250 nan 0.000 0.440 375 V N -1.827 118.008 119.914 -0.132 0.000 2.719 375 V HA -0.045 4.075 4.120 -0.001 0.000 0.252 375 V C 2.140 178.310 176.094 0.126 0.000 1.065 375 V CA 0.799 63.102 62.300 0.004 0.000 1.086 375 V CB -0.471 31.308 31.823 -0.072 0.000 0.700 375 V HN 0.013 nan 8.190 nan 0.000 0.467 376 M N 0.805 120.452 119.600 0.079 0.000 2.319 376 M HA 0.014 4.494 4.480 -0.001 0.000 0.265 376 M C 2.120 178.469 176.300 0.081 0.000 1.068 376 M CA 1.753 57.127 55.300 0.123 0.000 1.118 376 M CB -1.021 31.632 32.600 0.089 0.000 1.395 376 M HN 0.484 nan 8.290 nan 0.000 0.435 377 K N 1.189 121.607 120.400 0.031 0.000 2.097 377 K HA 0.008 4.328 4.320 -0.001 0.000 0.205 377 K C 1.665 178.279 176.600 0.025 0.000 1.050 377 K CA 1.089 57.382 56.287 0.011 0.000 0.938 377 K CB -0.437 32.048 32.500 -0.024 0.000 0.718 377 K HN 0.279 nan 8.250 nan 0.000 0.442 378 I N 0.610 121.218 120.570 0.063 0.000 2.163 378 I HA -0.322 3.848 4.170 -0.001 0.000 0.243 378 I C 2.321 178.513 176.117 0.126 0.000 1.085 378 I CA 1.124 62.474 61.300 0.083 0.000 1.347 378 I CB -0.232 37.887 38.000 0.198 0.000 1.044 378 I HN 0.151 nan 8.210 nan 0.000 0.408 379 R N 0.276 120.880 120.500 0.174 0.000 2.083 379 R HA -0.143 4.196 4.340 -0.001 0.000 0.237 379 R C 2.291 178.663 176.300 0.119 0.000 1.137 379 R CA 1.949 58.157 56.100 0.181 0.000 0.951 379 R CB -1.275 29.133 30.300 0.180 0.000 0.851 379 R HN 0.369 nan 8.270 nan 0.000 0.434 380 T N 1.222 115.820 114.554 0.074 0.000 2.746 380 T HA -0.089 4.261 4.350 -0.001 0.000 0.267 380 T C 2.083 176.786 174.700 0.005 0.000 1.039 380 T CA 1.431 63.554 62.100 0.037 0.000 1.142 380 T CB -0.216 68.663 68.868 0.018 0.000 0.866 380 T HN -0.009 nan 8.240 nan 0.000 0.444 381 V N 1.389 121.288 119.914 -0.025 0.000 2.295 381 V HA -0.119 4.000 4.120 -0.001 0.000 0.246 381 V C 2.491 178.527 176.094 -0.096 0.000 1.049 381 V CA 1.486 63.730 62.300 -0.093 0.000 1.024 381 V CB -0.660 31.066 31.823 -0.162 0.000 0.648 381 V HN 0.424 nan 8.190 nan 0.000 0.447 382 L N 0.130 121.350 121.223 -0.005 0.000 2.046 382 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 382 L C 2.357 179.287 176.870 0.100 0.000 1.077 382 L CA 1.464 56.352 54.840 0.080 0.000 0.747 382 L CB -0.620 41.617 42.059 0.297 0.000 0.896 382 L HN 0.380 nan 8.230 nan 0.000 0.432 383 N N -0.006 118.757 118.700 0.105 0.000 2.459 383 N HA -0.114 4.625 4.740 -0.001 0.000 0.181 383 N C 1.583 177.118 175.510 0.042 0.000 1.046 383 N CA 0.838 53.949 53.050 0.101 0.000 0.904 383 N CB 0.056 38.606 38.487 0.104 0.000 0.964 383 N HN 0.363 nan 8.380 nan 0.000 0.444 384 K N 0.130 120.527 120.400 -0.004 0.000 2.296 384 K HA 0.090 4.410 4.320 -0.001 0.000 0.200 384 K C 0.413 176.980 176.600 -0.056 0.000 1.048 384 K CA 0.267 56.534 56.287 -0.033 0.000 0.966 384 K CB 0.257 32.721 32.500 -0.061 0.000 0.754 384 K HN 0.093 nan 8.250 nan 0.000 0.466 385 L N 1.924 123.095 121.223 -0.086 0.000 2.350 385 L HA 0.091 4.431 4.340 -0.001 0.000 0.275 385 L C -0.101 176.800 176.870 0.051 0.000 1.099 385 L CA -0.647 54.128 54.840 -0.108 0.000 0.808 385 L CB 0.733 42.558 42.059 -0.390 0.000 1.149 385 L HN 0.019 nan 8.230 nan 0.000 0.442 386 D N 2.598 123.057 120.400 0.099 0.000 2.390 386 D HA 0.098 4.737 4.640 -0.001 0.000 0.249 386 D C -0.188 176.248 176.300 0.227 0.000 1.144 386 D CA 0.053 54.128 54.000 0.126 0.000 0.880 386 D CB 1.006 41.872 40.800 0.109 0.000 1.182 386 D HN 0.151 nan 8.370 nan 0.000 0.451 387 K N 3.485 123.909 120.400 0.040 0.000 2.264 387 K HA 0.268 4.588 4.320 -0.001 0.000 0.277 387 K C -2.296 174.178 176.600 -0.211 0.000 1.067 387 K CA -1.793 54.396 56.287 -0.164 0.000 0.900 387 K CB 0.957 33.224 32.500 -0.388 0.000 1.124 387 K HN 0.166 nan 8.250 nan 0.000 0.469 388 P HA -0.012 nan 4.420 nan 0.000 0.265 388 P C -0.706 176.413 177.300 -0.301 0.000 1.222 388 P CA 0.300 63.261 63.100 -0.231 0.000 0.767 388 P CB 0.741 32.271 31.700 -0.282 0.000 0.801 389 E N 2.949 123.030 120.200 -0.199 0.000 2.971 389 E HA -0.249 4.100 4.350 -0.001 0.000 0.278 389 E C 1.075 177.555 176.600 -0.199 0.000 1.009 389 E CA 1.438 57.689 56.400 -0.247 0.000 0.862 389 E CB -2.241 27.118 29.700 -0.568 0.000 1.436 389 E HN 0.934 nan 8.360 nan 0.000 0.434 390 G N -0.573 108.126 108.800 -0.168 0.000 2.162 390 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.260 390 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.260 390 G C 0.299 175.098 174.900 -0.168 0.000 0.976 390 G CA 0.656 45.684 45.100 -0.120 0.000 0.655 390 G HN 0.274 nan 8.290 nan 0.000 0.533 391 L N -0.670 120.357 121.223 -0.326 0.000 2.344 391 L HA 0.671 5.010 4.340 -0.001 0.000 0.272 391 L C -0.025 176.601 176.870 -0.406 0.000 1.035 391 L CA -1.450 53.202 54.840 -0.314 0.000 0.807 391 L CB 1.093 42.779 42.059 -0.623 0.000 1.237 391 L HN 0.028 nan 8.230 nan 0.000 0.442 392 Y N 1.521 121.684 120.300 -0.229 0.000 2.369 392 Y HA 0.333 4.883 4.550 -0.000 0.000 0.337 392 Y C -2.060 173.553 175.900 -0.478 0.000 0.961 392 Y CA -2.450 55.424 58.100 -0.377 0.000 1.186 392 Y CB 0.732 39.137 38.460 -0.092 0.000 1.139 392 Y HN 0.324 nan 8.280 nan 0.000 0.494 393 P HA -0.021 nan 4.420 nan 0.000 0.267 393 P C 0.285 177.485 177.300 -0.166 0.000 1.200 393 P CA 0.178 63.046 63.100 -0.386 0.000 0.772 393 P CB 0.823 32.189 31.700 -0.556 0.000 0.855 394 N N 0.342 118.980 118.700 -0.103 0.000 2.461 394 N HA -0.011 4.729 4.740 -0.001 0.000 0.188 394 N C -0.503 174.752 175.510 -0.424 0.000 1.134 394 N CA 0.722 53.583 53.050 -0.316 0.000 0.878 394 N CB -0.157 38.065 38.487 -0.442 0.000 0.972 394 N HN 0.462 nan 8.380 nan 0.000 0.456 395 Y N 0.071 120.507 120.300 0.227 0.000 2.361 395 Y HA 0.510 5.060 4.550 -0.000 0.000 0.337 395 Y C -0.241 175.911 175.900 0.419 0.000 0.965 395 Y CA -0.700 57.568 58.100 0.279 0.000 1.091 395 Y CB 1.971 40.553 38.460 0.203 0.000 1.182 395 Y HN -0.223 nan 8.280 nan 0.000 0.450 396 L N 4.250 125.768 121.223 0.491 0.000 2.439 396 L HA 0.477 4.817 4.340 -0.001 0.000 0.270 396 L C -1.000 175.918 176.870 0.081 0.000 0.972 396 L CA -0.620 54.386 54.840 0.277 0.000 0.836 396 L CB 1.329 43.492 42.059 0.173 0.000 1.255 396 L HN 0.674 nan 8.230 nan 0.000 0.404 397 N N 6.462 125.175 118.700 0.021 0.000 2.442 397 N HA 0.189 4.928 4.740 -0.001 0.000 0.265 397 N C -1.955 173.466 175.510 -0.149 0.000 1.138 397 N CA -1.212 51.819 53.050 -0.030 0.000 0.956 397 N CB 1.752 40.235 38.487 -0.007 0.000 1.067 397 N HN 0.443 nan 8.380 nan 0.000 0.474 398 P HA 0.038 nan 4.420 nan 0.000 0.236 398 P C 0.664 177.789 177.300 -0.292 0.000 1.177 398 P CA 0.569 63.458 63.100 -0.352 0.000 0.773 398 P CB 0.562 31.913 31.700 -0.583 0.000 0.878 399 S N 0.248 115.835 115.700 -0.189 0.000 2.387 399 S HA -0.042 4.428 4.470 -0.001 0.000 0.221 399 S C 2.057 176.598 174.600 -0.099 0.000 1.041 399 S CA 1.334 59.463 58.200 -0.119 0.000 0.959 399 S CB -0.536 62.635 63.200 -0.048 0.000 0.843 399 S HN 0.341 nan 8.310 nan 0.000 0.488 400 S N 0.553 116.199 115.700 -0.090 0.000 2.478 400 S HA 0.306 4.776 4.470 -0.001 0.000 0.222 400 S C 1.642 176.169 174.600 -0.121 0.000 1.008 400 S CA 0.796 58.946 58.200 -0.083 0.000 0.928 400 S CB -0.255 62.913 63.200 -0.055 0.000 0.781 400 S HN 0.784 nan 8.310 nan 0.000 0.518 401 G N 0.894 109.595 108.800 -0.164 0.000 2.153 401 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.252 401 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.252 401 G C -0.151 174.579 174.900 -0.283 0.000 0.994 401 G CA 0.405 45.370 45.100 -0.225 0.000 0.698 401 G HN 0.568 nan 8.290 nan 0.000 0.521 402 Q N -1.193 118.478 119.800 -0.215 0.000 2.297 402 Q HA 0.549 4.889 4.340 -0.001 0.000 0.268 402 Q C 0.286 176.225 176.000 -0.103 0.000 1.045 402 Q CA -0.966 54.701 55.803 -0.227 0.000 0.861 402 Q CB 0.830 29.518 28.738 -0.083 0.000 1.344 402 Q HN 0.435 nan 8.270 nan 0.000 0.452 403 W N 0.242 121.593 121.300 0.085 0.000 2.158 403 W HA 0.373 5.033 4.660 -0.001 0.000 0.339 403 W C 1.227 177.843 176.519 0.162 0.000 1.294 403 W CA -0.335 57.098 57.345 0.146 0.000 1.231 403 W CB 0.383 29.959 29.460 0.193 0.000 1.143 403 W HN 0.694 nan 8.180 nan 0.000 0.571 404 G N 0.825 109.911 108.800 0.477 0.000 2.531 404 G HA2 0.248 4.208 3.960 -0.001 0.000 0.253 404 G HA3 0.248 4.208 3.960 -0.001 0.000 0.253 404 G C -0.437 174.642 174.900 0.298 0.000 1.439 404 G CA -0.850 44.421 45.100 0.285 0.000 1.056 404 G HN 0.601 nan 8.290 nan 0.000 0.555 405 Q N -1.090 118.757 119.800 0.079 0.000 2.386 405 Q HA 0.029 4.369 4.340 -0.001 0.000 0.282 405 Q C -0.710 175.466 176.000 0.293 0.000 1.050 405 Q CA 0.317 56.132 55.803 0.021 0.000 0.918 405 Q CB 0.260 28.828 28.738 -0.282 0.000 1.266 405 Q HN 0.671 nan 8.270 nan 0.000 0.423 406 H N 2.131 121.303 119.070 0.170 0.000 2.799 406 H HA 0.128 4.684 4.556 -0.001 0.000 0.225 406 H C -0.568 175.049 175.328 0.482 0.000 1.904 406 H CA -0.343 55.860 56.048 0.259 0.000 1.344 406 H CB -0.229 29.688 29.762 0.257 0.000 1.744 406 H HN 0.481 nan 8.280 nan 0.000 0.542 407 H N 1.175 120.466 119.070 0.367 0.000 2.488 407 H HA 0.302 4.858 4.556 -0.001 0.000 0.322 407 H C -0.500 174.965 175.328 0.228 0.000 1.078 407 H CA -0.963 55.271 56.048 0.310 0.000 1.260 407 H CB 1.751 31.718 29.762 0.341 0.000 1.425 407 H HN 0.186 nan 8.280 nan 0.000 0.471 408 V N 2.811 122.939 119.914 0.356 0.000 2.540 408 V HA 0.355 4.474 4.120 -0.001 0.000 0.302 408 V C -0.238 175.960 176.094 0.174 0.000 1.035 408 V CA -0.517 61.907 62.300 0.206 0.000 0.873 408 V CB 1.838 33.712 31.823 0.084 0.000 0.992 408 V HN 0.739 nan 8.190 nan 0.000 0.428 409 S N 2.448 118.239 115.700 0.150 0.000 2.533 409 S HA 0.503 4.973 4.470 -0.001 0.000 0.271 409 S C -0.102 174.607 174.600 0.182 0.000 1.143 409 S CA -0.387 57.892 58.200 0.130 0.000 0.891 409 S CB 2.142 65.404 63.200 0.102 0.000 1.105 409 S HN 0.377 nan 8.310 nan 0.000 0.468 410 V N 3.722 123.709 119.914 0.122 0.000 3.649 410 V HA 0.313 4.432 4.120 -0.001 0.000 0.275 410 V C 1.509 177.747 176.094 0.240 0.000 1.281 410 V CA 1.090 63.486 62.300 0.161 0.000 1.143 410 V CB -0.396 31.422 31.823 -0.009 0.000 0.892 410 V HN 0.808 nan 8.190 nan 0.000 0.441 411 G N -0.029 108.867 108.800 0.159 0.000 2.945 411 G HA2 0.487 4.447 3.960 -0.001 0.000 0.156 411 G HA3 0.487 4.447 3.960 -0.001 0.000 0.156 411 G C 0.494 175.441 174.900 0.079 0.000 1.375 411 G CA -0.054 45.126 45.100 0.132 0.000 1.039 411 G HN 0.442 nan 8.290 nan 0.000 0.586 412 G N -1.214 107.612 108.800 0.043 0.000 2.287 412 G HA2 0.368 4.328 3.960 -0.001 0.000 0.235 412 G HA3 0.368 4.328 3.960 -0.001 0.000 0.235 412 G C 0.803 175.692 174.900 -0.019 0.000 1.258 412 G CA 0.595 45.697 45.100 0.005 0.000 0.884 412 G HN 1.218 nan 8.290 nan 0.000 0.518 413 L N 0.466 121.641 121.223 -0.079 0.000 4.342 413 L HA -0.231 4.108 4.340 -0.001 0.000 0.395 413 L C 1.946 178.700 176.870 -0.193 0.000 0.764 413 L CA 1.346 56.097 54.840 -0.148 0.000 2.417 413 L CB -1.632 40.349 42.059 -0.131 0.000 1.210 413 L HN 0.827 nan 8.230 nan 0.000 0.626 414 G N -0.384 108.365 108.800 -0.084 0.000 2.849 414 G HA2 0.112 4.072 3.960 -0.001 0.000 0.202 414 G HA3 0.112 4.072 3.960 -0.001 0.000 0.202 414 G C 0.747 175.677 174.900 0.050 0.000 1.138 414 G CA 0.921 46.010 45.100 -0.020 0.000 0.692 414 G HN 0.439 nan 8.290 nan 0.000 0.786 415 D N 2.705 123.210 120.400 0.175 0.000 3.725 415 D HA -0.373 4.267 4.640 -0.001 0.000 0.413 415 D C 2.178 178.425 176.300 -0.088 0.000 1.205 415 D CA 3.219 57.300 54.000 0.135 0.000 1.211 415 D CB -1.405 39.316 40.800 -0.131 0.000 0.901 415 D HN 0.528 nan 8.370 nan 0.000 0.578 416 S N -1.428 114.093 115.700 -0.299 0.000 2.522 416 S HA 0.015 4.485 4.470 -0.001 0.000 0.227 416 S C 1.849 176.301 174.600 -0.248 0.000 0.986 416 S CA 0.450 58.436 58.200 -0.358 0.000 0.929 416 S CB -0.785 62.195 63.200 -0.366 0.000 0.769 416 S HN 0.407 nan 8.310 nan 0.000 0.529 417 F N 2.697 122.409 119.950 -0.397 0.000 2.095 417 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 417 F C 1.863 177.478 175.800 -0.308 0.000 1.104 417 F CA 1.066 58.804 58.000 -0.438 0.000 1.232 417 F CB -0.801 37.778 39.000 -0.701 0.000 0.987 417 F HN 0.128 nan 8.300 nan 0.000 0.475 418 Y N 0.819 120.942 120.300 -0.294 0.000 2.145 418 Y HA -0.201 4.348 4.550 -0.001 0.000 0.286 418 Y C 2.705 178.570 175.900 -0.059 0.000 1.145 418 Y CA 1.719 59.656 58.100 -0.272 0.000 1.148 418 Y CB -1.374 37.082 38.460 -0.007 0.000 0.981 418 Y HN 0.238 nan 8.280 nan 0.000 0.507 419 E N -0.515 119.819 120.200 0.224 0.000 2.086 419 E HA -0.280 4.069 4.350 -0.001 0.000 0.200 419 E C 1.643 178.364 176.600 0.202 0.000 1.012 419 E CA 1.776 58.318 56.400 0.238 0.000 0.812 419 E CB -0.327 29.487 29.700 0.190 0.000 0.743 419 E HN 0.500 nan 8.360 nan 0.000 0.453 420 Y N 0.224 120.474 120.300 -0.084 0.000 2.516 420 Y HA 0.014 4.564 4.550 -0.001 0.000 0.291 420 Y C 1.997 177.804 175.900 -0.154 0.000 1.131 420 Y CA 0.355 58.420 58.100 -0.059 0.000 1.281 420 Y CB -0.111 38.367 38.460 0.030 0.000 1.013 420 Y HN 0.087 nan 8.280 nan 0.000 0.554 421 L N -1.206 119.937 121.223 -0.134 0.000 1.994 421 L HA -0.240 4.100 4.340 -0.001 0.000 0.208 421 L C 2.386 179.160 176.870 -0.160 0.000 1.071 421 L CA 1.086 55.814 54.840 -0.187 0.000 0.745 421 L CB -0.871 41.044 42.059 -0.240 0.000 0.892 421 L HN 0.194 nan 8.230 nan 0.000 0.431 422 L N 0.158 121.177 121.223 -0.340 0.000 2.012 422 L HA -0.222 4.117 4.340 -0.001 0.000 0.210 422 L C 2.454 179.222 176.870 -0.171 0.000 1.073 422 L CA 1.903 56.411 54.840 -0.554 0.000 0.748 422 L CB -0.520 40.862 42.059 -1.128 0.000 0.891 422 L HN 0.097 nan 8.230 nan 0.000 0.431 423 K N -0.640 119.681 120.400 -0.131 0.000 2.217 423 K HA 0.024 4.344 4.320 -0.001 0.000 0.202 423 K C 2.067 178.630 176.600 -0.061 0.000 1.051 423 K CA 0.924 57.160 56.287 -0.086 0.000 0.952 423 K CB -0.282 32.165 32.500 -0.088 0.000 0.736 423 K HN 0.483 nan 8.250 nan 0.000 0.453 424 A N 0.917 123.705 122.820 -0.054 0.000 1.902 424 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 424 A C 1.881 179.507 177.584 0.071 0.000 1.181 424 A CA 1.166 53.198 52.037 -0.008 0.000 0.623 424 A CB -0.726 18.181 19.000 -0.154 0.000 0.818 424 A HN 0.563 nan 8.150 nan 0.000 0.443 425 W N 0.801 122.032 121.300 -0.114 0.000 2.378 425 W HA -0.120 4.539 4.660 -0.001 0.000 0.313 425 W C 1.800 178.281 176.519 -0.063 0.000 1.197 425 W CA 1.765 59.065 57.345 -0.075 0.000 1.304 425 W CB -0.642 28.773 29.460 -0.075 0.000 1.148 425 W HN 0.243 nan 8.180 nan 0.000 0.494 426 L N 0.204 121.296 121.223 -0.219 0.000 2.046 426 L HA -0.252 4.087 4.340 -0.001 0.000 0.208 426 L C 2.698 179.418 176.870 -0.250 0.000 1.077 426 L CA 1.782 56.397 54.840 -0.376 0.000 0.747 426 L CB -0.919 41.001 42.059 -0.232 0.000 0.896 426 L HN 0.060 nan 8.230 nan 0.000 0.432 427 M N -0.177 119.348 119.600 -0.126 0.000 2.476 427 M HA -0.097 4.383 4.480 -0.001 0.000 0.262 427 M C 1.894 178.131 176.300 -0.104 0.000 1.079 427 M CA 1.189 56.443 55.300 -0.077 0.000 1.104 427 M CB 0.021 32.636 32.600 0.025 0.000 1.409 427 M HN 0.320 nan 8.290 nan 0.000 0.467 428 S N -1.477 114.159 115.700 -0.107 0.000 2.634 428 S HA 0.035 4.505 4.470 -0.001 0.000 0.221 428 S C 0.467 174.985 174.600 -0.137 0.000 0.952 428 S CA 0.301 58.447 58.200 -0.090 0.000 0.930 428 S CB -0.154 63.044 63.200 -0.003 0.000 0.780 428 S HN 0.591 nan 8.310 nan 0.000 0.498 429 D N 2.334 122.612 120.400 -0.204 0.000 2.772 429 D HA -0.199 4.441 4.640 -0.001 0.000 0.233 429 D C -0.024 176.128 176.300 -0.245 0.000 1.143 429 D CA 1.121 54.986 54.000 -0.224 0.000 0.700 429 D CB -1.919 38.781 40.800 -0.166 0.000 1.076 429 D HN 0.715 nan 8.370 nan 0.000 0.430 430 K N -3.056 117.110 120.400 -0.390 0.000 3.160 430 K HA -0.267 4.052 4.320 -0.001 0.000 0.280 430 K C 1.067 177.690 176.600 0.039 0.000 1.154 430 K CA 1.348 57.340 56.287 -0.491 0.000 0.822 430 K CB -2.473 29.700 32.500 -0.546 0.000 1.239 430 K HN 0.575 nan 8.250 nan 0.000 0.489 431 T N -3.051 111.534 114.554 0.051 0.000 3.037 431 T HA -0.026 4.323 4.350 -0.001 0.000 0.251 431 T C 0.613 175.418 174.700 0.175 0.000 1.079 431 T CA 0.260 62.426 62.100 0.111 0.000 1.067 431 T CB 0.197 69.089 68.868 0.040 0.000 0.948 431 T HN 0.138 nan 8.240 nan 0.000 0.496 432 D N 1.478 122.022 120.400 0.240 0.000 2.508 432 D HA 0.208 4.847 4.640 -0.001 0.000 0.224 432 D C 1.088 177.540 176.300 0.254 0.000 1.171 432 D CA -0.367 53.767 54.000 0.223 0.000 1.006 432 D CB -0.120 40.794 40.800 0.190 0.000 1.073 432 D HN 0.332 nan 8.370 nan 0.000 0.513 433 L N 1.869 123.187 121.223 0.160 0.000 2.217 433 L HA -0.057 4.282 4.340 -0.001 0.000 0.211 433 L C 2.281 179.146 176.870 -0.008 0.000 1.107 433 L CA 0.616 55.491 54.840 0.058 0.000 0.783 433 L CB -0.183 41.915 42.059 0.065 0.000 0.919 433 L HN 0.400 nan 8.230 nan 0.000 0.442 434 E N 0.984 121.205 120.200 0.034 0.000 2.058 434 E HA -0.271 4.078 4.350 -0.001 0.000 0.194 434 E C 2.241 178.844 176.600 0.006 0.000 0.997 434 E CA 1.402 57.821 56.400 0.032 0.000 0.801 434 E CB 0.012 29.747 29.700 0.059 0.000 0.746 434 E HN 0.446 nan 8.360 nan 0.000 0.450 435 A N 1.678 124.496 122.820 -0.003 0.000 1.902 435 A HA -0.226 4.094 4.320 -0.001 0.000 0.217 435 A C 2.165 179.690 177.584 -0.098 0.000 1.181 435 A CA 1.786 53.801 52.037 -0.037 0.000 0.623 435 A CB -0.578 18.416 19.000 -0.010 0.000 0.818 435 A HN 0.254 nan 8.150 nan 0.000 0.443 436 K N -0.207 120.031 120.400 -0.271 0.000 2.026 436 K HA -0.214 4.105 4.320 -0.001 0.000 0.208 436 K C 2.383 178.889 176.600 -0.157 0.000 1.048 436 K CA 2.084 58.044 56.287 -0.546 0.000 0.929 436 K CB -0.336 31.386 32.500 -1.296 0.000 0.713 436 K HN 0.384 nan 8.250 nan 0.000 0.439 437 K N 1.014 121.359 120.400 -0.092 0.000 2.057 437 K HA -0.087 4.233 4.320 -0.001 0.000 0.206 437 K C 2.079 178.712 176.600 0.054 0.000 1.050 437 K CA 1.784 58.078 56.287 0.012 0.000 0.935 437 K CB -0.782 31.724 32.500 0.011 0.000 0.715 437 K HN 0.274 nan 8.250 nan 0.000 0.439 438 M N -1.031 118.600 119.600 0.051 0.000 2.106 438 M HA -0.114 4.366 4.480 -0.001 0.000 0.259 438 M C 2.421 178.752 176.300 0.051 0.000 1.068 438 M CA 2.261 57.620 55.300 0.098 0.000 1.100 438 M CB -0.399 32.256 32.600 0.091 0.000 1.351 438 M HN 0.584 nan 8.290 nan 0.000 0.404 439 Y N 0.454 120.659 120.300 -0.158 0.000 2.089 439 Y HA -0.248 4.302 4.550 -0.001 0.000 0.282 439 Y C 1.891 177.638 175.900 -0.255 0.000 1.139 439 Y CA 1.759 59.688 58.100 -0.284 0.000 1.123 439 Y CB -0.615 37.549 38.460 -0.494 0.000 0.980 439 Y HN 0.024 nan 8.280 nan 0.000 0.493 440 F N 0.764 120.585 119.950 -0.215 0.000 2.234 440 F HA -0.143 4.384 4.527 -0.001 0.000 0.299 440 F C 2.163 177.865 175.800 -0.164 0.000 1.087 440 F CA 1.608 59.444 58.000 -0.273 0.000 1.340 440 F CB -0.691 38.240 39.000 -0.115 0.000 1.031 440 F HN 0.095 nan 8.300 nan 0.000 0.500 441 D N 0.183 120.624 120.400 0.068 0.000 2.117 441 D HA -0.164 4.476 4.640 -0.001 0.000 0.197 441 D C 2.374 178.705 176.300 0.051 0.000 0.987 441 D CA 1.491 55.531 54.000 0.066 0.000 0.829 441 D CB -0.653 40.204 40.800 0.095 0.000 0.961 441 D HN 0.221 nan 8.370 nan 0.000 0.460 442 A N 0.698 123.548 122.820 0.051 0.000 1.877 442 A HA -0.143 4.177 4.320 -0.001 0.000 0.216 442 A C 2.476 180.021 177.584 -0.065 0.000 1.186 442 A CA 2.217 54.319 52.037 0.109 0.000 0.620 442 A CB -0.906 18.209 19.000 0.191 0.000 0.822 442 A HN 0.234 nan 8.150 nan 0.000 0.443 443 V N -2.130 117.648 119.914 -0.227 0.000 2.515 443 V HA -0.225 3.894 4.120 -0.001 0.000 0.250 443 V C 2.366 178.423 176.094 -0.062 0.000 1.058 443 V CA 2.442 64.627 62.300 -0.191 0.000 1.064 443 V CB -1.087 30.540 31.823 -0.326 0.000 0.675 443 V HN 0.511 nan 8.190 nan 0.000 0.461 444 Q N 1.712 121.500 119.800 -0.021 0.000 2.079 444 Q HA -0.009 4.330 4.340 -0.001 0.000 0.200 444 Q C 2.180 178.148 176.000 -0.053 0.000 0.974 444 Q CA 2.517 58.312 55.803 -0.012 0.000 0.840 444 Q CB -0.870 27.872 28.738 0.007 0.000 0.898 444 Q HN 0.709 nan 8.270 nan 0.000 0.430 445 A N -0.003 122.801 122.820 -0.027 0.000 1.930 445 A HA -0.107 4.213 4.320 -0.001 0.000 0.217 445 A C 2.143 179.710 177.584 -0.029 0.000 1.175 445 A CA 1.341 53.379 52.037 0.001 0.000 0.627 445 A CB -0.671 18.353 19.000 0.041 0.000 0.815 445 A HN 0.470 nan 8.150 nan 0.000 0.443 446 I N -0.374 120.152 120.570 -0.073 0.000 2.179 446 I HA -0.262 3.908 4.170 -0.001 0.000 0.242 446 I C 2.544 178.602 176.117 -0.098 0.000 1.088 446 I CA 1.528 62.768 61.300 -0.100 0.000 1.357 446 I CB -0.355 37.563 38.000 -0.137 0.000 1.051 446 I HN 0.419 nan 8.210 nan 0.000 0.409 447 E N 0.159 120.292 120.200 -0.111 0.000 2.058 447 E HA -0.211 4.139 4.350 -0.001 0.000 0.194 447 E C 2.179 178.681 176.600 -0.164 0.000 0.997 447 E CA 2.002 58.319 56.400 -0.139 0.000 0.801 447 E CB -0.200 29.424 29.700 -0.126 0.000 0.746 447 E HN 0.489 nan 8.360 nan 0.000 0.450 448 T N 0.194 114.617 114.554 -0.218 0.000 2.708 448 T HA -0.124 4.225 4.350 -0.001 0.000 0.266 448 T C 1.558 176.034 174.700 -0.373 0.000 1.037 448 T CA 1.177 63.065 62.100 -0.355 0.000 1.146 448 T CB -0.141 68.402 68.868 -0.541 0.000 0.865 448 T HN 0.254 nan 8.240 nan 0.000 0.435 449 H N -0.980 118.039 119.070 -0.085 0.000 2.639 449 H HA 0.338 4.894 4.556 -0.001 0.000 0.267 449 H C 1.346 176.666 175.328 -0.013 0.000 0.958 449 H CA 0.491 56.508 56.048 -0.053 0.000 1.221 449 H CB 0.433 30.083 29.762 -0.186 0.000 1.446 449 H HN 0.221 nan 8.280 nan 0.000 0.512 450 L N -0.023 121.213 121.223 0.020 0.000 2.685 450 L HA 0.253 4.593 4.340 -0.001 0.000 0.235 450 L C 0.592 177.406 176.870 -0.093 0.000 1.070 450 L CA 0.391 55.231 54.840 -0.000 0.000 0.888 450 L CB 0.770 42.819 42.059 -0.017 0.000 1.203 450 L HN -0.023 nan 8.230 nan 0.000 0.499 451 I N 1.117 121.606 120.570 -0.134 0.000 2.371 451 I HA 0.243 4.413 4.170 -0.001 0.000 0.290 451 I C -0.030 175.908 176.117 -0.298 0.000 1.028 451 I CA -0.245 60.922 61.300 -0.221 0.000 1.345 451 I CB 0.457 38.351 38.000 -0.176 0.000 1.407 451 I HN 0.087 nan 8.210 nan 0.000 0.501 452 R N 4.969 125.137 120.500 -0.552 0.000 2.855 452 R HA 0.562 4.901 4.340 -0.001 0.000 0.266 452 R C -1.019 174.919 176.300 -0.602 0.000 1.034 452 R CA -1.135 54.637 56.100 -0.547 0.000 0.944 452 R CB 1.960 31.940 30.300 -0.534 0.000 1.219 452 R HN 0.450 nan 8.270 nan 0.000 0.474 453 K N 0.677 120.921 120.400 -0.260 0.000 2.345 453 K HA 0.308 4.628 4.320 -0.001 0.000 0.255 453 K C -0.180 176.491 176.600 0.117 0.000 0.934 453 K CA -0.311 55.935 56.287 -0.069 0.000 0.801 453 K CB 1.505 33.985 32.500 -0.035 0.000 1.137 453 K HN 0.756 nan 8.250 nan 0.000 0.424 454 S N 1.467 117.315 115.700 0.247 0.000 2.600 454 S HA 0.002 4.472 4.470 -0.001 0.000 0.265 454 S C 1.272 175.964 174.600 0.153 0.000 1.325 454 S CA 0.128 58.491 58.200 0.271 0.000 1.002 454 S CB 1.380 64.773 63.200 0.322 0.000 0.921 454 S HN 0.721 nan 8.310 nan 0.000 0.554 455 S N 0.758 116.533 115.700 0.125 0.000 2.419 455 S HA 0.008 4.477 4.470 -0.001 0.000 0.233 455 S C 1.747 176.392 174.600 0.075 0.000 1.016 455 S CA 0.730 58.977 58.200 0.079 0.000 0.974 455 S CB -1.324 61.910 63.200 0.057 0.000 0.786 455 S HN 1.113 nan 8.310 nan 0.000 0.492 456 G N 0.223 109.080 108.800 0.096 0.000 2.848 456 G HA2 0.413 4.373 3.960 -0.001 0.000 0.208 456 G HA3 0.413 4.373 3.960 -0.001 0.000 0.208 456 G C 1.022 175.975 174.900 0.089 0.000 1.152 456 G CA 0.032 45.183 45.100 0.085 0.000 0.789 456 G HN 1.436 nan 8.290 nan 0.000 0.531 457 G N -0.744 108.113 108.800 0.095 0.000 2.159 457 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.227 457 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.227 457 G C 0.233 175.190 174.900 0.094 0.000 0.986 457 G CA -0.025 45.123 45.100 0.081 0.000 0.651 457 G HN 0.439 nan 8.290 nan 0.000 0.523 458 L N 1.799 123.103 121.223 0.135 0.000 2.292 458 L HA 0.472 4.812 4.340 -0.001 0.000 0.284 458 L C 0.658 177.592 176.870 0.106 0.000 1.065 458 L CA -0.571 54.358 54.840 0.147 0.000 0.806 458 L CB 1.395 43.600 42.059 0.244 0.000 1.175 458 L HN 0.068 nan 8.230 nan 0.000 0.431 459 T N 2.790 117.384 114.554 0.066 0.000 2.794 459 T HA 0.376 4.725 4.350 -0.001 0.000 0.296 459 T C -0.608 174.103 174.700 0.019 0.000 0.949 459 T CA 0.033 62.123 62.100 -0.016 0.000 1.101 459 T CB 0.128 68.986 68.868 -0.016 0.000 0.905 459 T HN 0.429 nan 8.240 nan 0.000 0.516 460 Y N 0.752 120.919 120.300 -0.222 0.000 2.609 460 Y HA 0.774 5.324 4.550 -0.001 0.000 0.342 460 Y C -1.205 174.630 175.900 -0.108 0.000 1.058 460 Y CA -1.925 56.040 58.100 -0.225 0.000 1.055 460 Y CB 1.065 39.094 38.460 -0.717 0.000 1.292 460 Y HN 0.427 nan 8.280 nan 0.000 0.476 461 I N 2.922 123.547 120.570 0.092 0.000 2.328 461 I HA 0.674 4.844 4.170 -0.001 0.000 0.287 461 I C 0.104 176.293 176.117 0.121 0.000 1.012 461 I CA -0.948 60.375 61.300 0.038 0.000 1.195 461 I CB 1.176 39.212 38.000 0.060 0.000 1.350 461 I HN 0.891 nan 8.210 nan 0.000 0.464 462 A N 6.412 129.280 122.820 0.080 0.000 2.246 462 A HA 0.531 4.850 4.320 -0.001 0.000 0.291 462 A C -0.017 177.611 177.584 0.072 0.000 1.103 462 A CA -0.465 51.637 52.037 0.109 0.000 0.844 462 A CB 0.633 19.640 19.000 0.011 0.000 1.136 462 A HN 0.719 nan 8.150 nan 0.000 0.500 463 E N -1.036 119.200 120.200 0.059 0.000 2.202 463 E HA 0.339 4.688 4.350 -0.001 0.000 0.272 463 E C -1.707 174.974 176.600 0.135 0.000 0.951 463 E CA -0.107 56.346 56.400 0.088 0.000 0.813 463 E CB 1.973 31.698 29.700 0.040 0.000 1.151 463 E HN 0.620 nan 8.360 nan 0.000 0.398 464 W N 2.633 123.902 121.300 -0.052 0.000 2.683 464 W HA 0.313 4.972 4.660 -0.001 0.000 0.329 464 W C -0.927 175.562 176.519 -0.049 0.000 1.037 464 W CA -0.544 56.772 57.345 -0.048 0.000 1.232 464 W CB 1.065 30.508 29.460 -0.028 0.000 1.390 464 W HN 0.211 nan 8.180 nan 0.000 0.465 465 K N 5.148 125.385 120.400 -0.272 0.000 2.616 465 K HA 0.372 4.691 4.320 -0.001 0.000 0.241 465 K C 0.247 176.553 176.600 -0.491 0.000 0.961 465 K CA -0.450 55.680 56.287 -0.262 0.000 0.942 465 K CB 1.408 33.704 32.500 -0.341 0.000 1.153 465 K HN 0.845 nan 8.250 nan 0.000 0.452 466 G N 1.736 110.214 108.800 -0.537 0.000 2.356 466 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.296 466 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.296 466 G C 0.797 175.188 174.900 -0.849 0.000 1.022 466 G CA 0.940 45.722 45.100 -0.529 0.000 0.961 466 G HN 1.070 nan 8.290 nan 0.000 0.510 467 G N -2.110 105.567 108.800 -1.871 0.000 2.234 467 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.235 467 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.235 467 G C 0.427 174.851 174.900 -0.794 0.000 0.997 467 G CA 0.438 44.841 45.100 -1.163 0.000 0.623 467 G HN 1.863 nan 8.290 nan 0.000 0.514 468 L N 2.423 123.231 121.223 -0.692 0.000 2.257 468 L HA 0.733 5.073 4.340 -0.001 0.000 0.290 468 L C 0.391 177.086 176.870 -0.291 0.000 1.044 468 L CA -0.819 53.815 54.840 -0.345 0.000 0.810 468 L CB 0.824 42.742 42.059 -0.235 0.000 1.193 468 L HN 0.171 nan 8.230 nan 0.000 0.425 469 L N 4.537 125.665 121.223 -0.158 0.000 2.349 469 L HA 0.350 4.689 4.340 -0.001 0.000 0.275 469 L C 0.284 177.063 176.870 -0.152 0.000 1.115 469 L CA -0.104 54.645 54.840 -0.152 0.000 0.820 469 L CB 1.005 42.925 42.059 -0.231 0.000 1.135 469 L HN 0.663 nan 8.230 nan 0.000 0.445 470 E N 2.607 122.725 120.200 -0.136 0.000 2.133 470 E HA 0.150 4.499 4.350 -0.001 0.000 0.274 470 E C -0.664 175.892 176.600 -0.072 0.000 0.930 470 E CA -0.701 55.666 56.400 -0.056 0.000 0.770 470 E CB 0.693 30.377 29.700 -0.027 0.000 1.104 470 E HN 0.504 nan 8.360 nan 0.000 0.403 471 H N 3.482 122.631 119.070 0.132 0.000 2.855 471 H HA 0.140 4.695 4.556 -0.001 0.000 0.238 471 H C -0.487 174.931 175.328 0.150 0.000 1.847 471 H CA -0.146 56.032 56.048 0.217 0.000 1.368 471 H CB -0.066 29.825 29.762 0.214 0.000 1.758 471 H HN 0.087 nan 8.280 nan 0.000 0.546 472 K N 2.108 122.618 120.400 0.184 0.000 2.523 472 K HA 0.492 4.812 4.320 -0.001 0.000 0.257 472 K C -1.523 175.091 176.600 0.023 0.000 0.932 472 K CA -0.838 55.488 56.287 0.065 0.000 0.812 472 K CB 2.892 35.390 32.500 -0.004 0.000 1.326 472 K HN 0.518 nan 8.250 nan 0.000 0.433 473 M N 2.671 122.155 119.600 -0.194 0.000 2.393 473 M HA 0.662 5.142 4.480 -0.001 0.000 0.299 473 M C 0.003 175.895 176.300 -0.680 0.000 1.103 473 M CA -0.499 54.598 55.300 -0.338 0.000 0.910 473 M CB 2.258 34.731 32.600 -0.212 0.000 1.659 473 M HN 0.951 nan 8.290 nan 0.000 0.445 474 G N 1.047 109.666 108.800 -0.302 0.000 2.425 474 G HA2 0.202 4.162 3.960 -0.001 0.000 0.302 474 G HA3 0.202 4.162 3.960 -0.001 0.000 0.302 474 G C 0.441 175.379 174.900 0.064 0.000 1.159 474 G CA -0.257 44.758 45.100 -0.142 0.000 0.865 474 G HN 0.978 nan 8.290 nan 0.000 0.515 475 H N 1.129 120.300 119.070 0.170 0.000 2.357 475 H HA -0.121 4.435 4.556 -0.001 0.000 0.296 475 H C 2.405 177.857 175.328 0.207 0.000 1.108 475 H CA 1.782 58.005 56.048 0.293 0.000 1.273 475 H CB 0.116 30.040 29.762 0.270 0.000 1.367 475 H HN 0.393 nan 8.280 nan 0.000 0.498 476 L N -0.066 121.338 121.223 0.301 0.000 2.042 476 L HA -0.183 4.157 4.340 -0.001 0.000 0.210 476 L C 2.636 179.677 176.870 0.285 0.000 1.076 476 L CA 1.770 56.751 54.840 0.234 0.000 0.749 476 L CB -0.597 41.541 42.059 0.132 0.000 0.893 476 L HN 0.259 nan 8.230 nan 0.000 0.432 477 T N -1.578 113.108 114.554 0.220 0.000 2.881 477 T HA -0.194 4.156 4.350 -0.001 0.000 0.270 477 T C 1.895 176.679 174.700 0.141 0.000 1.068 477 T CA 1.243 63.470 62.100 0.212 0.000 1.131 477 T CB -0.554 68.377 68.868 0.104 0.000 0.871 477 T HN 0.410 nan 8.240 nan 0.000 0.479 478 c N 1.960 120.642 118.600 0.136 0.000 2.422 478 c HA -0.013 4.557 4.570 -0.001 0.000 0.286 478 c C 2.366 176.423 174.090 -0.055 0.000 1.412 478 c CA -0.103 56.245 56.329 0.031 0.000 1.786 478 c CB -1.973 40.515 42.510 -0.038 0.000 1.835 478 c HN 0.794 nan 8.230 nan 0.000 0.533 479 F N 2.465 122.380 119.950 -0.058 0.000 2.250 479 F HA -0.065 4.462 4.527 -0.001 0.000 0.301 479 F C 2.060 177.755 175.800 -0.175 0.000 1.077 479 F CA 1.188 59.135 58.000 -0.089 0.000 1.348 479 F CB -0.706 38.267 39.000 -0.046 0.000 1.040 479 F HN 0.084 nan 8.300 nan 0.000 0.509 480 A N 1.250 123.188 122.820 -1.468 0.000 2.015 480 A HA 0.080 4.400 4.320 -0.001 0.000 0.219 480 A C 2.477 179.422 177.584 -1.066 0.000 1.163 480 A CA 1.258 52.273 52.037 -1.704 0.000 0.646 480 A CB -1.723 16.490 19.000 -1.313 0.000 0.806 480 A HN 0.553 nan 8.150 nan 0.000 0.448 481 G N -0.179 108.326 108.800 -0.491 0.000 2.446 481 G HA2 -0.025 3.935 3.960 -0.001 0.000 0.217 481 G HA3 -0.025 3.935 3.960 -0.001 0.000 0.217 481 G C 1.531 176.317 174.900 -0.190 0.000 1.168 481 G CA 1.209 46.211 45.100 -0.163 0.000 0.771 481 G HN 0.666 nan 8.290 nan 0.000 0.551 482 G N 0.367 109.016 108.800 -0.252 0.000 2.408 482 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.217 482 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.217 482 G C 1.750 176.318 174.900 -0.553 0.000 1.150 482 G CA 1.065 45.982 45.100 -0.305 0.000 0.776 482 G HN 0.429 nan 8.290 nan 0.000 0.542 483 M N -0.427 118.842 119.600 -0.553 0.000 2.067 483 M HA -0.018 4.462 4.480 -0.001 0.000 0.260 483 M C 2.280 178.410 176.300 -0.282 0.000 1.069 483 M CA 1.564 56.581 55.300 -0.472 0.000 1.117 483 M CB -0.237 32.056 32.600 -0.512 0.000 1.334 483 M HN 0.166 nan 8.290 nan 0.000 0.407 484 F N 0.814 120.651 119.950 -0.189 0.000 2.126 484 F HA -0.152 4.375 4.527 -0.001 0.000 0.299 484 F C 2.791 178.555 175.800 -0.060 0.000 1.096 484 F CA 1.378 59.327 58.000 -0.085 0.000 1.255 484 F CB -1.677 37.309 39.000 -0.024 0.000 0.997 484 F HN 0.275 nan 8.300 nan 0.000 0.479 485 A N -0.287 122.579 122.820 0.076 0.000 1.898 485 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 485 A C 2.156 179.729 177.584 -0.018 0.000 1.181 485 A CA 1.373 53.429 52.037 0.031 0.000 0.620 485 A CB -1.094 17.893 19.000 -0.021 0.000 0.819 485 A HN 0.339 nan 8.150 nan 0.000 0.442 486 L N -0.009 121.123 121.223 -0.153 0.000 2.141 486 L HA 0.022 4.361 4.340 -0.001 0.000 0.209 486 L C 2.159 178.997 176.870 -0.054 0.000 1.094 486 L CA 2.067 56.812 54.840 -0.157 0.000 0.763 486 L CB -0.656 41.169 42.059 -0.390 0.000 0.908 486 L HN 0.274 nan 8.230 nan 0.000 0.437 487 G N -1.809 106.967 108.800 -0.041 0.000 2.813 487 G HA2 0.042 4.001 3.960 -0.001 0.000 0.209 487 G HA3 0.042 4.001 3.960 -0.001 0.000 0.209 487 G C 1.531 176.583 174.900 0.253 0.000 1.150 487 G CA 0.479 45.621 45.100 0.070 0.000 0.785 487 G HN 0.566 nan 8.290 nan 0.000 0.535 488 A N 1.357 124.294 122.820 0.195 0.000 1.902 488 A HA -0.100 4.220 4.320 -0.001 0.000 0.217 488 A C 1.976 179.694 177.584 0.224 0.000 1.181 488 A CA 2.084 54.279 52.037 0.263 0.000 0.623 488 A CB -0.513 18.616 19.000 0.214 0.000 0.818 488 A HN 0.388 nan 8.150 nan 0.000 0.443 489 D N -0.815 119.684 120.400 0.166 0.000 2.144 489 D HA -0.046 4.594 4.640 -0.001 0.000 0.199 489 D C 1.732 178.137 176.300 0.175 0.000 0.984 489 D CA 1.504 55.582 54.000 0.130 0.000 0.834 489 D CB -0.303 40.544 40.800 0.078 0.000 0.955 489 D HN 0.341 nan 8.370 nan 0.000 0.465 490 G N -0.752 108.224 108.800 0.293 0.000 2.985 490 G HA2 0.342 4.302 3.960 -0.001 0.000 0.209 490 G HA3 0.342 4.302 3.960 -0.001 0.000 0.209 490 G C 0.489 175.548 174.900 0.265 0.000 1.165 490 G CA 0.299 45.674 45.100 0.459 0.000 0.776 490 G HN 0.450 nan 8.290 nan 0.000 0.541 491 A N 0.804 123.706 122.820 0.137 0.000 2.406 491 A HA 0.595 4.915 4.320 -0.001 0.000 0.243 491 A C -1.741 175.720 177.584 -0.206 0.000 1.082 491 A CA -0.867 51.033 52.037 -0.228 0.000 0.786 491 A CB 0.112 19.236 19.000 0.206 0.000 1.029 491 A HN 0.187 nan 8.150 nan 0.000 0.495 492 P HA 0.114 nan 4.420 nan 0.000 0.270 492 P C -0.176 177.080 177.300 -0.073 0.000 1.221 492 P CA -0.138 62.857 63.100 -0.174 0.000 0.788 492 P CB 0.241 31.832 31.700 -0.181 0.000 0.904 493 E N 2.035 122.201 120.200 -0.056 0.000 2.966 493 E HA 0.109 4.458 4.350 -0.001 0.000 0.254 493 E C 0.501 177.080 176.600 -0.035 0.000 0.923 493 E CA 1.216 57.596 56.400 -0.034 0.000 0.960 493 E CB -0.862 28.817 29.700 -0.035 0.000 0.901 493 E HN 0.599 nan 8.360 nan 0.000 0.525 494 A N 2.177 124.985 122.820 -0.019 0.000 2.887 494 A HA -0.275 4.045 4.320 -0.001 0.000 0.257 494 A C 1.445 179.008 177.584 -0.035 0.000 1.372 494 A CA 2.266 54.289 52.037 -0.025 0.000 0.879 494 A CB -2.471 16.506 19.000 -0.039 0.000 1.082 494 A HN 0.901 nan 8.150 nan 0.000 0.703 495 R N -1.533 118.962 120.500 -0.009 0.000 2.404 495 R HA 0.742 5.082 4.340 -0.001 0.000 0.237 495 R C 2.318 178.697 176.300 0.130 0.000 0.907 495 R CA 1.689 57.790 56.100 0.001 0.000 1.063 495 R CB -1.158 29.144 30.300 0.003 0.000 1.134 495 R HN 1.907 nan 8.270 nan 0.000 0.529 496 A N 0.504 123.405 122.820 0.135 0.000 1.877 496 A HA -0.073 4.247 4.320 -0.001 0.000 0.216 496 A C 2.630 180.298 177.584 0.139 0.000 1.186 496 A CA 2.351 54.495 52.037 0.178 0.000 0.620 496 A CB -0.834 18.236 19.000 0.116 0.000 0.822 496 A HN 0.735 nan 8.150 nan 0.000 0.443 497 Q N -0.825 119.022 119.800 0.078 0.000 2.124 497 Q HA -0.239 4.101 4.340 -0.001 0.000 0.202 497 Q C 1.961 177.976 176.000 0.026 0.000 0.977 497 Q CA 2.294 58.125 55.803 0.048 0.000 0.850 497 Q CB -1.215 27.540 28.738 0.027 0.000 0.901 497 Q HN 1.019 nan 8.270 nan 0.000 0.429 498 H N -1.203 117.809 119.070 -0.097 0.000 2.352 498 H HA -0.151 4.405 4.556 -0.001 0.000 0.299 498 H C 1.653 176.846 175.328 -0.226 0.000 1.097 498 H CA 2.432 58.348 56.048 -0.220 0.000 1.311 498 H CB -0.247 29.285 29.762 -0.384 0.000 1.377 498 H HN 0.609 nan 8.280 nan 0.000 0.504 499 Y N -0.215 120.005 120.300 -0.133 0.000 2.337 499 Y HA -0.006 4.543 4.550 -0.001 0.000 0.293 499 Y C 2.551 178.404 175.900 -0.078 0.000 1.123 499 Y CA 0.747 58.753 58.100 -0.157 0.000 1.201 499 Y CB -0.277 38.227 38.460 0.072 0.000 1.011 499 Y HN 0.191 nan 8.280 nan 0.000 0.545 500 L N -0.297 120.989 121.223 0.106 0.000 2.083 500 L HA -0.226 4.114 4.340 -0.001 0.000 0.209 500 L C 2.136 179.018 176.870 0.019 0.000 1.083 500 L CA 1.560 56.435 54.840 0.059 0.000 0.752 500 L CB -0.331 41.756 42.059 0.046 0.000 0.899 500 L HN 0.260 nan 8.230 nan 0.000 0.433 501 E N -0.403 119.776 120.200 -0.034 0.000 2.107 501 E HA -0.228 4.122 4.350 -0.001 0.000 0.191 501 E C 2.039 178.596 176.600 -0.072 0.000 0.982 501 E CA 0.749 57.123 56.400 -0.042 0.000 0.809 501 E CB -0.031 29.634 29.700 -0.059 0.000 0.756 501 E HN 0.230 nan 8.360 nan 0.000 0.459 502 L N 0.762 121.869 121.223 -0.194 0.000 2.017 502 L HA -0.048 4.292 4.340 -0.001 0.000 0.208 502 L C 2.180 179.059 176.870 0.016 0.000 1.073 502 L CA 2.184 56.901 54.840 -0.205 0.000 0.745 502 L CB -0.970 40.786 42.059 -0.504 0.000 0.894 502 L HN 0.097 nan 8.230 nan 0.000 0.432 503 G N -0.909 107.951 108.800 0.099 0.000 2.476 503 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.218 503 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.218 503 G C 1.603 176.576 174.900 0.121 0.000 1.164 503 G CA 1.000 46.191 45.100 0.152 0.000 0.768 503 G HN 0.655 nan 8.290 nan 0.000 0.560 504 A N 0.323 123.211 122.820 0.114 0.000 1.933 504 A HA 0.005 4.325 4.320 -0.001 0.000 0.218 504 A C 2.266 179.989 177.584 0.231 0.000 1.175 504 A CA 1.938 54.099 52.037 0.206 0.000 0.628 504 A CB -0.238 18.884 19.000 0.205 0.000 0.814 504 A HN 0.300 nan 8.150 nan 0.000 0.444 505 E N -0.043 120.245 120.200 0.148 0.000 2.107 505 E HA -0.096 4.254 4.350 -0.001 0.000 0.191 505 E C 2.025 178.723 176.600 0.163 0.000 0.982 505 E CA 0.655 57.138 56.400 0.139 0.000 0.809 505 E CB -0.333 29.406 29.700 0.064 0.000 0.756 505 E HN 0.549 nan 8.360 nan 0.000 0.459 506 I N 1.241 121.908 120.570 0.161 0.000 2.226 506 I HA -0.208 3.962 4.170 -0.001 0.000 0.245 506 I C 2.399 178.630 176.117 0.191 0.000 1.100 506 I CA 1.041 62.444 61.300 0.173 0.000 1.374 506 I CB -1.447 36.654 38.000 0.168 0.000 1.057 506 I HN -0.059 nan 8.210 nan 0.000 0.413 507 A N 0.817 123.779 122.820 0.237 0.000 1.908 507 A HA -0.268 4.052 4.320 -0.001 0.000 0.218 507 A C 2.557 180.393 177.584 0.419 0.000 1.181 507 A CA 2.102 54.361 52.037 0.370 0.000 0.627 507 A CB -0.713 18.590 19.000 0.507 0.000 0.818 507 A HN 0.379 nan 8.150 nan 0.000 0.445 508 R N -1.090 119.641 120.500 0.384 0.000 2.066 508 R HA -0.104 4.236 4.340 -0.001 0.000 0.232 508 R C 2.247 178.621 176.300 0.123 0.000 1.131 508 R CA 2.033 58.288 56.100 0.259 0.000 0.955 508 R CB -0.683 29.787 30.300 0.283 0.000 0.851 508 R HN 0.466 nan 8.270 nan 0.000 0.432 509 T N 0.014 114.661 114.554 0.155 0.000 2.684 509 T HA -0.208 4.142 4.350 -0.001 0.000 0.267 509 T C 1.961 176.689 174.700 0.046 0.000 1.036 509 T CA 1.582 63.772 62.100 0.151 0.000 1.148 509 T CB -0.388 68.630 68.868 0.250 0.000 0.863 509 T HN 0.416 nan 8.240 nan 0.000 0.436 510 c N 0.639 119.279 118.600 0.067 0.000 2.440 510 c HA -0.059 4.511 4.570 -0.001 0.000 0.278 510 c C 2.548 176.558 174.090 -0.133 0.000 1.295 510 c CA 0.325 56.623 56.329 -0.053 0.000 1.738 510 c CB -1.365 41.132 42.510 -0.021 0.000 1.987 510 c HN 0.670 nan 8.230 nan 0.000 0.492 511 H N 0.799 119.754 119.070 -0.192 0.000 2.387 511 H HA -0.132 4.424 4.556 -0.001 0.000 0.299 511 H C 2.006 177.166 175.328 -0.280 0.000 1.099 511 H CA 1.440 57.286 56.048 -0.337 0.000 1.315 511 H CB 0.045 29.320 29.762 -0.811 0.000 1.380 511 H HN 0.413 nan 8.280 nan 0.000 0.513 512 E N 0.437 120.448 120.200 -0.314 0.000 2.110 512 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 512 E C 2.492 178.932 176.600 -0.266 0.000 0.988 512 E CA 1.114 57.332 56.400 -0.303 0.000 0.804 512 E CB -0.284 29.331 29.700 -0.141 0.000 0.745 512 E HN 0.592 nan 8.360 nan 0.000 0.458 513 S N -0.124 115.388 115.700 -0.312 0.000 2.399 513 S HA -0.163 4.306 4.470 -0.001 0.000 0.231 513 S C 1.987 176.498 174.600 -0.148 0.000 1.022 513 S CA 0.721 58.681 58.200 -0.399 0.000 0.983 513 S CB -0.406 62.189 63.200 -1.009 0.000 0.803 513 S HN 0.153 nan 8.310 nan 0.000 0.480 514 Y N 2.515 122.627 120.300 -0.312 0.000 2.184 514 Y HA 0.120 4.669 4.550 -0.001 0.000 0.290 514 Y C 2.731 178.463 175.900 -0.281 0.000 1.129 514 Y CA 0.629 58.578 58.100 -0.251 0.000 1.144 514 Y CB -1.191 37.179 38.460 -0.150 0.000 0.995 514 Y HN 0.368 nan 8.280 nan 0.000 0.513 515 N N 0.898 119.458 118.700 -0.233 0.000 2.149 515 N HA -0.183 4.557 4.740 -0.001 0.000 0.188 515 N C 1.127 176.534 175.510 -0.171 0.000 1.019 515 N CA 1.313 54.197 53.050 -0.276 0.000 0.857 515 N CB -0.134 38.087 38.487 -0.444 0.000 0.997 515 N HN 0.216 nan 8.380 nan 0.000 0.426 516 R N -0.283 120.134 120.500 -0.138 0.000 2.363 516 R HA 0.108 4.448 4.340 -0.001 0.000 0.236 516 R C 0.224 176.548 176.300 0.040 0.000 0.966 516 R CA 0.248 56.318 56.100 -0.051 0.000 1.100 516 R CB -0.038 30.237 30.300 -0.042 0.000 1.125 516 R HN 0.320 nan 8.270 nan 0.000 0.514 517 T N -4.122 110.380 114.554 -0.087 0.000 2.936 517 T HA 0.094 4.444 4.350 -0.001 0.000 0.282 517 T C 0.698 175.335 174.700 -0.105 0.000 1.003 517 T CA -0.775 61.209 62.100 -0.195 0.000 1.005 517 T CB 1.148 69.722 68.868 -0.491 0.000 1.097 517 T HN 0.071 nan 8.240 nan 0.000 0.532 518 Y N 1.256 121.434 120.300 -0.202 0.000 2.184 518 Y HA 0.008 4.558 4.550 -0.000 0.000 0.290 518 Y C 2.404 178.166 175.900 -0.230 0.000 1.129 518 Y CA 2.152 60.154 58.100 -0.163 0.000 1.144 518 Y CB -0.501 37.873 38.460 -0.143 0.000 0.995 518 Y HN 0.480 nan 8.280 nan 0.000 0.513 519 V N -2.601 117.231 119.914 -0.137 0.000 3.306 519 V HA 0.078 4.198 4.120 -0.001 0.000 0.264 519 V C 0.633 176.647 176.094 -0.134 0.000 1.149 519 V CA 0.857 62.967 62.300 -0.316 0.000 1.143 519 V CB -0.404 31.117 31.823 -0.503 0.000 0.767 519 V HN 0.363 nan 8.190 nan 0.000 0.476 520 K N -0.199 120.086 120.400 -0.191 0.000 3.192 520 K HA -0.153 4.167 4.320 -0.001 0.000 0.278 520 K C -0.415 176.023 176.600 -0.270 0.000 1.164 520 K CA 0.785 56.981 56.287 -0.151 0.000 0.816 520 K CB -2.368 30.114 32.500 -0.030 0.000 1.256 520 K HN 0.645 nan 8.250 nan 0.000 0.497 521 L N -0.174 120.704 121.223 -0.574 0.000 2.408 521 L HA 0.554 4.894 4.340 -0.001 0.000 0.268 521 L C 1.044 177.223 176.870 -1.152 0.000 0.986 521 L CA -0.860 53.268 54.840 -1.186 0.000 0.820 521 L CB 2.127 43.518 42.059 -1.114 0.000 1.303 521 L HN 0.148 nan 8.230 nan 0.000 0.411 522 G N 2.067 109.930 108.800 -1.561 0.000 2.572 522 G HA2 0.537 4.497 3.960 -0.001 0.000 0.261 522 G HA3 0.537 4.497 3.960 -0.001 0.000 0.261 522 G C -2.597 172.233 174.900 -0.118 0.000 1.197 522 G CA -0.882 43.898 45.100 -0.533 0.000 0.870 522 G HN 0.321 nan 8.290 nan 0.000 0.548 523 P HA 0.204 nan 4.420 nan 0.000 0.276 523 P C 0.264 177.669 177.300 0.176 0.000 1.252 523 P CA -0.332 62.820 63.100 0.086 0.000 0.802 523 P CB 1.906 33.711 31.700 0.175 0.000 1.035 524 E N 1.259 121.396 120.200 -0.105 0.000 2.110 524 E HA -0.058 4.291 4.350 -0.001 0.000 0.193 524 E C 0.199 176.786 176.600 -0.022 0.000 0.988 524 E CA 1.241 57.511 56.400 -0.216 0.000 0.804 524 E CB -0.390 28.761 29.700 -0.914 0.000 0.745 524 E HN 0.580 nan 8.360 nan 0.000 0.458 525 A N -0.897 121.919 122.820 -0.008 0.000 2.498 525 A HA 0.622 4.941 4.320 -0.001 0.000 0.298 525 A C -1.247 176.382 177.584 0.074 0.000 1.075 525 A CA -0.699 51.306 52.037 -0.053 0.000 0.714 525 A CB 0.891 19.833 19.000 -0.097 0.000 1.299 525 A HN 0.263 nan 8.150 nan 0.000 0.407 526 F N -0.841 119.103 119.950 -0.009 0.000 2.613 526 F HA 0.890 5.417 4.527 -0.000 0.000 0.310 526 F C -0.317 175.335 175.800 -0.247 0.000 1.085 526 F CA -0.957 56.972 58.000 -0.119 0.000 0.945 526 F CB 1.573 40.505 39.000 -0.114 0.000 1.298 526 F HN 0.595 nan 8.300 nan 0.000 0.455 527 R N 0.726 121.055 120.500 -0.286 0.000 2.892 527 R HA 0.655 4.995 4.340 -0.001 0.000 0.265 527 R C -1.571 174.263 176.300 -0.776 0.000 1.025 527 R CA -0.907 54.980 56.100 -0.355 0.000 0.982 527 R CB 1.986 32.190 30.300 -0.159 0.000 1.185 527 R HN 0.789 nan 8.270 nan 0.000 0.484 528 F N 0.219 120.066 119.950 -0.172 0.000 2.777 528 F HA 0.182 4.709 4.527 -0.001 0.000 0.361 528 F C -0.267 175.449 175.800 -0.140 0.000 1.254 528 F CA -0.552 57.298 58.000 -0.249 0.000 1.181 528 F CB 0.589 39.150 39.000 -0.733 0.000 1.082 528 F HN 0.496 nan 8.300 nan 0.000 0.510 529 D N -2.133 118.271 120.400 0.006 0.000 2.895 529 D HA 0.466 5.106 4.640 -0.001 0.000 0.320 529 D C 1.007 177.288 176.300 -0.032 0.000 1.249 529 D CA -0.370 53.622 54.000 -0.013 0.000 0.997 529 D CB 0.718 41.510 40.800 -0.013 0.000 1.430 529 D HN 0.034 nan 8.370 nan 0.000 0.558 530 G N -1.343 107.441 108.800 -0.026 0.000 2.258 530 G HA2 0.165 4.125 3.960 -0.001 0.000 0.274 530 G HA3 0.165 4.125 3.960 -0.001 0.000 0.274 530 G C 1.191 176.066 174.900 -0.041 0.000 1.021 530 G CA 1.195 46.276 45.100 -0.032 0.000 0.798 530 G HN 1.811 nan 8.290 nan 0.000 0.507 531 G N -3.096 105.682 108.800 -0.037 0.000 2.143 531 G HA2 0.120 4.080 3.960 -0.001 0.000 0.249 531 G HA3 0.120 4.080 3.960 -0.001 0.000 0.249 531 G C 0.828 175.697 174.900 -0.051 0.000 0.981 531 G CA 1.314 46.391 45.100 -0.037 0.000 0.665 531 G HN 2.385 nan 8.290 nan 0.000 0.528 532 V N -3.773 116.099 119.914 -0.071 0.000 3.046 532 V HA 0.972 5.092 4.120 -0.001 0.000 0.316 532 V C -0.544 175.469 176.094 -0.135 0.000 1.104 532 V CA -1.248 60.987 62.300 -0.108 0.000 1.006 532 V CB 2.241 33.977 31.823 -0.145 0.000 1.058 532 V HN 0.258 nan 8.190 nan 0.000 0.440 533 E N 2.118 122.219 120.200 -0.165 0.000 2.281 533 E HA 0.634 4.983 4.350 -0.001 0.000 0.266 533 E C -0.033 176.379 176.600 -0.314 0.000 0.893 533 E CA -0.378 55.892 56.400 -0.217 0.000 0.798 533 E CB 1.600 31.329 29.700 0.049 0.000 1.245 533 E HN 1.860 nan 8.360 nan 0.000 0.410 534 A N 2.832 125.221 122.820 -0.719 0.000 2.905 534 A HA -0.209 4.111 4.320 -0.001 0.000 0.260 534 A C 0.121 177.560 177.584 -0.241 0.000 1.398 534 A CA 1.365 53.144 52.037 -0.431 0.000 0.840 534 A CB -2.472 16.420 19.000 -0.180 0.000 1.059 534 A HN 0.606 nan 8.150 nan 0.000 0.647 535 I N -4.463 115.995 120.570 -0.186 0.000 2.892 535 I HA 0.914 5.084 4.170 -0.001 0.000 0.306 535 I C 0.257 176.354 176.117 -0.033 0.000 1.078 535 I CA -0.873 60.399 61.300 -0.046 0.000 1.032 535 I CB 2.175 40.092 38.000 -0.138 0.000 1.229 535 I HN 0.829 nan 8.210 nan 0.000 0.435 536 A N 2.301 125.145 122.820 0.040 0.000 2.351 536 A HA 0.586 4.906 4.320 -0.001 0.000 0.257 536 A C 0.820 178.317 177.584 -0.146 0.000 1.087 536 A CA 0.313 52.352 52.037 0.003 0.000 0.798 536 A CB 0.403 19.489 19.000 0.144 0.000 1.033 536 A HN 0.993 nan 8.150 nan 0.000 0.488 537 T N -1.650 112.847 114.554 -0.096 0.000 3.028 537 T HA 0.135 4.484 4.350 -0.001 0.000 0.250 537 T C 0.713 175.373 174.700 -0.067 0.000 0.979 537 T CA -0.004 62.031 62.100 -0.109 0.000 1.004 537 T CB 0.043 68.856 68.868 -0.091 0.000 1.120 537 T HN 0.488 nan 8.240 nan 0.000 0.482 538 R N 2.128 122.608 120.500 -0.034 0.000 2.389 538 R HA 0.418 4.757 4.340 -0.001 0.000 0.295 538 R C 1.311 177.620 176.300 0.016 0.000 1.075 538 R CA -0.265 55.830 56.100 -0.009 0.000 1.005 538 R CB 0.781 31.081 30.300 0.001 0.000 0.987 538 R HN 0.506 nan 8.270 nan 0.000 0.452 539 Q N 2.411 122.223 119.800 0.019 0.000 2.152 539 Q HA -0.213 4.127 4.340 -0.001 0.000 0.206 539 Q C 1.499 177.551 176.000 0.088 0.000 0.985 539 Q CA 2.484 58.313 55.803 0.044 0.000 0.863 539 Q CB -0.288 28.467 28.738 0.027 0.000 0.904 539 Q HN 0.790 nan 8.270 nan 0.000 0.422 540 N N 0.105 118.857 118.700 0.086 0.000 2.515 540 N HA -0.125 4.615 4.740 -0.001 0.000 0.191 540 N C 0.357 175.999 175.510 0.219 0.000 1.182 540 N CA 1.043 54.178 53.050 0.142 0.000 0.879 540 N CB -0.138 38.404 38.487 0.092 0.000 0.984 540 N HN 0.668 nan 8.380 nan 0.000 0.453 541 E N -0.373 119.902 120.200 0.125 0.000 2.660 541 E HA 0.132 4.482 4.350 -0.001 0.000 0.216 541 E C 0.256 176.849 176.600 -0.012 0.000 0.986 541 E CA -0.374 56.033 56.400 0.012 0.000 1.037 541 E CB 0.001 29.696 29.700 -0.008 0.000 1.041 541 E HN 0.164 nan 8.360 nan 0.000 0.480 542 K N 0.862 121.332 120.400 0.117 0.000 2.417 542 K HA 0.099 4.419 4.320 -0.001 0.000 0.196 542 K C -0.086 176.592 176.600 0.129 0.000 1.023 542 K CA -0.123 56.270 56.287 0.177 0.000 1.122 542 K CB -0.029 32.626 32.500 0.258 0.000 0.850 542 K HN 0.260 nan 8.250 nan 0.000 0.521 543 Y N -1.192 119.156 120.300 0.080 0.000 2.300 543 Y HA 0.318 4.867 4.550 -0.001 0.000 0.328 543 Y C -0.479 175.485 175.900 0.107 0.000 1.270 543 Y CA -1.536 56.601 58.100 0.061 0.000 1.352 543 Y CB 0.280 38.762 38.460 0.036 0.000 1.286 543 Y HN -0.054 nan 8.280 nan 0.000 0.536 544 Y N 4.923 125.319 120.300 0.160 0.000 2.327 544 Y HA 0.424 4.973 4.550 -0.000 0.000 0.325 544 Y C -0.563 175.419 175.900 0.137 0.000 0.999 544 Y CA -2.227 55.906 58.100 0.055 0.000 1.195 544 Y CB 1.089 39.513 38.460 -0.061 0.000 1.132 544 Y HN 0.770 nan 8.280 nan 0.000 0.455 545 I N 4.963 125.336 120.570 -0.327 0.000 3.261 545 I HA 0.309 4.479 4.170 -0.001 0.000 0.341 545 I C -0.225 175.662 176.117 -0.383 0.000 1.355 545 I CA -0.410 60.751 61.300 -0.232 0.000 1.070 545 I CB -0.149 37.888 38.000 0.061 0.000 1.742 545 I HN 0.816 nan 8.210 nan 0.000 0.498 546 L N 0.045 120.659 121.223 -1.016 0.000 4.040 546 L HA -0.213 4.127 4.340 -0.001 0.000 0.410 546 L C 0.622 177.557 176.870 0.109 0.000 1.187 546 L CA 0.599 55.181 54.840 -0.431 0.000 0.956 546 L CB -1.579 40.353 42.059 -0.211 0.000 2.022 546 L HN 0.633 nan 8.230 nan 0.000 0.897 547 R N 1.365 121.745 120.500 -0.200 0.000 2.594 547 R HA 0.140 4.479 4.340 -0.001 0.000 0.272 547 R C -1.165 175.355 176.300 0.367 0.000 1.074 547 R CA -0.763 55.372 56.100 0.059 0.000 1.105 547 R CB 0.522 30.613 30.300 -0.348 0.000 1.008 547 R HN -0.007 nan 8.270 nan 0.000 0.472 548 P HA 0.100 nan 4.420 nan 0.000 0.264 548 P C -0.050 177.423 177.300 0.289 0.000 1.259 548 P CA 0.425 63.730 63.100 0.342 0.000 0.841 548 P CB 0.545 32.423 31.700 0.296 0.000 1.232 549 E N 0.102 120.509 120.200 0.345 0.000 2.150 549 E HA -0.082 4.268 4.350 -0.001 0.000 0.193 549 E C 1.999 178.581 176.600 -0.031 0.000 0.985 549 E CA 0.896 57.400 56.400 0.174 0.000 0.814 549 E CB -0.953 28.892 29.700 0.242 0.000 0.752 549 E HN 0.042 nan 8.360 nan 0.000 0.466 550 V N 0.468 120.301 119.914 -0.136 0.000 2.323 550 V HA -0.181 3.939 4.120 -0.001 0.000 0.244 550 V C 2.089 177.726 176.094 -0.763 0.000 1.041 550 V CA 1.316 63.313 62.300 -0.505 0.000 1.025 550 V CB -0.320 31.057 31.823 -0.744 0.000 0.656 550 V HN 0.236 nan 8.190 nan 0.000 0.451 551 I N 0.203 120.509 120.570 -0.441 0.000 2.226 551 I HA -0.262 3.908 4.170 -0.001 0.000 0.245 551 I C 2.593 178.585 176.117 -0.209 0.000 1.100 551 I CA 1.843 62.984 61.300 -0.266 0.000 1.374 551 I CB -0.317 37.731 38.000 0.078 0.000 1.057 551 I HN 0.430 nan 8.210 nan 0.000 0.413 552 E N 0.568 120.606 120.200 -0.270 0.000 2.070 552 E HA -0.270 4.079 4.350 -0.001 0.000 0.197 552 E C 2.066 178.472 176.600 -0.324 0.000 1.004 552 E CA 2.166 58.193 56.400 -0.622 0.000 0.805 552 E CB -0.029 29.378 29.700 -0.487 0.000 0.744 552 E HN 0.377 nan 8.360 nan 0.000 0.451 553 T N 0.079 114.532 114.554 -0.169 0.000 2.788 553 T HA -0.143 4.206 4.350 -0.001 0.000 0.268 553 T C 1.388 176.100 174.700 0.018 0.000 1.044 553 T CA 1.248 63.319 62.100 -0.048 0.000 1.139 553 T CB -0.357 68.459 68.868 -0.086 0.000 0.867 553 T HN 0.270 nan 8.240 nan 0.000 0.454 554 Y N 0.957 121.218 120.300 -0.066 0.000 2.207 554 Y HA -0.032 4.517 4.550 -0.000 0.000 0.287 554 Y C 2.456 178.285 175.900 -0.117 0.000 1.156 554 Y CA 0.088 58.157 58.100 -0.053 0.000 1.182 554 Y CB -0.957 37.549 38.460 0.077 0.000 0.979 554 Y HN 0.176 nan 8.280 nan 0.000 0.521 555 M N -0.984 118.599 119.600 -0.028 0.000 2.086 555 M HA -0.256 4.224 4.480 -0.001 0.000 0.261 555 M C 1.761 177.960 176.300 -0.170 0.000 1.067 555 M CA 1.962 57.179 55.300 -0.138 0.000 1.116 555 M CB -0.922 31.467 32.600 -0.351 0.000 1.348 555 M HN 0.271 nan 8.290 nan 0.000 0.407 556 Y N 0.229 120.431 120.300 -0.162 0.000 2.181 556 Y HA -0.216 4.334 4.550 -0.000 0.000 0.288 556 Y C 2.494 178.262 175.900 -0.219 0.000 1.146 556 Y CA 1.598 59.599 58.100 -0.164 0.000 1.164 556 Y CB -0.665 37.695 38.460 -0.166 0.000 0.982 556 Y HN 0.203 nan 8.280 nan 0.000 0.515 557 M N -1.109 118.388 119.600 -0.171 0.000 2.159 557 M HA -0.283 4.196 4.480 -0.001 0.000 0.263 557 M C 2.133 178.175 176.300 -0.430 0.000 1.063 557 M CA 1.228 56.224 55.300 -0.507 0.000 1.110 557 M CB -1.629 30.241 32.600 -1.217 0.000 1.374 557 M HN 0.613 nan 8.290 nan 0.000 0.411 558 W N 1.730 122.795 121.300 -0.393 0.000 2.355 558 W HA -0.187 4.473 4.660 -0.001 0.000 0.309 558 W C 1.958 178.230 176.519 -0.411 0.000 1.206 558 W CA 1.285 58.486 57.345 -0.241 0.000 1.284 558 W CB -0.381 28.976 29.460 -0.171 0.000 1.145 558 W HN 0.201 nan 8.180 nan 0.000 0.502 559 R N 0.186 120.389 120.500 -0.496 0.000 2.148 559 R HA -0.076 4.263 4.340 -0.001 0.000 0.227 559 R C 2.114 178.038 176.300 -0.626 0.000 1.103 559 R CA 1.139 56.866 56.100 -0.622 0.000 0.983 559 R CB -0.349 29.843 30.300 -0.179 0.000 0.874 559 R HN 0.310 nan 8.270 nan 0.000 0.451 560 L N -0.669 120.302 121.223 -0.420 0.000 2.616 560 L HA 0.082 4.421 4.340 -0.001 0.000 0.229 560 L C 1.673 178.386 176.870 -0.261 0.000 1.110 560 L CA 0.603 55.289 54.840 -0.255 0.000 0.884 560 L CB 0.491 42.487 42.059 -0.105 0.000 1.115 560 L HN 0.232 nan 8.230 nan 0.000 0.481 561 T N -6.822 107.505 114.554 -0.377 0.000 3.010 561 T HA 0.057 4.407 4.350 -0.001 0.000 0.253 561 T C 0.644 175.189 174.700 -0.258 0.000 0.939 561 T CA -0.000 61.971 62.100 -0.214 0.000 0.910 561 T CB -0.035 68.813 68.868 -0.034 0.000 1.226 561 T HN 0.243 nan 8.240 nan 0.000 0.508 562 H N 1.787 120.543 119.070 -0.523 0.000 2.776 562 H HA -0.105 4.450 4.556 -0.000 0.000 0.300 562 H C -0.434 174.748 175.328 -0.243 0.000 1.161 562 H CA 0.767 56.273 56.048 -0.904 0.000 1.147 562 H CB -1.464 27.817 29.762 -0.800 0.000 1.366 562 H HN 0.455 nan 8.280 nan 0.000 0.397 563 D N 0.712 121.167 120.400 0.092 0.000 2.358 563 D HA 0.017 4.657 4.640 -0.001 0.000 0.258 563 D C -1.280 175.149 176.300 0.214 0.000 1.223 563 D CA -2.047 52.014 54.000 0.102 0.000 0.886 563 D CB 1.109 41.899 40.800 -0.017 0.000 1.120 563 D HN 0.120 nan 8.370 nan 0.000 0.482 564 P HA -0.187 nan 4.420 nan 0.000 0.218 564 P C 1.223 178.377 177.300 -0.244 0.000 1.146 564 P CA 1.376 64.509 63.100 0.055 0.000 0.813 564 P CB -0.016 31.684 31.700 -0.000 0.000 0.778 565 K N -1.143 118.954 120.400 -0.505 0.000 2.152 565 K HA -0.194 4.126 4.320 -0.001 0.000 0.206 565 K C 1.530 177.366 176.600 -1.273 0.000 1.048 565 K CA 1.466 57.181 56.287 -0.954 0.000 0.933 565 K CB -1.107 30.642 32.500 -1.251 0.000 0.721 565 K HN 0.112 nan 8.250 nan 0.000 0.447 566 Y N 1.567 121.452 120.300 -0.693 0.000 2.263 566 Y HA 0.020 4.570 4.550 -0.000 0.000 0.292 566 Y C 2.484 178.108 175.900 -0.460 0.000 1.130 566 Y CA 0.849 58.586 58.100 -0.606 0.000 1.179 566 Y CB -0.240 38.082 38.460 -0.230 0.000 0.998 566 Y HN 0.009 nan 8.280 nan 0.000 0.532 567 R N -0.722 119.572 120.500 -0.343 0.000 2.092 567 R HA -0.110 4.229 4.340 -0.001 0.000 0.231 567 R C 2.146 178.416 176.300 -0.049 0.000 1.119 567 R CA 1.751 57.606 56.100 -0.407 0.000 0.970 567 R CB -0.588 29.303 30.300 -0.683 0.000 0.864 567 R HN 0.249 nan 8.270 nan 0.000 0.440 568 T N -0.039 114.434 114.554 -0.135 0.000 2.684 568 T HA -0.171 4.179 4.350 -0.001 0.000 0.267 568 T C 1.215 176.036 174.700 0.201 0.000 1.036 568 T CA 1.309 63.428 62.100 0.031 0.000 1.148 568 T CB -0.182 68.638 68.868 -0.080 0.000 0.863 568 T HN 0.350 nan 8.240 nan 0.000 0.436 569 W N 1.397 122.557 121.300 -0.233 0.000 2.388 569 W HA 0.222 4.881 4.660 -0.000 0.000 0.294 569 W C 2.826 179.310 176.519 -0.059 0.000 1.212 569 W CA -0.026 57.110 57.345 -0.348 0.000 1.271 569 W CB -1.508 27.333 29.460 -1.031 0.000 1.126 569 W HN 0.301 nan 8.180 nan 0.000 0.535 570 A N -0.294 122.657 122.820 0.218 0.000 1.898 570 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 570 A C 1.999 179.891 177.584 0.512 0.000 1.181 570 A CA 1.353 53.672 52.037 0.471 0.000 0.620 570 A CB -1.463 17.757 19.000 0.367 0.000 0.819 570 A HN 0.453 nan 8.150 nan 0.000 0.442 571 W N 0.955 122.460 121.300 0.342 0.000 2.402 571 W HA -0.135 4.526 4.660 0.000 0.000 0.286 571 W C 1.701 178.336 176.519 0.194 0.000 1.221 571 W CA 1.617 59.104 57.345 0.237 0.000 1.257 571 W CB -0.051 29.497 29.460 0.147 0.000 1.120 571 W HN 0.563 nan 8.180 nan 0.000 0.551 572 E N 0.393 120.750 120.200 0.261 0.000 2.085 572 E HA -0.213 4.137 4.350 -0.001 0.000 0.194 572 E C 2.364 179.034 176.600 0.116 0.000 0.994 572 E CA 1.637 58.138 56.400 0.168 0.000 0.801 572 E CB -0.426 29.431 29.700 0.261 0.000 0.743 572 E HN 0.203 nan 8.360 nan 0.000 0.453 573 A N 0.779 123.732 122.820 0.222 0.000 1.930 573 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 573 A C 2.483 180.122 177.584 0.092 0.000 1.175 573 A CA 0.909 53.091 52.037 0.242 0.000 0.627 573 A CB -0.513 18.725 19.000 0.398 0.000 0.815 573 A HN 0.108 nan 8.150 nan 0.000 0.443 574 V N 0.520 120.404 119.914 -0.051 0.000 2.255 574 V HA -0.292 3.828 4.120 -0.001 0.000 0.247 574 V C 2.442 178.338 176.094 -0.330 0.000 1.051 574 V CA 2.332 64.479 62.300 -0.256 0.000 1.018 574 V CB -0.868 30.547 31.823 -0.680 0.000 0.641 574 V HN 0.629 nan 8.190 nan 0.000 0.445 575 E N 0.224 120.146 120.200 -0.465 0.000 2.110 575 E HA -0.208 4.141 4.350 -0.001 0.000 0.193 575 E C 2.315 178.842 176.600 -0.121 0.000 0.988 575 E CA 1.329 57.545 56.400 -0.308 0.000 0.804 575 E CB -0.310 29.235 29.700 -0.259 0.000 0.745 575 E HN 0.618 nan 8.360 nan 0.000 0.458 576 A N 1.455 124.252 122.820 -0.038 0.000 1.873 576 A HA -0.140 4.180 4.320 -0.001 0.000 0.215 576 A C 2.250 179.889 177.584 0.092 0.000 1.186 576 A CA 0.955 53.029 52.037 0.061 0.000 0.616 576 A CB -0.655 18.390 19.000 0.076 0.000 0.823 576 A HN 0.114 nan 8.150 nan 0.000 0.442 577 L N -0.533 120.753 121.223 0.104 0.000 2.042 577 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 577 L C 2.645 179.639 176.870 0.206 0.000 1.076 577 L CA 1.353 56.315 54.840 0.203 0.000 0.749 577 L CB -0.461 41.752 42.059 0.256 0.000 0.893 577 L HN 0.343 nan 8.230 nan 0.000 0.432 578 E N -0.784 119.474 120.200 0.097 0.000 2.107 578 E HA -0.168 4.182 4.350 -0.001 0.000 0.191 578 E C 2.367 178.943 176.600 -0.041 0.000 0.982 578 E CA 1.277 57.706 56.400 0.049 0.000 0.809 578 E CB -0.173 29.514 29.700 -0.022 0.000 0.756 578 E HN 0.301 nan 8.360 nan 0.000 0.459 579 S N -0.419 115.205 115.700 -0.126 0.000 2.387 579 S HA -0.114 4.356 4.470 -0.001 0.000 0.226 579 S C 1.506 175.882 174.600 -0.374 0.000 1.026 579 S CA 0.893 58.900 58.200 -0.321 0.000 0.972 579 S CB 0.052 62.925 63.200 -0.545 0.000 0.814 579 S HN 0.311 nan 8.310 nan 0.000 0.477 580 H N -1.790 117.336 119.070 0.093 0.000 3.205 580 H HA 0.366 4.922 4.556 -0.000 0.000 0.252 580 H C 1.546 177.008 175.328 0.224 0.000 1.015 580 H CA 0.355 56.478 56.048 0.126 0.000 1.192 580 H CB -0.087 29.719 29.762 0.073 0.000 1.474 580 H HN 0.415 nan 8.280 nan 0.000 0.484 581 C N 0.414 119.894 119.300 0.299 0.000 2.935 581 C HA 0.219 4.679 4.460 -0.001 0.000 0.308 581 C C 1.449 176.510 174.990 0.117 0.000 1.263 581 C CA -0.370 58.822 59.018 0.290 0.000 1.738 581 C CB 0.469 28.392 27.740 0.306 0.000 2.237 581 C HN 0.223 nan 8.230 nan 0.000 0.600 582 R N 1.909 122.413 120.500 0.007 0.000 2.401 582 R HA 0.400 4.740 4.340 -0.001 0.000 0.299 582 R C -0.433 175.694 176.300 -0.290 0.000 1.064 582 R CA 0.425 56.278 56.100 -0.411 0.000 1.000 582 R CB 0.502 30.568 30.300 -0.389 0.000 0.973 582 R HN 0.387 nan 8.270 nan 0.000 0.438 583 V N 1.231 120.954 119.914 -0.318 0.000 3.158 583 V HA 0.280 4.400 4.120 -0.001 0.000 0.311 583 V C 0.996 177.043 176.094 -0.077 0.000 1.181 583 V CA -0.956 61.197 62.300 -0.245 0.000 1.054 583 V CB 1.823 33.391 31.823 -0.425 0.000 1.085 583 V HN 0.880 nan 8.190 nan 0.000 0.446 584 N N 1.116 119.775 118.700 -0.069 0.000 2.094 584 N HA -0.132 4.607 4.740 -0.001 0.000 0.191 584 N C 1.392 176.917 175.510 0.025 0.000 1.023 584 N CA 2.195 55.258 53.050 0.022 0.000 0.857 584 N CB -0.138 38.339 38.487 -0.017 0.000 1.013 584 N HN 1.047 nan 8.380 nan 0.000 0.426 585 G N -0.968 107.784 108.800 -0.080 0.000 3.233 585 G HA2 0.450 4.409 3.960 -0.001 0.000 0.227 585 G HA3 0.450 4.409 3.960 -0.001 0.000 0.227 585 G C 0.538 175.360 174.900 -0.130 0.000 1.175 585 G CA 0.464 45.504 45.100 -0.100 0.000 0.781 585 G HN 0.714 nan 8.290 nan 0.000 0.542 586 G N -0.718 107.971 108.800 -0.185 0.000 2.233 586 G HA2 0.077 4.037 3.960 -0.001 0.000 0.162 586 G HA3 0.077 4.037 3.960 -0.001 0.000 0.162 586 G C -1.505 173.291 174.900 -0.174 0.000 1.327 586 G CA -0.951 44.043 45.100 -0.176 0.000 1.187 586 G HN 0.148 nan 8.290 nan 0.000 0.479 587 Y N 0.457 120.753 120.300 -0.006 0.000 2.425 587 Y HA 0.762 5.312 4.550 -0.001 0.000 0.344 587 Y C 0.457 176.229 175.900 -0.213 0.000 0.969 587 Y CA -0.101 57.913 58.100 -0.142 0.000 1.052 587 Y CB 2.497 40.719 38.460 -0.396 0.000 1.215 587 Y HN 0.652 nan 8.280 nan 0.000 0.451 588 S N 1.445 117.112 115.700 -0.056 0.000 2.536 588 S HA 0.764 5.234 4.470 -0.001 0.000 0.298 588 S C 0.050 174.673 174.600 0.038 0.000 1.083 588 S CA -0.501 57.670 58.200 -0.049 0.000 0.995 588 S CB 0.928 64.077 63.200 -0.085 0.000 1.058 588 S HN 0.949 nan 8.310 nan 0.000 0.488 589 G N 2.106 110.900 108.800 -0.009 0.000 2.684 589 G HA2 0.509 4.469 3.960 -0.001 0.000 0.255 589 G HA3 0.509 4.469 3.960 -0.001 0.000 0.255 589 G C -0.967 174.012 174.900 0.131 0.000 1.219 589 G CA -0.432 44.682 45.100 0.024 0.000 0.901 589 G HN 0.730 nan 8.290 nan 0.000 0.548 590 L N -0.429 120.876 121.223 0.137 0.000 2.354 590 L HA 0.471 4.811 4.340 -0.001 0.000 0.269 590 L C 1.359 178.286 176.870 0.095 0.000 1.005 590 L CA -0.930 53.967 54.840 0.095 0.000 0.819 590 L CB 2.683 44.794 42.059 0.086 0.000 1.311 590 L HN 0.572 nan 8.230 nan 0.000 0.423 591 R N 0.053 120.575 120.500 0.036 0.000 2.210 591 R HA 0.081 4.421 4.340 -0.001 0.000 0.203 591 R C -0.464 175.892 176.300 0.092 0.000 1.010 591 R CA 0.472 56.611 56.100 0.065 0.000 1.008 591 R CB 0.280 30.584 30.300 0.007 0.000 0.923 591 R HN 0.515 nan 8.270 nan 0.000 0.469 592 D N 0.038 120.454 120.400 0.027 0.000 2.365 592 D HA 0.001 4.640 4.640 -0.001 0.000 0.235 592 D C 0.661 176.914 176.300 -0.078 0.000 1.368 592 D CA -0.232 53.782 54.000 0.023 0.000 1.001 592 D CB 1.840 42.655 40.800 0.026 0.000 1.364 592 D HN -0.101 nan 8.370 nan 0.000 0.577 593 V N 2.135 121.945 119.914 -0.174 0.000 3.444 593 V HA 0.037 4.157 4.120 -0.001 0.000 0.271 593 V C 0.835 176.641 176.094 -0.479 0.000 1.188 593 V CA 0.923 62.998 62.300 -0.376 0.000 1.168 593 V CB -1.199 30.320 31.823 -0.507 0.000 0.810 593 V HN 0.418 nan 8.190 nan 0.000 0.500 594 Y N 1.355 121.620 120.300 -0.060 0.000 2.458 594 Y HA 0.533 5.083 4.550 -0.001 0.000 0.256 594 Y C 0.936 176.797 175.900 -0.065 0.000 1.159 594 Y CA -0.634 57.449 58.100 -0.027 0.000 1.261 594 Y CB 0.184 38.625 38.460 -0.032 0.000 1.119 594 Y HN 0.468 nan 8.280 nan 0.000 0.524 595 I N -4.537 115.966 120.570 -0.113 0.000 3.067 595 I HA 0.793 4.963 4.170 -0.001 0.000 0.312 595 I C 0.937 176.590 176.117 -0.774 0.000 1.073 595 I CA -1.009 60.084 61.300 -0.346 0.000 1.016 595 I CB 1.770 39.650 38.000 -0.200 0.000 1.227 595 I HN -0.257 nan 8.210 nan 0.000 0.456 596 A N 1.842 124.095 122.820 -0.945 0.000 1.930 596 A HA 0.273 4.592 4.320 -0.001 0.000 0.215 596 A C 1.678 179.009 177.584 -0.422 0.000 1.176 596 A CA 1.176 52.598 52.037 -1.024 0.000 0.632 596 A CB -0.617 17.991 19.000 -0.654 0.000 0.819 596 A HN 0.864 nan 8.150 nan 0.000 0.445 597 R N 1.371 121.689 120.500 -0.304 0.000 2.216 597 R HA 0.493 4.833 4.340 -0.001 0.000 0.332 597 R C -0.537 175.620 176.300 -0.237 0.000 1.056 597 R CA -0.371 55.609 56.100 -0.199 0.000 0.901 597 R CB -0.760 29.450 30.300 -0.150 0.000 1.039 597 R HN 0.583 nan 8.270 nan 0.000 0.456 598 E N 0.831 120.869 120.200 -0.271 0.000 2.384 598 E HA 0.197 4.547 4.350 -0.001 0.000 0.266 598 E C -0.226 176.074 176.600 -0.501 0.000 1.012 598 E CA 0.328 56.459 56.400 -0.449 0.000 0.901 598 E CB 1.423 30.687 29.700 -0.728 0.000 0.967 598 E HN 0.588 nan 8.360 nan 0.000 0.435 599 S N 3.270 118.730 115.700 -0.400 0.000 2.577 599 S HA 0.277 4.746 4.470 -0.001 0.000 0.294 599 S C -1.271 173.204 174.600 -0.208 0.000 1.161 599 S CA -0.706 57.336 58.200 -0.264 0.000 1.143 599 S CB -0.167 62.955 63.200 -0.131 0.000 0.991 599 S HN 0.324 nan 8.310 nan 0.000 0.475 600 Y N 2.976 123.265 120.300 -0.019 0.000 2.442 600 Y HA 0.135 4.685 4.550 -0.001 0.000 0.330 600 Y C 1.579 177.453 175.900 -0.042 0.000 1.129 600 Y CA -0.678 57.407 58.100 -0.026 0.000 1.365 600 Y CB 0.539 38.981 38.460 -0.031 0.000 1.233 600 Y HN 0.672 nan 8.280 nan 0.000 0.529 601 D N -0.159 120.305 120.400 0.107 0.000 2.349 601 D HA -0.071 4.569 4.640 -0.001 0.000 0.215 601 D C 0.366 176.649 176.300 -0.027 0.000 1.016 601 D CA 0.520 54.524 54.000 0.007 0.000 0.870 601 D CB -0.267 40.506 40.800 -0.045 0.000 0.917 601 D HN 0.596 nan 8.370 nan 0.000 0.524 602 D N -0.881 119.510 120.400 -0.015 0.000 2.800 602 D HA -0.159 4.480 4.640 -0.001 0.000 0.232 602 D C -1.260 174.950 176.300 -0.151 0.000 1.137 602 D CA 0.431 54.388 54.000 -0.071 0.000 0.718 602 D CB -1.248 39.526 40.800 -0.043 0.000 1.084 602 D HN 0.166 nan 8.370 nan 0.000 0.432 603 V N 1.225 121.026 119.914 -0.188 0.000 2.569 603 V HA 0.321 4.440 4.120 -0.001 0.000 0.301 603 V C 0.238 176.205 176.094 -0.213 0.000 1.044 603 V CA -0.801 61.318 62.300 -0.302 0.000 0.874 603 V CB 1.862 33.418 31.823 -0.445 0.000 1.002 603 V HN 0.188 nan 8.190 nan 0.000 0.424 604 Q N 4.110 123.814 119.800 -0.160 0.000 2.441 604 Q HA 0.284 4.624 4.340 -0.001 0.000 0.234 604 Q C -0.328 175.583 176.000 -0.148 0.000 1.078 604 Q CA -0.605 55.133 55.803 -0.108 0.000 0.907 604 Q CB 0.675 29.420 28.738 0.012 0.000 1.269 604 Q HN 0.650 nan 8.270 nan 0.000 0.502 605 Q N 1.326 120.952 119.800 -0.290 0.000 2.330 605 Q HA -0.026 4.313 4.340 -0.001 0.000 0.279 605 Q C 1.143 176.910 176.000 -0.390 0.000 1.024 605 Q CA 0.495 55.977 55.803 -0.535 0.000 0.900 605 Q CB 1.395 29.364 28.738 -1.283 0.000 1.221 605 Q HN 0.849 nan 8.270 nan 0.000 0.396 606 S N 1.955 117.494 115.700 -0.269 0.000 2.419 606 S HA -0.175 4.295 4.470 -0.001 0.000 0.233 606 S C 1.495 176.066 174.600 -0.047 0.000 1.016 606 S CA 1.364 59.489 58.200 -0.124 0.000 0.974 606 S CB -0.463 62.674 63.200 -0.104 0.000 0.786 606 S HN 0.621 nan 8.310 nan 0.000 0.492 607 F N 0.282 120.282 119.950 0.084 0.000 2.604 607 F HA 0.285 4.811 4.527 -0.001 0.000 0.298 607 F C 1.668 177.516 175.800 0.080 0.000 1.131 607 F CA -0.638 57.395 58.000 0.054 0.000 1.457 607 F CB -1.161 37.879 39.000 0.066 0.000 1.095 607 F HN 0.205 nan 8.300 nan 0.000 0.574 608 F N 1.279 121.249 119.950 0.033 0.000 2.171 608 F HA -0.054 4.472 4.527 -0.001 0.000 0.300 608 F C 1.589 177.399 175.800 0.018 0.000 1.090 608 F CA 1.446 59.478 58.000 0.055 0.000 1.293 608 F CB -0.294 38.679 39.000 -0.046 0.000 1.013 608 F HN 0.006 nan 8.300 nan 0.000 0.486 609 L N -0.357 120.850 121.223 -0.027 0.000 2.162 609 L HA 0.108 4.448 4.340 -0.001 0.000 0.205 609 L C 2.651 179.449 176.870 -0.120 0.000 1.086 609 L CA 1.337 56.118 54.840 -0.098 0.000 0.778 609 L CB -1.394 40.683 42.059 0.030 0.000 0.928 609 L HN 0.104 nan 8.230 nan 0.000 0.446 610 A N -0.621 122.160 122.820 -0.065 0.000 1.898 610 A HA -0.136 4.184 4.320 -0.001 0.000 0.216 610 A C 2.137 179.582 177.584 -0.232 0.000 1.181 610 A CA 1.745 53.716 52.037 -0.109 0.000 0.620 610 A CB -0.181 18.766 19.000 -0.089 0.000 0.819 610 A HN 0.476 nan 8.150 nan 0.000 0.442 611 E N -2.087 118.012 120.200 -0.168 0.000 2.280 611 E HA 0.006 4.356 4.350 -0.001 0.000 0.197 611 E C 2.051 178.551 176.600 -0.166 0.000 0.913 611 E CA 0.754 57.004 56.400 -0.251 0.000 0.995 611 E CB -0.198 29.505 29.700 0.005 0.000 0.991 611 E HN 0.410 nan 8.360 nan 0.000 0.484 612 T N 2.593 117.125 114.554 -0.037 0.000 2.708 612 T HA -0.096 4.254 4.350 -0.001 0.000 0.266 612 T C 2.061 176.669 174.700 -0.155 0.000 1.037 612 T CA 1.019 63.119 62.100 -0.000 0.000 1.146 612 T CB -0.211 68.705 68.868 0.079 0.000 0.865 612 T HN 0.013 nan 8.240 nan 0.000 0.435 613 L N 0.477 121.456 121.223 -0.407 0.000 2.156 613 L HA 0.024 4.364 4.340 -0.001 0.000 0.208 613 L C 2.698 179.491 176.870 -0.128 0.000 1.095 613 L CA 1.041 55.699 54.840 -0.302 0.000 0.770 613 L CB -0.422 41.382 42.059 -0.426 0.000 0.914 613 L HN 0.205 nan 8.230 nan 0.000 0.439 614 K N -0.160 120.119 120.400 -0.202 0.000 2.025 614 K HA -0.201 4.119 4.320 -0.001 0.000 0.207 614 K C 2.262 178.805 176.600 -0.096 0.000 1.049 614 K CA 1.568 57.744 56.287 -0.184 0.000 0.933 614 K CB -0.131 32.172 32.500 -0.329 0.000 0.714 614 K HN 0.088 nan 8.250 nan 0.000 0.438 615 Y N 1.288 121.543 120.300 -0.076 0.000 2.224 615 Y HA -0.146 4.404 4.550 -0.001 0.000 0.289 615 Y C 2.098 177.996 175.900 -0.004 0.000 1.146 615 Y CA 0.878 58.913 58.100 -0.108 0.000 1.182 615 Y CB -0.470 37.901 38.460 -0.149 0.000 0.983 615 Y HN 0.015 nan 8.280 nan 0.000 0.524 616 L N -1.737 119.613 121.223 0.213 0.000 2.042 616 L HA -0.287 4.053 4.340 -0.001 0.000 0.210 616 L C 2.302 179.369 176.870 0.329 0.000 1.076 616 L CA 1.723 56.728 54.840 0.276 0.000 0.749 616 L CB -0.742 41.477 42.059 0.266 0.000 0.893 616 L HN 0.212 nan 8.230 nan 0.000 0.432 617 Y N 0.456 120.836 120.300 0.133 0.000 2.181 617 Y HA -0.237 4.313 4.550 -0.000 0.000 0.288 617 Y C 2.335 178.303 175.900 0.114 0.000 1.146 617 Y CA 1.487 59.663 58.100 0.128 0.000 1.164 617 Y CB -0.102 38.385 38.460 0.045 0.000 0.982 617 Y HN 0.013 nan 8.280 nan 0.000 0.515 618 L N -0.639 120.683 121.223 0.166 0.000 2.093 618 L HA -0.222 4.118 4.340 -0.001 0.000 0.208 618 L C 2.336 179.201 176.870 -0.008 0.000 1.085 618 L CA 1.242 56.127 54.840 0.076 0.000 0.755 618 L CB -0.524 41.596 42.059 0.101 0.000 0.904 618 L HN 0.248 nan 8.230 nan 0.000 0.435 619 I N -0.940 119.584 120.570 -0.077 0.000 2.286 619 I HA -0.284 3.885 4.170 -0.001 0.000 0.248 619 I C 1.242 176.955 176.117 -0.674 0.000 1.115 619 I CA 1.491 62.567 61.300 -0.374 0.000 1.392 619 I CB -0.048 37.650 38.000 -0.503 0.000 1.065 619 I HN 0.122 nan 8.210 nan 0.000 0.418 620 F N 0.156 120.012 119.950 -0.156 0.000 2.668 620 F HA 0.224 4.751 4.527 -0.001 0.000 0.297 620 F C 0.940 176.608 175.800 -0.220 0.000 1.124 620 F CA -0.116 57.762 58.000 -0.204 0.000 1.353 620 F CB -0.228 38.680 39.000 -0.155 0.000 0.992 620 F HN -0.176 nan 8.300 nan 0.000 0.524 621 S N -0.921 114.725 115.700 -0.090 0.000 2.704 621 S HA 0.340 4.810 4.470 -0.001 0.000 0.305 621 S C -0.403 174.225 174.600 0.046 0.000 1.107 621 S CA -0.901 57.250 58.200 -0.082 0.000 0.993 621 S CB 1.278 64.404 63.200 -0.123 0.000 1.110 621 S HN -0.019 nan 8.310 nan 0.000 0.534 622 D N 1.282 121.714 120.400 0.053 0.000 2.360 622 D HA 0.145 4.785 4.640 -0.001 0.000 0.242 622 D C 0.434 176.812 176.300 0.130 0.000 1.184 622 D CA -0.209 53.854 54.000 0.103 0.000 0.930 622 D CB 0.395 41.232 40.800 0.062 0.000 1.161 622 D HN 0.375 nan 8.370 nan 0.000 0.447 623 D N -0.144 120.347 120.400 0.152 0.000 2.263 623 D HA -0.142 4.498 4.640 -0.001 0.000 0.208 623 D C 1.078 177.454 176.300 0.127 0.000 0.971 623 D CA 0.855 54.947 54.000 0.153 0.000 0.867 623 D CB -0.056 40.830 40.800 0.143 0.000 0.929 623 D HN 0.448 nan 8.370 nan 0.000 0.492 624 D N -0.142 120.318 120.400 0.100 0.000 2.340 624 D HA -0.054 4.586 4.640 -0.001 0.000 0.220 624 D C 0.451 176.806 176.300 0.092 0.000 1.039 624 D CA -0.312 53.743 54.000 0.091 0.000 0.866 624 D CB -0.324 40.512 40.800 0.061 0.000 0.913 624 D HN 0.108 nan 8.370 nan 0.000 0.523 625 L N 1.422 122.701 121.223 0.093 0.000 2.260 625 L HA 0.268 4.608 4.340 -0.001 0.000 0.289 625 L C 0.193 177.115 176.870 0.086 0.000 1.057 625 L CA -0.388 54.500 54.840 0.080 0.000 0.811 625 L CB 0.191 42.298 42.059 0.080 0.000 1.184 625 L HN 0.110 nan 8.230 nan 0.000 0.429 626 L N 6.286 127.517 121.223 0.013 0.000 3.746 626 L HA -0.151 4.189 4.340 -0.001 0.000 0.542 626 L C -2.006 175.002 176.870 0.229 0.000 1.268 626 L CA -0.493 54.294 54.840 -0.089 0.000 0.818 626 L CB -1.406 40.538 42.059 -0.192 0.000 1.472 626 L HN 0.543 nan 8.230 nan 0.000 0.843 627 P HA -0.010 nan 4.420 nan 0.000 0.265 627 P C 1.222 178.743 177.300 0.368 0.000 1.193 627 P CA 0.075 63.366 63.100 0.319 0.000 0.765 627 P CB 0.821 32.700 31.700 0.299 0.000 0.823 628 L N 2.029 123.420 121.223 0.280 0.000 2.265 628 L HA -0.170 4.170 4.340 -0.001 0.000 0.215 628 L C 2.345 179.309 176.870 0.155 0.000 1.117 628 L CA 1.355 56.352 54.840 0.262 0.000 0.782 628 L CB -0.811 41.392 42.059 0.241 0.000 0.914 628 L HN 0.306 nan 8.230 nan 0.000 0.441 629 E N -1.693 118.576 120.200 0.115 0.000 2.338 629 E HA -0.142 4.207 4.350 -0.001 0.000 0.197 629 E C 1.577 178.001 176.600 -0.293 0.000 1.007 629 E CA 0.811 57.163 56.400 -0.080 0.000 0.849 629 E CB -0.343 29.292 29.700 -0.108 0.000 0.774 629 E HN 0.674 nan 8.360 nan 0.000 0.506 630 H N -3.542 115.495 119.070 -0.055 0.000 3.046 630 H HA 0.227 4.782 4.556 -0.001 0.000 0.262 630 H C -0.348 174.663 175.328 -0.529 0.000 1.044 630 H CA -0.021 55.852 56.048 -0.292 0.000 1.209 630 H CB 0.606 30.175 29.762 -0.321 0.000 1.507 630 H HN 0.251 nan 8.280 nan 0.000 0.507 631 W N 1.417 122.705 121.300 -0.020 0.000 2.957 631 W HA 0.462 5.122 4.660 -0.001 0.000 0.336 631 W C -0.956 175.447 176.519 -0.193 0.000 1.087 631 W CA -0.593 56.657 57.345 -0.158 0.000 1.235 631 W CB 1.541 30.835 29.460 -0.277 0.000 1.399 631 W HN -0.205 nan 8.180 nan 0.000 0.480 632 I N 3.467 124.055 120.570 0.030 0.000 2.389 632 I HA 0.309 4.478 4.170 -0.001 0.000 0.288 632 I C -0.558 175.497 176.117 -0.104 0.000 0.999 632 I CA -1.752 59.566 61.300 0.030 0.000 1.129 632 I CB 0.308 38.333 38.000 0.042 0.000 1.288 632 I HN 0.236 nan 8.210 nan 0.000 0.444 633 F N 5.867 125.871 119.950 0.089 0.000 2.467 633 F HA 0.167 4.693 4.527 -0.001 0.000 0.362 633 F C 1.375 177.130 175.800 -0.075 0.000 1.090 633 F CA -0.177 57.825 58.000 0.003 0.000 1.202 633 F CB 0.393 39.503 39.000 0.183 0.000 1.113 633 F HN 0.543 nan 8.300 nan 0.000 0.541 634 N N 0.963 119.563 118.700 -0.167 0.000 2.263 634 N HA -0.070 4.670 4.740 -0.001 0.000 0.239 634 N C 0.912 176.577 175.510 0.259 0.000 1.317 634 N CA 0.171 53.228 53.050 0.013 0.000 0.909 634 N CB 0.392 38.794 38.487 -0.140 0.000 1.171 634 N HN 0.606 nan 8.380 nan 0.000 0.492 635 T N -1.322 113.462 114.554 0.383 0.000 3.118 635 T HA -0.061 4.289 4.350 -0.001 0.000 0.260 635 T C 0.620 175.378 174.700 0.096 0.000 1.139 635 T CA 0.810 63.038 62.100 0.215 0.000 1.085 635 T CB -0.235 68.667 68.868 0.058 0.000 0.934 635 T HN 0.627 nan 8.240 nan 0.000 0.518 636 E N 0.097 120.324 120.200 0.045 0.000 2.585 636 E HA 0.576 4.926 4.350 -0.001 0.000 0.206 636 E C 0.723 177.089 176.600 -0.390 0.000 1.007 636 E CA 0.410 56.740 56.400 -0.117 0.000 1.028 636 E CB -0.321 29.330 29.700 -0.083 0.000 1.087 636 E HN 0.311 nan 8.360 nan 0.000 0.455 637 A N 0.848 123.579 122.820 -0.150 0.000 2.860 637 A HA -0.209 4.110 4.320 -0.001 0.000 0.267 637 A C -0.564 176.958 177.584 -0.104 0.000 1.421 637 A CA 0.998 52.941 52.037 -0.156 0.000 0.831 637 A CB -2.327 16.280 19.000 -0.654 0.000 1.041 637 A HN 0.462 nan 8.150 nan 0.000 0.623 638 H N 0.101 119.187 119.070 0.026 0.000 2.640 638 H HA 0.402 4.957 4.556 -0.001 0.000 0.297 638 H C -2.537 172.573 175.328 -0.364 0.000 1.073 638 H CA -1.653 54.336 56.048 -0.098 0.000 1.305 638 H CB 0.712 30.458 29.762 -0.027 0.000 1.404 638 H HN 0.417 nan 8.280 nan 0.000 0.459 639 P HA 0.105 nan 4.420 nan 0.000 0.276 639 P C -0.746 176.649 177.300 0.157 0.000 1.235 639 P CA -0.127 62.722 63.100 -0.418 0.000 0.772 639 P CB 0.532 31.790 31.700 -0.737 0.000 0.871 640 F N 4.495 124.534 119.950 0.148 0.000 2.508 640 F HA 0.475 5.002 4.527 -0.000 0.000 0.325 640 F C -1.826 173.918 175.800 -0.093 0.000 1.090 640 F CA -3.323 54.691 58.000 0.024 0.000 0.945 640 F CB 1.219 40.168 39.000 -0.085 0.000 1.156 640 F HN 0.182 nan 8.300 nan 0.000 0.463 641 P HA 0.174 nan 4.420 nan 0.000 0.276 641 P C -0.205 176.934 177.300 -0.269 0.000 1.244 641 P CA -0.284 62.430 63.100 -0.644 0.000 0.801 641 P CB 1.039 32.175 31.700 -0.940 0.000 1.006 642 I N 1.616 121.999 120.570 -0.312 0.000 2.710 642 I HA 0.037 4.207 4.170 -0.001 0.000 0.286 642 I C 0.906 176.888 176.117 -0.224 0.000 1.181 642 I CA 0.094 61.263 61.300 -0.218 0.000 1.430 642 I CB -0.758 37.090 38.000 -0.254 0.000 1.367 642 I HN 0.240 nan 8.210 nan 0.000 0.577 643 L N 7.180 128.272 121.223 -0.218 0.000 2.264 643 L HA 0.397 4.737 4.340 -0.001 0.000 0.289 643 L C 0.709 177.446 176.870 -0.221 0.000 1.044 643 L CA -0.427 54.241 54.840 -0.287 0.000 0.807 643 L CB 0.884 42.721 42.059 -0.370 0.000 1.192 643 L HN 0.597 nan 8.230 nan 0.000 0.425 644 R N 0.000 120.375 120.500 -0.208 0.000 2.786 644 R HA 0.000 4.340 4.340 -0.001 0.000 0.208 644 R CA 0.000 56.012 56.100 -0.146 0.000 0.921 644 R CB 0.000 30.224 30.300 -0.127 0.000 0.687 644 R HN 0.000 nan 8.270 nan 0.000 0.535