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 3c2h_1_A DATA FIRST_RESID 180 DATA SEQUENCE MNITQAAEQA IRLWFNTPDP MQRLHMAKTI RTWIRQDKFA QVDQANMPNC DATA SEQUENCE VQQILNIIYD GLKPQPVQLP ISYYAQLWYN LLDILRRFTF LPIISPYIHQ DATA SEQUENCE VVQMFCPREN GPQDFRELIC NLISLNWQKD PHMKHCANQV FQIFNCIIMG DATA SEQUENCE VKNEKLRTEF AQHLKFEKLV GTLSEYFNPQ VHPGMINPAI FIIFRFIISK DATA SEQUENCE DTRLKDYFIW NNNPHDQPPP PTGLIIKLNA VMIGSYRLIA GQNPETLPQN DATA SEQUENCE PELAHLIQVI IRTFDLLGLL LHDSDAIDGF VRSDGVGAIT TVVQYPNNDL DATA SEQUENCE IRAGCKLLLQ VSDAKALAKT PLENILPFLL RLIEIHPDDE VIYSGTGFLS DATA SEQUENCE NVVAHKQHVK DIAIRSNAIF LLHTIISKYP RLDELTDAPK RNRVCEIICN DATA SEQUENCE CLRTLNNFLM MWIPTPNXXT KTAGPNEKQQ VCKFIEIDIL KKLMSCLSCE DATA SEQUENCE GMDTPGLLEL RSTILRSFIL LLRTPFVPKD GVLNVIDENR KENLIGHICA DATA SEQUENCE AYSWVFRQPN NTRTQSTKQQ LVERTISLLL VLMEQCGAEK EVAQYSYSID DATA SEQUENCE CPLNLLNGNQ VKPTFIHNVL VVCDKILEHC PTRADIWTID RPMLEGLTNH DATA SEQUENCE RNSDIAKAAN SLLSRFPEN 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 180 M HA 0.000 nan 4.480 nan 0.000 0.227 180 M C 0.000 176.294 176.300 -0.010 0.000 1.140 180 M CA 0.000 55.288 55.300 -0.019 0.000 0.988 180 M CB 0.000 32.583 32.600 -0.029 0.000 1.302 181 N N 2.940 121.633 118.700 -0.013 0.000 2.476 181 N HA 0.423 5.163 4.740 -0.001 0.000 0.275 181 N C 0.882 176.387 175.510 -0.007 0.000 1.190 181 N CA -0.506 52.545 53.050 0.001 0.000 0.977 181 N CB 1.125 39.617 38.487 0.009 0.000 1.200 181 N HN 0.713 nan 8.380 nan 0.000 0.515 182 I N -0.378 120.209 120.570 0.029 0.000 2.203 182 I HA -0.399 3.771 4.170 -0.001 0.000 0.237 182 I C 1.965 178.053 176.117 -0.048 0.000 0.993 182 I CA 2.294 63.628 61.300 0.057 0.000 1.277 182 I CB -1.815 36.279 38.000 0.156 0.000 0.984 182 I HN 0.552 nan 8.210 nan 0.000 0.402 183 T N -0.254 114.290 114.554 -0.017 0.000 2.684 183 T HA -0.235 4.115 4.350 -0.001 0.000 0.267 183 T C 2.241 176.729 174.700 -0.354 0.000 1.036 183 T CA 2.563 64.543 62.100 -0.200 0.000 1.148 183 T CB -0.829 68.082 68.868 0.072 0.000 0.863 183 T HN 0.728 nan 8.240 nan 0.000 0.436 184 Q N 0.748 120.441 119.800 -0.179 0.000 2.119 184 Q HA 0.240 4.580 4.340 -0.001 0.000 0.201 184 Q C 2.563 178.455 176.000 -0.179 0.000 0.972 184 Q CA 1.711 57.419 55.803 -0.159 0.000 0.847 184 Q CB -1.220 27.468 28.738 -0.084 0.000 0.903 184 Q HN 0.689 nan 8.270 nan 0.000 0.433 185 A N 0.927 123.652 122.820 -0.158 0.000 1.902 185 A HA 0.193 4.513 4.320 -0.001 0.000 0.217 185 A C 2.718 180.187 177.584 -0.192 0.000 1.181 185 A CA 2.276 54.240 52.037 -0.121 0.000 0.623 185 A CB -0.832 18.137 19.000 -0.051 0.000 0.818 185 A HN 1.101 nan 8.150 nan 0.000 0.443 186 A N -0.091 122.494 122.820 -0.392 0.000 1.873 186 A HA -0.130 4.189 4.320 -0.001 0.000 0.215 186 A C 1.972 179.262 177.584 -0.491 0.000 1.186 186 A CA 1.974 53.663 52.037 -0.579 0.000 0.616 186 A CB -0.601 17.555 19.000 -1.406 0.000 0.823 186 A HN 0.644 nan 8.150 nan 0.000 0.442 187 E N -0.443 119.463 120.200 -0.491 0.000 2.070 187 E HA -0.320 4.029 4.350 -0.001 0.000 0.197 187 E C 2.111 178.612 176.600 -0.166 0.000 1.004 187 E CA 2.052 58.269 56.400 -0.305 0.000 0.805 187 E CB -0.253 29.306 29.700 -0.235 0.000 0.744 187 E HN 0.590 nan 8.360 nan 0.000 0.451 188 Q N -0.169 119.549 119.800 -0.137 0.000 2.119 188 Q HA 0.004 4.343 4.340 -0.001 0.000 0.201 188 Q C 1.960 177.939 176.000 -0.035 0.000 0.972 188 Q CA 1.806 57.566 55.803 -0.072 0.000 0.847 188 Q CB -0.490 28.208 28.738 -0.067 0.000 0.903 188 Q HN 0.403 nan 8.270 nan 0.000 0.433 189 A N 0.207 123.002 122.820 -0.042 0.000 1.883 189 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 189 A C 2.071 179.710 177.584 0.092 0.000 1.186 189 A CA 1.634 53.694 52.037 0.038 0.000 0.624 189 A CB -0.814 18.203 19.000 0.029 0.000 0.822 189 A HN 0.460 nan 8.150 nan 0.000 0.444 190 I N -0.414 120.159 120.570 0.006 0.000 2.179 190 I HA -0.298 3.872 4.170 -0.001 0.000 0.242 190 I C 3.236 179.422 176.117 0.115 0.000 1.088 190 I CA 1.687 63.010 61.300 0.038 0.000 1.357 190 I CB -0.534 37.449 38.000 -0.029 0.000 1.051 190 I HN 0.445 nan 8.210 nan 0.000 0.409 191 R N 0.916 121.453 120.500 0.061 0.000 2.073 191 R HA -0.050 4.290 4.340 -0.001 0.000 0.234 191 R C 2.278 178.644 176.300 0.110 0.000 1.134 191 R CA 2.017 58.163 56.100 0.075 0.000 0.952 191 R CB -2.038 28.275 30.300 0.021 0.000 0.850 191 R HN 0.428 nan 8.270 nan 0.000 0.433 192 L N -1.448 119.826 121.223 0.084 0.000 2.240 192 L HA 0.160 4.499 4.340 -0.001 0.000 0.211 192 L C 2.458 179.372 176.870 0.073 0.000 1.106 192 L CA 1.663 56.538 54.840 0.057 0.000 0.793 192 L CB -1.768 40.294 42.059 0.004 0.000 0.927 192 L HN 0.768 nan 8.230 nan 0.000 0.446 193 W N 0.303 121.564 121.300 -0.066 0.000 2.290 193 W HA -0.299 4.360 4.660 -0.001 0.000 0.323 193 W C 1.892 178.276 176.519 -0.226 0.000 1.260 193 W CA 2.478 59.705 57.345 -0.197 0.000 1.266 193 W CB -0.393 28.855 29.460 -0.354 0.000 1.149 193 W HN 0.436 nan 8.180 nan 0.000 0.482 194 F N 1.257 121.328 119.950 0.202 0.000 2.811 194 F HA -0.046 4.481 4.527 -0.000 0.000 0.301 194 F C 1.827 177.628 175.800 0.002 0.000 1.151 194 F CA 1.222 59.294 58.000 0.120 0.000 1.412 194 F CB -0.524 38.574 39.000 0.163 0.000 1.113 194 F HN 0.008 nan 8.300 nan 0.000 0.579 195 N N -1.568 117.189 118.700 0.096 0.000 2.210 195 N HA 0.033 4.773 4.740 -0.001 0.000 0.203 195 N C -0.013 175.461 175.510 -0.061 0.000 1.175 195 N CA 0.233 53.298 53.050 0.025 0.000 0.894 195 N CB -0.142 38.367 38.487 0.035 0.000 1.041 195 N HN -0.024 nan 8.380 nan 0.000 0.506 196 T N 3.505 117.972 114.554 -0.144 0.000 2.891 196 T HA 0.247 4.597 4.350 -0.001 0.000 0.315 196 T C -1.934 172.594 174.700 -0.286 0.000 1.054 196 T CA -1.070 60.907 62.100 -0.205 0.000 0.958 196 T CB 1.779 70.508 68.868 -0.232 0.000 1.008 196 T HN 0.099 nan 8.240 nan 0.000 0.521 197 P HA 0.103 nan 4.420 nan 0.000 0.249 197 P C -0.003 177.185 177.300 -0.187 0.000 1.229 197 P CA -0.035 62.953 63.100 -0.187 0.000 0.788 197 P CB 0.064 31.700 31.700 -0.106 0.000 1.072 198 D N 1.353 121.634 120.400 -0.198 0.000 2.346 198 D HA 0.060 4.700 4.640 -0.001 0.000 0.260 198 D C -1.329 174.851 176.300 -0.200 0.000 1.252 198 D CA -1.986 51.907 54.000 -0.178 0.000 0.895 198 D CB 0.808 41.516 40.800 -0.154 0.000 1.097 198 D HN -0.073 nan 8.370 nan 0.000 0.489 199 P HA -0.219 nan 4.420 nan 0.000 0.214 199 P C 1.315 178.505 177.300 -0.185 0.000 1.169 199 P CA 1.124 64.072 63.100 -0.253 0.000 0.908 199 P CB 0.045 31.446 31.700 -0.498 0.000 0.791 200 M N -1.117 118.355 119.600 -0.213 0.000 2.374 200 M HA -0.110 4.370 4.480 -0.001 0.000 0.264 200 M C 2.347 178.652 176.300 0.007 0.000 1.067 200 M CA 2.008 57.257 55.300 -0.086 0.000 1.103 200 M CB -1.554 30.981 32.600 -0.109 0.000 1.402 200 M HN -0.117 nan 8.290 nan 0.000 0.444 201 Q N -0.146 119.620 119.800 -0.057 0.000 2.137 201 Q HA -0.092 4.248 4.340 -0.001 0.000 0.198 201 Q C 2.167 178.154 176.000 -0.021 0.000 0.960 201 Q CA 1.721 57.489 55.803 -0.059 0.000 0.847 201 Q CB -0.847 27.812 28.738 -0.132 0.000 0.915 201 Q HN 0.651 nan 8.270 nan 0.000 0.448 202 R N -0.400 120.039 120.500 -0.102 0.000 2.091 202 R HA -0.077 4.263 4.340 -0.001 0.000 0.238 202 R C 2.382 178.814 176.300 0.220 0.000 1.136 202 R CA 1.508 57.522 56.100 -0.144 0.000 0.959 202 R CB -0.476 29.601 30.300 -0.371 0.000 0.856 202 R HN 0.499 nan 8.270 nan 0.000 0.437 203 L N -0.001 121.362 121.223 0.233 0.000 2.017 203 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 203 L C 2.176 179.166 176.870 0.200 0.000 1.073 203 L CA 2.031 57.004 54.840 0.222 0.000 0.745 203 L CB -0.807 41.402 42.059 0.251 0.000 0.894 203 L HN 0.183 nan 8.230 nan 0.000 0.432 204 H N -1.179 117.945 119.070 0.090 0.000 2.319 204 H HA -0.268 4.287 4.556 -0.001 0.000 0.297 204 H C 2.287 177.666 175.328 0.085 0.000 1.097 204 H CA 2.493 58.579 56.048 0.064 0.000 1.285 204 H CB -0.042 29.738 29.762 0.030 0.000 1.368 204 H HN 0.387 nan 8.280 nan 0.000 0.495 205 M N -0.179 119.618 119.600 0.328 0.000 2.080 205 M HA -0.197 4.282 4.480 -0.001 0.000 0.260 205 M C 2.523 178.985 176.300 0.269 0.000 1.068 205 M CA 1.841 57.316 55.300 0.291 0.000 1.109 205 M CB -0.129 32.664 32.600 0.323 0.000 1.342 205 M HN 0.473 nan 8.290 nan 0.000 0.405 206 A N 0.016 123.021 122.820 0.308 0.000 1.877 206 A HA -0.218 4.102 4.320 -0.001 0.000 0.216 206 A C 2.052 179.698 177.584 0.103 0.000 1.186 206 A CA 1.994 54.136 52.037 0.175 0.000 0.620 206 A CB -0.695 18.422 19.000 0.195 0.000 0.822 206 A HN 0.523 nan 8.150 nan 0.000 0.443 207 K N -0.699 119.760 120.400 0.098 0.000 2.113 207 K HA -0.143 4.177 4.320 -0.001 0.000 0.208 207 K C 2.070 178.709 176.600 0.064 0.000 1.047 207 K CA 1.880 58.200 56.287 0.055 0.000 0.928 207 K CB -0.407 32.090 32.500 -0.005 0.000 0.716 207 K HN 0.662 nan 8.250 nan 0.000 0.446 208 T N 1.251 115.858 114.554 0.088 0.000 2.770 208 T HA -0.038 4.312 4.350 -0.001 0.000 0.263 208 T C 1.997 176.770 174.700 0.122 0.000 1.039 208 T CA 0.920 63.078 62.100 0.096 0.000 1.142 208 T CB -0.266 68.666 68.868 0.107 0.000 0.868 208 T HN 0.110 nan 8.240 nan 0.000 0.435 209 I N 1.208 121.845 120.570 0.111 0.000 2.264 209 I HA -0.188 3.982 4.170 -0.001 0.000 0.248 209 I C 2.889 179.138 176.117 0.220 0.000 1.111 209 I CA 1.282 62.685 61.300 0.172 0.000 1.382 209 I CB -0.416 37.634 38.000 0.084 0.000 1.060 209 I HN 0.153 nan 8.210 nan 0.000 0.418 210 R N 1.146 121.716 120.500 0.116 0.000 2.070 210 R HA -0.186 4.154 4.340 -0.001 0.000 0.232 210 R C 2.466 178.829 176.300 0.105 0.000 1.138 210 R CA 2.553 58.700 56.100 0.077 0.000 0.936 210 R CB -0.530 29.795 30.300 0.041 0.000 0.839 210 R HN 0.444 nan 8.270 nan 0.000 0.429 211 T N -1.653 112.970 114.554 0.115 0.000 2.759 211 T HA -0.214 4.136 4.350 -0.001 0.000 0.269 211 T C 1.548 176.341 174.700 0.155 0.000 1.042 211 T CA 1.164 63.331 62.100 0.112 0.000 1.140 211 T CB -0.695 68.228 68.868 0.093 0.000 0.864 211 T HN 0.559 nan 8.240 nan 0.000 0.455 212 W N 2.109 123.403 121.300 -0.010 0.000 2.317 212 W HA -0.062 4.598 4.660 -0.001 0.000 0.318 212 W C 1.850 178.348 176.519 -0.034 0.000 1.227 212 W CA 0.636 57.959 57.345 -0.037 0.000 1.269 212 W CB -0.771 28.647 29.460 -0.070 0.000 1.155 212 W HN 0.248 nan 8.180 nan 0.000 0.484 213 I N 0.581 121.099 120.570 -0.087 0.000 2.179 213 I HA -0.353 3.817 4.170 -0.001 0.000 0.242 213 I C 2.746 178.833 176.117 -0.051 0.000 1.088 213 I CA 1.487 62.695 61.300 -0.154 0.000 1.357 213 I CB -0.712 37.341 38.000 0.088 0.000 1.051 213 I HN -0.099 nan 8.210 nan 0.000 0.409 214 R N 0.340 120.849 120.500 0.015 0.000 2.119 214 R HA -0.265 4.074 4.340 -0.001 0.000 0.246 214 R C 2.143 178.457 176.300 0.024 0.000 1.146 214 R CA 1.874 57.998 56.100 0.039 0.000 0.962 214 R CB -0.706 29.627 30.300 0.056 0.000 0.863 214 R HN 0.582 nan 8.270 nan 0.000 0.442 215 Q N 0.035 119.836 119.800 0.002 0.000 2.159 215 Q HA -0.088 4.251 4.340 -0.001 0.000 0.194 215 Q C 1.469 177.444 176.000 -0.042 0.000 0.968 215 Q CA 0.825 56.628 55.803 -0.000 0.000 0.837 215 Q CB 0.061 28.815 28.738 0.026 0.000 0.920 215 Q HN 0.058 nan 8.270 nan 0.000 0.485 216 D N 0.907 121.229 120.400 -0.131 0.000 2.144 216 D HA -0.114 4.526 4.640 -0.001 0.000 0.199 216 D C -0.019 176.188 176.300 -0.156 0.000 0.984 216 D CA 0.888 54.767 54.000 -0.201 0.000 0.834 216 D CB 0.124 40.626 40.800 -0.497 0.000 0.955 216 D HN 0.223 nan 8.370 nan 0.000 0.465 217 K N -1.434 118.893 120.400 -0.122 0.000 3.071 217 K HA -0.271 4.049 4.320 -0.001 0.000 0.262 217 K C 0.079 176.717 176.600 0.063 0.000 0.977 217 K CA 0.385 56.675 56.287 0.005 0.000 0.721 217 K CB -1.747 30.766 32.500 0.022 0.000 1.293 217 K HN 0.300 nan 8.250 nan 0.000 0.475 218 F N -3.585 116.154 119.950 -0.352 0.000 2.841 218 F HA -0.392 4.135 4.527 -0.001 0.000 0.384 218 F C 1.755 177.439 175.800 -0.193 0.000 0.622 218 F CA 1.044 58.837 58.000 -0.346 0.000 1.044 218 F CB -1.486 37.340 39.000 -0.289 0.000 1.571 218 F HN 0.444 nan 8.300 nan 0.000 0.296 219 A N -0.666 122.148 122.820 -0.010 0.000 2.272 219 A HA -0.177 4.142 4.320 -0.001 0.000 0.213 219 A C 1.987 179.578 177.584 0.013 0.000 1.183 219 A CA 1.701 53.745 52.037 0.013 0.000 0.719 219 A CB -0.259 18.746 19.000 0.008 0.000 0.771 219 A HN 0.514 nan 8.150 nan 0.000 0.484 220 Q N -0.779 119.020 119.800 -0.002 0.000 2.373 220 Q HA 0.145 4.485 4.340 -0.001 0.000 0.210 220 Q C 0.484 176.517 176.000 0.056 0.000 0.913 220 Q CA 0.318 56.143 55.803 0.036 0.000 0.911 220 Q CB -0.220 28.559 28.738 0.069 0.000 1.040 220 Q HN 0.410 nan 8.270 nan 0.000 0.521 221 V N 2.870 122.817 119.914 0.056 0.000 2.637 221 V HA 0.003 4.122 4.120 -0.001 0.000 0.296 221 V C 0.542 176.672 176.094 0.060 0.000 1.046 221 V CA -0.525 61.821 62.300 0.077 0.000 1.066 221 V CB 0.826 32.709 31.823 0.100 0.000 0.968 221 V HN 0.141 nan 8.190 nan 0.000 0.483 222 D N 3.078 123.508 120.400 0.050 0.000 2.455 222 D HA -0.023 4.617 4.640 -0.001 0.000 0.241 222 D C 1.002 177.324 176.300 0.037 0.000 1.138 222 D CA 0.345 54.369 54.000 0.040 0.000 0.877 222 D CB 1.094 41.914 40.800 0.033 0.000 1.187 222 D HN 0.720 nan 8.370 nan 0.000 0.451 223 Q N 3.051 122.878 119.800 0.045 0.000 2.077 223 Q HA -0.241 4.099 4.340 -0.001 0.000 0.206 223 Q C 1.511 177.549 176.000 0.063 0.000 0.989 223 Q CA 1.880 57.720 55.803 0.062 0.000 0.853 223 Q CB -0.050 28.729 28.738 0.069 0.000 0.907 223 Q HN 0.618 nan 8.270 nan 0.000 0.418 224 A N 0.139 122.989 122.820 0.050 0.000 2.168 224 A HA -0.065 4.254 4.320 -0.001 0.000 0.215 224 A C 1.371 178.970 177.584 0.025 0.000 1.152 224 A CA 0.869 52.935 52.037 0.048 0.000 0.716 224 A CB -0.108 18.916 19.000 0.040 0.000 0.794 224 A HN 0.355 nan 8.150 nan 0.000 0.465 225 N N -0.821 117.884 118.700 0.008 0.000 2.373 225 N HA 0.057 4.796 4.740 -0.001 0.000 0.181 225 N C 1.472 176.948 175.510 -0.057 0.000 1.082 225 N CA 0.240 53.286 53.050 -0.007 0.000 0.885 225 N CB -0.153 38.342 38.487 0.013 0.000 0.977 225 N HN 0.259 nan 8.380 nan 0.000 0.462 226 M N 0.842 120.367 119.600 -0.125 0.000 2.089 226 M HA -0.135 4.344 4.480 -0.001 0.000 0.257 226 M C -0.709 175.277 176.300 -0.524 0.000 1.071 226 M CA 1.828 56.907 55.300 -0.368 0.000 1.096 226 M CB -2.119 30.100 32.600 -0.635 0.000 1.330 226 M HN -0.021 nan 8.290 nan 0.000 0.403 227 P HA -0.128 nan 4.420 nan 0.000 0.215 227 P C 1.222 178.439 177.300 -0.138 0.000 1.153 227 P CA 1.446 64.423 63.100 -0.206 0.000 0.853 227 P CB -0.164 31.544 31.700 0.014 0.000 0.788 228 N N -1.450 117.202 118.700 -0.080 0.000 2.216 228 N HA -0.131 4.609 4.740 -0.001 0.000 0.183 228 N C 1.769 177.272 175.510 -0.010 0.000 1.017 228 N CA 0.854 53.884 53.050 -0.033 0.000 0.861 228 N CB -0.965 37.515 38.487 -0.011 0.000 0.986 228 N HN 0.076 nan 8.380 nan 0.000 0.428 229 C N -0.921 118.375 119.300 -0.006 0.000 2.446 229 C HA 0.048 4.507 4.460 -0.001 0.000 0.277 229 C C 2.523 177.599 174.990 0.143 0.000 1.275 229 C CA 0.594 59.669 59.018 0.095 0.000 1.727 229 C CB -1.102 26.730 27.740 0.154 0.000 2.010 229 C HN 0.278 nan 8.230 nan 0.000 0.486 230 V N 0.756 120.656 119.914 -0.024 0.000 2.295 230 V HA -0.202 3.918 4.120 -0.001 0.000 0.246 230 V C 2.659 178.765 176.094 0.019 0.000 1.049 230 V CA 2.375 64.615 62.300 -0.099 0.000 1.024 230 V CB -0.960 30.601 31.823 -0.436 0.000 0.648 230 V HN 0.568 nan 8.190 nan 0.000 0.447 231 Q N -0.196 119.584 119.800 -0.033 0.000 2.170 231 Q HA -0.199 4.140 4.340 -0.001 0.000 0.203 231 Q C 2.198 178.216 176.000 0.031 0.000 0.976 231 Q CA 1.696 57.488 55.803 -0.018 0.000 0.858 231 Q CB -0.298 28.417 28.738 -0.038 0.000 0.907 231 Q HN 0.691 nan 8.270 nan 0.000 0.433 232 Q N -0.688 119.149 119.800 0.063 0.000 2.016 232 Q HA -0.124 4.216 4.340 -0.001 0.000 0.200 232 Q C 1.918 177.975 176.000 0.095 0.000 0.978 232 Q CA 1.403 57.263 55.803 0.095 0.000 0.833 232 Q CB -0.103 28.695 28.738 0.100 0.000 0.895 232 Q HN 0.411 nan 8.270 nan 0.000 0.427 233 I N 0.883 121.532 120.570 0.132 0.000 2.163 233 I HA -0.296 3.874 4.170 -0.001 0.000 0.243 233 I C 2.343 178.463 176.117 0.006 0.000 1.085 233 I CA 1.491 62.854 61.300 0.105 0.000 1.347 233 I CB -1.103 37.106 38.000 0.347 0.000 1.044 233 I HN 0.293 nan 8.210 nan 0.000 0.408 234 L N 0.633 121.896 121.223 0.067 0.000 2.127 234 L HA -0.225 4.115 4.340 -0.001 0.000 0.211 234 L C 2.222 179.080 176.870 -0.020 0.000 1.089 234 L CA 1.259 56.084 54.840 -0.025 0.000 0.757 234 L CB -0.696 41.327 42.059 -0.060 0.000 0.899 234 L HN 0.314 nan 8.230 nan 0.000 0.434 235 N N 0.049 118.775 118.700 0.044 0.000 2.270 235 N HA -0.063 4.677 4.740 -0.001 0.000 0.181 235 N C 1.841 177.443 175.510 0.153 0.000 1.016 235 N CA 1.038 54.179 53.050 0.151 0.000 0.870 235 N CB -0.101 38.492 38.487 0.177 0.000 0.979 235 N HN 0.311 nan 8.380 nan 0.000 0.431 236 I N 0.632 121.136 120.570 -0.111 0.000 2.202 236 I HA -0.183 3.986 4.170 -0.001 0.000 0.242 236 I C 1.894 177.744 176.117 -0.445 0.000 1.091 236 I CA 0.726 61.628 61.300 -0.663 0.000 1.368 236 I CB -0.170 37.212 38.000 -1.030 0.000 1.058 236 I HN 0.015 nan 8.210 nan 0.000 0.410 237 I N -0.016 120.406 120.570 -0.247 0.000 2.087 237 I HA -0.396 3.774 4.170 -0.001 0.000 0.240 237 I C 2.665 178.842 176.117 0.100 0.000 1.054 237 I CA 1.773 63.014 61.300 -0.099 0.000 1.311 237 I CB -0.664 37.280 38.000 -0.092 0.000 1.024 237 I HN 0.267 nan 8.210 nan 0.000 0.402 238 Y N 1.776 122.088 120.300 0.021 0.000 2.128 238 Y HA -0.337 4.212 4.550 -0.001 0.000 0.284 238 Y C 2.179 178.152 175.900 0.122 0.000 1.154 238 Y CA 2.042 60.225 58.100 0.139 0.000 1.149 238 Y CB -0.944 37.568 38.460 0.086 0.000 0.976 238 Y HN 0.347 nan 8.280 nan 0.000 0.505 239 D N -0.855 119.624 120.400 0.132 0.000 2.144 239 D HA -0.093 4.547 4.640 -0.001 0.000 0.200 239 D C 2.432 178.907 176.300 0.292 0.000 0.978 239 D CA 1.581 55.673 54.000 0.153 0.000 0.833 239 D CB -0.683 40.292 40.800 0.292 0.000 0.961 239 D HN 0.426 nan 8.370 nan 0.000 0.470 240 G N 0.077 109.064 108.800 0.311 0.000 2.432 240 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.219 240 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.219 240 G C 1.566 176.742 174.900 0.460 0.000 1.135 240 G CA 0.489 45.869 45.100 0.467 0.000 0.767 240 G HN 0.353 nan 8.290 nan 0.000 0.550 241 L N -0.490 120.844 121.223 0.184 0.000 2.418 241 L HA 0.178 4.517 4.340 -0.001 0.000 0.218 241 L C 1.155 178.010 176.870 -0.025 0.000 1.125 241 L CA 0.041 54.766 54.840 -0.193 0.000 0.835 241 L CB -0.065 41.733 42.059 -0.435 0.000 0.953 241 L HN 0.030 nan 8.230 nan 0.000 0.454 242 K N 1.506 122.002 120.400 0.161 0.000 2.355 242 K HA 0.099 4.419 4.320 -0.001 0.000 0.270 242 K C -2.113 174.621 176.600 0.223 0.000 1.003 242 K CA -1.516 54.864 56.287 0.155 0.000 0.957 242 K CB 0.249 32.828 32.500 0.131 0.000 0.939 242 K HN -0.154 nan 8.250 nan 0.000 0.482 243 P HA -0.013 nan 4.420 nan 0.000 0.271 243 P C -1.034 176.385 177.300 0.199 0.000 1.233 243 P CA 0.049 63.236 63.100 0.145 0.000 0.764 243 P CB 0.667 32.424 31.700 0.096 0.000 0.825 244 Q N 4.649 124.630 119.800 0.303 0.000 2.340 244 Q HA 0.105 4.445 4.340 -0.001 0.000 0.249 244 Q C -0.891 175.212 176.000 0.173 0.000 0.957 244 Q CA -1.448 54.498 55.803 0.237 0.000 0.882 244 Q CB 0.354 29.251 28.738 0.265 0.000 1.235 244 Q HN 0.424 nan 8.270 nan 0.000 0.439 245 P HA -0.113 nan 4.420 nan 0.000 0.217 245 P C 0.474 177.813 177.300 0.065 0.000 1.150 245 P CA 0.913 64.058 63.100 0.075 0.000 0.832 245 P CB -0.165 31.562 31.700 0.045 0.000 0.787 246 V N -1.789 118.154 119.914 0.047 0.000 2.924 246 V HA 0.211 4.331 4.120 -0.001 0.000 0.305 246 V C 0.451 176.573 176.094 0.047 0.000 1.073 246 V CA -0.878 61.434 62.300 0.019 0.000 1.098 246 V CB -0.428 31.374 31.823 -0.034 0.000 1.000 246 V HN -0.102 nan 8.190 nan 0.000 0.484 247 Q N 2.483 122.299 119.800 0.027 0.000 2.296 247 Q HA 0.552 4.892 4.340 -0.001 0.000 0.263 247 Q C -1.015 174.980 176.000 -0.007 0.000 1.026 247 Q CA 0.433 56.261 55.803 0.043 0.000 0.912 247 Q CB 0.473 29.230 28.738 0.031 0.000 1.198 247 Q HN 0.827 nan 8.270 nan 0.000 0.407 248 L N 5.867 127.098 121.223 0.014 0.000 2.354 248 L HA 0.677 5.016 4.340 -0.001 0.000 0.264 248 L C -2.066 174.752 176.870 -0.087 0.000 1.008 248 L CA -2.293 52.460 54.840 -0.144 0.000 0.819 248 L CB 2.191 44.013 42.059 -0.395 0.000 1.339 248 L HN 0.692 nan 8.230 nan 0.000 0.420 249 P HA 0.234 nan 4.420 nan 0.000 0.280 249 P C 0.935 178.197 177.300 -0.063 0.000 1.244 249 P CA -0.289 62.773 63.100 -0.063 0.000 0.784 249 P CB 1.256 32.904 31.700 -0.086 0.000 0.913 250 I N 1.380 121.987 120.570 0.061 0.000 2.229 250 I HA -0.358 3.811 4.170 -0.001 0.000 0.250 250 I C 2.139 178.202 176.117 -0.089 0.000 1.096 250 I CA 1.900 63.259 61.300 0.098 0.000 1.358 250 I CB -0.451 37.673 38.000 0.207 0.000 1.047 250 I HN 0.370 nan 8.210 nan 0.000 0.422 251 S N -0.241 115.341 115.700 -0.197 0.000 2.400 251 S HA -0.265 4.204 4.470 -0.001 0.000 0.232 251 S C 1.817 176.233 174.600 -0.306 0.000 1.025 251 S CA 1.541 59.481 58.200 -0.433 0.000 0.993 251 S CB -0.597 62.320 63.200 -0.472 0.000 0.808 251 S HN 0.567 nan 8.310 nan 0.000 0.478 252 Y N 1.447 121.519 120.300 -0.380 0.000 2.153 252 Y HA -0.103 4.447 4.550 -0.001 0.000 0.289 252 Y C 2.019 177.636 175.900 -0.471 0.000 1.127 252 Y CA 0.966 58.817 58.100 -0.415 0.000 1.131 252 Y CB -0.752 37.413 38.460 -0.491 0.000 0.995 252 Y HN 0.115 nan 8.280 nan 0.000 0.505 253 Y N 0.573 120.396 120.300 -0.794 0.000 2.128 253 Y HA -0.227 4.322 4.550 -0.001 0.000 0.284 253 Y C 2.827 178.013 175.900 -1.189 0.000 1.154 253 Y CA 1.384 58.637 58.100 -1.413 0.000 1.149 253 Y CB -1.426 36.038 38.460 -1.661 0.000 0.976 253 Y HN 0.276 nan 8.280 nan 0.000 0.505 254 A N -0.337 122.188 122.820 -0.492 0.000 1.948 254 A HA -0.336 3.984 4.320 -0.001 0.000 0.220 254 A C 2.234 179.761 177.584 -0.095 0.000 1.177 254 A CA 2.222 54.151 52.037 -0.179 0.000 0.636 254 A CB -0.814 18.149 19.000 -0.061 0.000 0.815 254 A HN 0.587 nan 8.150 nan 0.000 0.449 255 Q N -1.325 118.340 119.800 -0.225 0.000 2.137 255 Q HA -0.031 4.308 4.340 -0.001 0.000 0.198 255 Q C 1.978 177.915 176.000 -0.105 0.000 0.960 255 Q CA 1.115 56.839 55.803 -0.131 0.000 0.847 255 Q CB -0.174 28.468 28.738 -0.160 0.000 0.915 255 Q HN 0.567 nan 8.270 nan 0.000 0.448 256 L N -0.143 120.884 121.223 -0.326 0.000 1.976 256 L HA -0.148 4.192 4.340 -0.001 0.000 0.209 256 L C 1.729 178.653 176.870 0.090 0.000 1.071 256 L CA 1.814 56.531 54.840 -0.205 0.000 0.746 256 L CB -0.872 40.888 42.059 -0.499 0.000 0.890 256 L HN 0.373 nan 8.230 nan 0.000 0.432 257 W N -0.855 120.411 121.300 -0.057 0.000 2.325 257 W HA -0.259 4.401 4.660 -0.000 0.000 0.299 257 W C 2.733 179.239 176.519 -0.021 0.000 1.215 257 W CA 1.349 58.668 57.345 -0.043 0.000 1.244 257 W CB -1.639 27.780 29.460 -0.068 0.000 1.140 257 W HN 0.346 nan 8.180 nan 0.000 0.523 258 Y N 1.855 122.236 120.300 0.136 0.000 2.181 258 Y HA -0.273 4.276 4.550 -0.000 0.000 0.288 258 Y C 2.301 178.228 175.900 0.045 0.000 1.146 258 Y CA 2.193 60.340 58.100 0.079 0.000 1.164 258 Y CB -0.673 37.817 38.460 0.050 0.000 0.982 258 Y HN -0.150 nan 8.280 nan 0.000 0.515 259 N N 0.206 118.986 118.700 0.133 0.000 2.106 259 N HA -0.162 4.577 4.740 -0.001 0.000 0.188 259 N C 1.905 177.380 175.510 -0.057 0.000 1.029 259 N CA 1.769 54.845 53.050 0.043 0.000 0.848 259 N CB -0.466 38.069 38.487 0.080 0.000 1.007 259 N HN 0.396 nan 8.380 nan 0.000 0.423 260 L N 0.827 122.035 121.223 -0.024 0.000 2.093 260 L HA -0.063 4.277 4.340 -0.001 0.000 0.208 260 L C 2.217 178.995 176.870 -0.153 0.000 1.085 260 L CA 0.711 55.499 54.840 -0.085 0.000 0.755 260 L CB -0.390 41.660 42.059 -0.015 0.000 0.904 260 L HN 0.085 nan 8.230 nan 0.000 0.435 261 L N -0.547 120.591 121.223 -0.141 0.000 2.291 261 L HA -0.168 4.171 4.340 -0.001 0.000 0.214 261 L C 2.009 178.740 176.870 -0.232 0.000 1.120 261 L CA 0.834 55.565 54.840 -0.181 0.000 0.799 261 L CB -0.417 41.548 42.059 -0.155 0.000 0.925 261 L HN 0.247 nan 8.230 nan 0.000 0.446 262 D N 0.434 120.659 120.400 -0.292 0.000 2.149 262 D HA -0.132 4.508 4.640 -0.001 0.000 0.201 262 D C 2.180 178.346 176.300 -0.223 0.000 0.972 262 D CA 0.943 54.779 54.000 -0.274 0.000 0.835 262 D CB 0.157 40.773 40.800 -0.306 0.000 0.966 262 D HN 0.202 nan 8.370 nan 0.000 0.476 263 I N -0.053 120.355 120.570 -0.270 0.000 2.142 263 I HA -0.204 3.965 4.170 -0.001 0.000 0.240 263 I C 2.256 178.014 176.117 -0.598 0.000 1.078 263 I CA 0.497 61.545 61.300 -0.419 0.000 1.343 263 I CB -0.292 37.427 38.000 -0.468 0.000 1.046 263 I HN 0.132 nan 8.210 nan 0.000 0.405 264 L N 1.078 122.018 121.223 -0.471 0.000 1.990 264 L HA -0.267 4.072 4.340 -0.001 0.000 0.213 264 L C 2.699 179.446 176.870 -0.204 0.000 1.072 264 L CA 1.915 56.551 54.840 -0.340 0.000 0.755 264 L CB -0.670 41.279 42.059 -0.184 0.000 0.889 264 L HN 0.128 nan 8.230 nan 0.000 0.432 265 R N -0.714 119.683 120.500 -0.171 0.000 2.096 265 R HA -0.212 4.128 4.340 -0.001 0.000 0.240 265 R C 2.444 178.588 176.300 -0.261 0.000 1.139 265 R CA 2.008 58.052 56.100 -0.093 0.000 0.952 265 R CB -0.235 30.065 30.300 0.000 0.000 0.854 265 R HN 0.364 nan 8.270 nan 0.000 0.436 266 R N -0.743 119.516 120.500 -0.401 0.000 2.096 266 R HA -0.108 4.232 4.340 -0.001 0.000 0.235 266 R C 2.042 178.011 176.300 -0.552 0.000 1.127 266 R CA 1.221 56.812 56.100 -0.849 0.000 0.968 266 R CB -0.262 29.794 30.300 -0.406 0.000 0.861 266 R HN 0.206 nan 8.270 nan 0.000 0.440 267 F N 0.624 120.303 119.950 -0.452 0.000 2.583 267 F HA -0.107 4.420 4.527 -0.000 0.000 0.297 267 F C 2.190 177.802 175.800 -0.313 0.000 1.131 267 F CA 1.291 59.075 58.000 -0.361 0.000 1.467 267 F CB -0.613 38.227 39.000 -0.266 0.000 1.097 267 F HN 0.092 nan 8.300 nan 0.000 0.586 268 T N -4.103 110.360 114.554 -0.151 0.000 3.044 268 T HA 0.084 4.433 4.350 -0.001 0.000 0.260 268 T C 0.854 175.551 174.700 -0.005 0.000 1.019 268 T CA 0.059 62.108 62.100 -0.084 0.000 0.921 268 T CB -0.666 68.178 68.868 -0.040 0.000 1.053 268 T HN 0.181 nan 8.240 nan 0.000 0.533 269 F N -1.088 118.861 119.950 -0.002 0.000 2.925 269 F HA 0.599 5.126 4.527 -0.001 0.000 0.355 269 F C -0.422 175.369 175.800 -0.016 0.000 1.073 269 F CA -1.379 56.615 58.000 -0.010 0.000 1.127 269 F CB -0.121 38.881 39.000 0.002 0.000 1.123 269 F HN -0.059 nan 8.300 nan 0.000 0.551 270 L N 4.662 125.822 121.223 -0.105 0.000 2.385 270 L HA 0.406 4.745 4.340 -0.001 0.000 0.281 270 L C -1.374 175.480 176.870 -0.026 0.000 1.106 270 L CA -2.230 52.592 54.840 -0.029 0.000 0.856 270 L CB 0.468 42.404 42.059 -0.204 0.000 1.186 270 L HN -0.178 nan 8.230 nan 0.000 0.453 271 P HA -0.258 nan 4.420 nan 0.000 0.218 271 P C 1.859 179.133 177.300 -0.042 0.000 1.154 271 P CA 1.510 64.611 63.100 0.001 0.000 0.872 271 P CB 0.206 31.918 31.700 0.020 0.000 0.790 272 I N -1.443 119.095 120.570 -0.054 0.000 2.361 272 I HA -0.191 3.978 4.170 -0.001 0.000 0.251 272 I C 1.570 177.630 176.117 -0.096 0.000 1.133 272 I CA 1.322 62.584 61.300 -0.064 0.000 1.413 272 I CB -0.059 37.907 38.000 -0.058 0.000 1.073 272 I HN -0.155 nan 8.210 nan 0.000 0.424 273 I N 0.184 120.635 120.570 -0.199 0.000 3.226 273 I HA -0.103 4.067 4.170 -0.001 0.000 0.277 273 I C 2.661 178.704 176.117 -0.124 0.000 1.243 273 I CA 1.136 62.287 61.300 -0.250 0.000 1.459 273 I CB -1.235 36.419 38.000 -0.578 0.000 1.093 273 I HN 0.344 nan 8.210 nan 0.000 0.453 274 S N 2.229 117.846 115.700 -0.138 0.000 2.402 274 S HA -0.095 4.375 4.470 -0.001 0.000 0.233 274 S C -0.275 174.207 174.600 -0.197 0.000 1.030 274 S CA 0.909 59.028 58.200 -0.136 0.000 1.003 274 S CB -1.955 61.191 63.200 -0.091 0.000 0.813 274 S HN 0.236 nan 8.310 nan 0.000 0.477 275 P HA -0.045 nan 4.420 nan 0.000 0.223 275 P C 0.163 177.100 177.300 -0.605 0.000 1.144 275 P CA 1.010 63.771 63.100 -0.565 0.000 0.783 275 P CB -0.265 30.890 31.700 -0.909 0.000 0.771 276 Y N -3.057 117.170 120.300 -0.122 0.000 2.531 276 Y HA 0.252 4.802 4.550 -0.001 0.000 0.249 276 Y C 1.793 177.479 175.900 -0.357 0.000 1.168 276 Y CA -0.661 57.285 58.100 -0.255 0.000 1.226 276 Y CB -0.709 37.559 38.460 -0.321 0.000 1.177 276 Y HN -0.167 nan 8.280 nan 0.000 0.527 277 I N 1.097 121.595 120.570 -0.119 0.000 2.335 277 I HA -0.321 3.848 4.170 -0.001 0.000 0.251 277 I C 2.540 178.596 176.117 -0.102 0.000 1.129 277 I CA 1.864 63.095 61.300 -0.114 0.000 1.402 277 I CB -0.227 37.724 38.000 -0.082 0.000 1.069 277 I HN 0.475 nan 8.210 nan 0.000 0.424 278 H N -1.141 117.899 119.070 -0.050 0.000 2.489 278 H HA -0.113 4.442 4.556 -0.000 0.000 0.293 278 H C 1.977 177.300 175.328 -0.008 0.000 1.066 278 H CA 1.326 57.363 56.048 -0.018 0.000 1.305 278 H CB -0.724 29.032 29.762 -0.010 0.000 1.386 278 H HN 0.471 nan 8.280 nan 0.000 0.551 279 Q N 0.618 120.081 119.800 -0.562 0.000 2.119 279 Q HA -0.069 4.271 4.340 -0.001 0.000 0.201 279 Q C 2.426 178.301 176.000 -0.207 0.000 0.972 279 Q CA 1.416 57.010 55.803 -0.348 0.000 0.847 279 Q CB 0.161 28.685 28.738 -0.356 0.000 0.903 279 Q HN 0.450 nan 8.270 nan 0.000 0.433 280 V N 0.094 119.908 119.914 -0.167 0.000 2.295 280 V HA -0.236 3.883 4.120 -0.001 0.000 0.246 280 V C 2.254 178.344 176.094 -0.007 0.000 1.049 280 V CA 1.489 63.721 62.300 -0.114 0.000 1.024 280 V CB -0.575 31.217 31.823 -0.052 0.000 0.648 280 V HN 0.177 nan 8.190 nan 0.000 0.447 281 V N -0.476 119.460 119.914 0.035 0.000 2.287 281 V HA -0.381 3.738 4.120 -0.001 0.000 0.248 281 V C 2.460 178.679 176.094 0.209 0.000 1.053 281 V CA 2.293 64.701 62.300 0.180 0.000 1.027 281 V CB -0.907 30.981 31.823 0.110 0.000 0.646 281 V HN 0.541 nan 8.190 nan 0.000 0.447 282 Q N -1.014 118.822 119.800 0.060 0.000 2.173 282 Q HA -0.250 4.090 4.340 -0.001 0.000 0.208 282 Q C 2.307 178.194 176.000 -0.189 0.000 0.989 282 Q CA 1.747 57.527 55.803 -0.038 0.000 0.872 282 Q CB -0.222 28.501 28.738 -0.024 0.000 0.909 282 Q HN 0.497 nan 8.270 nan 0.000 0.420 283 M N -1.024 118.387 119.600 -0.315 0.000 2.202 283 M HA -0.145 4.335 4.480 -0.001 0.000 0.262 283 M C 1.608 177.550 176.300 -0.596 0.000 1.063 283 M CA 1.438 56.334 55.300 -0.674 0.000 1.097 283 M CB -0.715 31.120 32.600 -1.275 0.000 1.382 283 M HN 0.207 nan 8.290 nan 0.000 0.413 284 F N -0.054 119.765 119.950 -0.219 0.000 2.407 284 F HA -0.052 4.475 4.527 -0.001 0.000 0.299 284 F C 1.767 177.416 175.800 -0.252 0.000 1.097 284 F CA 0.127 58.125 58.000 -0.004 0.000 1.422 284 F CB -0.541 38.605 39.000 0.242 0.000 1.067 284 F HN 0.112 nan 8.300 nan 0.000 0.539 285 C N 4.704 123.747 119.300 -0.430 0.000 2.638 285 C HA 0.140 4.599 4.460 -0.001 0.000 0.410 285 C C -1.280 173.621 174.990 -0.149 0.000 1.404 285 C CA -2.023 56.720 59.018 -0.458 0.000 1.651 285 C CB -0.697 26.803 27.740 -0.400 0.000 2.495 285 C HN 0.111 nan 8.230 nan 0.000 0.606 286 P HA 0.359 nan 4.420 nan 0.000 0.272 286 P C 0.146 177.430 177.300 -0.026 0.000 1.230 286 P CA 0.329 63.389 63.100 -0.066 0.000 0.788 286 P CB 0.733 32.388 31.700 -0.075 0.000 0.949 287 R N 0.073 120.566 120.500 -0.011 0.000 2.562 287 R HA 0.314 4.654 4.340 -0.001 0.000 0.191 287 R C 1.918 178.229 176.300 0.018 0.000 0.835 287 R CA 1.102 57.210 56.100 0.014 0.000 1.036 287 R CB -1.306 29.015 30.300 0.035 0.000 1.437 287 R HN 0.540 nan 8.270 nan 0.000 0.654 288 E N 0.761 120.972 120.200 0.019 0.000 2.460 288 E HA 0.179 4.529 4.350 -0.001 0.000 0.200 288 E C 0.469 177.075 176.600 0.010 0.000 1.011 288 E CA 0.265 56.678 56.400 0.022 0.000 0.912 288 E CB -0.365 29.358 29.700 0.038 0.000 0.953 288 E HN 0.689 nan 8.360 nan 0.000 0.494 289 N N -0.590 118.103 118.700 -0.011 0.000 2.725 289 N HA -0.085 4.655 4.740 -0.001 0.000 0.251 289 N C 0.151 175.658 175.510 -0.003 0.000 1.031 289 N CA 0.543 53.581 53.050 -0.020 0.000 0.720 289 N CB -1.086 37.401 38.487 -0.000 0.000 0.930 289 N HN 0.758 nan 8.380 nan 0.000 0.543 290 G N -0.950 107.847 108.800 -0.006 0.000 2.663 290 G HA2 0.555 4.515 3.960 -0.001 0.000 0.299 290 G HA3 0.555 4.515 3.960 -0.001 0.000 0.299 290 G C -2.697 172.214 174.900 0.019 0.000 1.372 290 G CA -0.902 44.209 45.100 0.018 0.000 0.781 290 G HN -0.084 nan 8.290 nan 0.000 0.491 291 P HA 0.168 nan 4.420 nan 0.000 0.269 291 P C 0.754 178.083 177.300 0.048 0.000 1.376 291 P CA 1.248 64.374 63.100 0.045 0.000 0.775 291 P CB 0.272 32.005 31.700 0.056 0.000 1.345 292 Q N -0.989 118.846 119.800 0.057 0.000 2.322 292 Q HA 0.092 4.432 4.340 -0.001 0.000 0.250 292 Q C 0.799 176.901 176.000 0.171 0.000 0.853 292 Q CA 0.057 55.924 55.803 0.106 0.000 0.951 292 Q CB -0.432 28.364 28.738 0.096 0.000 1.114 292 Q HN 0.300 nan 8.270 nan 0.000 0.523 293 D N -0.436 120.008 120.400 0.074 0.000 2.423 293 D HA 0.062 4.701 4.640 -0.001 0.000 0.238 293 D C 0.589 176.828 176.300 -0.102 0.000 1.142 293 D CA -0.197 53.810 54.000 0.011 0.000 0.884 293 D CB 0.667 41.411 40.800 -0.093 0.000 1.199 293 D HN 0.282 nan 8.370 nan 0.000 0.438 294 F N 2.851 122.459 119.950 -0.571 0.000 2.065 294 F HA -0.274 4.253 4.527 -0.000 0.000 0.298 294 F C 2.581 178.137 175.800 -0.407 0.000 1.112 294 F CA 1.842 59.371 58.000 -0.785 0.000 1.212 294 F CB 0.025 38.348 39.000 -1.129 0.000 0.975 294 F HN 0.384 nan 8.300 nan 0.000 0.476 295 R N 0.343 120.728 120.500 -0.193 0.000 2.105 295 R HA -0.167 4.173 4.340 -0.001 0.000 0.239 295 R C 1.796 178.099 176.300 0.005 0.000 1.135 295 R CA 2.007 58.096 56.100 -0.018 0.000 0.967 295 R CB -1.200 29.158 30.300 0.095 0.000 0.861 295 R HN 0.397 nan 8.270 nan 0.000 0.442 296 E N 0.853 120.999 120.200 -0.090 0.000 2.285 296 E HA -0.039 4.311 4.350 -0.001 0.000 0.194 296 E C 2.051 178.635 176.600 -0.027 0.000 0.997 296 E CA 0.706 57.132 56.400 0.044 0.000 0.845 296 E CB 0.028 29.739 29.700 0.019 0.000 0.782 296 E HN 0.409 nan 8.360 nan 0.000 0.491 297 L N 0.600 121.717 121.223 -0.177 0.000 2.068 297 L HA -0.123 4.217 4.340 -0.001 0.000 0.204 297 L C 2.372 179.031 176.870 -0.352 0.000 1.076 297 L CA 0.456 55.131 54.840 -0.275 0.000 0.753 297 L CB -0.260 41.589 42.059 -0.349 0.000 0.910 297 L HN 0.139 nan 8.230 nan 0.000 0.439 298 I N -0.040 120.254 120.570 -0.461 0.000 2.163 298 I HA -0.397 3.772 4.170 -0.001 0.000 0.243 298 I C 2.871 178.952 176.117 -0.061 0.000 1.085 298 I CA 1.557 62.652 61.300 -0.341 0.000 1.347 298 I CB -1.088 36.693 38.000 -0.365 0.000 1.044 298 I HN 0.512 nan 8.210 nan 0.000 0.408 299 C N 1.241 120.583 119.300 0.070 0.000 2.429 299 C HA -0.176 4.283 4.460 -0.001 0.000 0.277 299 C C 2.701 177.744 174.990 0.089 0.000 1.262 299 C CA 1.310 60.413 59.018 0.141 0.000 1.733 299 C CB -1.407 26.490 27.740 0.261 0.000 2.010 299 C HN 0.536 nan 8.230 nan 0.000 0.483 300 N N 0.108 118.855 118.700 0.078 0.000 2.309 300 N HA -0.057 4.683 4.740 -0.001 0.000 0.182 300 N C 1.680 177.351 175.510 0.268 0.000 1.018 300 N CA 1.018 54.161 53.050 0.156 0.000 0.876 300 N CB -0.161 38.415 38.487 0.149 0.000 0.972 300 N HN 0.609 nan 8.380 nan 0.000 0.434 301 L N 1.015 122.280 121.223 0.070 0.000 2.275 301 L HA -0.068 4.271 4.340 -0.001 0.000 0.215 301 L C 1.917 178.866 176.870 0.131 0.000 1.119 301 L CA 0.653 55.488 54.840 -0.008 0.000 0.790 301 L CB -0.187 41.757 42.059 -0.192 0.000 0.919 301 L HN 0.258 nan 8.230 nan 0.000 0.443 302 I N -5.204 115.425 120.570 0.099 0.000 3.928 302 I HA 0.174 4.343 4.170 -0.001 0.000 0.335 302 I C 1.131 177.417 176.117 0.281 0.000 1.325 302 I CA -0.347 60.997 61.300 0.073 0.000 1.107 302 I CB 0.195 37.964 38.000 -0.385 0.000 1.014 302 I HN -0.079 nan 8.210 nan 0.000 0.400 303 S N 1.423 117.284 115.700 0.268 0.000 2.561 303 S HA -0.014 4.456 4.470 -0.001 0.000 0.294 303 S C 1.074 175.711 174.600 0.062 0.000 1.294 303 S CA -0.204 58.069 58.200 0.121 0.000 1.055 303 S CB 0.674 63.888 63.200 0.024 0.000 0.819 303 S HN 0.543 nan 8.310 nan 0.000 0.503 304 L N 5.228 126.336 121.223 -0.192 0.000 2.042 304 L HA -0.173 4.167 4.340 -0.001 0.000 0.210 304 L C 2.016 178.800 176.870 -0.143 0.000 1.076 304 L CA 2.569 57.209 54.840 -0.334 0.000 0.749 304 L CB -0.801 40.924 42.059 -0.557 0.000 0.893 304 L HN 0.948 nan 8.230 nan 0.000 0.432 305 N N -1.571 117.004 118.700 -0.209 0.000 2.348 305 N HA -0.273 4.467 4.740 -0.001 0.000 0.185 305 N C 1.481 176.908 175.510 -0.139 0.000 1.019 305 N CA 1.811 54.722 53.050 -0.231 0.000 0.880 305 N CB -1.113 37.158 38.487 -0.361 0.000 0.965 305 N HN 0.561 nan 8.380 nan 0.000 0.437 306 W N 0.709 122.029 121.300 0.033 0.000 2.465 306 W HA 0.055 4.715 4.660 -0.001 0.000 0.268 306 W C 1.850 178.405 176.519 0.060 0.000 1.242 306 W CA -0.193 57.193 57.345 0.068 0.000 1.248 306 W CB 0.075 29.594 29.460 0.098 0.000 1.118 306 W HN 0.104 nan 8.180 nan 0.000 0.587 307 Q N 0.285 120.240 119.800 0.258 0.000 2.369 307 Q HA -0.084 4.256 4.340 -0.001 0.000 0.206 307 Q C 2.268 178.323 176.000 0.092 0.000 0.963 307 Q CA 1.572 57.476 55.803 0.169 0.000 0.894 307 Q CB -0.541 28.297 28.738 0.166 0.000 0.965 307 Q HN 0.487 nan 8.270 nan 0.000 0.475 308 K N 1.275 121.723 120.400 0.081 0.000 2.418 308 K HA -0.027 4.292 4.320 -0.001 0.000 0.195 308 K C 0.592 177.234 176.600 0.069 0.000 1.035 308 K CA 0.652 56.965 56.287 0.043 0.000 1.003 308 K CB -0.050 32.454 32.500 0.008 0.000 0.793 308 K HN 0.153 nan 8.250 nan 0.000 0.494 309 D N 0.064 120.553 120.400 0.147 0.000 2.249 309 D HA 0.157 4.797 4.640 -0.001 0.000 0.246 309 D C -2.033 174.313 176.300 0.077 0.000 1.114 309 D CA -2.075 52.035 54.000 0.183 0.000 0.854 309 D CB 2.065 43.116 40.800 0.418 0.000 1.132 309 D HN -0.064 nan 8.370 nan 0.000 0.461 310 P HA -0.048 nan 4.420 nan 0.000 0.221 310 P C 0.333 177.519 177.300 -0.190 0.000 1.150 310 P CA 1.253 64.252 63.100 -0.168 0.000 0.800 310 P CB 0.340 31.856 31.700 -0.307 0.000 0.787 311 H N -2.465 116.671 119.070 0.110 0.000 2.406 311 H HA 0.231 4.787 4.556 -0.001 0.000 0.304 311 H C 1.852 177.251 175.328 0.118 0.000 1.042 311 H CA 0.581 56.703 56.048 0.122 0.000 1.360 311 H CB -0.329 29.469 29.762 0.059 0.000 1.448 311 H HN -0.144 nan 8.280 nan 0.000 0.553 312 M N 1.547 121.263 119.600 0.193 0.000 2.492 312 M HA -0.057 4.423 4.480 -0.001 0.000 0.262 312 M C 1.820 178.171 176.300 0.085 0.000 1.090 312 M CA 1.000 56.338 55.300 0.062 0.000 1.110 312 M CB -0.376 32.132 32.600 -0.153 0.000 1.407 312 M HN 0.370 nan 8.290 nan 0.000 0.470 313 K N -0.924 119.508 120.400 0.053 0.000 2.280 313 K HA -0.166 4.153 4.320 -0.001 0.000 0.202 313 K C 1.383 177.949 176.600 -0.057 0.000 1.047 313 K CA 1.270 57.551 56.287 -0.009 0.000 0.942 313 K CB -0.446 31.988 32.500 -0.110 0.000 0.739 313 K HN 0.370 nan 8.250 nan 0.000 0.457 314 H N 0.316 119.484 119.070 0.164 0.000 2.470 314 H HA 0.022 4.578 4.556 -0.001 0.000 0.289 314 H C 2.140 177.646 175.328 0.298 0.000 1.033 314 H CA 1.138 57.316 56.048 0.217 0.000 1.331 314 H CB -0.151 29.695 29.762 0.140 0.000 1.414 314 H HN 0.329 nan 8.280 nan 0.000 0.545 315 C N 0.851 120.343 119.300 0.319 0.000 2.466 315 C HA 0.042 4.502 4.460 -0.001 0.000 0.278 315 C C 3.138 178.197 174.990 0.114 0.000 1.288 315 C CA 0.660 59.806 59.018 0.214 0.000 1.722 315 C CB -0.892 26.943 27.740 0.158 0.000 2.017 315 C HN 0.620 nan 8.230 nan 0.000 0.488 316 A N 1.420 124.309 122.820 0.116 0.000 1.869 316 A HA -0.304 4.015 4.320 -0.001 0.000 0.218 316 A C 2.095 179.812 177.584 0.220 0.000 1.203 316 A CA 2.295 54.406 52.037 0.123 0.000 0.638 316 A CB -1.115 18.037 19.000 0.252 0.000 0.831 316 A HN 0.748 nan 8.150 nan 0.000 0.450 317 N N -0.942 117.943 118.700 0.309 0.000 2.364 317 N HA -0.202 4.537 4.740 -0.001 0.000 0.183 317 N C 1.906 177.592 175.510 0.292 0.000 1.022 317 N CA 1.503 54.770 53.050 0.363 0.000 0.883 317 N CB -0.121 38.533 38.487 0.279 0.000 0.965 317 N HN 0.729 nan 8.380 nan 0.000 0.438 318 Q N -0.055 119.868 119.800 0.204 0.000 2.096 318 Q HA -0.003 4.337 4.340 -0.001 0.000 0.197 318 Q C 2.163 178.211 176.000 0.081 0.000 0.964 318 Q CA 0.689 56.559 55.803 0.112 0.000 0.838 318 Q CB 0.326 29.065 28.738 0.001 0.000 0.906 318 Q HN 0.171 nan 8.270 nan 0.000 0.444 319 V N 0.478 120.411 119.914 0.031 0.000 2.332 319 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 319 V C 1.809 177.983 176.094 0.134 0.000 1.055 319 V CA 1.681 63.974 62.300 -0.011 0.000 1.038 319 V CB -0.572 31.188 31.823 -0.104 0.000 0.651 319 V HN 0.325 nan 8.190 nan 0.000 0.450 320 F N 0.340 120.422 119.950 0.220 0.000 2.171 320 F HA -0.176 4.351 4.527 -0.001 0.000 0.300 320 F C 2.570 178.483 175.800 0.188 0.000 1.090 320 F CA 1.522 59.648 58.000 0.209 0.000 1.293 320 F CB -0.677 38.377 39.000 0.090 0.000 1.013 320 F HN 0.180 nan 8.300 nan 0.000 0.486 321 Q N -0.241 119.751 119.800 0.319 0.000 2.167 321 Q HA -0.142 4.198 4.340 -0.001 0.000 0.202 321 Q C 2.282 178.391 176.000 0.181 0.000 0.970 321 Q CA 1.298 57.233 55.803 0.220 0.000 0.855 321 Q CB -0.203 28.641 28.738 0.177 0.000 0.911 321 Q HN 0.442 nan 8.270 nan 0.000 0.438 322 I N -0.467 120.185 120.570 0.137 0.000 2.193 322 I HA -0.240 3.930 4.170 -0.001 0.000 0.240 322 I C 1.638 177.765 176.117 0.018 0.000 1.084 322 I CA 1.033 62.355 61.300 0.037 0.000 1.365 322 I CB -0.163 37.807 38.000 -0.049 0.000 1.064 322 I HN 0.108 nan 8.210 nan 0.000 0.410 323 F N 1.027 121.038 119.950 0.102 0.000 2.091 323 F HA -0.287 4.239 4.527 -0.001 0.000 0.299 323 F C 2.352 178.184 175.800 0.054 0.000 1.103 323 F CA 2.141 60.198 58.000 0.095 0.000 1.228 323 F CB -0.922 38.133 39.000 0.093 0.000 0.984 323 F HN 0.126 nan 8.300 nan 0.000 0.477 324 N N -0.987 117.883 118.700 0.284 0.000 2.289 324 N HA -0.166 4.573 4.740 -0.001 0.000 0.184 324 N C 1.706 177.280 175.510 0.106 0.000 1.016 324 N CA 1.298 54.453 53.050 0.174 0.000 0.872 324 N CB -0.220 38.372 38.487 0.175 0.000 0.973 324 N HN 0.218 nan 8.380 nan 0.000 0.433 325 C N -0.636 118.722 119.300 0.097 0.000 2.505 325 C HA 0.194 4.654 4.460 -0.001 0.000 0.279 325 C C 2.411 177.400 174.990 -0.002 0.000 1.316 325 C CA -0.106 58.957 59.018 0.075 0.000 1.720 325 C CB -0.890 26.922 27.740 0.120 0.000 2.050 325 C HN 0.491 nan 8.230 nan 0.000 0.493 326 I N 0.861 121.384 120.570 -0.078 0.000 2.113 326 I HA -0.205 3.965 4.170 -0.001 0.000 0.238 326 I C 2.250 178.257 176.117 -0.182 0.000 1.070 326 I CA 1.825 62.992 61.300 -0.223 0.000 1.332 326 I CB -0.454 37.221 38.000 -0.543 0.000 1.044 326 I HN 0.258 nan 8.210 nan 0.000 0.402 327 I N 0.053 120.532 120.570 -0.151 0.000 2.163 327 I HA -0.307 3.862 4.170 -0.001 0.000 0.243 327 I C 2.401 178.470 176.117 -0.079 0.000 1.085 327 I CA 1.364 62.512 61.300 -0.253 0.000 1.347 327 I CB -0.232 37.600 38.000 -0.281 0.000 1.044 327 I HN 0.250 nan 8.210 nan 0.000 0.408 328 M N 0.011 119.605 119.600 -0.011 0.000 2.562 328 M HA 0.025 4.504 4.480 -0.001 0.000 0.257 328 M C 2.020 178.333 176.300 0.021 0.000 1.099 328 M CA 1.019 56.335 55.300 0.026 0.000 1.099 328 M CB -1.318 31.308 32.600 0.043 0.000 1.427 328 M HN 0.313 nan 8.290 nan 0.000 0.489 329 G N -0.013 108.787 108.800 -0.000 0.000 2.570 329 G HA2 0.174 4.134 3.960 -0.001 0.000 0.209 329 G HA3 0.174 4.134 3.960 -0.001 0.000 0.209 329 G C 0.380 175.278 174.900 -0.003 0.000 1.168 329 G CA 0.159 45.261 45.100 0.004 0.000 0.831 329 G HN 0.349 nan 8.290 nan 0.000 0.564 330 V N -0.141 119.759 119.914 -0.023 0.000 2.521 330 V HA 0.435 4.554 4.120 -0.001 0.000 0.286 330 V C 0.689 176.799 176.094 0.027 0.000 1.034 330 V CA -0.172 62.121 62.300 -0.010 0.000 1.045 330 V CB 1.237 33.041 31.823 -0.032 0.000 0.974 330 V HN 0.334 nan 8.190 nan 0.000 0.480 331 K N 2.659 123.072 120.400 0.022 0.000 2.348 331 K HA 0.144 4.464 4.320 -0.001 0.000 0.194 331 K C 1.044 177.665 176.600 0.035 0.000 1.052 331 K CA 0.038 56.344 56.287 0.032 0.000 1.004 331 K CB 0.098 32.609 32.500 0.019 0.000 0.873 331 K HN 0.775 nan 8.250 nan 0.000 0.523 332 N N 2.640 121.356 118.700 0.026 0.000 2.423 332 N HA -0.091 4.648 4.740 -0.001 0.000 0.275 332 N C 0.321 175.860 175.510 0.049 0.000 1.283 332 N CA 0.428 53.492 53.050 0.025 0.000 0.932 332 N CB 0.682 39.175 38.487 0.010 0.000 1.185 332 N HN 0.127 nan 8.380 nan 0.000 0.483 333 E N 3.732 123.959 120.200 0.045 0.000 2.153 333 E HA -0.200 4.150 4.350 -0.001 0.000 0.194 333 E C 1.736 178.370 176.600 0.057 0.000 0.988 333 E CA 1.381 57.815 56.400 0.057 0.000 0.811 333 E CB -0.092 29.632 29.700 0.039 0.000 0.746 333 E HN 0.799 nan 8.360 nan 0.000 0.466 334 K N 0.679 121.103 120.400 0.040 0.000 2.217 334 K HA -0.052 4.268 4.320 -0.001 0.000 0.202 334 K C 2.043 178.679 176.600 0.061 0.000 1.051 334 K CA 0.855 57.164 56.287 0.036 0.000 0.952 334 K CB -0.552 31.959 32.500 0.018 0.000 0.736 334 K HN -0.025 nan 8.250 nan 0.000 0.453 335 L N 0.742 122.012 121.223 0.078 0.000 2.095 335 L HA 0.133 4.472 4.340 -0.001 0.000 0.204 335 L C 2.502 179.484 176.870 0.187 0.000 1.080 335 L CA 1.299 56.208 54.840 0.114 0.000 0.759 335 L CB -0.379 41.732 42.059 0.086 0.000 0.914 335 L HN 0.321 nan 8.230 nan 0.000 0.439 336 R N -1.206 119.417 120.500 0.205 0.000 2.112 336 R HA -0.206 4.133 4.340 -0.001 0.000 0.242 336 R C 2.046 178.534 176.300 0.313 0.000 1.137 336 R CA 2.178 58.494 56.100 0.359 0.000 0.944 336 R CB -0.939 29.551 30.300 0.318 0.000 0.857 336 R HN 0.363 nan 8.270 nan 0.000 0.435 337 T N 0.706 115.339 114.554 0.132 0.000 2.684 337 T HA -0.171 4.179 4.350 -0.001 0.000 0.267 337 T C 1.602 176.301 174.700 -0.000 0.000 1.036 337 T CA 1.526 63.641 62.100 0.025 0.000 1.148 337 T CB -0.152 68.716 68.868 0.001 0.000 0.863 337 T HN 0.402 nan 8.240 nan 0.000 0.436 338 E N -0.119 120.095 120.200 0.024 0.000 2.072 338 E HA -0.078 4.271 4.350 -0.001 0.000 0.191 338 E C 1.898 178.385 176.600 -0.189 0.000 0.985 338 E CA 0.748 57.072 56.400 -0.126 0.000 0.801 338 E CB -0.216 29.484 29.700 -0.001 0.000 0.750 338 E HN 0.379 nan 8.360 nan 0.000 0.452 339 F N 1.707 121.675 119.950 0.031 0.000 2.102 339 F HA -0.182 4.344 4.527 -0.001 0.000 0.298 339 F C 2.222 178.155 175.800 0.222 0.000 1.105 339 F CA 1.347 59.463 58.000 0.194 0.000 1.239 339 F CB -0.793 38.336 39.000 0.216 0.000 0.991 339 F HN -0.055 nan 8.300 nan 0.000 0.474 340 A N -0.083 122.835 122.820 0.162 0.000 1.892 340 A HA -0.332 3.988 4.320 -0.001 0.000 0.218 340 A C 2.304 179.813 177.584 -0.126 0.000 1.188 340 A CA 2.122 54.082 52.037 -0.128 0.000 0.631 340 A CB -1.204 17.545 19.000 -0.419 0.000 0.822 340 A HN 0.618 nan 8.150 nan 0.000 0.447 341 Q N -1.199 118.516 119.800 -0.142 0.000 2.084 341 Q HA -0.247 4.093 4.340 -0.001 0.000 0.202 341 Q C 1.872 177.860 176.000 -0.021 0.000 0.978 341 Q CA 1.927 57.657 55.803 -0.122 0.000 0.844 341 Q CB -0.221 28.411 28.738 -0.178 0.000 0.898 341 Q HN 0.910 nan 8.270 nan 0.000 0.426 342 H N -0.295 118.834 119.070 0.097 0.000 2.421 342 H HA -0.099 4.457 4.556 -0.001 0.000 0.298 342 H C 1.962 177.412 175.328 0.203 0.000 1.087 342 H CA 1.177 57.313 56.048 0.146 0.000 1.330 342 H CB 0.096 29.998 29.762 0.234 0.000 1.388 342 H HN 0.234 nan 8.280 nan 0.000 0.526 343 L N 0.464 121.799 121.223 0.186 0.000 2.291 343 L HA -0.062 4.277 4.340 -0.001 0.000 0.214 343 L C 0.528 177.522 176.870 0.206 0.000 1.120 343 L CA 0.730 55.685 54.840 0.191 0.000 0.799 343 L CB -0.072 41.935 42.059 -0.087 0.000 0.925 343 L HN 0.099 nan 8.230 nan 0.000 0.446 344 K N 1.669 122.172 120.400 0.172 0.000 2.111 344 K HA 0.213 4.533 4.320 -0.001 0.000 0.249 344 K C -0.845 175.885 176.600 0.217 0.000 1.157 344 K CA -0.072 56.270 56.287 0.091 0.000 1.048 344 K CB -0.232 32.276 32.500 0.013 0.000 1.498 344 K HN 0.041 nan 8.250 nan 0.000 0.344 345 F N -2.477 117.479 119.950 0.011 0.000 2.613 345 F HA 0.413 4.940 4.527 -0.001 0.000 0.310 345 F C 1.080 176.899 175.800 0.030 0.000 1.085 345 F CA -1.065 56.945 58.000 0.018 0.000 0.945 345 F CB 0.950 39.974 39.000 0.040 0.000 1.298 345 F HN 0.184 nan 8.300 nan 0.000 0.455 346 E N 1.369 121.627 120.200 0.097 0.000 2.065 346 E HA -0.182 4.168 4.350 -0.001 0.000 0.201 346 E C 1.896 178.471 176.600 -0.042 0.000 1.016 346 E CA 3.121 59.542 56.400 0.034 0.000 0.818 346 E CB -1.331 28.422 29.700 0.088 0.000 0.749 346 E HN 0.922 nan 8.360 nan 0.000 0.453 347 K N -0.045 120.360 120.400 0.008 0.000 2.147 347 K HA 0.160 4.479 4.320 -0.001 0.000 0.205 347 K C 2.358 178.830 176.600 -0.214 0.000 1.049 347 K CA 1.657 57.942 56.287 -0.003 0.000 0.936 347 K CB -0.860 31.771 32.500 0.219 0.000 0.722 347 K HN 0.449 nan 8.250 nan 0.000 0.446 348 L N 0.938 121.732 121.223 -0.715 0.000 2.023 348 L HA -0.045 4.295 4.340 -0.001 0.000 0.205 348 L C 2.674 179.337 176.870 -0.344 0.000 1.073 348 L CA 2.192 56.654 54.840 -0.630 0.000 0.745 348 L CB -0.255 41.190 42.059 -1.023 0.000 0.900 348 L HN 0.325 nan 8.230 nan 0.000 0.435 349 V N -2.110 117.648 119.914 -0.260 0.000 2.407 349 V HA -0.057 4.062 4.120 -0.001 0.000 0.248 349 V C 2.386 178.535 176.094 0.092 0.000 1.055 349 V CA 1.632 63.939 62.300 0.012 0.000 1.049 349 V CB -2.232 29.721 31.823 0.217 0.000 0.662 349 V HN 0.439 nan 8.190 nan 0.000 0.455 350 G N 0.067 108.893 108.800 0.042 0.000 2.446 350 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.217 350 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.217 350 G C 1.586 176.499 174.900 0.022 0.000 1.168 350 G CA 1.634 46.768 45.100 0.056 0.000 0.771 350 G HN 0.479 nan 8.290 nan 0.000 0.551 351 T N 1.301 115.842 114.554 -0.022 0.000 2.684 351 T HA -0.067 4.283 4.350 -0.001 0.000 0.267 351 T C 2.460 177.187 174.700 0.044 0.000 1.036 351 T CA 1.143 63.240 62.100 -0.005 0.000 1.148 351 T CB -0.243 68.617 68.868 -0.013 0.000 0.863 351 T HN 0.160 nan 8.240 nan 0.000 0.436 352 L N 0.745 121.952 121.223 -0.027 0.000 2.017 352 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 352 L C 2.865 179.760 176.870 0.042 0.000 1.073 352 L CA 1.174 55.985 54.840 -0.048 0.000 0.745 352 L CB -0.705 41.098 42.059 -0.426 0.000 0.894 352 L HN 0.227 nan 8.230 nan 0.000 0.432 353 S N -0.555 115.218 115.700 0.121 0.000 2.400 353 S HA -0.252 4.217 4.470 -0.001 0.000 0.232 353 S C 1.835 176.459 174.600 0.040 0.000 1.025 353 S CA 1.347 59.631 58.200 0.139 0.000 0.993 353 S CB -0.310 63.001 63.200 0.184 0.000 0.808 353 S HN 0.413 nan 8.310 nan 0.000 0.478 354 E N -0.050 120.152 120.200 0.002 0.000 2.267 354 E HA -0.185 4.165 4.350 -0.001 0.000 0.197 354 E C 1.144 177.655 176.600 -0.149 0.000 0.998 354 E CA 0.901 57.257 56.400 -0.073 0.000 0.830 354 E CB -0.123 29.501 29.700 -0.126 0.000 0.751 354 E HN 0.666 nan 8.360 nan 0.000 0.491 355 Y N -1.471 118.703 120.300 -0.210 0.000 2.509 355 Y HA -0.115 4.434 4.550 -0.001 0.000 0.293 355 Y C 0.982 176.773 175.900 -0.182 0.000 1.133 355 Y CA 0.534 58.471 58.100 -0.271 0.000 1.283 355 Y CB 0.271 38.448 38.460 -0.472 0.000 1.001 355 Y HN 0.097 nan 8.280 nan 0.000 0.555 356 F N -0.683 119.309 119.950 0.071 0.000 2.641 356 F HA 0.169 4.695 4.527 -0.001 0.000 0.302 356 F C 0.337 176.125 175.800 -0.020 0.000 1.098 356 F CA -1.084 56.911 58.000 -0.008 0.000 1.318 356 F CB -0.827 38.125 39.000 -0.080 0.000 1.035 356 F HN -0.152 nan 8.300 nan 0.000 0.551 357 N N 2.719 121.497 118.700 0.130 0.000 2.508 357 N HA 0.069 4.809 4.740 -0.001 0.000 0.264 357 N C -1.240 174.301 175.510 0.051 0.000 1.216 357 N CA -1.265 51.823 53.050 0.063 0.000 0.943 357 N CB 0.546 39.043 38.487 0.016 0.000 1.113 357 N HN -0.035 nan 8.380 nan 0.000 0.447 358 P HA -0.141 nan 4.420 nan 0.000 0.219 358 P C 0.813 178.122 177.300 0.014 0.000 1.146 358 P CA 1.550 64.660 63.100 0.017 0.000 0.808 358 P CB 0.234 31.937 31.700 0.005 0.000 0.779 359 Q N 0.060 119.868 119.800 0.014 0.000 2.432 359 Q HA 0.152 4.491 4.340 -0.001 0.000 0.205 359 Q C 1.274 177.290 176.000 0.028 0.000 0.945 359 Q CA 0.475 56.286 55.803 0.014 0.000 0.924 359 Q CB -0.998 27.742 28.738 0.005 0.000 1.016 359 Q HN 0.170 nan 8.270 nan 0.000 0.503 360 V N 2.304 122.238 119.914 0.034 0.000 2.508 360 V HA 0.099 4.219 4.120 -0.001 0.000 0.281 360 V C 0.415 176.568 176.094 0.098 0.000 1.041 360 V CA -0.810 61.526 62.300 0.060 0.000 1.016 360 V CB 0.681 32.533 31.823 0.050 0.000 0.984 360 V HN 0.690 nan 8.190 nan 0.000 0.478 361 H N 8.986 128.077 119.070 0.036 0.000 2.964 361 H HA 0.085 4.641 4.556 -0.001 0.000 0.328 361 H C -1.553 173.825 175.328 0.083 0.000 1.030 361 H CA -1.439 54.637 56.048 0.046 0.000 1.445 361 H CB 1.820 31.601 29.762 0.032 0.000 1.449 361 H HN 0.415 nan 8.280 nan 0.000 0.581 362 P HA -0.043 nan 4.420 nan 0.000 0.230 362 P C 1.365 178.864 177.300 0.332 0.000 1.158 362 P CA 0.962 64.134 63.100 0.120 0.000 0.769 362 P CB -0.073 31.620 31.700 -0.011 0.000 0.807 363 G N 0.181 109.303 108.800 0.537 0.000 2.479 363 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.220 363 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.220 363 G C 1.377 176.398 174.900 0.202 0.000 1.115 363 G CA 0.493 45.834 45.100 0.401 0.000 0.757 363 G HN 0.223 nan 8.290 nan 0.000 0.560 364 M N 0.236 119.990 119.600 0.258 0.000 2.595 364 M HA 0.330 4.809 4.480 -0.001 0.000 0.248 364 M C 0.585 177.019 176.300 0.223 0.000 1.119 364 M CA 0.258 55.673 55.300 0.191 0.000 1.079 364 M CB 0.027 32.741 32.600 0.190 0.000 1.472 364 M HN -0.012 nan 8.290 nan 0.000 0.501 365 I N 1.542 122.261 120.570 0.248 0.000 2.329 365 I HA 0.019 4.189 4.170 -0.001 0.000 0.295 365 I C 0.342 176.467 176.117 0.012 0.000 1.109 365 I CA -0.420 60.945 61.300 0.109 0.000 1.297 365 I CB -0.325 37.777 38.000 0.169 0.000 1.433 365 I HN 0.125 nan 8.210 nan 0.000 0.509 366 N N 9.091 127.587 118.700 -0.340 0.000 2.447 366 N HA 0.025 4.765 4.740 -0.001 0.000 0.263 366 N C -1.628 173.660 175.510 -0.369 0.000 1.226 366 N CA -1.143 51.623 53.050 -0.472 0.000 0.906 366 N CB 1.377 39.163 38.487 -1.167 0.000 1.060 366 N HN 0.238 nan 8.380 nan 0.000 0.468 367 P HA -0.124 nan 4.420 nan 0.000 0.220 367 P C 0.634 177.972 177.300 0.063 0.000 1.144 367 P CA 1.166 64.339 63.100 0.122 0.000 0.800 367 P CB 0.166 31.931 31.700 0.109 0.000 0.772 368 A N -1.012 121.724 122.820 -0.141 0.000 2.066 368 A HA -0.114 4.205 4.320 -0.001 0.000 0.218 368 A C 2.074 179.620 177.584 -0.062 0.000 1.157 368 A CA 0.869 52.884 52.037 -0.037 0.000 0.670 368 A CB -1.420 17.617 19.000 0.062 0.000 0.804 368 A HN 0.143 nan 8.150 nan 0.000 0.453 369 I N -1.413 118.974 120.570 -0.306 0.000 2.264 369 I HA -0.289 3.881 4.170 -0.001 0.000 0.248 369 I C 2.150 178.202 176.117 -0.108 0.000 1.111 369 I CA 1.347 62.455 61.300 -0.319 0.000 1.382 369 I CB -0.431 37.174 38.000 -0.658 0.000 1.060 369 I HN 0.313 nan 8.210 nan 0.000 0.418 370 F N 0.516 120.526 119.950 0.101 0.000 2.051 370 F HA -0.229 4.298 4.527 -0.001 0.000 0.296 370 F C 2.401 178.293 175.800 0.153 0.000 1.122 370 F CA 1.231 59.327 58.000 0.160 0.000 1.201 370 F CB -0.787 38.255 39.000 0.070 0.000 0.978 370 F HN -0.084 nan 8.300 nan 0.000 0.472 371 I N 0.436 121.173 120.570 0.277 0.000 2.185 371 I HA -0.319 3.851 4.170 -0.001 0.000 0.246 371 I C 2.398 178.627 176.117 0.187 0.000 1.088 371 I CA 1.698 63.120 61.300 0.202 0.000 1.347 371 I CB -1.436 36.655 38.000 0.152 0.000 1.041 371 I HN 0.180 nan 8.210 nan 0.000 0.415 372 I N -0.574 120.054 120.570 0.096 0.000 2.202 372 I HA -0.287 3.882 4.170 -0.001 0.000 0.242 372 I C 2.491 178.629 176.117 0.035 0.000 1.091 372 I CA 1.218 62.513 61.300 -0.009 0.000 1.368 372 I CB -0.509 37.310 38.000 -0.301 0.000 1.058 372 I HN -0.026 nan 8.210 nan 0.000 0.410 373 F N 1.083 121.043 119.950 0.018 0.000 2.091 373 F HA -0.246 4.280 4.527 -0.001 0.000 0.299 373 F C 2.770 178.626 175.800 0.094 0.000 1.103 373 F CA 1.753 59.764 58.000 0.019 0.000 1.228 373 F CB -0.533 38.447 39.000 -0.034 0.000 0.984 373 F HN -0.062 nan 8.300 nan 0.000 0.477 374 R N -0.571 120.128 120.500 0.331 0.000 2.091 374 R HA -0.239 4.101 4.340 -0.001 0.000 0.238 374 R C 2.356 178.792 176.300 0.227 0.000 1.136 374 R CA 1.812 58.060 56.100 0.246 0.000 0.959 374 R CB -0.773 29.660 30.300 0.221 0.000 0.856 374 R HN 0.297 nan 8.270 nan 0.000 0.437 375 F N 1.903 121.913 119.950 0.100 0.000 2.075 375 F HA -0.155 4.372 4.527 -0.001 0.000 0.297 375 F C 1.986 177.814 175.800 0.046 0.000 1.113 375 F CA 1.878 59.920 58.000 0.070 0.000 1.218 375 F CB -0.259 38.781 39.000 0.068 0.000 0.984 375 F HN 0.099 nan 8.300 nan 0.000 0.472 376 I N -0.436 120.134 120.570 0.001 0.000 2.676 376 I HA -0.087 4.083 4.170 -0.001 0.000 0.259 376 I C 2.039 178.149 176.117 -0.013 0.000 1.194 376 I CA 1.586 62.831 61.300 -0.092 0.000 1.473 376 I CB -0.894 37.104 38.000 -0.002 0.000 1.096 376 I HN 0.330 nan 8.210 nan 0.000 0.443 377 I N -1.024 119.606 120.570 0.100 0.000 3.427 377 I HA 0.138 4.308 4.170 -0.001 0.000 0.288 377 I C 1.324 177.456 176.117 0.026 0.000 1.249 377 I CA -0.128 61.248 61.300 0.127 0.000 1.421 377 I CB -0.275 37.879 38.000 0.257 0.000 1.086 377 I HN 0.101 nan 8.210 nan 0.000 0.448 378 S N 2.595 118.284 115.700 -0.019 0.000 2.670 378 S HA -0.008 4.461 4.470 -0.001 0.000 0.308 378 S C 0.664 175.224 174.600 -0.066 0.000 1.232 378 S CA 0.287 58.465 58.200 -0.038 0.000 1.126 378 S CB -0.605 62.558 63.200 -0.061 0.000 0.897 378 S HN 0.597 nan 8.310 nan 0.000 0.508 379 K N 2.173 122.549 120.400 -0.041 0.000 3.069 379 K HA -0.173 4.146 4.320 -0.001 0.000 0.267 379 K C -0.712 175.852 176.600 -0.061 0.000 1.082 379 K CA 1.123 57.382 56.287 -0.047 0.000 0.782 379 K CB -1.216 31.258 32.500 -0.043 0.000 1.230 379 K HN 0.595 nan 8.250 nan 0.000 0.488 380 D N -0.091 120.271 120.400 -0.063 0.000 2.412 380 D HA 0.182 4.822 4.640 -0.001 0.000 0.276 380 D C 0.542 176.794 176.300 -0.080 0.000 1.196 380 D CA -0.267 53.695 54.000 -0.064 0.000 0.905 380 D CB 0.852 41.617 40.800 -0.058 0.000 1.081 380 D HN 0.043 nan 8.370 nan 0.000 0.502 381 T N 1.286 115.767 114.554 -0.121 0.000 2.699 381 T HA -0.211 4.138 4.350 -0.001 0.000 0.268 381 T C 2.201 176.835 174.700 -0.110 0.000 1.036 381 T CA 2.255 64.216 62.100 -0.231 0.000 1.147 381 T CB 0.120 68.871 68.868 -0.196 0.000 0.862 381 T HN 0.525 nan 8.240 nan 0.000 0.446 382 R N 0.514 120.993 120.500 -0.035 0.000 2.115 382 R HA 0.185 4.525 4.340 -0.001 0.000 0.230 382 R C 2.229 178.549 176.300 0.033 0.000 1.111 382 R CA 1.395 57.509 56.100 0.023 0.000 0.976 382 R CB -1.363 28.936 30.300 -0.001 0.000 0.870 382 R HN 0.395 nan 8.270 nan 0.000 0.445 383 L N 0.620 121.831 121.223 -0.020 0.000 2.072 383 L HA 0.033 4.372 4.340 -0.001 0.000 0.205 383 L C 2.219 179.076 176.870 -0.022 0.000 1.079 383 L CA 1.887 56.679 54.840 -0.079 0.000 0.752 383 L CB -0.313 41.691 42.059 -0.092 0.000 0.906 383 L HN 0.356 nan 8.230 nan 0.000 0.436 384 K N -0.396 120.061 120.400 0.094 0.000 2.020 384 K HA -0.207 4.113 4.320 -0.001 0.000 0.212 384 K C 1.711 178.454 176.600 0.237 0.000 1.050 384 K CA 1.858 58.264 56.287 0.199 0.000 0.929 384 K CB -0.350 32.187 32.500 0.061 0.000 0.714 384 K HN 0.326 nan 8.250 nan 0.000 0.443 385 D N -0.469 120.096 120.400 0.276 0.000 2.264 385 D HA -0.150 4.490 4.640 -0.001 0.000 0.208 385 D C 1.610 178.137 176.300 0.379 0.000 0.966 385 D CA 0.818 55.077 54.000 0.432 0.000 0.864 385 D CB -0.088 41.016 40.800 0.506 0.000 0.933 385 D HN 0.227 nan 8.370 nan 0.000 0.499 386 Y N 0.343 120.697 120.300 0.091 0.000 2.206 386 Y HA -0.127 4.423 4.550 -0.001 0.000 0.292 386 Y C 1.835 177.752 175.900 0.029 0.000 1.123 386 Y CA 1.030 59.136 58.100 0.009 0.000 1.142 386 Y CB -0.498 37.863 38.460 -0.165 0.000 1.006 386 Y HN -0.208 nan 8.280 nan 0.000 0.518 387 F N 0.120 120.036 119.950 -0.058 0.000 2.126 387 F HA -0.215 4.312 4.527 -0.001 0.000 0.299 387 F C 2.290 177.966 175.800 -0.208 0.000 1.096 387 F CA 1.472 59.378 58.000 -0.157 0.000 1.255 387 F CB -0.964 38.035 39.000 -0.003 0.000 0.997 387 F HN 0.059 nan 8.300 nan 0.000 0.479 388 I N -2.320 118.232 120.570 -0.031 0.000 2.162 388 I HA -0.257 3.913 4.170 -0.001 0.000 0.238 388 I C 1.951 177.802 176.117 -0.442 0.000 1.076 388 I CA 1.510 62.585 61.300 -0.375 0.000 1.353 388 I CB -0.430 37.153 38.000 -0.695 0.000 1.063 388 I HN 0.097 nan 8.210 nan 0.000 0.408 389 W N -0.758 120.536 121.300 -0.010 0.000 2.762 389 W HA 0.173 4.833 4.660 -0.001 0.000 0.265 389 W C 0.844 177.382 176.519 0.032 0.000 1.263 389 W CA -0.243 57.107 57.345 0.008 0.000 1.411 389 W CB 0.087 29.560 29.460 0.022 0.000 1.065 389 W HN 0.053 nan 8.180 nan 0.000 0.609 390 N N 1.256 120.059 118.700 0.171 0.000 2.740 390 N HA -0.274 4.466 4.740 -0.001 0.000 0.248 390 N C -0.277 175.389 175.510 0.260 0.000 1.062 390 N CA 1.553 54.648 53.050 0.075 0.000 0.704 390 N CB -1.849 36.642 38.487 0.006 0.000 0.968 390 N HN 0.538 nan 8.380 nan 0.000 0.547 391 N N -2.116 116.794 118.700 0.350 0.000 2.778 391 N HA -0.227 4.513 4.740 -0.001 0.000 0.249 391 N C -0.452 175.181 175.510 0.204 0.000 1.069 391 N CA 1.237 54.447 53.050 0.267 0.000 0.831 391 N CB -0.852 37.766 38.487 0.219 0.000 1.142 391 N HN 0.569 nan 8.380 nan 0.000 0.573 392 N N 0.662 119.514 118.700 0.254 0.000 2.408 392 N HA 0.257 4.997 4.740 -0.001 0.000 0.260 392 N C -2.490 173.108 175.510 0.147 0.000 1.242 392 N CA -0.801 52.372 53.050 0.205 0.000 0.959 392 N CB 0.536 39.178 38.487 0.258 0.000 1.201 392 N HN -0.056 nan 8.380 nan 0.000 0.511 393 P HA 0.133 nan 4.420 nan 0.000 0.276 393 P C -0.117 177.060 177.300 -0.206 0.000 1.230 393 P CA 0.147 63.197 63.100 -0.082 0.000 0.776 393 P CB 0.300 31.966 31.700 -0.057 0.000 0.888 394 H N 0.762 119.394 119.070 -0.731 0.000 2.563 394 H HA -0.077 4.479 4.556 -0.001 0.000 0.272 394 H C 0.263 175.234 175.328 -0.595 0.000 1.005 394 H CA 0.672 55.903 56.048 -1.361 0.000 1.171 394 H CB -0.044 29.047 29.762 -1.118 0.000 1.351 394 H HN 0.566 nan 8.280 nan 0.000 0.602 395 D N -1.073 119.237 120.400 -0.150 0.000 2.407 395 D HA -0.015 4.625 4.640 -0.001 0.000 0.208 395 D C 0.800 177.132 176.300 0.054 0.000 1.083 395 D CA -0.144 53.847 54.000 -0.015 0.000 0.844 395 D CB 0.229 41.012 40.800 -0.028 0.000 0.967 395 D HN 0.087 nan 8.370 nan 0.000 0.506 396 Q N 0.689 120.536 119.800 0.078 0.000 2.414 396 Q HA 0.304 4.643 4.340 -0.001 0.000 0.206 396 Q C -2.206 173.918 176.000 0.206 0.000 1.058 396 Q CA -1.538 54.338 55.803 0.123 0.000 1.025 396 Q CB -0.142 28.666 28.738 0.118 0.000 1.196 396 Q HN 0.082 nan 8.270 nan 0.000 0.586 397 P HA 0.116 nan 4.420 nan 0.000 0.268 397 P C -2.410 175.013 177.300 0.205 0.000 1.204 397 P CA -0.917 62.271 63.100 0.147 0.000 0.768 397 P CB -0.342 31.406 31.700 0.080 0.000 0.842 398 P HA 0.097 nan 4.420 nan 0.000 0.268 398 P C -2.244 175.065 177.300 0.016 0.000 1.204 398 P CA -0.945 62.159 63.100 0.007 0.000 0.768 398 P CB -0.785 30.739 31.700 -0.294 0.000 0.842 399 P HA 0.105 nan 4.420 nan 0.000 0.275 399 P C -1.911 175.388 177.300 -0.002 0.000 1.227 399 P CA -1.662 61.463 63.100 0.043 0.000 0.781 399 P CB 0.127 31.870 31.700 0.072 0.000 0.906 400 P HA -0.156 nan 4.420 nan 0.000 0.221 400 P C 1.288 178.586 177.300 -0.004 0.000 1.145 400 P CA 1.733 64.829 63.100 -0.006 0.000 0.795 400 P CB -0.669 31.033 31.700 0.004 0.000 0.775 401 T N -3.726 110.830 114.554 0.004 0.000 3.055 401 T HA 0.123 4.473 4.350 -0.001 0.000 0.265 401 T C 1.312 176.006 174.700 -0.010 0.000 1.111 401 T CA 0.412 62.516 62.100 0.007 0.000 1.118 401 T CB -0.871 68.007 68.868 0.017 0.000 0.909 401 T HN 0.071 nan 8.240 nan 0.000 0.501 402 G N 0.347 109.126 108.800 -0.035 0.000 2.580 402 G HA2 0.516 4.476 3.960 -0.001 0.000 0.278 402 G HA3 0.516 4.476 3.960 -0.001 0.000 0.278 402 G C 0.623 175.475 174.900 -0.081 0.000 1.212 402 G CA -0.785 44.274 45.100 -0.069 0.000 0.939 402 G HN 0.316 nan 8.290 nan 0.000 0.513 403 L N 0.056 121.215 121.223 -0.107 0.000 2.217 403 L HA 0.033 4.372 4.340 -0.001 0.000 0.211 403 L C 2.752 179.516 176.870 -0.178 0.000 1.107 403 L CA 0.400 55.141 54.840 -0.166 0.000 0.783 403 L CB -0.236 41.677 42.059 -0.243 0.000 0.919 403 L HN 0.523 nan 8.230 nan 0.000 0.442 404 I N -0.212 120.259 120.570 -0.165 0.000 2.179 404 I HA -0.314 3.856 4.170 -0.001 0.000 0.242 404 I C 2.322 178.394 176.117 -0.074 0.000 1.088 404 I CA 1.174 62.415 61.300 -0.100 0.000 1.357 404 I CB -0.070 37.853 38.000 -0.128 0.000 1.051 404 I HN 0.184 nan 8.210 nan 0.000 0.409 405 I N 0.680 121.195 120.570 -0.093 0.000 2.353 405 I HA -0.209 3.961 4.170 -0.001 0.000 0.248 405 I C 2.393 178.465 176.117 -0.075 0.000 1.119 405 I CA 1.497 62.752 61.300 -0.075 0.000 1.417 405 I CB -1.127 36.837 38.000 -0.059 0.000 1.078 405 I HN 0.224 nan 8.210 nan 0.000 0.421 406 K N 0.674 121.021 120.400 -0.087 0.000 2.001 406 K HA -0.085 4.235 4.320 -0.001 0.000 0.208 406 K C 2.200 178.697 176.600 -0.172 0.000 1.048 406 K CA 1.119 57.355 56.287 -0.086 0.000 0.932 406 K CB -0.212 32.264 32.500 -0.041 0.000 0.715 406 K HN 0.214 nan 8.250 nan 0.000 0.437 407 L N 1.354 122.417 121.223 -0.267 0.000 2.083 407 L HA -0.207 4.133 4.340 -0.001 0.000 0.209 407 L C 1.875 178.643 176.870 -0.171 0.000 1.083 407 L CA 0.914 55.552 54.840 -0.338 0.000 0.752 407 L CB -0.549 41.288 42.059 -0.370 0.000 0.899 407 L HN 0.217 nan 8.230 nan 0.000 0.433 408 N N 0.377 119.028 118.700 -0.083 0.000 2.223 408 N HA -0.132 4.608 4.740 -0.001 0.000 0.185 408 N C 1.821 177.292 175.510 -0.064 0.000 1.016 408 N CA 1.476 54.499 53.050 -0.045 0.000 0.863 408 N CB -0.248 38.207 38.487 -0.054 0.000 0.983 408 N HN 0.318 nan 8.380 nan 0.000 0.429 409 A N 0.319 123.097 122.820 -0.071 0.000 2.016 409 A HA 0.037 4.356 4.320 -0.001 0.000 0.217 409 A C 2.382 179.933 177.584 -0.055 0.000 1.162 409 A CA 0.623 52.628 52.037 -0.053 0.000 0.662 409 A CB -0.354 18.622 19.000 -0.040 0.000 0.812 409 A HN 0.081 nan 8.150 nan 0.000 0.450 410 V N -0.058 119.807 119.914 -0.081 0.000 2.307 410 V HA -0.315 3.804 4.120 -0.001 0.000 0.245 410 V C 2.582 178.617 176.094 -0.099 0.000 1.045 410 V CA 2.211 64.463 62.300 -0.080 0.000 1.024 410 V CB -0.786 30.961 31.823 -0.126 0.000 0.651 410 V HN 0.571 nan 8.190 nan 0.000 0.449 411 M N -0.676 118.845 119.600 -0.131 0.000 2.088 411 M HA -0.230 4.250 4.480 -0.001 0.000 0.256 411 M C 2.175 178.444 176.300 -0.051 0.000 1.071 411 M CA 2.047 57.262 55.300 -0.142 0.000 1.097 411 M CB -0.471 32.068 32.600 -0.102 0.000 1.315 411 M HN 0.231 nan 8.290 nan 0.000 0.406 412 I N -0.257 120.297 120.570 -0.025 0.000 2.252 412 I HA -0.133 4.036 4.170 -0.001 0.000 0.245 412 I C 2.635 178.776 176.117 0.039 0.000 1.102 412 I CA 1.615 62.932 61.300 0.029 0.000 1.385 412 I CB -2.040 35.960 38.000 -0.001 0.000 1.064 412 I HN 0.342 nan 8.210 nan 0.000 0.414 413 G N 0.586 109.375 108.800 -0.018 0.000 2.476 413 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.218 413 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.218 413 G C 1.800 176.651 174.900 -0.082 0.000 1.164 413 G CA 1.174 46.243 45.100 -0.053 0.000 0.768 413 G HN 0.416 nan 8.290 nan 0.000 0.560 414 S N -0.292 115.362 115.700 -0.077 0.000 2.368 414 S HA -0.123 4.347 4.470 -0.001 0.000 0.224 414 S C 1.975 176.517 174.600 -0.097 0.000 1.029 414 S CA 1.178 59.316 58.200 -0.104 0.000 0.988 414 S CB -0.459 62.670 63.200 -0.118 0.000 0.838 414 S HN 0.520 nan 8.310 nan 0.000 0.462 415 Y N 2.701 122.917 120.300 -0.140 0.000 2.181 415 Y HA -0.101 4.448 4.550 -0.001 0.000 0.288 415 Y C 2.297 178.143 175.900 -0.091 0.000 1.146 415 Y CA 1.366 59.394 58.100 -0.120 0.000 1.164 415 Y CB -0.303 38.111 38.460 -0.077 0.000 0.982 415 Y HN 0.049 nan 8.280 nan 0.000 0.515 416 R N -0.135 120.268 120.500 -0.162 0.000 2.117 416 R HA -0.194 4.146 4.340 -0.001 0.000 0.243 416 R C 2.161 178.317 176.300 -0.241 0.000 1.143 416 R CA 1.945 57.922 56.100 -0.205 0.000 0.968 416 R CB -0.507 29.748 30.300 -0.075 0.000 0.863 416 R HN 0.412 nan 8.270 nan 0.000 0.444 417 L N 0.308 121.407 121.223 -0.208 0.000 2.270 417 L HA -0.013 4.327 4.340 -0.001 0.000 0.210 417 L C 2.276 179.035 176.870 -0.185 0.000 1.104 417 L CA 0.677 55.422 54.840 -0.159 0.000 0.804 417 L CB -0.190 41.794 42.059 -0.126 0.000 0.937 417 L HN 0.264 nan 8.230 nan 0.000 0.450 418 I N -3.961 116.433 120.570 -0.292 0.000 3.783 418 I HA 0.186 4.356 4.170 -0.001 0.000 0.310 418 I C 2.480 178.412 176.117 -0.310 0.000 1.274 418 I CA 0.584 61.678 61.300 -0.343 0.000 1.294 418 I CB -0.275 37.393 38.000 -0.553 0.000 1.051 418 I HN -0.031 nan 8.210 nan 0.000 0.435 419 A N 2.364 124.930 122.820 -0.424 0.000 1.883 419 A HA -0.092 4.228 4.320 -0.001 0.000 0.217 419 A C 2.370 179.934 177.584 -0.033 0.000 1.186 419 A CA 2.097 53.917 52.037 -0.362 0.000 0.624 419 A CB -1.611 16.983 19.000 -0.676 0.000 0.822 419 A HN 0.533 nan 8.150 nan 0.000 0.444 420 G N -0.873 107.896 108.800 -0.052 0.000 2.422 420 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.218 420 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.218 420 G C 0.758 175.697 174.900 0.064 0.000 1.140 420 G CA 0.170 45.276 45.100 0.010 0.000 0.775 420 G HN 0.568 nan 8.290 nan 0.000 0.545 421 Q N 1.238 121.090 119.800 0.086 0.000 2.274 421 Q HA -0.008 4.332 4.340 -0.001 0.000 0.280 421 Q C -0.330 175.780 176.000 0.184 0.000 1.047 421 Q CA -0.292 55.579 55.803 0.113 0.000 0.907 421 Q CB 0.558 29.343 28.738 0.078 0.000 1.171 421 Q HN 0.278 nan 8.270 nan 0.000 0.381 422 N N 5.123 123.887 118.700 0.105 0.000 2.434 422 N HA -0.009 4.730 4.740 -0.001 0.000 0.268 422 N C -1.677 173.897 175.510 0.106 0.000 1.256 422 N CA -1.353 51.743 53.050 0.077 0.000 0.914 422 N CB 0.690 39.204 38.487 0.045 0.000 1.088 422 N HN 0.265 nan 8.380 nan 0.000 0.478 423 P HA -0.119 nan 4.420 nan 0.000 0.228 423 P C 0.379 177.721 177.300 0.071 0.000 1.151 423 P CA 0.862 64.027 63.100 0.109 0.000 0.770 423 P CB 0.470 32.149 31.700 -0.035 0.000 0.786 424 E N -0.043 120.183 120.200 0.043 0.000 2.150 424 E HA -0.098 4.251 4.350 -0.001 0.000 0.193 424 E C 2.002 178.626 176.600 0.040 0.000 0.985 424 E CA 1.731 58.151 56.400 0.033 0.000 0.814 424 E CB -1.305 28.407 29.700 0.020 0.000 0.752 424 E HN 0.416 nan 8.360 nan 0.000 0.466 425 T N -0.474 114.110 114.554 0.049 0.000 3.051 425 T HA -0.087 4.263 4.350 -0.001 0.000 0.269 425 T C 1.894 176.625 174.700 0.051 0.000 1.127 425 T CA 0.437 62.564 62.100 0.046 0.000 1.107 425 T CB -0.223 68.673 68.868 0.046 0.000 0.898 425 T HN -0.007 nan 8.240 nan 0.000 0.517 426 L N 2.768 124.029 121.223 0.065 0.000 1.991 426 L HA -0.033 4.306 4.340 -0.001 0.000 0.221 426 L C -0.735 176.165 176.870 0.050 0.000 1.079 426 L CA 2.246 57.126 54.840 0.067 0.000 0.778 426 L CB -1.475 40.634 42.059 0.084 0.000 0.893 426 L HN 0.183 nan 8.230 nan 0.000 0.437 427 P HA -0.170 nan 4.420 nan 0.000 0.218 427 P C 0.447 177.765 177.300 0.031 0.000 1.146 427 P CA 1.445 64.566 63.100 0.034 0.000 0.813 427 P CB -0.044 31.674 31.700 0.029 0.000 0.778 428 Q N -1.459 118.359 119.800 0.031 0.000 2.211 428 Q HA 0.206 4.545 4.340 -0.001 0.000 0.301 428 Q C -0.208 175.809 176.000 0.029 0.000 0.884 428 Q CA -0.140 55.679 55.803 0.027 0.000 1.115 428 Q CB 0.007 28.758 28.738 0.023 0.000 1.217 428 Q HN -0.030 nan 8.270 nan 0.000 0.451 429 N N 0.652 119.373 118.700 0.034 0.000 2.726 429 N HA 0.143 4.882 4.740 -0.001 0.000 0.253 429 N C -2.261 173.274 175.510 0.041 0.000 1.530 429 N CA -1.714 51.357 53.050 0.036 0.000 0.772 429 N CB 1.173 39.685 38.487 0.042 0.000 1.220 429 N HN -0.007 nan 8.380 nan 0.000 0.508 430 P HA -0.072 nan 4.420 nan 0.000 0.218 430 P C 1.144 178.484 177.300 0.068 0.000 1.149 430 P CA 1.313 64.441 63.100 0.047 0.000 0.817 430 P CB 0.384 32.103 31.700 0.031 0.000 0.785 431 E N 0.684 120.916 120.200 0.054 0.000 2.047 431 E HA -0.176 4.174 4.350 -0.001 0.000 0.191 431 E C 2.004 178.658 176.600 0.090 0.000 0.987 431 E CA 1.428 57.873 56.400 0.075 0.000 0.799 431 E CB -1.536 28.194 29.700 0.050 0.000 0.752 431 E HN 0.188 nan 8.360 nan 0.000 0.449 432 L N 0.681 121.931 121.223 0.046 0.000 2.017 432 L HA 0.089 4.429 4.340 -0.001 0.000 0.208 432 L C 2.783 179.657 176.870 0.007 0.000 1.073 432 L CA 2.567 57.411 54.840 0.006 0.000 0.745 432 L CB -0.886 41.181 42.059 0.013 0.000 0.894 432 L HN 0.330 nan 8.230 nan 0.000 0.432 433 A N -1.375 121.471 122.820 0.044 0.000 1.940 433 A HA -0.294 4.025 4.320 -0.001 0.000 0.219 433 A C 2.420 180.030 177.584 0.044 0.000 1.176 433 A CA 1.798 53.860 52.037 0.042 0.000 0.631 433 A CB -1.145 17.889 19.000 0.056 0.000 0.814 433 A HN 0.780 nan 8.150 nan 0.000 0.446 434 H N -0.017 119.048 119.070 -0.009 0.000 2.326 434 H HA -0.033 4.523 4.556 -0.001 0.000 0.301 434 H C 1.918 177.233 175.328 -0.021 0.000 1.081 434 H CA 1.827 57.873 56.048 -0.004 0.000 1.334 434 H CB -0.186 29.585 29.762 0.015 0.000 1.385 434 H HN 0.422 nan 8.280 nan 0.000 0.504 435 L N 0.356 121.528 121.223 -0.085 0.000 2.083 435 L HA -0.172 4.168 4.340 -0.001 0.000 0.209 435 L C 2.862 179.604 176.870 -0.214 0.000 1.083 435 L CA 0.809 55.551 54.840 -0.164 0.000 0.752 435 L CB -0.331 41.679 42.059 -0.081 0.000 0.899 435 L HN 0.270 nan 8.230 nan 0.000 0.433 436 I N -0.522 119.943 120.570 -0.175 0.000 2.179 436 I HA -0.309 3.860 4.170 -0.001 0.000 0.242 436 I C 2.636 178.641 176.117 -0.185 0.000 1.088 436 I CA 1.156 62.359 61.300 -0.162 0.000 1.357 436 I CB -0.089 37.862 38.000 -0.081 0.000 1.051 436 I HN 0.266 nan 8.210 nan 0.000 0.409 437 Q N 0.181 119.869 119.800 -0.187 0.000 2.224 437 Q HA -0.108 4.232 4.340 -0.001 0.000 0.203 437 Q C 2.099 177.895 176.000 -0.340 0.000 0.970 437 Q CA 1.186 56.859 55.803 -0.217 0.000 0.865 437 Q CB -0.116 28.533 28.738 -0.148 0.000 0.922 437 Q HN 0.344 nan 8.270 nan 0.000 0.445 438 V N 0.049 119.746 119.914 -0.361 0.000 2.295 438 V HA -0.268 3.852 4.120 -0.001 0.000 0.246 438 V C 2.036 177.882 176.094 -0.414 0.000 1.049 438 V CA 1.722 63.828 62.300 -0.323 0.000 1.024 438 V CB -0.474 31.224 31.823 -0.209 0.000 0.648 438 V HN 0.364 nan 8.190 nan 0.000 0.447 439 I N -0.420 119.904 120.570 -0.409 0.000 2.127 439 I HA -0.282 3.888 4.170 -0.001 0.000 0.241 439 I C 2.288 177.917 176.117 -0.813 0.000 1.075 439 I CA 1.912 62.848 61.300 -0.606 0.000 1.334 439 I CB -0.349 37.358 38.000 -0.489 0.000 1.040 439 I HN 0.212 nan 8.210 nan 0.000 0.405 440 I N 0.240 120.514 120.570 -0.495 0.000 2.163 440 I HA -0.309 3.860 4.170 -0.001 0.000 0.243 440 I C 2.678 178.578 176.117 -0.361 0.000 1.085 440 I CA 1.558 62.680 61.300 -0.296 0.000 1.347 440 I CB -0.323 37.593 38.000 -0.140 0.000 1.044 440 I HN 0.119 nan 8.210 nan 0.000 0.408 441 R N -0.316 119.830 120.500 -0.590 0.000 2.115 441 R HA -0.093 4.247 4.340 -0.001 0.000 0.230 441 R C 2.252 178.059 176.300 -0.821 0.000 1.111 441 R CA 1.680 57.264 56.100 -0.860 0.000 0.976 441 R CB -0.421 28.936 30.300 -1.571 0.000 0.870 441 R HN 0.332 nan 8.270 nan 0.000 0.445 442 T N 0.705 114.831 114.554 -0.712 0.000 2.821 442 T HA -0.085 4.265 4.350 -0.001 0.000 0.267 442 T C 1.254 175.828 174.700 -0.210 0.000 1.046 442 T CA 1.058 62.929 62.100 -0.381 0.000 1.139 442 T CB -0.183 68.466 68.868 -0.366 0.000 0.871 442 T HN 0.036 nan 8.240 nan 0.000 0.454 443 F N 1.843 121.666 119.950 -0.212 0.000 2.095 443 F HA -0.053 4.473 4.527 -0.001 0.000 0.298 443 F C 2.307 178.002 175.800 -0.174 0.000 1.104 443 F CA 0.561 58.459 58.000 -0.170 0.000 1.232 443 F CB -1.186 37.733 39.000 -0.135 0.000 0.987 443 F HN 0.154 nan 8.300 nan 0.000 0.475 444 D N -0.166 120.243 120.400 0.015 0.000 2.097 444 D HA -0.171 4.469 4.640 -0.001 0.000 0.195 444 D C 2.226 178.502 176.300 -0.040 0.000 0.989 444 D CA 0.788 54.770 54.000 -0.030 0.000 0.827 444 D CB -0.200 40.557 40.800 -0.071 0.000 0.966 444 D HN 0.082 nan 8.370 nan 0.000 0.456 445 L N 0.206 121.393 121.223 -0.061 0.000 2.017 445 L HA -0.062 4.277 4.340 -0.001 0.000 0.208 445 L C 2.064 178.875 176.870 -0.098 0.000 1.073 445 L CA 1.468 56.282 54.840 -0.044 0.000 0.745 445 L CB -0.608 41.437 42.059 -0.024 0.000 0.894 445 L HN 0.172 nan 8.230 nan 0.000 0.432 446 L N -0.768 120.372 121.223 -0.138 0.000 2.042 446 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 446 L C 2.512 179.253 176.870 -0.215 0.000 1.076 446 L CA 1.343 56.054 54.840 -0.215 0.000 0.749 446 L CB -1.375 40.523 42.059 -0.270 0.000 0.893 446 L HN 0.480 nan 8.230 nan 0.000 0.432 447 G N 0.024 108.736 108.800 -0.147 0.000 2.476 447 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.218 447 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.218 447 G C 1.618 176.481 174.900 -0.062 0.000 1.164 447 G CA 0.863 45.895 45.100 -0.113 0.000 0.768 447 G HN 0.237 nan 8.290 nan 0.000 0.560 448 L N -0.254 120.951 121.223 -0.029 0.000 2.109 448 L HA 0.139 4.479 4.340 -0.001 0.000 0.207 448 L C 2.865 179.762 176.870 0.044 0.000 1.086 448 L CA 0.418 55.269 54.840 0.018 0.000 0.760 448 L CB -0.169 41.913 42.059 0.039 0.000 0.910 448 L HN 0.179 nan 8.230 nan 0.000 0.437 449 L N -0.713 120.517 121.223 0.012 0.000 2.093 449 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 449 L C 0.866 177.789 176.870 0.089 0.000 1.085 449 L CA 0.690 55.561 54.840 0.053 0.000 0.755 449 L CB -0.213 41.827 42.059 -0.032 0.000 0.904 449 L HN 0.164 nan 8.230 nan 0.000 0.435 450 L N 0.830 122.031 121.223 -0.037 0.000 2.384 450 L HA 0.014 4.354 4.340 -0.001 0.000 0.258 450 L C 1.283 178.133 176.870 -0.034 0.000 1.266 450 L CA -0.218 54.568 54.840 -0.090 0.000 1.162 450 L CB -0.279 41.652 42.059 -0.213 0.000 1.375 450 L HN 0.315 nan 8.230 nan 0.000 0.420 451 H N -1.705 117.370 119.070 0.007 0.000 2.547 451 H HA 0.149 4.705 4.556 -0.001 0.000 0.272 451 H C 0.104 175.457 175.328 0.041 0.000 0.971 451 H CA -0.019 56.045 56.048 0.026 0.000 1.245 451 H CB 0.219 30.008 29.762 0.045 0.000 1.440 451 H HN 0.566 nan 8.280 nan 0.000 0.540 452 D N -1.297 118.873 120.400 -0.383 0.000 2.744 452 D HA 0.224 4.864 4.640 -0.001 0.000 0.304 452 D C 0.781 177.022 176.300 -0.098 0.000 1.179 452 D CA -0.615 53.280 54.000 -0.174 0.000 1.024 452 D CB 0.868 41.580 40.800 -0.146 0.000 1.453 452 D HN -0.058 nan 8.370 nan 0.000 0.529 453 S N -0.592 115.093 115.700 -0.025 0.000 2.359 453 S HA -0.160 4.310 4.470 -0.001 0.000 0.224 453 S C 1.107 175.739 174.600 0.052 0.000 1.035 453 S CA 1.552 59.761 58.200 0.015 0.000 1.018 453 S CB -0.478 62.736 63.200 0.023 0.000 0.876 453 S HN 0.500 nan 8.310 nan 0.000 0.448 454 D N 1.321 121.766 120.400 0.074 0.000 2.144 454 D HA -0.009 4.631 4.640 -0.001 0.000 0.200 454 D C 2.201 178.686 176.300 0.308 0.000 0.978 454 D CA 1.134 55.236 54.000 0.169 0.000 0.833 454 D CB -0.204 40.690 40.800 0.157 0.000 0.961 454 D HN 0.415 nan 8.370 nan 0.000 0.470 455 A N 1.355 124.280 122.820 0.174 0.000 1.873 455 A HA -0.128 4.191 4.320 -0.001 0.000 0.215 455 A C 2.337 179.947 177.584 0.045 0.000 1.186 455 A CA 0.798 52.879 52.037 0.074 0.000 0.616 455 A CB -0.718 18.205 19.000 -0.129 0.000 0.823 455 A HN 0.122 nan 8.150 nan 0.000 0.442 456 I N -0.391 120.198 120.570 0.032 0.000 2.208 456 I HA -0.262 3.907 4.170 -0.001 0.000 0.245 456 I C 2.148 178.355 176.117 0.151 0.000 1.097 456 I CA 1.777 63.120 61.300 0.070 0.000 1.363 456 I CB -0.438 37.583 38.000 0.036 0.000 1.051 456 I HN 0.264 nan 8.210 nan 0.000 0.413 457 D N 0.824 121.305 120.400 0.134 0.000 2.097 457 D HA -0.129 4.511 4.640 -0.001 0.000 0.195 457 D C 2.210 178.601 176.300 0.153 0.000 0.989 457 D CA 1.549 55.630 54.000 0.135 0.000 0.827 457 D CB -0.429 40.445 40.800 0.124 0.000 0.966 457 D HN 0.312 nan 8.370 nan 0.000 0.456 458 G N -0.048 108.875 108.800 0.205 0.000 2.529 458 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.219 458 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.219 458 G C 1.556 176.496 174.900 0.066 0.000 1.177 458 G CA 0.852 46.040 45.100 0.147 0.000 0.773 458 G HN 0.313 nan 8.290 nan 0.000 0.573 459 F N 1.357 121.261 119.950 -0.077 0.000 2.091 459 F HA -0.146 4.381 4.527 -0.000 0.000 0.299 459 F C 2.749 178.527 175.800 -0.037 0.000 1.103 459 F CA 1.736 59.689 58.000 -0.079 0.000 1.228 459 F CB -0.425 38.530 39.000 -0.075 0.000 0.984 459 F HN 0.022 nan 8.300 nan 0.000 0.477 460 V N 0.844 120.763 119.914 0.007 0.000 2.358 460 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 460 V C 2.364 178.401 176.094 -0.095 0.000 1.047 460 V CA 2.173 64.426 62.300 -0.078 0.000 1.035 460 V CB -0.705 31.148 31.823 0.050 0.000 0.658 460 V HN 0.280 nan 8.190 nan 0.000 0.452 461 R N -0.008 120.473 120.500 -0.033 0.000 2.235 461 R HA 0.014 4.354 4.340 -0.001 0.000 0.213 461 R C 1.859 178.122 176.300 -0.062 0.000 1.059 461 R CA 0.995 57.081 56.100 -0.023 0.000 0.997 461 R CB -0.214 30.104 30.300 0.030 0.000 0.884 461 R HN 0.385 nan 8.270 nan 0.000 0.462 462 S N 0.560 116.189 115.700 -0.118 0.000 2.597 462 S HA 0.024 4.493 4.470 -0.001 0.000 0.224 462 S C -0.226 174.243 174.600 -0.218 0.000 0.955 462 S CA -0.100 58.014 58.200 -0.144 0.000 0.933 462 S CB 0.185 63.301 63.200 -0.140 0.000 0.788 462 S HN 0.234 nan 8.310 nan 0.000 0.488 463 D N 0.568 120.821 120.400 -0.245 0.000 2.907 463 D HA -0.131 4.509 4.640 -0.001 0.000 0.226 463 D C 1.144 177.201 176.300 -0.404 0.000 1.141 463 D CA 0.735 54.582 54.000 -0.256 0.000 0.779 463 D CB -1.281 39.424 40.800 -0.159 0.000 1.095 463 D HN 0.518 nan 8.370 nan 0.000 0.430 464 G N -0.170 108.154 108.800 -0.794 0.000 2.440 464 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.218 464 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.218 464 G C 1.785 176.332 174.900 -0.588 0.000 1.154 464 G CA 1.157 45.452 45.100 -1.341 0.000 0.767 464 G HN 0.404 nan 8.290 nan 0.000 0.552 465 V N 1.389 121.084 119.914 -0.365 0.000 2.358 465 V HA -0.034 4.086 4.120 -0.001 0.000 0.246 465 V C 3.126 179.141 176.094 -0.130 0.000 1.047 465 V CA 1.936 64.167 62.300 -0.115 0.000 1.035 465 V CB -0.922 30.911 31.823 0.016 0.000 0.658 465 V HN 0.446 nan 8.190 nan 0.000 0.452 466 G N -0.408 108.304 108.800 -0.145 0.000 2.422 466 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.218 466 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.218 466 G C 1.772 176.574 174.900 -0.164 0.000 1.146 466 G CA 1.062 46.077 45.100 -0.141 0.000 0.769 466 G HN 0.592 nan 8.290 nan 0.000 0.547 467 A N 0.932 123.655 122.820 -0.162 0.000 1.858 467 A HA 0.000 4.320 4.320 -0.001 0.000 0.216 467 A C 2.409 179.942 177.584 -0.085 0.000 1.190 467 A CA 1.449 53.411 52.037 -0.125 0.000 0.617 467 A CB -0.420 18.514 19.000 -0.109 0.000 0.827 467 A HN 0.367 nan 8.150 nan 0.000 0.443 468 I N -0.558 119.987 120.570 -0.042 0.000 2.179 468 I HA -0.230 3.939 4.170 -0.001 0.000 0.242 468 I C 2.606 178.643 176.117 -0.133 0.000 1.088 468 I CA 1.793 63.070 61.300 -0.038 0.000 1.357 468 I CB -0.704 37.208 38.000 -0.148 0.000 1.051 468 I HN 0.251 nan 8.210 nan 0.000 0.409 469 T N 0.006 114.451 114.554 -0.181 0.000 2.746 469 T HA -0.171 4.179 4.350 -0.001 0.000 0.267 469 T C 1.911 176.373 174.700 -0.398 0.000 1.039 469 T CA 2.031 63.994 62.100 -0.228 0.000 1.142 469 T CB -0.375 68.370 68.868 -0.205 0.000 0.866 469 T HN 0.385 nan 8.240 nan 0.000 0.444 470 T N 1.746 116.073 114.554 -0.378 0.000 2.708 470 T HA -0.081 4.268 4.350 -0.001 0.000 0.266 470 T C 2.158 176.447 174.700 -0.686 0.000 1.037 470 T CA 1.012 62.815 62.100 -0.496 0.000 1.146 470 T CB -0.550 68.080 68.868 -0.396 0.000 0.865 470 T HN 0.150 nan 8.240 nan 0.000 0.435 471 V N 2.082 121.682 119.914 -0.523 0.000 2.427 471 V HA -0.101 4.019 4.120 -0.001 0.000 0.248 471 V C 2.601 178.631 176.094 -0.107 0.000 1.051 471 V CA 1.570 63.594 62.300 -0.459 0.000 1.048 471 V CB -0.660 31.137 31.823 -0.044 0.000 0.666 471 V HN 0.568 nan 8.190 nan 0.000 0.456 472 V N -2.000 117.906 119.914 -0.013 0.000 3.592 472 V HA -0.069 4.050 4.120 -0.001 0.000 0.272 472 V C 1.797 178.005 176.094 0.190 0.000 1.228 472 V CA 1.068 63.436 62.300 0.113 0.000 1.173 472 V CB -0.912 30.949 31.823 0.064 0.000 0.873 472 V HN 0.567 nan 8.190 nan 0.000 0.476 473 Q N -0.347 119.509 119.800 0.094 0.000 2.224 473 Q HA -0.032 4.307 4.340 -0.001 0.000 0.203 473 Q C 0.557 176.720 176.000 0.272 0.000 0.970 473 Q CA 0.940 56.865 55.803 0.205 0.000 0.865 473 Q CB -0.050 28.725 28.738 0.061 0.000 0.922 473 Q HN 0.808 nan 8.270 nan 0.000 0.445 474 Y N 3.100 123.542 120.300 0.236 0.000 2.465 474 Y HA 0.051 4.601 4.550 -0.001 0.000 0.331 474 Y C -1.967 174.031 175.900 0.162 0.000 1.102 474 Y CA -2.607 55.633 58.100 0.233 0.000 1.358 474 Y CB 0.841 39.463 38.460 0.270 0.000 1.213 474 Y HN -0.008 nan 8.280 nan 0.000 0.525 475 P HA 0.010 nan 4.420 nan 0.000 0.241 475 P C -1.169 176.032 177.300 -0.165 0.000 1.760 475 P CA 0.323 63.279 63.100 -0.240 0.000 1.081 475 P CB -0.127 31.417 31.700 -0.260 0.000 1.975 476 N N 2.570 121.323 118.700 0.090 0.000 2.410 476 N HA 0.125 4.864 4.740 -0.001 0.000 0.287 476 N C 0.444 176.054 175.510 0.167 0.000 1.044 476 N CA -0.406 52.751 53.050 0.178 0.000 0.881 476 N CB 1.210 39.895 38.487 0.330 0.000 1.405 476 N HN -0.188 nan 8.380 nan 0.000 0.490 477 N N 2.209 120.997 118.700 0.146 0.000 2.188 477 N HA -0.096 4.643 4.740 -0.001 0.000 0.184 477 N C 0.517 176.100 175.510 0.122 0.000 1.018 477 N CA 1.001 54.151 53.050 0.165 0.000 0.858 477 N CB 0.078 38.663 38.487 0.163 0.000 0.989 477 N HN 0.604 nan 8.380 nan 0.000 0.426 478 D N 0.584 121.047 120.400 0.105 0.000 2.144 478 D HA -0.108 4.532 4.640 -0.001 0.000 0.199 478 D C 2.023 178.384 176.300 0.101 0.000 0.984 478 D CA 0.367 54.418 54.000 0.084 0.000 0.834 478 D CB -0.155 40.684 40.800 0.066 0.000 0.955 478 D HN 0.224 nan 8.370 nan 0.000 0.465 479 L N 0.108 121.413 121.223 0.135 0.000 2.072 479 L HA -0.073 4.267 4.340 -0.001 0.000 0.205 479 L C 2.205 179.190 176.870 0.192 0.000 1.079 479 L CA 0.822 55.779 54.840 0.195 0.000 0.752 479 L CB -0.045 42.145 42.059 0.218 0.000 0.906 479 L HN -0.055 nan 8.230 nan 0.000 0.436 480 I N -0.539 120.095 120.570 0.107 0.000 2.179 480 I HA -0.298 3.871 4.170 -0.001 0.000 0.242 480 I C 2.707 178.775 176.117 -0.081 0.000 1.088 480 I CA 1.173 62.466 61.300 -0.011 0.000 1.357 480 I CB -0.374 37.565 38.000 -0.101 0.000 1.051 480 I HN 0.184 nan 8.210 nan 0.000 0.409 481 R N 0.558 121.036 120.500 -0.037 0.000 2.103 481 R HA -0.214 4.125 4.340 -0.001 0.000 0.242 481 R C 2.350 178.622 176.300 -0.047 0.000 1.142 481 R CA 1.803 57.884 56.100 -0.032 0.000 0.960 481 R CB -0.414 29.898 30.300 0.021 0.000 0.858 481 R HN 0.428 nan 8.270 nan 0.000 0.439 482 A N -0.074 122.744 122.820 -0.003 0.000 1.930 482 A HA 0.016 4.336 4.320 -0.001 0.000 0.215 482 A C 2.292 179.708 177.584 -0.279 0.000 1.176 482 A CA 1.361 53.402 52.037 0.005 0.000 0.632 482 A CB -0.749 18.377 19.000 0.211 0.000 0.819 482 A HN 0.471 nan 8.150 nan 0.000 0.445 483 G N -0.500 107.999 108.800 -0.502 0.000 2.459 483 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.217 483 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.217 483 G C 1.586 176.147 174.900 -0.564 0.000 1.183 483 G CA 1.412 45.887 45.100 -1.042 0.000 0.776 483 G HN 0.508 nan 8.290 nan 0.000 0.552 484 C N 0.214 119.314 119.300 -0.334 0.000 2.422 484 C HA 0.069 4.528 4.460 -0.001 0.000 0.279 484 C C 2.701 177.573 174.990 -0.196 0.000 1.305 484 C CA 1.007 59.870 59.018 -0.257 0.000 1.757 484 C CB -0.672 26.949 27.740 -0.199 0.000 1.962 484 C HN 0.582 nan 8.230 nan 0.000 0.499 485 K N 0.635 120.939 120.400 -0.160 0.000 2.063 485 K HA -0.197 4.123 4.320 -0.001 0.000 0.208 485 K C 1.950 178.478 176.600 -0.120 0.000 1.048 485 K CA 1.384 57.615 56.287 -0.094 0.000 0.928 485 K CB -0.305 32.162 32.500 -0.054 0.000 0.713 485 K HN 0.372 nan 8.250 nan 0.000 0.442 486 L N 1.422 122.522 121.223 -0.204 0.000 2.109 486 L HA -0.058 4.282 4.340 -0.001 0.000 0.207 486 L C 1.909 178.695 176.870 -0.139 0.000 1.086 486 L CA 1.264 55.982 54.840 -0.203 0.000 0.760 486 L CB -0.252 41.626 42.059 -0.302 0.000 0.910 486 L HN 0.210 nan 8.230 nan 0.000 0.437 487 L N -1.318 119.806 121.223 -0.165 0.000 2.012 487 L HA -0.242 4.097 4.340 -0.001 0.000 0.210 487 L C 2.484 179.420 176.870 0.109 0.000 1.073 487 L CA 1.198 55.988 54.840 -0.083 0.000 0.748 487 L CB -0.792 41.047 42.059 -0.367 0.000 0.891 487 L HN 0.337 nan 8.230 nan 0.000 0.431 488 L N 0.077 121.315 121.223 0.025 0.000 2.013 488 L HA -0.297 4.042 4.340 -0.001 0.000 0.212 488 L C 2.592 179.480 176.870 0.030 0.000 1.073 488 L CA 1.979 56.842 54.840 0.038 0.000 0.753 488 L CB -0.733 41.286 42.059 -0.068 0.000 0.890 488 L HN 0.331 nan 8.230 nan 0.000 0.432 489 Q N -1.007 118.792 119.800 -0.002 0.000 2.226 489 Q HA -0.140 4.199 4.340 -0.001 0.000 0.204 489 Q C 1.683 177.685 176.000 0.004 0.000 0.975 489 Q CA 2.036 57.831 55.803 -0.014 0.000 0.866 489 Q CB -0.023 28.684 28.738 -0.052 0.000 0.915 489 Q HN 0.592 nan 8.270 nan 0.000 0.440 490 V N -2.264 117.679 119.914 0.048 0.000 3.621 490 V HA 0.144 4.264 4.120 -0.001 0.000 0.285 490 V C 1.692 177.850 176.094 0.106 0.000 1.346 490 V CA 0.601 62.955 62.300 0.090 0.000 1.104 490 V CB 0.079 32.010 31.823 0.180 0.000 0.913 490 V HN 0.344 nan 8.190 nan 0.000 0.432 491 S N 0.180 115.932 115.700 0.087 0.000 2.442 491 S HA -0.169 4.301 4.470 -0.001 0.000 0.236 491 S C 1.254 175.791 174.600 -0.105 0.000 1.007 491 S CA 1.471 59.652 58.200 -0.032 0.000 0.965 491 S CB -0.535 62.609 63.200 -0.093 0.000 0.773 491 S HN 0.596 nan 8.310 nan 0.000 0.504 492 D N 2.180 122.553 120.400 -0.045 0.000 2.328 492 D HA 0.387 5.027 4.640 -0.001 0.000 0.226 492 D C 0.533 176.830 176.300 -0.005 0.000 1.066 492 D CA 0.240 54.219 54.000 -0.035 0.000 0.861 492 D CB 0.067 40.856 40.800 -0.018 0.000 0.912 492 D HN 0.572 nan 8.370 nan 0.000 0.521 493 A N 0.702 123.528 122.820 0.011 0.000 2.520 493 A HA 0.019 4.338 4.320 -0.001 0.000 0.245 493 A C 1.341 178.939 177.584 0.023 0.000 1.072 493 A CA -0.010 52.047 52.037 0.034 0.000 0.761 493 A CB 0.471 19.511 19.000 0.066 0.000 1.004 493 A HN -0.005 nan 8.150 nan 0.000 0.499 494 K N 2.342 122.759 120.400 0.028 0.000 2.288 494 K HA -0.056 4.264 4.320 -0.001 0.000 0.201 494 K C 1.948 178.569 176.600 0.035 0.000 1.048 494 K CA 1.118 57.420 56.287 0.026 0.000 0.956 494 K CB -0.048 32.463 32.500 0.018 0.000 0.746 494 K HN 0.799 nan 8.250 nan 0.000 0.461 495 A N 1.049 123.894 122.820 0.042 0.000 2.125 495 A HA -0.087 4.233 4.320 -0.001 0.000 0.219 495 A C 1.843 179.455 177.584 0.046 0.000 1.156 495 A CA 0.956 53.021 52.037 0.046 0.000 0.671 495 A CB -0.455 18.575 19.000 0.051 0.000 0.794 495 A HN 0.193 nan 8.150 nan 0.000 0.459 496 L N -1.012 120.235 121.223 0.040 0.000 2.549 496 L HA -0.110 4.229 4.340 -0.001 0.000 0.229 496 L C 2.731 179.630 176.870 0.048 0.000 1.158 496 L CA 0.552 55.413 54.840 0.035 0.000 0.842 496 L CB -0.245 41.814 42.059 -0.000 0.000 0.952 496 L HN 0.438 nan 8.230 nan 0.000 0.452 497 A N -0.319 122.541 122.820 0.067 0.000 2.066 497 A HA -0.136 4.184 4.320 -0.001 0.000 0.218 497 A C 2.156 179.856 177.584 0.193 0.000 1.157 497 A CA 1.250 53.374 52.037 0.144 0.000 0.670 497 A CB -0.085 18.989 19.000 0.124 0.000 0.804 497 A HN 0.245 nan 8.150 nan 0.000 0.453 498 K N -0.492 119.970 120.400 0.105 0.000 2.354 498 K HA 0.110 4.430 4.320 -0.001 0.000 0.194 498 K C -0.044 176.591 176.600 0.059 0.000 1.038 498 K CA 0.444 56.770 56.287 0.065 0.000 1.052 498 K CB 0.499 33.019 32.500 0.034 0.000 0.861 498 K HN 0.370 nan 8.250 nan 0.000 0.535 499 T N 2.895 117.491 114.554 0.070 0.000 2.884 499 T HA 0.206 4.556 4.350 -0.001 0.000 0.298 499 T C -2.549 172.193 174.700 0.069 0.000 0.998 499 T CA -1.592 60.538 62.100 0.049 0.000 1.124 499 T CB 0.881 69.774 68.868 0.041 0.000 0.931 499 T HN -0.139 nan 8.240 nan 0.000 0.531 500 P HA 0.166 nan 4.420 nan 0.000 0.261 500 P C -0.056 177.281 177.300 0.061 0.000 1.203 500 P CA 0.131 63.260 63.100 0.049 0.000 0.767 500 P CB 0.199 31.911 31.700 0.020 0.000 0.785 501 L N 2.441 123.716 121.223 0.088 0.000 2.808 501 L HA 0.135 4.475 4.340 -0.001 0.000 0.246 501 L C 1.493 178.413 176.870 0.083 0.000 1.153 501 L CA 0.184 55.077 54.840 0.089 0.000 0.956 501 L CB -0.034 42.081 42.059 0.094 0.000 1.270 501 L HN 0.205 nan 8.230 nan 0.000 0.528 502 E N 0.489 120.732 120.200 0.071 0.000 2.204 502 E HA -0.140 4.209 4.350 -0.001 0.000 0.195 502 E C 1.619 178.254 176.600 0.058 0.000 0.990 502 E CA 1.019 57.456 56.400 0.062 0.000 0.821 502 E CB 0.078 29.808 29.700 0.050 0.000 0.750 502 E HN 0.416 nan 8.360 nan 0.000 0.477 503 N N -0.681 118.050 118.700 0.052 0.000 2.482 503 N HA 0.114 4.854 4.740 -0.001 0.000 0.179 503 N C 1.775 177.331 175.510 0.076 0.000 1.039 503 N CA 0.295 53.375 53.050 0.050 0.000 0.884 503 N CB 0.280 38.775 38.487 0.014 0.000 1.113 503 N HN 0.125 nan 8.380 nan 0.000 0.440 504 I N 1.235 121.845 120.570 0.067 0.000 2.142 504 I HA -0.243 3.927 4.170 -0.001 0.000 0.240 504 I C 2.236 178.452 176.117 0.166 0.000 1.078 504 I CA 0.846 62.201 61.300 0.091 0.000 1.343 504 I CB -0.127 37.911 38.000 0.063 0.000 1.046 504 I HN 0.022 nan 8.210 nan 0.000 0.405 505 L N 1.301 122.618 121.223 0.158 0.000 1.989 505 L HA -0.134 4.206 4.340 -0.001 0.000 0.211 505 L C -0.408 176.547 176.870 0.143 0.000 1.071 505 L CA 2.486 57.430 54.840 0.174 0.000 0.749 505 L CB -1.919 40.229 42.059 0.147 0.000 0.890 505 L HN 0.077 nan 8.230 nan 0.000 0.431 506 P HA -0.224 nan 4.420 nan 0.000 0.216 506 P C 1.769 179.141 177.300 0.119 0.000 1.150 506 P CA 1.433 64.597 63.100 0.108 0.000 0.837 506 P CB -0.219 31.539 31.700 0.098 0.000 0.786 507 F N 0.305 120.263 119.950 0.013 0.000 2.102 507 F HA -0.153 4.373 4.527 -0.001 0.000 0.298 507 F C 1.945 177.737 175.800 -0.013 0.000 1.105 507 F CA 1.453 59.451 58.000 -0.004 0.000 1.239 507 F CB -0.910 38.076 39.000 -0.023 0.000 0.991 507 F HN -0.274 nan 8.300 nan 0.000 0.474 508 L N -0.040 121.193 121.223 0.017 0.000 2.079 508 L HA -0.249 4.090 4.340 -0.001 0.000 0.210 508 L C 2.511 179.315 176.870 -0.110 0.000 1.081 508 L CA 1.199 55.971 54.840 -0.114 0.000 0.752 508 L CB -0.921 41.125 42.059 -0.021 0.000 0.896 508 L HN 0.264 nan 8.230 nan 0.000 0.433 509 L N -0.546 120.665 121.223 -0.019 0.000 2.012 509 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 509 L C 2.878 179.722 176.870 -0.042 0.000 1.073 509 L CA 1.326 56.170 54.840 0.008 0.000 0.748 509 L CB -0.484 41.611 42.059 0.060 0.000 0.891 509 L HN 0.215 nan 8.230 nan 0.000 0.431 510 R N -0.025 120.418 120.500 -0.095 0.000 2.081 510 R HA -0.213 4.126 4.340 -0.001 0.000 0.235 510 R C 2.316 178.503 176.300 -0.189 0.000 1.131 510 R CA 1.525 57.552 56.100 -0.122 0.000 0.960 510 R CB -0.284 29.933 30.300 -0.138 0.000 0.856 510 R HN 0.184 nan 8.270 nan 0.000 0.436 511 L N 0.895 121.907 121.223 -0.352 0.000 2.046 511 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 511 L C 1.920 178.714 176.870 -0.128 0.000 1.077 511 L CA 1.676 56.320 54.840 -0.326 0.000 0.747 511 L CB -0.257 41.486 42.059 -0.526 0.000 0.896 511 L HN 0.212 nan 8.230 nan 0.000 0.432 512 I N -0.512 119.997 120.570 -0.101 0.000 2.226 512 I HA -0.291 3.878 4.170 -0.001 0.000 0.245 512 I C 2.544 178.662 176.117 0.002 0.000 1.100 512 I CA 1.613 62.899 61.300 -0.024 0.000 1.374 512 I CB -0.413 37.584 38.000 -0.005 0.000 1.057 512 I HN 0.428 nan 8.210 nan 0.000 0.413 513 E N 1.326 121.519 120.200 -0.011 0.000 2.085 513 E HA -0.240 4.110 4.350 -0.001 0.000 0.194 513 E C 2.143 178.739 176.600 -0.006 0.000 0.994 513 E CA 1.819 58.219 56.400 -0.000 0.000 0.801 513 E CB 0.016 29.725 29.700 0.014 0.000 0.743 513 E HN 0.701 nan 8.360 nan 0.000 0.453 514 I N -2.778 117.788 120.570 -0.006 0.000 3.526 514 I HA 0.152 4.321 4.170 -0.001 0.000 0.294 514 I C 0.850 176.967 176.117 0.001 0.000 1.229 514 I CA -0.278 61.016 61.300 -0.009 0.000 1.408 514 I CB -0.102 37.888 38.000 -0.017 0.000 1.127 514 I HN -0.096 nan 8.210 nan 0.000 0.439 515 H N 4.889 123.927 119.070 -0.052 0.000 2.929 515 H HA 0.192 4.747 4.556 -0.001 0.000 0.317 515 H C -1.567 173.751 175.328 -0.017 0.000 1.031 515 H CA -1.172 54.854 56.048 -0.037 0.000 1.466 515 H CB 0.960 30.697 29.762 -0.041 0.000 1.482 515 H HN 0.091 nan 8.280 nan 0.000 0.561 516 P HA -0.031 nan 4.420 nan 0.000 0.241 516 P C -0.265 177.020 177.300 -0.026 0.000 1.191 516 P CA 0.373 63.387 63.100 -0.143 0.000 0.771 516 P CB 0.367 31.957 31.700 -0.183 0.000 0.929 517 D N 0.182 120.637 120.400 0.092 0.000 2.249 517 D HA 0.064 4.703 4.640 -0.001 0.000 0.246 517 D C 0.746 177.161 176.300 0.191 0.000 1.114 517 D CA -0.255 53.853 54.000 0.181 0.000 0.854 517 D CB 0.632 41.599 40.800 0.277 0.000 1.132 517 D HN -0.305 nan 8.370 nan 0.000 0.461 518 D N 2.300 122.785 120.400 0.142 0.000 2.264 518 D HA -0.110 4.530 4.640 -0.001 0.000 0.208 518 D C 1.283 177.667 176.300 0.139 0.000 0.966 518 D CA 0.679 54.767 54.000 0.147 0.000 0.864 518 D CB 0.368 41.229 40.800 0.102 0.000 0.933 518 D HN 0.491 nan 8.370 nan 0.000 0.499 519 E N 0.050 120.321 120.200 0.119 0.000 2.152 519 E HA -0.065 4.285 4.350 -0.001 0.000 0.192 519 E C 2.293 178.983 176.600 0.150 0.000 0.983 519 E CA 0.243 56.724 56.400 0.135 0.000 0.818 519 E CB -0.013 29.738 29.700 0.085 0.000 0.758 519 E HN 0.177 nan 8.360 nan 0.000 0.467 520 V N 1.733 121.705 119.914 0.097 0.000 2.323 520 V HA -0.211 3.909 4.120 -0.001 0.000 0.244 520 V C 2.353 178.468 176.094 0.035 0.000 1.041 520 V CA 1.005 63.308 62.300 0.004 0.000 1.025 520 V CB -0.370 31.376 31.823 -0.128 0.000 0.656 520 V HN 0.180 nan 8.190 nan 0.000 0.451 521 I N -0.006 120.627 120.570 0.105 0.000 2.145 521 I HA -0.308 3.861 4.170 -0.001 0.000 0.244 521 I C 2.438 178.621 176.117 0.110 0.000 1.075 521 I CA 2.173 63.543 61.300 0.116 0.000 1.332 521 I CB -1.437 36.676 38.000 0.189 0.000 1.033 521 I HN 0.479 nan 8.210 nan 0.000 0.410 522 Y N 1.767 122.082 120.300 0.024 0.000 2.145 522 Y HA -0.223 4.326 4.550 -0.001 0.000 0.286 522 Y C 2.830 178.732 175.900 0.003 0.000 1.145 522 Y CA 2.057 60.159 58.100 0.002 0.000 1.148 522 Y CB -0.461 37.989 38.460 -0.016 0.000 0.981 522 Y HN 0.043 nan 8.280 nan 0.000 0.507 523 S N 0.209 115.805 115.700 -0.174 0.000 2.368 523 S HA -0.104 4.366 4.470 -0.001 0.000 0.224 523 S C 2.188 176.686 174.600 -0.171 0.000 1.029 523 S CA 1.115 59.159 58.200 -0.260 0.000 0.988 523 S CB -1.080 62.063 63.200 -0.094 0.000 0.838 523 S HN 0.746 nan 8.310 nan 0.000 0.462 524 G N 1.769 110.511 108.800 -0.097 0.000 2.453 524 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.215 524 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.215 524 G C 1.682 176.599 174.900 0.028 0.000 1.201 524 G CA 1.760 46.841 45.100 -0.032 0.000 0.784 524 G HN 0.615 nan 8.290 nan 0.000 0.545 525 T N -0.802 113.740 114.554 -0.020 0.000 2.803 525 T HA 0.023 4.372 4.350 -0.001 0.000 0.269 525 T C 2.414 177.063 174.700 -0.086 0.000 1.052 525 T CA 1.738 63.824 62.100 -0.024 0.000 1.136 525 T CB -0.698 68.165 68.868 -0.008 0.000 0.864 525 T HN 0.290 nan 8.240 nan 0.000 0.467 526 G N 0.355 109.041 108.800 -0.189 0.000 2.418 526 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.217 526 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.217 526 G C 1.247 176.076 174.900 -0.118 0.000 1.158 526 G CA 0.632 45.590 45.100 -0.237 0.000 0.771 526 G HN 0.516 nan 8.290 nan 0.000 0.545 527 F N 0.881 120.720 119.950 -0.185 0.000 2.134 527 F HA -0.003 4.524 4.527 -0.001 0.000 0.299 527 F C 2.263 178.003 175.800 -0.099 0.000 1.097 527 F CA 1.277 59.202 58.000 -0.125 0.000 1.264 527 F CB -0.270 38.668 39.000 -0.104 0.000 1.001 527 F HN 0.112 nan 8.300 nan 0.000 0.479 528 L N 0.660 121.871 121.223 -0.020 0.000 1.989 528 L HA -0.209 4.131 4.340 -0.001 0.000 0.211 528 L C 2.703 179.441 176.870 -0.220 0.000 1.071 528 L CA 2.455 57.240 54.840 -0.091 0.000 0.749 528 L CB -1.295 40.783 42.059 0.033 0.000 0.890 528 L HN 0.344 nan 8.230 nan 0.000 0.431 529 S N -0.724 114.851 115.700 -0.209 0.000 2.368 529 S HA -0.171 4.299 4.470 -0.001 0.000 0.225 529 S C 1.837 176.272 174.600 -0.275 0.000 1.030 529 S CA 1.252 59.299 58.200 -0.255 0.000 0.999 529 S CB -0.954 62.114 63.200 -0.220 0.000 0.844 529 S HN 0.546 nan 8.310 nan 0.000 0.459 530 N N 1.335 119.873 118.700 -0.270 0.000 2.188 530 N HA -0.006 4.734 4.740 -0.001 0.000 0.184 530 N C 1.828 177.151 175.510 -0.313 0.000 1.018 530 N CA 1.159 54.051 53.050 -0.263 0.000 0.858 530 N CB -0.859 37.493 38.487 -0.225 0.000 0.989 530 N HN 0.337 nan 8.380 nan 0.000 0.426 531 V N 1.520 121.161 119.914 -0.455 0.000 2.427 531 V HA -0.123 3.997 4.120 -0.001 0.000 0.248 531 V C 2.217 178.147 176.094 -0.274 0.000 1.051 531 V CA 1.313 63.346 62.300 -0.446 0.000 1.048 531 V CB -0.193 31.189 31.823 -0.735 0.000 0.666 531 V HN 0.249 nan 8.190 nan 0.000 0.456 532 V N -0.765 119.003 119.914 -0.244 0.000 3.129 532 V HA 0.354 4.474 4.120 -0.001 0.000 0.259 532 V C 1.312 177.275 176.094 -0.217 0.000 1.116 532 V CA 0.517 62.717 62.300 -0.167 0.000 1.127 532 V CB -1.317 30.456 31.823 -0.083 0.000 0.742 532 V HN 0.439 nan 8.190 nan 0.000 0.474 533 A N 0.714 123.357 122.820 -0.296 0.000 2.545 533 A HA 0.324 4.644 4.320 -0.001 0.000 0.253 533 A C 0.787 178.151 177.584 -0.365 0.000 1.074 533 A CA 0.873 52.632 52.037 -0.463 0.000 0.760 533 A CB -1.155 17.532 19.000 -0.522 0.000 1.005 533 A HN 1.058 nan 8.150 nan 0.000 0.506 534 H N -0.279 118.733 119.070 -0.096 0.000 3.211 534 H HA -0.151 4.405 4.556 -0.001 0.000 0.240 534 H C -0.320 174.973 175.328 -0.058 0.000 1.148 534 H CA 1.591 57.598 56.048 -0.069 0.000 1.160 534 H CB -1.589 28.139 29.762 -0.058 0.000 1.232 534 H HN 0.714 nan 8.280 nan 0.000 0.321 535 K N 0.882 121.269 120.400 -0.021 0.000 2.621 535 K HA 0.146 4.465 4.320 -0.001 0.000 0.233 535 K C 0.650 177.189 176.600 -0.100 0.000 0.972 535 K CA -0.451 55.797 56.287 -0.065 0.000 0.988 535 K CB 1.865 34.269 32.500 -0.161 0.000 1.187 535 K HN -0.032 nan 8.250 nan 0.000 0.471 536 Q N 2.288 122.081 119.800 -0.011 0.000 2.030 536 Q HA -0.231 4.108 4.340 -0.001 0.000 0.204 536 Q C 2.045 178.048 176.000 0.005 0.000 0.986 536 Q CA 2.159 57.966 55.803 0.007 0.000 0.843 536 Q CB -0.074 28.695 28.738 0.052 0.000 0.904 536 Q HN 0.757 nan 8.270 nan 0.000 0.420 537 H N -1.385 117.689 119.070 0.007 0.000 2.421 537 H HA -0.042 4.514 4.556 -0.001 0.000 0.298 537 H C 1.865 177.201 175.328 0.013 0.000 1.087 537 H CA 1.588 57.641 56.048 0.008 0.000 1.330 537 H CB -0.607 29.160 29.762 0.009 0.000 1.388 537 H HN 0.200 nan 8.280 nan 0.000 0.526 538 V N 1.569 121.145 119.914 -0.564 0.000 2.307 538 V HA -0.208 3.911 4.120 -0.001 0.000 0.245 538 V C 2.666 178.701 176.094 -0.099 0.000 1.045 538 V CA 2.019 64.124 62.300 -0.324 0.000 1.024 538 V CB -0.517 31.085 31.823 -0.368 0.000 0.651 538 V HN 0.270 nan 8.190 nan 0.000 0.449 539 K N 0.131 120.498 120.400 -0.054 0.000 2.074 539 K HA -0.233 4.087 4.320 -0.001 0.000 0.209 539 K C 1.895 178.443 176.600 -0.087 0.000 1.048 539 K CA 1.999 58.317 56.287 0.053 0.000 0.926 539 K CB -0.336 32.207 32.500 0.071 0.000 0.713 539 K HN 0.451 nan 8.250 nan 0.000 0.444 540 D N 0.480 120.847 120.400 -0.055 0.000 2.144 540 D HA -0.119 4.521 4.640 -0.001 0.000 0.199 540 D C 1.872 178.154 176.300 -0.030 0.000 0.984 540 D CA 1.028 55.006 54.000 -0.037 0.000 0.834 540 D CB -0.116 40.696 40.800 0.019 0.000 0.955 540 D HN 0.189 nan 8.370 nan 0.000 0.465 541 I N 1.303 121.868 120.570 -0.008 0.000 2.163 541 I HA -0.239 3.931 4.170 -0.001 0.000 0.240 541 I C 2.553 178.674 176.117 0.006 0.000 1.081 541 I CA 1.062 62.371 61.300 0.014 0.000 1.353 541 I CB -0.284 37.739 38.000 0.038 0.000 1.054 541 I HN -0.095 nan 8.210 nan 0.000 0.407 542 A N 1.174 123.999 122.820 0.008 0.000 1.859 542 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 542 A C 2.323 179.873 177.584 -0.057 0.000 1.198 542 A CA 2.052 54.110 52.037 0.036 0.000 0.629 542 A CB -1.126 17.975 19.000 0.169 0.000 0.830 542 A HN 0.395 nan 8.150 nan 0.000 0.446 543 I N -1.117 119.316 120.570 -0.228 0.000 2.163 543 I HA -0.285 3.884 4.170 -0.001 0.000 0.243 543 I C 2.755 178.827 176.117 -0.076 0.000 1.085 543 I CA 1.579 62.737 61.300 -0.238 0.000 1.347 543 I CB -0.350 37.469 38.000 -0.300 0.000 1.044 543 I HN 0.281 nan 8.210 nan 0.000 0.408 544 R N 0.153 120.624 120.500 -0.048 0.000 2.159 544 R HA -0.103 4.237 4.340 -0.001 0.000 0.237 544 R C 1.696 177.995 176.300 -0.002 0.000 1.131 544 R CA 1.371 57.461 56.100 -0.018 0.000 0.982 544 R CB -0.210 30.087 30.300 -0.006 0.000 0.868 544 R HN 0.273 nan 8.270 nan 0.000 0.453 545 S N 0.775 116.483 115.700 0.013 0.000 2.660 545 S HA 0.109 4.579 4.470 -0.001 0.000 0.227 545 S C -0.113 174.520 174.600 0.055 0.000 0.948 545 S CA -0.233 57.988 58.200 0.034 0.000 0.948 545 S CB 0.169 63.400 63.200 0.051 0.000 0.779 545 S HN 0.342 nan 8.310 nan 0.000 0.487 546 N N 0.417 119.147 118.700 0.050 0.000 2.815 546 N HA -0.197 4.543 4.740 -0.001 0.000 0.249 546 N C 0.878 176.494 175.510 0.177 0.000 1.114 546 N CA 0.730 53.841 53.050 0.102 0.000 0.717 546 N CB -1.471 37.071 38.487 0.092 0.000 1.074 546 N HN 0.522 nan 8.380 nan 0.000 0.555 547 A N 0.352 123.259 122.820 0.146 0.000 1.940 547 A HA -0.097 4.223 4.320 -0.001 0.000 0.219 547 A C 2.272 180.038 177.584 0.304 0.000 1.176 547 A CA 1.542 53.711 52.037 0.220 0.000 0.631 547 A CB -0.281 18.875 19.000 0.261 0.000 0.814 547 A HN 0.442 nan 8.150 nan 0.000 0.446 548 I N -2.184 118.569 120.570 0.305 0.000 2.202 548 I HA -0.213 3.957 4.170 -0.001 0.000 0.242 548 I C 2.303 178.664 176.117 0.406 0.000 1.091 548 I CA 1.513 63.057 61.300 0.406 0.000 1.368 548 I CB -0.416 37.808 38.000 0.374 0.000 1.058 548 I HN 0.404 nan 8.210 nan 0.000 0.410 549 F N 1.321 121.377 119.950 0.177 0.000 2.154 549 F HA -0.274 4.253 4.527 -0.001 0.000 0.301 549 F C 2.166 178.049 175.800 0.140 0.000 1.087 549 F CA 1.585 59.652 58.000 0.111 0.000 1.274 549 F CB -0.192 38.831 39.000 0.040 0.000 1.009 549 F HN -0.028 nan 8.300 nan 0.000 0.485 550 L N -0.007 121.311 121.223 0.157 0.000 2.072 550 L HA -0.107 4.232 4.340 -0.001 0.000 0.205 550 L C 2.088 178.987 176.870 0.047 0.000 1.079 550 L CA 1.605 56.480 54.840 0.059 0.000 0.752 550 L CB -0.752 41.386 42.059 0.131 0.000 0.906 550 L HN 0.188 nan 8.230 nan 0.000 0.436 551 L N -0.947 120.378 121.223 0.171 0.000 2.079 551 L HA -0.272 4.067 4.340 -0.001 0.000 0.210 551 L C 2.713 179.710 176.870 0.210 0.000 1.081 551 L CA 1.621 56.596 54.840 0.225 0.000 0.752 551 L CB -1.131 41.128 42.059 0.333 0.000 0.896 551 L HN 0.483 nan 8.230 nan 0.000 0.433 552 H N 0.182 119.256 119.070 0.006 0.000 2.321 552 H HA -0.153 4.402 4.556 -0.001 0.000 0.300 552 H C 2.081 177.207 175.328 -0.337 0.000 1.087 552 H CA 2.089 57.897 56.048 -0.401 0.000 1.319 552 H CB 0.181 29.555 29.762 -0.647 0.000 1.379 552 H HN 0.247 nan 8.280 nan 0.000 0.501 553 T N 1.304 115.704 114.554 -0.258 0.000 2.708 553 T HA -0.105 4.245 4.350 -0.001 0.000 0.266 553 T C 2.366 176.935 174.700 -0.218 0.000 1.037 553 T CA 1.517 63.451 62.100 -0.277 0.000 1.146 553 T CB -0.251 68.435 68.868 -0.304 0.000 0.865 553 T HN 0.255 nan 8.240 nan 0.000 0.435 554 I N 0.552 121.046 120.570 -0.126 0.000 2.226 554 I HA -0.135 4.035 4.170 -0.001 0.000 0.245 554 I C 2.199 178.297 176.117 -0.031 0.000 1.100 554 I CA 1.261 62.519 61.300 -0.070 0.000 1.374 554 I CB -0.400 37.631 38.000 0.051 0.000 1.057 554 I HN 0.220 nan 8.210 nan 0.000 0.413 555 I N -0.209 120.345 120.570 -0.027 0.000 2.179 555 I HA -0.275 3.895 4.170 -0.001 0.000 0.242 555 I C 2.537 178.588 176.117 -0.109 0.000 1.088 555 I CA 1.265 62.561 61.300 -0.007 0.000 1.357 555 I CB -0.412 37.576 38.000 -0.020 0.000 1.051 555 I HN 0.098 nan 8.210 nan 0.000 0.409 556 S N 0.632 116.162 115.700 -0.283 0.000 2.442 556 S HA -0.179 4.290 4.470 -0.001 0.000 0.236 556 S C 1.896 176.367 174.600 -0.215 0.000 1.007 556 S CA 1.338 59.363 58.200 -0.291 0.000 0.965 556 S CB -0.257 62.705 63.200 -0.396 0.000 0.773 556 S HN 0.508 nan 8.310 nan 0.000 0.504 557 K N -0.247 119.983 120.400 -0.284 0.000 2.305 557 K HA 0.002 4.322 4.320 -0.001 0.000 0.199 557 K C -0.387 175.988 176.600 -0.374 0.000 1.047 557 K CA 0.450 56.518 56.287 -0.365 0.000 0.976 557 K CB -0.110 32.101 32.500 -0.483 0.000 0.765 557 K HN 0.224 nan 8.250 nan 0.000 0.474 558 Y N 2.760 123.020 120.300 -0.066 0.000 2.320 558 Y HA 0.302 4.852 4.550 -0.000 0.000 0.324 558 Y C -1.867 174.002 175.900 -0.051 0.000 1.190 558 Y CA -2.977 55.093 58.100 -0.050 0.000 1.215 558 Y CB 0.433 38.867 38.460 -0.044 0.000 1.221 558 Y HN 0.088 nan 8.280 nan 0.000 0.486 559 P HA 0.201 nan 4.420 nan 0.000 0.275 559 P C -0.728 176.599 177.300 0.045 0.000 1.266 559 P CA -0.584 62.551 63.100 0.058 0.000 0.793 559 P CB 0.874 32.602 31.700 0.046 0.000 1.074 560 R N -0.034 120.475 120.500 0.015 0.000 2.734 560 R HA 0.108 4.447 4.340 -0.001 0.000 0.266 560 R C 1.739 178.034 176.300 -0.009 0.000 1.044 560 R CA -0.373 55.726 56.100 -0.002 0.000 1.128 560 R CB -0.082 30.214 30.300 -0.006 0.000 1.010 560 R HN 0.437 nan 8.270 nan 0.000 0.461 561 L N 1.448 122.655 121.223 -0.027 0.000 2.079 561 L HA -0.235 4.105 4.340 -0.001 0.000 0.210 561 L C 1.745 178.599 176.870 -0.027 0.000 1.081 561 L CA 1.519 56.335 54.840 -0.039 0.000 0.752 561 L CB -0.611 41.412 42.059 -0.059 0.000 0.896 561 L HN 0.751 nan 8.230 nan 0.000 0.433 562 D N -0.337 120.051 120.400 -0.020 0.000 2.310 562 D HA -0.201 4.438 4.640 -0.001 0.000 0.212 562 D C 1.396 177.693 176.300 -0.004 0.000 0.965 562 D CA 0.846 54.840 54.000 -0.010 0.000 0.879 562 D CB -0.340 40.457 40.800 -0.004 0.000 0.921 562 D HN 0.411 nan 8.370 nan 0.000 0.510 563 E N -0.376 119.822 120.200 -0.003 0.000 2.489 563 E HA 0.156 4.506 4.350 -0.001 0.000 0.193 563 E C 0.068 176.669 176.600 0.001 0.000 1.057 563 E CA -0.077 56.324 56.400 0.002 0.000 0.866 563 E CB 0.266 29.969 29.700 0.006 0.000 0.916 563 E HN 0.343 nan 8.360 nan 0.000 0.500 564 L N 1.501 122.720 121.223 -0.006 0.000 2.276 564 L HA 0.161 4.500 4.340 -0.001 0.000 0.286 564 L C 1.532 178.395 176.870 -0.011 0.000 1.024 564 L CA -0.363 54.471 54.840 -0.010 0.000 0.826 564 L CB 1.411 43.456 42.059 -0.023 0.000 1.211 564 L HN 0.046 nan 8.230 nan 0.000 0.422 565 T N -1.532 113.018 114.554 -0.007 0.000 2.809 565 T HA -0.072 4.278 4.350 -0.001 0.000 0.260 565 T C 0.577 175.272 174.700 -0.009 0.000 1.039 565 T CA 0.479 62.576 62.100 -0.005 0.000 1.141 565 T CB -0.156 68.711 68.868 -0.002 0.000 0.869 565 T HN 0.592 nan 8.240 nan 0.000 0.437 566 D N 0.915 121.308 120.400 -0.012 0.000 2.304 566 D HA 0.566 5.206 4.640 -0.001 0.000 0.250 566 D C 1.303 177.589 176.300 -0.024 0.000 1.107 566 D CA 0.012 54.002 54.000 -0.016 0.000 0.885 566 D CB 1.326 42.117 40.800 -0.014 0.000 1.192 566 D HN 0.240 nan 8.370 nan 0.000 0.436 567 A N 4.110 126.916 122.820 -0.023 0.000 1.845 567 A HA -0.026 4.294 4.320 -0.001 0.000 0.215 567 A C -0.311 177.245 177.584 -0.046 0.000 1.195 567 A CA 1.182 53.201 52.037 -0.029 0.000 0.616 567 A CB -1.736 17.251 19.000 -0.021 0.000 0.832 567 A HN 0.670 nan 8.150 nan 0.000 0.443 568 P HA -0.239 nan 4.420 nan 0.000 0.217 568 P C 1.527 178.776 177.300 -0.085 0.000 1.158 568 P CA 2.115 65.176 63.100 -0.066 0.000 0.887 568 P CB -0.029 31.639 31.700 -0.053 0.000 0.792 569 K N -0.005 120.354 120.400 -0.069 0.000 2.025 569 K HA -0.133 4.186 4.320 -0.001 0.000 0.207 569 K C 2.285 178.822 176.600 -0.106 0.000 1.049 569 K CA 1.438 57.678 56.287 -0.078 0.000 0.933 569 K CB -0.666 31.806 32.500 -0.046 0.000 0.714 569 K HN -0.182 nan 8.250 nan 0.000 0.438 570 R N 0.213 120.662 120.500 -0.085 0.000 2.073 570 R HA -0.150 4.190 4.340 -0.001 0.000 0.234 570 R C 2.009 178.241 176.300 -0.113 0.000 1.134 570 R CA 1.980 58.024 56.100 -0.092 0.000 0.952 570 R CB -0.515 29.749 30.300 -0.060 0.000 0.850 570 R HN 0.302 nan 8.270 nan 0.000 0.433 571 N N 0.158 118.797 118.700 -0.102 0.000 2.223 571 N HA -0.168 4.572 4.740 -0.001 0.000 0.185 571 N C 1.723 177.141 175.510 -0.154 0.000 1.016 571 N CA 1.150 54.135 53.050 -0.108 0.000 0.863 571 N CB -0.002 38.429 38.487 -0.093 0.000 0.983 571 N HN 0.069 nan 8.380 nan 0.000 0.429 572 R N -0.126 120.261 120.500 -0.189 0.000 2.062 572 R HA 0.123 4.462 4.340 -0.001 0.000 0.229 572 R C 2.022 178.181 176.300 -0.236 0.000 1.128 572 R CA 0.837 56.788 56.100 -0.248 0.000 0.960 572 R CB -0.913 29.245 30.300 -0.236 0.000 0.855 572 R HN 0.063 nan 8.270 nan 0.000 0.432 573 V N -0.052 119.685 119.914 -0.295 0.000 2.392 573 V HA -0.346 3.774 4.120 -0.001 0.000 0.249 573 V C 2.534 178.459 176.094 -0.281 0.000 1.059 573 V CA 1.974 63.996 62.300 -0.463 0.000 1.051 573 V CB -0.616 30.912 31.823 -0.491 0.000 0.658 573 V HN 0.601 nan 8.190 nan 0.000 0.455 574 C N 0.232 119.424 119.300 -0.180 0.000 2.429 574 C HA -0.147 4.313 4.460 -0.001 0.000 0.277 574 C C 2.620 177.564 174.990 -0.076 0.000 1.262 574 C CA 1.492 60.440 59.018 -0.115 0.000 1.733 574 C CB -0.962 26.721 27.740 -0.094 0.000 2.010 574 C HN 0.670 nan 8.230 nan 0.000 0.483 575 E N 0.196 120.358 120.200 -0.063 0.000 2.152 575 E HA -0.083 4.266 4.350 -0.001 0.000 0.192 575 E C 1.996 178.654 176.600 0.097 0.000 0.983 575 E CA 1.209 57.630 56.400 0.035 0.000 0.818 575 E CB -0.102 29.627 29.700 0.049 0.000 0.758 575 E HN 0.705 nan 8.360 nan 0.000 0.467 576 I N 0.912 121.509 120.570 0.044 0.000 2.252 576 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 576 I C 2.225 178.359 176.117 0.030 0.000 1.102 576 I CA 1.059 62.394 61.300 0.058 0.000 1.385 576 I CB -0.133 37.861 38.000 -0.010 0.000 1.064 576 I HN 0.106 nan 8.210 nan 0.000 0.414 577 I N -0.298 120.263 120.570 -0.015 0.000 2.252 577 I HA -0.341 3.829 4.170 -0.001 0.000 0.245 577 I C 2.817 178.921 176.117 -0.022 0.000 1.102 577 I CA 0.952 62.251 61.300 -0.002 0.000 1.385 577 I CB -0.516 37.471 38.000 -0.021 0.000 1.064 577 I HN 0.403 nan 8.210 nan 0.000 0.414 578 C N 1.527 120.809 119.300 -0.030 0.000 2.413 578 C HA -0.184 4.276 4.460 -0.001 0.000 0.276 578 C C 2.781 177.739 174.990 -0.053 0.000 1.248 578 C CA 1.490 60.483 59.018 -0.042 0.000 1.742 578 C CB -1.357 26.367 27.740 -0.027 0.000 2.017 578 C HN 0.518 nan 8.230 nan 0.000 0.481 579 N N 0.037 118.717 118.700 -0.033 0.000 2.120 579 N HA -0.112 4.627 4.740 -0.001 0.000 0.188 579 N C 1.703 177.163 175.510 -0.084 0.000 1.024 579 N CA 1.817 54.829 53.050 -0.063 0.000 0.852 579 N CB -0.833 37.621 38.487 -0.054 0.000 1.003 579 N HN 0.570 nan 8.380 nan 0.000 0.424 580 C N 0.555 119.828 119.300 -0.045 0.000 2.453 580 C HA 0.059 4.519 4.460 -0.001 0.000 0.277 580 C C 2.769 177.701 174.990 -0.098 0.000 1.262 580 C CA 0.180 59.179 59.018 -0.032 0.000 1.718 580 C CB -1.113 26.652 27.740 0.043 0.000 2.031 580 C HN 0.409 nan 8.230 nan 0.000 0.480 581 L N -0.057 121.100 121.223 -0.111 0.000 2.141 581 L HA -0.091 4.248 4.340 -0.001 0.000 0.209 581 L C 2.786 179.525 176.870 -0.218 0.000 1.094 581 L CA 1.250 55.981 54.840 -0.182 0.000 0.763 581 L CB -0.606 41.355 42.059 -0.163 0.000 0.908 581 L HN 0.316 nan 8.230 nan 0.000 0.437 582 R N -0.715 119.672 120.500 -0.188 0.000 2.115 582 R HA -0.108 4.232 4.340 -0.001 0.000 0.230 582 R C 2.270 178.386 176.300 -0.307 0.000 1.111 582 R CA 1.677 57.649 56.100 -0.215 0.000 0.976 582 R CB -0.279 29.918 30.300 -0.171 0.000 0.870 582 R HN 0.317 nan 8.270 nan 0.000 0.445 583 T N 1.395 115.753 114.554 -0.328 0.000 2.737 583 T HA -0.121 4.228 4.350 -0.001 0.000 0.265 583 T C 1.678 175.919 174.700 -0.765 0.000 1.038 583 T CA 1.001 62.794 62.100 -0.512 0.000 1.144 583 T CB -0.214 68.437 68.868 -0.362 0.000 0.866 583 T HN 0.102 nan 8.240 nan 0.000 0.434 584 L N 2.211 123.143 121.223 -0.485 0.000 1.989 584 L HA -0.146 4.193 4.340 -0.001 0.000 0.211 584 L C 1.966 178.629 176.870 -0.345 0.000 1.071 584 L CA 1.803 56.413 54.840 -0.384 0.000 0.749 584 L CB -0.837 40.968 42.059 -0.422 0.000 0.890 584 L HN 0.103 nan 8.230 nan 0.000 0.431 585 N N 0.347 118.854 118.700 -0.322 0.000 2.137 585 N HA -0.205 4.535 4.740 -0.001 0.000 0.190 585 N C 1.603 176.957 175.510 -0.260 0.000 1.017 585 N CA 1.520 54.424 53.050 -0.244 0.000 0.859 585 N CB -0.783 37.577 38.487 -0.211 0.000 1.002 585 N HN 0.472 nan 8.380 nan 0.000 0.428 586 N N 0.332 118.805 118.700 -0.379 0.000 2.166 586 N HA -0.091 4.648 4.740 -0.001 0.000 0.186 586 N C 1.427 176.773 175.510 -0.274 0.000 1.019 586 N CA 0.776 53.599 53.050 -0.377 0.000 0.856 586 N CB -0.325 37.873 38.487 -0.483 0.000 0.993 586 N HN 0.206 nan 8.380 nan 0.000 0.426 587 F N 1.242 121.039 119.950 -0.256 0.000 2.098 587 F HA 0.086 4.613 4.527 -0.000 0.000 0.294 587 F C 2.356 177.804 175.800 -0.585 0.000 1.107 587 F CA 0.194 57.953 58.000 -0.401 0.000 1.234 587 F CB -1.223 37.652 39.000 -0.208 0.000 1.002 587 F HN -0.076 nan 8.300 nan 0.000 0.472 588 L N -0.827 120.353 121.223 -0.071 0.000 2.129 588 L HA -0.271 4.068 4.340 -0.001 0.000 0.212 588 L C 2.472 179.291 176.870 -0.085 0.000 1.087 588 L CA 1.226 56.081 54.840 0.025 0.000 0.757 588 L CB -0.702 41.384 42.059 0.045 0.000 0.896 588 L HN 0.161 nan 8.230 nan 0.000 0.434 589 M N -0.010 119.500 119.600 -0.150 0.000 2.202 589 M HA -0.240 4.240 4.480 -0.001 0.000 0.262 589 M C 2.287 178.491 176.300 -0.159 0.000 1.063 589 M CA 1.729 56.954 55.300 -0.125 0.000 1.097 589 M CB -0.130 32.394 32.600 -0.126 0.000 1.382 589 M HN 0.334 nan 8.290 nan 0.000 0.413 590 M N -2.318 117.074 119.600 -0.345 0.000 2.254 590 M HA -0.121 4.359 4.480 -0.001 0.000 0.265 590 M C 0.627 176.770 176.300 -0.261 0.000 1.066 590 M CA 1.221 56.283 55.300 -0.396 0.000 1.123 590 M CB -0.551 31.695 32.600 -0.590 0.000 1.388 590 M HN 0.240 nan 8.290 nan 0.000 0.425 591 W N 2.041 123.405 121.300 0.107 0.000 3.325 591 W HA 0.475 5.135 4.660 -0.001 0.000 0.370 591 W C -0.231 176.338 176.519 0.083 0.000 1.169 591 W CA -0.837 56.591 57.345 0.138 0.000 1.874 591 W CB -0.576 29.055 29.460 0.285 0.000 1.076 591 W HN 0.138 nan 8.180 nan 0.000 0.684 592 I N 2.501 123.176 120.570 0.175 0.000 2.339 592 I HA 0.215 4.385 4.170 -0.001 0.000 0.290 592 I C -1.862 174.305 176.117 0.083 0.000 0.994 592 I CA -1.928 59.436 61.300 0.107 0.000 1.191 592 I CB 1.401 39.435 38.000 0.056 0.000 1.343 592 I HN -0.476 nan 8.210 nan 0.000 0.458 593 P HA 0.152 nan 4.420 nan 0.000 0.262 593 P C -0.262 177.067 177.300 0.048 0.000 1.199 593 P CA 0.341 63.481 63.100 0.067 0.000 0.763 593 P CB 0.250 31.987 31.700 0.062 0.000 0.790 594 T N 2.778 117.358 114.554 0.043 0.000 2.940 594 T HA 0.477 4.827 4.350 -0.001 0.000 0.288 594 T C -0.827 173.891 174.700 0.031 0.000 1.033 594 T CA -1.672 60.448 62.100 0.033 0.000 1.033 594 T CB 0.362 69.246 68.868 0.027 0.000 1.079 594 T HN 0.101 nan 8.240 nan 0.000 0.496 595 P HA 0.003 nan 4.420 nan 0.000 0.215 595 P C 0.889 178.202 177.300 0.022 0.000 1.153 595 P CA 1.340 64.454 63.100 0.023 0.000 0.853 595 P CB -0.468 31.244 31.700 0.020 0.000 0.788 600 K N 2.191 122.688 120.400 0.161 0.000 2.185 600 K HA 0.623 4.943 4.320 -0.001 0.000 0.271 600 K C -0.085 176.699 176.600 0.306 0.000 1.013 600 K CA -0.322 56.091 56.287 0.210 0.000 0.943 600 K CB 0.604 33.225 32.500 0.203 0.000 0.998 600 K HN 0.609 nan 8.250 nan 0.000 0.468 601 T N 1.301 115.992 114.554 0.228 0.000 2.824 601 T HA 0.562 4.912 4.350 -0.001 0.000 0.280 601 T C -0.499 174.228 174.700 0.045 0.000 0.995 601 T CA -1.006 61.170 62.100 0.127 0.000 1.009 601 T CB 1.707 70.603 68.868 0.046 0.000 0.955 601 T HN 0.591 nan 8.240 nan 0.000 0.452 602 A N 2.218 124.882 122.820 -0.260 0.000 2.301 602 A HA 0.789 5.109 4.320 -0.001 0.000 0.312 602 A C 0.821 178.124 177.584 -0.468 0.000 1.182 602 A CA -0.578 51.075 52.037 -0.641 0.000 0.826 602 A CB 0.316 18.399 19.000 -1.528 0.000 1.134 602 A HN 1.055 nan 8.150 nan 0.000 0.501 603 G N 1.253 109.843 108.800 -0.351 0.000 2.621 603 G HA2 0.447 4.407 3.960 -0.001 0.000 0.271 603 G HA3 0.447 4.407 3.960 -0.001 0.000 0.271 603 G C -1.103 173.607 174.900 -0.317 0.000 1.236 603 G CA -0.767 44.179 45.100 -0.256 0.000 0.958 603 G HN 0.485 nan 8.290 nan 0.000 0.512 604 P HA -0.146 nan 4.420 nan 0.000 0.215 604 P C 1.281 178.458 177.300 -0.205 0.000 1.153 604 P CA 1.092 64.069 63.100 -0.206 0.000 0.853 604 P CB 0.210 31.828 31.700 -0.137 0.000 0.788 605 N N -0.159 118.437 118.700 -0.173 0.000 2.171 605 N HA -0.112 4.627 4.740 -0.001 0.000 0.184 605 N C 1.781 177.195 175.510 -0.160 0.000 1.021 605 N CA 0.987 53.951 53.050 -0.143 0.000 0.854 605 N CB -0.034 38.387 38.487 -0.110 0.000 0.994 605 N HN 0.234 nan 8.380 nan 0.000 0.426 606 E N 1.054 121.120 120.200 -0.224 0.000 2.077 606 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 606 E C 1.910 178.270 176.600 -0.400 0.000 0.989 606 E CA 1.101 57.333 56.400 -0.279 0.000 0.800 606 E CB 0.090 29.563 29.700 -0.378 0.000 0.746 606 E HN 0.250 nan 8.360 nan 0.000 0.452 607 K N 0.440 120.478 120.400 -0.602 0.000 2.032 607 K HA -0.257 4.062 4.320 -0.001 0.000 0.209 607 K C 2.351 178.839 176.600 -0.187 0.000 1.048 607 K CA 1.831 57.695 56.287 -0.705 0.000 0.927 607 K CB -0.119 31.908 32.500 -0.789 0.000 0.712 607 K HN 0.086 nan 8.250 nan 0.000 0.441 608 Q N 0.881 120.599 119.800 -0.138 0.000 2.230 608 Q HA -0.124 4.215 4.340 -0.001 0.000 0.202 608 Q C 1.744 177.760 176.000 0.027 0.000 0.963 608 Q CA 1.385 57.167 55.803 -0.035 0.000 0.866 608 Q CB -0.092 28.612 28.738 -0.056 0.000 0.931 608 Q HN 0.283 nan 8.270 nan 0.000 0.452 609 Q N 0.053 119.876 119.800 0.039 0.000 2.046 609 Q HA -0.083 4.257 4.340 -0.001 0.000 0.200 609 Q C 2.184 178.334 176.000 0.250 0.000 0.975 609 Q CA 1.803 57.690 55.803 0.141 0.000 0.836 609 Q CB -0.037 28.800 28.738 0.165 0.000 0.896 609 Q HN 0.331 nan 8.270 nan 0.000 0.428 610 V N 0.063 120.140 119.914 0.271 0.000 2.392 610 V HA -0.311 3.809 4.120 -0.001 0.000 0.249 610 V C 2.092 178.421 176.094 0.392 0.000 1.059 610 V CA 1.412 63.954 62.300 0.404 0.000 1.051 610 V CB -0.437 31.656 31.823 0.449 0.000 0.658 610 V HN 0.518 nan 8.190 nan 0.000 0.455 611 C N -0.261 119.204 119.300 0.275 0.000 2.491 611 C HA -0.032 4.428 4.460 -0.001 0.000 0.277 611 C C 2.476 177.555 174.990 0.149 0.000 1.455 611 C CA 0.227 59.371 59.018 0.210 0.000 1.758 611 C CB -1.381 26.456 27.740 0.161 0.000 1.745 611 C HN 0.538 nan 8.230 nan 0.000 0.558 612 K N 0.206 120.669 120.400 0.105 0.000 2.283 612 K HA -0.055 4.265 4.320 -0.001 0.000 0.202 612 K C 1.137 177.728 176.600 -0.016 0.000 1.048 612 K CA 1.177 57.405 56.287 -0.098 0.000 0.948 612 K CB -0.208 32.018 32.500 -0.456 0.000 0.742 612 K HN 0.471 nan 8.250 nan 0.000 0.458 613 F N 0.683 120.722 119.950 0.150 0.000 2.802 613 F HA -0.007 4.520 4.527 -0.001 0.000 0.300 613 F C 1.491 177.370 175.800 0.132 0.000 1.168 613 F CA 0.389 58.488 58.000 0.165 0.000 1.433 613 F CB -0.021 39.053 39.000 0.124 0.000 1.115 613 F HN 0.016 nan 8.300 nan 0.000 0.582 614 I N -3.300 117.412 120.570 0.238 0.000 3.976 614 I HA 0.218 4.387 4.170 -0.001 0.000 0.337 614 I C 0.290 176.477 176.117 0.117 0.000 1.359 614 I CA -0.455 60.952 61.300 0.180 0.000 1.098 614 I CB -0.894 37.198 38.000 0.153 0.000 1.027 614 I HN -0.182 nan 8.210 nan 0.000 0.394 615 E N 1.582 121.840 120.200 0.097 0.000 2.436 615 E HA 0.037 4.387 4.350 -0.001 0.000 0.262 615 E C 1.466 178.102 176.600 0.061 0.000 1.063 615 E CA 0.592 57.032 56.400 0.065 0.000 0.944 615 E CB 0.987 30.721 29.700 0.058 0.000 0.950 615 E HN 0.583 nan 8.360 nan 0.000 0.444 616 I N -0.332 120.262 120.570 0.040 0.000 2.394 616 I HA -0.204 3.965 4.170 -0.001 0.000 0.251 616 I C 1.439 177.567 176.117 0.019 0.000 1.136 616 I CA 1.425 62.742 61.300 0.028 0.000 1.425 616 I CB -0.016 37.994 38.000 0.017 0.000 1.079 616 I HN 0.423 nan 8.210 nan 0.000 0.425 617 D N 1.116 121.524 120.400 0.014 0.000 2.117 617 D HA -0.145 4.494 4.640 -0.001 0.000 0.198 617 D C 2.175 178.459 176.300 -0.026 0.000 0.982 617 D CA 1.726 55.721 54.000 -0.008 0.000 0.828 617 D CB 0.105 40.896 40.800 -0.015 0.000 0.967 617 D HN 0.521 nan 8.370 nan 0.000 0.464 618 I N 0.755 121.309 120.570 -0.028 0.000 2.439 618 I HA -0.195 3.975 4.170 -0.001 0.000 0.251 618 I C 2.329 178.465 176.117 0.031 0.000 1.139 618 I CA 0.490 61.756 61.300 -0.057 0.000 1.438 618 I CB 0.142 38.039 38.000 -0.171 0.000 1.085 618 I HN -0.036 nan 8.210 nan 0.000 0.427 619 L N 0.363 121.636 121.223 0.083 0.000 2.012 619 L HA -0.281 4.059 4.340 -0.001 0.000 0.210 619 L C 2.519 179.419 176.870 0.050 0.000 1.073 619 L CA 1.608 56.532 54.840 0.140 0.000 0.748 619 L CB -0.642 41.490 42.059 0.122 0.000 0.891 619 L HN 0.157 nan 8.230 nan 0.000 0.431 620 K N 0.041 120.438 120.400 -0.005 0.000 2.063 620 K HA -0.233 4.086 4.320 -0.001 0.000 0.208 620 K C 2.184 178.748 176.600 -0.061 0.000 1.048 620 K CA 1.585 57.840 56.287 -0.053 0.000 0.928 620 K CB -0.078 32.402 32.500 -0.034 0.000 0.713 620 K HN 0.208 nan 8.250 nan 0.000 0.442 621 K N 0.674 121.052 120.400 -0.036 0.000 2.026 621 K HA -0.076 4.244 4.320 -0.001 0.000 0.208 621 K C 2.042 178.623 176.600 -0.030 0.000 1.048 621 K CA 1.122 57.387 56.287 -0.038 0.000 0.929 621 K CB -0.033 32.440 32.500 -0.046 0.000 0.713 621 K HN 0.074 nan 8.250 nan 0.000 0.439 622 L N 0.106 121.332 121.223 0.003 0.000 2.141 622 L HA -0.119 4.220 4.340 -0.001 0.000 0.209 622 L C 2.490 179.390 176.870 0.050 0.000 1.094 622 L CA 0.820 55.677 54.840 0.029 0.000 0.763 622 L CB -0.223 41.858 42.059 0.037 0.000 0.908 622 L HN 0.273 nan 8.230 nan 0.000 0.437 623 M N -0.568 119.017 119.600 -0.025 0.000 2.099 623 M HA -0.179 4.300 4.480 -0.001 0.000 0.262 623 M C 2.491 178.621 176.300 -0.283 0.000 1.067 623 M CA 1.646 56.783 55.300 -0.271 0.000 1.124 623 M CB 0.003 32.241 32.600 -0.603 0.000 1.353 623 M HN 0.134 nan 8.290 nan 0.000 0.410 624 S N -0.448 115.142 115.700 -0.183 0.000 2.370 624 S HA -0.188 4.282 4.470 -0.001 0.000 0.226 624 S C 1.925 176.502 174.600 -0.039 0.000 1.033 624 S CA 1.459 59.620 58.200 -0.064 0.000 1.011 624 S CB -0.806 62.368 63.200 -0.043 0.000 0.852 624 S HN 0.588 nan 8.310 nan 0.000 0.457 625 C N 1.171 120.439 119.300 -0.053 0.000 2.422 625 C HA 0.034 4.494 4.460 -0.001 0.000 0.279 625 C C 2.408 177.337 174.990 -0.102 0.000 1.305 625 C CA 0.293 59.267 59.018 -0.074 0.000 1.757 625 C CB -1.401 26.299 27.740 -0.065 0.000 1.962 625 C HN 0.410 nan 8.230 nan 0.000 0.499 626 L N 1.522 122.719 121.223 -0.043 0.000 2.131 626 L HA -0.070 4.270 4.340 -0.001 0.000 0.210 626 L C 2.456 179.285 176.870 -0.068 0.000 1.092 626 L CA 2.457 57.279 54.840 -0.029 0.000 0.759 626 L CB -0.731 41.381 42.059 0.089 0.000 0.903 626 L HN 0.543 nan 8.230 nan 0.000 0.435 627 S N -3.072 112.629 115.700 0.003 0.000 2.733 627 S HA 0.053 4.523 4.470 -0.001 0.000 0.247 627 S C 0.806 175.393 174.600 -0.021 0.000 1.043 627 S CA -0.305 57.908 58.200 0.021 0.000 1.066 627 S CB -1.040 62.271 63.200 0.185 0.000 1.045 627 S HN 0.357 nan 8.310 nan 0.000 0.586 628 C N 2.576 121.847 119.300 -0.047 0.000 2.597 628 C HA 0.678 5.138 4.460 -0.001 0.000 0.412 628 C C 1.487 176.437 174.990 -0.066 0.000 1.348 628 C CA 0.316 59.308 59.018 -0.043 0.000 1.769 628 C CB -1.068 26.642 27.740 -0.051 0.000 2.641 628 C HN 0.674 nan 8.230 nan 0.000 0.612 629 E N 2.086 122.277 120.200 -0.015 0.000 2.352 629 E HA 0.361 4.711 4.350 -0.001 0.000 0.197 629 E C 1.032 177.638 176.600 0.011 0.000 1.224 629 E CA 0.516 56.924 56.400 0.014 0.000 1.118 629 E CB -0.999 28.724 29.700 0.037 0.000 1.198 629 E HN 1.429 nan 8.360 nan 0.000 0.454 630 G N 1.222 110.002 108.800 -0.033 0.000 2.224 630 G HA2 0.270 4.229 3.960 -0.001 0.000 0.239 630 G HA3 0.270 4.229 3.960 -0.001 0.000 0.239 630 G C 0.872 175.785 174.900 0.022 0.000 1.240 630 G CA 0.115 45.197 45.100 -0.029 0.000 0.896 630 G HN 0.367 nan 8.290 nan 0.000 0.496 631 M N 2.358 121.977 119.600 0.032 0.000 2.293 631 M HA 0.305 4.785 4.480 -0.001 0.000 0.210 631 M C 1.024 177.371 176.300 0.078 0.000 0.932 631 M CA 0.019 55.355 55.300 0.060 0.000 1.838 631 M CB -1.119 31.502 32.600 0.036 0.000 1.099 631 M HN 0.496 nan 8.290 nan 0.000 0.890 632 D N 1.966 122.399 120.400 0.056 0.000 2.385 632 D HA 0.394 5.034 4.640 -0.001 0.000 0.260 632 D C -0.686 175.635 176.300 0.034 0.000 1.326 632 D CA -0.006 54.025 54.000 0.051 0.000 1.023 632 D CB -0.978 39.839 40.800 0.029 0.000 1.083 632 D HN 0.442 nan 8.370 nan 0.000 0.517 633 T N 3.244 117.828 114.554 0.051 0.000 2.934 633 T HA 0.433 4.783 4.350 -0.001 0.000 0.328 633 T C -1.803 172.921 174.700 0.040 0.000 1.068 633 T CA -0.834 61.279 62.100 0.021 0.000 1.018 633 T CB 1.875 70.741 68.868 -0.004 0.000 1.009 633 T HN 0.142 nan 8.240 nan 0.000 0.471 634 P HA -0.008 nan 4.420 nan 0.000 0.218 634 P C 1.562 178.879 177.300 0.028 0.000 1.148 634 P CA 0.642 63.756 63.100 0.024 0.000 0.822 634 P CB 0.131 31.831 31.700 -0.001 0.000 0.784 635 G N -1.067 107.738 108.800 0.008 0.000 3.088 635 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.212 635 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.212 635 G C 1.194 176.101 174.900 0.012 0.000 1.173 635 G CA -0.144 44.960 45.100 0.007 0.000 0.779 635 G HN 0.158 nan 8.290 nan 0.000 0.540 636 L N 0.291 121.533 121.223 0.031 0.000 2.046 636 L HA 0.067 4.406 4.340 -0.001 0.000 0.208 636 L C 2.484 179.379 176.870 0.041 0.000 1.077 636 L CA 1.268 56.106 54.840 -0.002 0.000 0.747 636 L CB -0.369 41.684 42.059 -0.011 0.000 0.896 636 L HN 0.222 nan 8.230 nan 0.000 0.432 637 L N -0.481 120.858 121.223 0.195 0.000 2.012 637 L HA -0.220 4.120 4.340 -0.001 0.000 0.210 637 L C 2.434 179.365 176.870 0.101 0.000 1.073 637 L CA 1.897 56.887 54.840 0.250 0.000 0.748 637 L CB -0.797 41.384 42.059 0.202 0.000 0.891 637 L HN 0.394 nan 8.230 nan 0.000 0.431 638 E N -0.946 119.283 120.200 0.049 0.000 2.152 638 E HA -0.192 4.158 4.350 -0.001 0.000 0.192 638 E C 2.137 178.731 176.600 -0.010 0.000 0.983 638 E CA 1.035 57.443 56.400 0.013 0.000 0.818 638 E CB -0.083 29.619 29.700 0.003 0.000 0.758 638 E HN 0.438 nan 8.360 nan 0.000 0.467 639 L N 1.352 122.563 121.223 -0.020 0.000 1.994 639 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 639 L C 2.255 179.095 176.870 -0.050 0.000 1.071 639 L CA 1.757 56.569 54.840 -0.047 0.000 0.745 639 L CB -0.261 41.759 42.059 -0.064 0.000 0.892 639 L HN -0.069 nan 8.230 nan 0.000 0.431 640 R N -1.199 119.271 120.500 -0.050 0.000 2.081 640 R HA -0.136 4.204 4.340 -0.001 0.000 0.235 640 R C 2.539 178.848 176.300 0.015 0.000 1.131 640 R CA 1.399 57.476 56.100 -0.038 0.000 0.960 640 R CB -0.643 29.603 30.300 -0.091 0.000 0.856 640 R HN 0.461 nan 8.270 nan 0.000 0.436 641 S N -0.364 115.351 115.700 0.024 0.000 2.399 641 S HA -0.123 4.347 4.470 -0.001 0.000 0.231 641 S C 1.734 176.331 174.600 -0.004 0.000 1.022 641 S CA 1.698 59.911 58.200 0.023 0.000 0.983 641 S CB -0.096 63.112 63.200 0.014 0.000 0.803 641 S HN 0.308 nan 8.310 nan 0.000 0.480 642 T N 2.041 116.577 114.554 -0.031 0.000 2.857 642 T HA 0.152 4.501 4.350 -0.001 0.000 0.266 642 T C 1.684 176.326 174.700 -0.097 0.000 1.048 642 T CA 1.165 63.225 62.100 -0.066 0.000 1.139 642 T CB -0.249 68.573 68.868 -0.078 0.000 0.874 642 T HN 0.386 nan 8.240 nan 0.000 0.455 643 I N 0.975 121.488 120.570 -0.094 0.000 2.226 643 I HA -0.146 4.024 4.170 -0.001 0.000 0.245 643 I C 2.225 178.285 176.117 -0.094 0.000 1.100 643 I CA 1.149 62.349 61.300 -0.167 0.000 1.374 643 I CB -0.441 37.499 38.000 -0.099 0.000 1.057 643 I HN 0.203 nan 8.210 nan 0.000 0.413 644 L N -0.024 121.242 121.223 0.071 0.000 2.012 644 L HA -0.243 4.097 4.340 -0.001 0.000 0.210 644 L C 2.830 179.763 176.870 0.105 0.000 1.073 644 L CA 1.294 56.239 54.840 0.174 0.000 0.748 644 L CB -0.736 41.403 42.059 0.134 0.000 0.891 644 L HN 0.232 nan 8.230 nan 0.000 0.431 645 R N -0.072 120.438 120.500 0.017 0.000 2.091 645 R HA -0.145 4.195 4.340 -0.001 0.000 0.238 645 R C 2.454 178.721 176.300 -0.055 0.000 1.136 645 R CA 1.754 57.844 56.100 -0.017 0.000 0.959 645 R CB -0.492 29.778 30.300 -0.050 0.000 0.856 645 R HN 0.301 nan 8.270 nan 0.000 0.437 646 S N 0.236 115.849 115.700 -0.145 0.000 2.368 646 S HA -0.110 4.359 4.470 -0.001 0.000 0.225 646 S C 1.669 176.168 174.600 -0.167 0.000 1.030 646 S CA 1.206 59.264 58.200 -0.236 0.000 0.999 646 S CB -0.261 62.701 63.200 -0.397 0.000 0.844 646 S HN 0.211 nan 8.310 nan 0.000 0.459 647 F N 1.501 121.436 119.950 -0.025 0.000 2.186 647 F HA 0.053 4.579 4.527 -0.001 0.000 0.299 647 F C 1.999 177.792 175.800 -0.012 0.000 1.090 647 F CA 0.218 58.211 58.000 -0.010 0.000 1.307 647 F CB -0.673 38.325 39.000 -0.002 0.000 1.019 647 F HN 0.177 nan 8.300 nan 0.000 0.489 648 I N -0.475 120.196 120.570 0.168 0.000 2.179 648 I HA -0.308 3.861 4.170 -0.001 0.000 0.242 648 I C 2.217 178.366 176.117 0.053 0.000 1.088 648 I CA 1.366 62.723 61.300 0.094 0.000 1.357 648 I CB -0.539 37.501 38.000 0.066 0.000 1.051 648 I HN 0.100 nan 8.210 nan 0.000 0.409 649 L N -0.051 121.184 121.223 0.021 0.000 2.109 649 L HA -0.150 4.190 4.340 -0.001 0.000 0.207 649 L C 2.496 179.365 176.870 -0.002 0.000 1.086 649 L CA 0.934 55.773 54.840 -0.002 0.000 0.760 649 L CB -0.474 41.566 42.059 -0.032 0.000 0.910 649 L HN 0.227 nan 8.230 nan 0.000 0.437 650 L N -0.304 120.923 121.223 0.007 0.000 2.046 650 L HA -0.224 4.115 4.340 -0.001 0.000 0.208 650 L C 2.417 179.290 176.870 0.005 0.000 1.077 650 L CA 1.314 56.161 54.840 0.011 0.000 0.747 650 L CB -0.424 41.675 42.059 0.067 0.000 0.896 650 L HN 0.256 nan 8.230 nan 0.000 0.432 651 L N -0.979 120.273 121.223 0.047 0.000 2.291 651 L HA -0.107 4.233 4.340 -0.001 0.000 0.214 651 L C 2.358 179.229 176.870 0.002 0.000 1.120 651 L CA 0.663 55.520 54.840 0.029 0.000 0.799 651 L CB -0.293 41.797 42.059 0.051 0.000 0.925 651 L HN 0.139 nan 8.230 nan 0.000 0.446 652 R N -0.886 119.614 120.500 0.001 0.000 2.310 652 R HA 0.055 4.395 4.340 -0.001 0.000 0.202 652 R C 0.162 176.442 176.300 -0.034 0.000 0.933 652 R CA 0.152 56.250 56.100 -0.003 0.000 1.054 652 R CB 0.216 30.524 30.300 0.013 0.000 0.985 652 R HN 0.059 nan 8.270 nan 0.000 0.489 653 T N 1.873 116.372 114.554 -0.092 0.000 2.728 653 T HA 0.138 4.488 4.350 -0.001 0.000 0.296 653 T C -1.926 172.589 174.700 -0.308 0.000 0.940 653 T CA -1.673 60.294 62.100 -0.221 0.000 1.013 653 T CB 1.647 70.296 68.868 -0.364 0.000 0.912 653 T HN -0.038 nan 8.240 nan 0.000 0.484 654 P HA -0.132 nan 4.420 nan 0.000 0.216 654 P C 1.173 178.440 177.300 -0.054 0.000 1.157 654 P CA 1.175 64.234 63.100 -0.068 0.000 0.880 654 P CB -0.077 31.654 31.700 0.052 0.000 0.791 655 F N -2.751 117.204 119.950 0.009 0.000 2.811 655 F HA 0.207 4.733 4.527 -0.001 0.000 0.301 655 F C 0.404 176.204 175.800 0.000 0.000 1.151 655 F CA -0.408 57.583 58.000 -0.016 0.000 1.412 655 F CB -1.334 37.625 39.000 -0.067 0.000 1.113 655 F HN -0.363 nan 8.300 nan 0.000 0.579 656 V N 4.876 124.665 119.914 -0.207 0.000 2.432 656 V HA 0.213 4.333 4.120 -0.001 0.000 0.271 656 V C -1.782 174.315 176.094 0.005 0.000 1.046 656 V CA -1.922 60.342 62.300 -0.061 0.000 0.945 656 V CB 0.620 32.362 31.823 -0.135 0.000 0.992 656 V HN 0.007 nan 8.190 nan 0.000 0.471 657 P HA 0.199 nan 4.420 nan 0.000 0.268 657 P C -0.309 177.010 177.300 0.033 0.000 1.204 657 P CA -0.168 62.957 63.100 0.041 0.000 0.768 657 P CB 1.113 32.842 31.700 0.049 0.000 0.842 658 K N 1.084 121.497 120.400 0.022 0.000 2.380 658 K HA 0.051 4.370 4.320 -0.001 0.000 0.198 658 K C 1.059 177.665 176.600 0.009 0.000 1.070 658 K CA 0.144 56.440 56.287 0.015 0.000 1.040 658 K CB 0.176 32.681 32.500 0.008 0.000 0.903 658 K HN 0.242 nan 8.250 nan 0.000 0.549 659 D N 0.738 121.145 120.400 0.012 0.000 2.126 659 D HA -0.174 4.465 4.640 -0.001 0.000 0.190 659 D C 1.760 178.062 176.300 0.003 0.000 1.001 659 D CA 1.737 55.742 54.000 0.008 0.000 0.841 659 D CB -0.298 40.509 40.800 0.012 0.000 0.949 659 D HN 0.367 nan 8.370 nan 0.000 0.446 660 G N -0.487 108.318 108.800 0.008 0.000 3.042 660 G HA2 0.060 4.020 3.960 -0.001 0.000 0.212 660 G HA3 0.060 4.020 3.960 -0.001 0.000 0.212 660 G C 1.608 176.505 174.900 -0.005 0.000 1.166 660 G CA 0.055 45.157 45.100 0.004 0.000 0.767 660 G HN 0.180 nan 8.290 nan 0.000 0.546 661 V N 1.224 121.133 119.914 -0.009 0.000 2.295 661 V HA -0.126 3.993 4.120 -0.001 0.000 0.246 661 V C 2.644 178.697 176.094 -0.069 0.000 1.049 661 V CA 1.294 63.578 62.300 -0.027 0.000 1.024 661 V CB -0.445 31.360 31.823 -0.030 0.000 0.648 661 V HN 0.355 nan 8.190 nan 0.000 0.447 662 L N 0.651 121.828 121.223 -0.077 0.000 2.610 662 L HA 0.027 4.367 4.340 -0.001 0.000 0.232 662 L C 1.622 178.431 176.870 -0.101 0.000 1.149 662 L CA 0.484 55.257 54.840 -0.112 0.000 0.872 662 L CB -0.543 41.449 42.059 -0.112 0.000 0.992 662 L HN 0.402 nan 8.230 nan 0.000 0.447 663 N N -0.641 118.024 118.700 -0.059 0.000 2.336 663 N HA 0.049 4.789 4.740 -0.001 0.000 0.189 663 N C 0.178 175.668 175.510 -0.033 0.000 1.113 663 N CA 0.223 53.248 53.050 -0.041 0.000 0.858 663 N CB 0.592 39.068 38.487 -0.017 0.000 0.970 663 N HN 0.023 nan 8.380 nan 0.000 0.471 664 V N 2.258 122.148 119.914 -0.040 0.000 2.432 664 V HA 0.284 4.404 4.120 -0.001 0.000 0.271 664 V C 0.333 176.412 176.094 -0.026 0.000 1.046 664 V CA -0.288 61.996 62.300 -0.026 0.000 0.945 664 V CB 0.916 32.726 31.823 -0.022 0.000 0.992 664 V HN 0.009 nan 8.190 nan 0.000 0.471 665 I N 5.422 125.990 120.570 -0.004 0.000 2.410 665 I HA 0.309 4.479 4.170 -0.001 0.000 0.286 665 I C 0.097 176.239 176.117 0.041 0.000 1.009 665 I CA -0.647 60.666 61.300 0.022 0.000 1.111 665 I CB 1.688 39.698 38.000 0.016 0.000 1.262 665 I HN 0.703 nan 8.210 nan 0.000 0.443 666 D N 5.187 125.639 120.400 0.087 0.000 2.382 666 D HA 0.019 4.658 4.640 -0.001 0.000 0.240 666 D C 0.839 177.178 176.300 0.066 0.000 1.146 666 D CA 0.050 54.092 54.000 0.070 0.000 0.897 666 D CB 1.322 42.182 40.800 0.100 0.000 1.197 666 D HN 0.651 nan 8.370 nan 0.000 0.432 667 E N 1.521 121.747 120.200 0.043 0.000 2.274 667 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 667 E C 1.507 178.131 176.600 0.042 0.000 0.996 667 E CA 0.930 57.351 56.400 0.036 0.000 0.840 667 E CB -0.529 29.184 29.700 0.023 0.000 0.772 667 E HN 0.592 nan 8.360 nan 0.000 0.491 668 N N 0.068 118.801 118.700 0.055 0.000 2.319 668 N HA -0.011 4.729 4.740 -0.001 0.000 0.189 668 N C 1.841 177.384 175.510 0.055 0.000 1.042 668 N CA 1.076 54.158 53.050 0.053 0.000 0.879 668 N CB -0.054 38.468 38.487 0.057 0.000 1.052 668 N HN 0.315 nan 8.380 nan 0.000 0.446 669 R N 0.557 121.102 120.500 0.074 0.000 2.276 669 R HA 0.188 4.527 4.340 -0.001 0.000 0.196 669 R C -0.039 176.278 176.300 0.029 0.000 0.961 669 R CA 0.066 56.186 56.100 0.034 0.000 1.024 669 R CB 0.191 30.476 30.300 -0.026 0.000 0.940 669 R HN 0.213 nan 8.270 nan 0.000 0.480 670 K N 1.037 121.470 120.400 0.055 0.000 3.096 670 K HA -0.217 4.103 4.320 -0.001 0.000 0.266 670 K C -0.899 175.729 176.600 0.045 0.000 1.043 670 K CA 0.906 57.224 56.287 0.052 0.000 0.758 670 K CB -1.268 31.259 32.500 0.045 0.000 1.260 670 K HN 0.369 nan 8.250 nan 0.000 0.481 671 E N 0.422 120.649 120.200 0.045 0.000 2.299 671 E HA 0.253 4.603 4.350 -0.001 0.000 0.265 671 E C -0.072 176.571 176.600 0.071 0.000 0.911 671 E CA -1.091 55.299 56.400 -0.016 0.000 0.789 671 E CB 1.175 30.724 29.700 -0.251 0.000 1.246 671 E HN 0.294 nan 8.360 nan 0.000 0.427 672 N N 1.354 120.028 118.700 -0.043 0.000 2.538 672 N HA 0.031 4.771 4.740 -0.001 0.000 0.292 672 N C 0.705 176.234 175.510 0.030 0.000 1.262 672 N CA -0.508 52.510 53.050 -0.054 0.000 0.976 672 N CB 0.261 38.608 38.487 -0.233 0.000 1.161 672 N HN 0.450 nan 8.380 nan 0.000 0.598 673 L N -0.103 121.073 121.223 -0.077 0.000 2.129 673 L HA -0.090 4.249 4.340 -0.001 0.000 0.212 673 L C 1.926 178.741 176.870 -0.091 0.000 1.087 673 L CA 1.499 56.265 54.840 -0.125 0.000 0.757 673 L CB -0.683 41.188 42.059 -0.314 0.000 0.896 673 L HN 0.576 nan 8.230 nan 0.000 0.434 674 I N -0.835 119.657 120.570 -0.129 0.000 2.226 674 I HA -0.167 4.003 4.170 -0.001 0.000 0.245 674 I C 2.575 178.650 176.117 -0.070 0.000 1.100 674 I CA 1.363 62.604 61.300 -0.099 0.000 1.374 674 I CB -2.269 35.674 38.000 -0.095 0.000 1.057 674 I HN 0.367 nan 8.210 nan 0.000 0.413 675 G N 0.697 109.439 108.800 -0.095 0.000 2.418 675 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.217 675 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.217 675 G C 1.566 176.365 174.900 -0.169 0.000 1.158 675 G CA 0.521 45.532 45.100 -0.148 0.000 0.771 675 G HN 0.430 nan 8.290 nan 0.000 0.545 676 H N 0.268 119.314 119.070 -0.041 0.000 2.357 676 H HA 0.047 4.602 4.556 -0.001 0.000 0.301 676 H C 2.727 178.056 175.328 0.002 0.000 1.082 676 H CA 1.036 57.072 56.048 -0.020 0.000 1.342 676 H CB -0.015 29.730 29.762 -0.028 0.000 1.389 676 H HN 0.321 nan 8.280 nan 0.000 0.511 677 I N 0.306 120.933 120.570 0.096 0.000 2.208 677 I HA -0.297 3.872 4.170 -0.001 0.000 0.245 677 I C 2.660 178.835 176.117 0.097 0.000 1.097 677 I CA 0.887 62.233 61.300 0.076 0.000 1.363 677 I CB -0.233 37.774 38.000 0.012 0.000 1.051 677 I HN 0.231 nan 8.210 nan 0.000 0.413 678 C N 0.501 119.826 119.300 0.042 0.000 2.429 678 C HA -0.122 4.337 4.460 -0.001 0.000 0.277 678 C C 3.168 178.247 174.990 0.149 0.000 1.262 678 C CA 0.921 59.976 59.018 0.062 0.000 1.733 678 C CB -1.197 26.515 27.740 -0.046 0.000 2.010 678 C HN 0.604 nan 8.230 nan 0.000 0.483 679 A N 0.338 123.212 122.820 0.089 0.000 1.933 679 A HA 0.081 4.401 4.320 -0.001 0.000 0.218 679 A C 2.329 180.031 177.584 0.196 0.000 1.175 679 A CA 1.993 54.097 52.037 0.112 0.000 0.628 679 A CB -0.750 18.270 19.000 0.033 0.000 0.814 679 A HN 0.568 nan 8.150 nan 0.000 0.444 680 A N -1.408 121.522 122.820 0.184 0.000 1.873 680 A HA -0.073 4.247 4.320 -0.001 0.000 0.215 680 A C 2.129 179.941 177.584 0.379 0.000 1.186 680 A CA 1.572 53.739 52.037 0.217 0.000 0.616 680 A CB -0.864 18.215 19.000 0.133 0.000 0.823 680 A HN 0.696 nan 8.150 nan 0.000 0.442 681 Y N 1.152 121.581 120.300 0.215 0.000 2.097 681 Y HA -0.233 4.317 4.550 -0.000 0.000 0.282 681 Y C 2.781 178.900 175.900 0.366 0.000 1.152 681 Y CA 2.077 60.328 58.100 0.252 0.000 1.136 681 Y CB -0.463 38.125 38.460 0.213 0.000 0.975 681 Y HN 0.286 nan 8.280 nan 0.000 0.498 682 S N -0.457 115.489 115.700 0.409 0.000 2.399 682 S HA -0.239 4.230 4.470 -0.001 0.000 0.231 682 S C 1.526 176.293 174.600 0.278 0.000 1.022 682 S CA 1.260 59.644 58.200 0.307 0.000 0.983 682 S CB -0.768 62.579 63.200 0.245 0.000 0.803 682 S HN 0.774 nan 8.310 nan 0.000 0.480 683 W N 1.546 122.896 121.300 0.084 0.000 2.381 683 W HA -0.080 4.579 4.660 -0.000 0.000 0.301 683 W C 2.016 178.520 176.519 -0.024 0.000 1.205 683 W CA 0.743 58.109 57.345 0.035 0.000 1.285 683 W CB -0.637 28.841 29.460 0.031 0.000 1.133 683 W HN 0.026 nan 8.180 nan 0.000 0.521 684 V N 0.989 120.894 119.914 -0.014 0.000 2.568 684 V HA -0.278 3.842 4.120 -0.001 0.000 0.253 684 V C 1.887 177.630 176.094 -0.585 0.000 1.072 684 V CA 1.950 63.986 62.300 -0.439 0.000 1.084 684 V CB -0.698 30.920 31.823 -0.342 0.000 0.676 684 V HN 0.204 nan 8.190 nan 0.000 0.469 685 F N -0.449 119.336 119.950 -0.275 0.000 2.512 685 F HA 0.107 4.634 4.527 -0.001 0.000 0.296 685 F C 2.288 177.957 175.800 -0.218 0.000 1.110 685 F CA 0.582 58.439 58.000 -0.238 0.000 1.446 685 F CB -0.205 38.664 39.000 -0.218 0.000 1.092 685 F HN 0.025 nan 8.300 nan 0.000 0.554 686 R N -0.022 120.415 120.500 -0.105 0.000 2.275 686 R HA 0.055 4.395 4.340 -0.001 0.000 0.199 686 R C 0.694 176.849 176.300 -0.241 0.000 0.989 686 R CA 0.270 56.289 56.100 -0.135 0.000 1.016 686 R CB -0.399 29.834 30.300 -0.111 0.000 0.918 686 R HN 0.097 nan 8.270 nan 0.000 0.473 687 Q N 1.345 120.904 119.800 -0.402 0.000 2.421 687 Q HA 0.129 4.468 4.340 -0.001 0.000 0.255 687 Q C -2.027 173.825 176.000 -0.248 0.000 1.013 687 Q CA -1.629 53.920 55.803 -0.424 0.000 0.895 687 Q CB 0.119 28.484 28.738 -0.622 0.000 1.271 687 Q HN 0.100 nan 8.270 nan 0.000 0.460 688 P HA -0.008 nan 4.420 nan 0.000 0.265 688 P C -0.538 176.688 177.300 -0.124 0.000 1.193 688 P CA -0.010 63.015 63.100 -0.126 0.000 0.765 688 P CB 0.445 32.085 31.700 -0.099 0.000 0.823 689 N N 2.546 121.191 118.700 -0.093 0.000 2.530 689 N HA 0.186 4.925 4.740 -0.001 0.000 0.273 689 N C 0.152 175.621 175.510 -0.068 0.000 1.173 689 N CA 0.301 53.302 53.050 -0.081 0.000 0.967 689 N CB 0.072 38.523 38.487 -0.060 0.000 1.109 689 N HN 0.510 nan 8.380 nan 0.000 0.453 690 N N -0.178 118.481 118.700 -0.067 0.000 3.270 690 N HA -0.050 4.690 4.740 -0.001 0.000 0.227 690 N C 0.149 175.627 175.510 -0.053 0.000 1.071 690 N CA -0.123 52.894 53.050 -0.056 0.000 1.073 690 N CB 0.656 39.107 38.487 -0.060 0.000 1.633 690 N HN 0.452 nan 8.380 nan 0.000 0.664 691 T N 0.567 115.096 114.554 -0.041 0.000 2.929 691 T HA -0.113 4.237 4.350 -0.001 0.000 0.271 691 T C 1.663 176.341 174.700 -0.037 0.000 1.085 691 T CA 0.817 62.895 62.100 -0.037 0.000 1.125 691 T CB 0.006 68.857 68.868 -0.028 0.000 0.874 691 T HN 0.500 nan 8.240 nan 0.000 0.494 692 R N 1.138 121.617 120.500 -0.035 0.000 2.092 692 R HA -0.065 4.275 4.340 -0.001 0.000 0.231 692 R C 2.565 178.842 176.300 -0.037 0.000 1.119 692 R CA 1.835 57.916 56.100 -0.031 0.000 0.970 692 R CB -0.378 29.907 30.300 -0.026 0.000 0.864 692 R HN 0.698 nan 8.270 nan 0.000 0.440 693 T N -2.491 112.033 114.554 -0.049 0.000 3.044 693 T HA 0.070 4.420 4.350 -0.001 0.000 0.250 693 T C 1.634 176.289 174.700 -0.075 0.000 1.081 693 T CA -0.239 61.826 62.100 -0.059 0.000 1.040 693 T CB 0.360 69.185 68.868 -0.071 0.000 0.962 693 T HN -0.018 nan 8.240 nan 0.000 0.506 694 Q N 1.637 121.392 119.800 -0.075 0.000 2.112 694 Q HA -0.120 4.220 4.340 -0.001 0.000 0.206 694 Q C 2.514 178.462 176.000 -0.086 0.000 0.987 694 Q CA 1.774 57.526 55.803 -0.086 0.000 0.858 694 Q CB -0.805 27.892 28.738 -0.069 0.000 0.905 694 Q HN 0.628 nan 8.270 nan 0.000 0.420 695 S N -0.541 115.118 115.700 -0.068 0.000 2.359 695 S HA -0.143 4.327 4.470 -0.001 0.000 0.224 695 S C 1.867 176.423 174.600 -0.073 0.000 1.035 695 S CA 1.905 60.066 58.200 -0.066 0.000 1.018 695 S CB -0.093 63.078 63.200 -0.049 0.000 0.876 695 S HN 0.492 nan 8.310 nan 0.000 0.448 696 T N 1.651 116.167 114.554 -0.063 0.000 2.857 696 T HA 0.040 4.390 4.350 -0.001 0.000 0.266 696 T C 1.795 176.452 174.700 -0.071 0.000 1.048 696 T CA 1.099 63.167 62.100 -0.054 0.000 1.139 696 T CB -0.201 68.649 68.868 -0.030 0.000 0.874 696 T HN 0.431 nan 8.240 nan 0.000 0.455 697 K N 1.001 121.339 120.400 -0.104 0.000 2.032 697 K HA -0.186 4.134 4.320 -0.001 0.000 0.209 697 K C 2.540 179.032 176.600 -0.179 0.000 1.048 697 K CA 1.441 57.631 56.287 -0.163 0.000 0.927 697 K CB -0.171 32.191 32.500 -0.230 0.000 0.712 697 K HN 0.172 nan 8.250 nan 0.000 0.441 698 Q N 1.496 121.198 119.800 -0.163 0.000 2.084 698 Q HA -0.236 4.103 4.340 -0.001 0.000 0.202 698 Q C 2.012 177.903 176.000 -0.182 0.000 0.978 698 Q CA 2.057 57.750 55.803 -0.182 0.000 0.844 698 Q CB -0.122 28.514 28.738 -0.171 0.000 0.898 698 Q HN 0.477 nan 8.270 nan 0.000 0.426 699 Q N -0.648 119.074 119.800 -0.129 0.000 2.172 699 Q HA -0.123 4.217 4.340 -0.001 0.000 0.200 699 Q C 2.049 178.017 176.000 -0.053 0.000 0.964 699 Q CA 1.250 56.992 55.803 -0.101 0.000 0.855 699 Q CB -0.409 28.287 28.738 -0.071 0.000 0.918 699 Q HN 0.521 nan 8.270 nan 0.000 0.444 700 L N 0.460 121.662 121.223 -0.035 0.000 2.056 700 L HA -0.124 4.216 4.340 -0.001 0.000 0.207 700 L C 2.181 179.095 176.870 0.072 0.000 1.078 700 L CA 0.812 55.666 54.840 0.024 0.000 0.749 700 L CB -0.084 41.996 42.059 0.036 0.000 0.901 700 L HN 0.166 nan 8.230 nan 0.000 0.433 701 V N 0.009 119.937 119.914 0.025 0.000 2.358 701 V HA -0.262 3.857 4.120 -0.001 0.000 0.246 701 V C 2.371 178.585 176.094 0.200 0.000 1.047 701 V CA 2.026 64.425 62.300 0.165 0.000 1.035 701 V CB -0.485 31.384 31.823 0.077 0.000 0.658 701 V HN 0.492 nan 8.190 nan 0.000 0.452 702 E N -0.185 120.010 120.200 -0.007 0.000 2.106 702 E HA -0.194 4.156 4.350 -0.001 0.000 0.192 702 E C 2.454 179.123 176.600 0.114 0.000 0.984 702 E CA 1.010 57.405 56.400 -0.007 0.000 0.806 702 E CB -0.139 29.409 29.700 -0.252 0.000 0.750 702 E HN 0.532 nan 8.360 nan 0.000 0.458 703 R N 0.125 120.671 120.500 0.078 0.000 2.115 703 R HA -0.032 4.307 4.340 -0.001 0.000 0.226 703 R C 2.377 178.746 176.300 0.115 0.000 1.100 703 R CA 1.249 57.401 56.100 0.088 0.000 0.980 703 R CB -0.178 30.160 30.300 0.065 0.000 0.875 703 R HN 0.083 nan 8.270 nan 0.000 0.445 704 T N 1.700 116.344 114.554 0.151 0.000 2.652 704 T HA -0.120 4.230 4.350 -0.001 0.000 0.267 704 T C 1.822 176.567 174.700 0.075 0.000 1.039 704 T CA 1.189 63.369 62.100 0.134 0.000 1.153 704 T CB -0.087 68.922 68.868 0.236 0.000 0.863 704 T HN 0.034 nan 8.240 nan 0.000 0.428 705 I N 1.331 121.974 120.570 0.122 0.000 2.163 705 I HA -0.136 4.033 4.170 -0.001 0.000 0.243 705 I C 2.730 178.895 176.117 0.081 0.000 1.085 705 I CA 1.247 62.603 61.300 0.094 0.000 1.347 705 I CB -1.638 36.477 38.000 0.192 0.000 1.044 705 I HN 0.239 nan 8.210 nan 0.000 0.408 706 S N 0.661 116.428 115.700 0.112 0.000 2.368 706 S HA -0.156 4.314 4.470 -0.001 0.000 0.225 706 S C 1.987 176.626 174.600 0.064 0.000 1.030 706 S CA 1.091 59.345 58.200 0.090 0.000 0.999 706 S CB -0.306 62.953 63.200 0.098 0.000 0.844 706 S HN 0.340 nan 8.310 nan 0.000 0.459 707 L N 1.578 122.839 121.223 0.064 0.000 2.109 707 L HA 0.183 4.523 4.340 -0.001 0.000 0.207 707 L C 2.020 178.900 176.870 0.017 0.000 1.086 707 L CA 1.466 56.337 54.840 0.051 0.000 0.760 707 L CB -0.660 41.441 42.059 0.071 0.000 0.910 707 L HN 0.364 nan 8.230 nan 0.000 0.437 708 L N -1.365 119.862 121.223 0.007 0.000 2.046 708 L HA -0.250 4.090 4.340 -0.001 0.000 0.208 708 L C 2.490 179.359 176.870 -0.002 0.000 1.077 708 L CA 1.297 56.130 54.840 -0.012 0.000 0.747 708 L CB -0.572 41.469 42.059 -0.029 0.000 0.896 708 L HN 0.302 nan 8.230 nan 0.000 0.432 709 L N -1.130 120.099 121.223 0.010 0.000 2.027 709 L HA -0.193 4.147 4.340 -0.001 0.000 0.206 709 L C 2.554 179.434 176.870 0.016 0.000 1.074 709 L CA 0.871 55.719 54.840 0.013 0.000 0.745 709 L CB -0.526 41.543 42.059 0.018 0.000 0.898 709 L HN 0.031 nan 8.230 nan 0.000 0.433 710 V N 0.191 120.118 119.914 0.022 0.000 2.332 710 V HA -0.313 3.807 4.120 -0.001 0.000 0.248 710 V C 2.431 178.531 176.094 0.009 0.000 1.055 710 V CA 1.732 64.045 62.300 0.023 0.000 1.038 710 V CB -0.366 31.477 31.823 0.034 0.000 0.651 710 V HN 0.341 nan 8.190 nan 0.000 0.450 711 L N -1.480 119.741 121.223 -0.004 0.000 2.042 711 L HA -0.256 4.083 4.340 -0.001 0.000 0.210 711 L C 2.521 179.381 176.870 -0.016 0.000 1.076 711 L CA 1.807 56.634 54.840 -0.022 0.000 0.749 711 L CB -0.402 41.631 42.059 -0.045 0.000 0.893 711 L HN 0.331 nan 8.230 nan 0.000 0.432 712 M N -0.663 118.932 119.600 -0.009 0.000 2.059 712 M HA -0.270 4.209 4.480 -0.001 0.000 0.259 712 M C 2.315 178.615 176.300 -0.001 0.000 1.072 712 M CA 2.087 57.382 55.300 -0.009 0.000 1.117 712 M CB -0.359 32.241 32.600 0.001 0.000 1.320 712 M HN 0.217 nan 8.290 nan 0.000 0.408 713 E N -0.130 120.075 120.200 0.009 0.000 2.031 713 E HA -0.270 4.079 4.350 -0.001 0.000 0.193 713 E C 2.007 178.613 176.600 0.011 0.000 0.994 713 E CA 1.427 57.836 56.400 0.015 0.000 0.800 713 E CB 0.024 29.738 29.700 0.023 0.000 0.752 713 E HN 0.323 nan 8.360 nan 0.000 0.447 714 Q N -0.706 119.099 119.800 0.009 0.000 2.311 714 Q HA 0.041 4.380 4.340 -0.001 0.000 0.203 714 Q C 1.345 177.346 176.000 0.002 0.000 0.954 714 Q CA 0.994 56.801 55.803 0.007 0.000 0.885 714 Q CB 0.239 28.982 28.738 0.008 0.000 0.963 714 Q HN 0.342 nan 8.270 nan 0.000 0.471 715 C N -1.071 118.227 119.300 -0.004 0.000 3.038 715 C HA 0.469 4.928 4.460 -0.001 0.000 0.279 715 C C 1.090 176.076 174.990 -0.007 0.000 1.276 715 C CA -0.046 58.967 59.018 -0.009 0.000 1.697 715 C CB -0.661 27.067 27.740 -0.021 0.000 2.032 715 C HN 0.616 nan 8.230 nan 0.000 0.636 716 G N 1.532 110.329 108.800 -0.004 0.000 2.338 716 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.296 716 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.296 716 G C 0.276 175.166 174.900 -0.016 0.000 1.040 716 G CA 0.509 45.607 45.100 -0.004 0.000 1.004 716 G HN 0.973 nan 8.290 nan 0.000 0.509 717 A N -0.777 122.027 122.820 -0.027 0.000 2.610 717 A HA 0.652 4.971 4.320 -0.001 0.000 0.290 717 A C 1.134 178.672 177.584 -0.076 0.000 1.001 717 A CA 1.080 53.094 52.037 -0.039 0.000 1.004 717 A CB 0.176 19.161 19.000 -0.025 0.000 1.220 717 A HN 0.502 nan 8.150 nan 0.000 0.507 718 E N 0.667 120.802 120.200 -0.109 0.000 2.065 718 E HA -0.242 4.107 4.350 -0.001 0.000 0.201 718 E C 1.777 178.129 176.600 -0.414 0.000 1.016 718 E CA 1.575 57.864 56.400 -0.185 0.000 0.818 718 E CB 0.007 29.637 29.700 -0.116 0.000 0.749 718 E HN 0.432 nan 8.360 nan 0.000 0.453 719 K N 0.385 120.423 120.400 -0.603 0.000 1.977 719 K HA -0.212 4.107 4.320 -0.001 0.000 0.218 719 K C 2.002 178.495 176.600 -0.179 0.000 1.051 719 K CA 1.908 57.877 56.287 -0.530 0.000 0.953 719 K CB -0.454 31.882 32.500 -0.274 0.000 0.727 719 K HN 0.293 nan 8.250 nan 0.000 0.445 720 E N 0.761 120.931 120.200 -0.050 0.000 2.160 720 E HA -0.130 4.219 4.350 -0.001 0.000 0.195 720 E C 2.215 178.950 176.600 0.225 0.000 0.991 720 E CA 0.985 57.471 56.400 0.142 0.000 0.810 720 E CB -0.714 29.121 29.700 0.225 0.000 0.742 720 E HN 0.075 nan 8.360 nan 0.000 0.466 721 V N 2.111 122.072 119.914 0.078 0.000 2.358 721 V HA -0.214 3.906 4.120 -0.001 0.000 0.246 721 V C 2.660 178.800 176.094 0.076 0.000 1.047 721 V CA 1.828 64.170 62.300 0.070 0.000 1.035 721 V CB -0.894 30.934 31.823 0.008 0.000 0.658 721 V HN 0.385 nan 8.190 nan 0.000 0.452 722 A N 0.740 123.579 122.820 0.032 0.000 1.877 722 A HA -0.290 4.030 4.320 -0.001 0.000 0.216 722 A C 2.241 179.866 177.584 0.068 0.000 1.186 722 A CA 2.069 54.138 52.037 0.054 0.000 0.620 722 A CB -0.512 18.521 19.000 0.055 0.000 0.822 722 A HN 0.749 nan 8.150 nan 0.000 0.443 723 Q N -2.315 117.502 119.800 0.029 0.000 2.172 723 Q HA -0.103 4.237 4.340 -0.001 0.000 0.200 723 Q C 1.308 177.328 176.000 0.034 0.000 0.964 723 Q CA 1.346 57.139 55.803 -0.017 0.000 0.855 723 Q CB -0.479 28.176 28.738 -0.139 0.000 0.918 723 Q HN 0.702 nan 8.270 nan 0.000 0.444 724 Y N 0.978 121.346 120.300 0.113 0.000 2.529 724 Y HA 0.147 4.697 4.550 -0.001 0.000 0.290 724 Y C 1.252 177.132 175.900 -0.033 0.000 1.177 724 Y CA 0.269 58.439 58.100 0.115 0.000 1.305 724 Y CB 0.691 39.175 38.460 0.039 0.000 1.047 724 Y HN 0.057 nan 8.280 nan 0.000 0.522 725 S N -0.850 114.912 115.700 0.104 0.000 2.575 725 S HA 0.017 4.487 4.470 -0.001 0.000 0.237 725 S C 1.313 175.905 174.600 -0.012 0.000 0.975 725 S CA -0.430 57.761 58.200 -0.015 0.000 0.960 725 S CB -0.473 62.746 63.200 0.033 0.000 0.822 725 S HN 0.640 nan 8.310 nan 0.000 0.472 726 Y N 1.551 121.892 120.300 0.069 0.000 2.241 726 Y HA -0.173 4.377 4.550 -0.001 0.000 0.286 726 Y C 2.137 178.095 175.900 0.096 0.000 1.166 726 Y CA 1.228 59.370 58.100 0.071 0.000 1.203 726 Y CB -1.255 37.221 38.460 0.026 0.000 0.977 726 Y HN 0.354 nan 8.280 nan 0.000 0.529 727 S N 1.737 117.125 115.700 -0.520 0.000 2.474 727 S HA -0.051 4.419 4.470 -0.001 0.000 0.235 727 S C 0.827 175.413 174.600 -0.022 0.000 0.997 727 S CA 0.350 58.398 58.200 -0.254 0.000 0.949 727 S CB -1.317 61.649 63.200 -0.389 0.000 0.766 727 S HN 0.590 nan 8.310 nan 0.000 0.517 728 I N -0.620 119.950 120.570 -0.000 0.000 2.437 728 I HA 0.566 4.736 4.170 -0.001 0.000 0.298 728 I C -0.442 175.728 176.117 0.088 0.000 0.984 728 I CA -0.869 60.472 61.300 0.068 0.000 1.214 728 I CB 1.048 39.015 38.000 -0.055 0.000 1.365 728 I HN -0.183 nan 8.210 nan 0.000 0.469 729 D N 4.493 124.924 120.400 0.051 0.000 2.358 729 D HA 0.048 4.688 4.640 -0.001 0.000 0.244 729 D C -0.385 175.747 176.300 -0.281 0.000 1.163 729 D CA -0.523 53.454 54.000 -0.037 0.000 0.945 729 D CB 1.487 42.235 40.800 -0.087 0.000 1.152 729 D HN 0.856 nan 8.370 nan 0.000 0.451 730 C N 4.068 122.893 119.300 -0.791 0.000 2.041 730 C HA -0.024 4.436 4.460 -0.001 0.000 0.416 730 C C -1.164 173.399 174.990 -0.712 0.000 1.521 730 C CA -1.111 57.003 59.018 -1.508 0.000 1.444 730 C CB -0.693 26.090 27.740 -1.595 0.000 2.659 730 C HN 0.452 nan 8.230 nan 0.000 0.615 731 P HA -0.100 nan 4.420 nan 0.000 0.222 731 P C 1.590 178.752 177.300 -0.230 0.000 1.147 731 P CA 0.692 63.641 63.100 -0.251 0.000 0.790 731 P CB -0.017 31.564 31.700 -0.199 0.000 0.780 732 L N 0.183 121.223 121.223 -0.305 0.000 2.129 732 L HA -0.166 4.174 4.340 -0.001 0.000 0.212 732 L C 1.580 178.348 176.870 -0.170 0.000 1.087 732 L CA 1.819 56.532 54.840 -0.211 0.000 0.757 732 L CB -1.208 40.747 42.059 -0.173 0.000 0.896 732 L HN -0.031 nan 8.230 nan 0.000 0.434 733 N N -0.669 117.919 118.700 -0.186 0.000 2.519 733 N HA -0.139 4.601 4.740 -0.001 0.000 0.186 733 N C 1.602 177.079 175.510 -0.055 0.000 1.062 733 N CA 0.603 53.577 53.050 -0.126 0.000 0.910 733 N CB -0.182 38.214 38.487 -0.153 0.000 0.958 733 N HN 0.267 nan 8.380 nan 0.000 0.445 734 L N 0.611 121.821 121.223 -0.022 0.000 2.275 734 L HA 0.005 4.344 4.340 -0.001 0.000 0.215 734 L C 1.757 178.689 176.870 0.104 0.000 1.119 734 L CA 1.040 55.944 54.840 0.107 0.000 0.790 734 L CB -0.579 41.596 42.059 0.194 0.000 0.919 734 L HN 0.178 nan 8.230 nan 0.000 0.443 735 L N -1.077 120.143 121.223 -0.005 0.000 2.628 735 L HA 0.100 4.439 4.340 -0.001 0.000 0.229 735 L C 0.994 177.868 176.870 0.008 0.000 1.137 735 L CA -0.172 54.666 54.840 -0.003 0.000 0.909 735 L CB -0.390 41.621 42.059 -0.081 0.000 1.137 735 L HN 0.153 nan 8.230 nan 0.000 0.470 736 N N 1.206 119.910 118.700 0.007 0.000 2.567 736 N HA 0.021 4.761 4.740 -0.001 0.000 0.195 736 N C 0.754 176.276 175.510 0.019 0.000 1.242 736 N CA 0.315 53.365 53.050 0.000 0.000 0.884 736 N CB 0.299 38.777 38.487 -0.015 0.000 1.007 736 N HN 0.372 nan 8.380 nan 0.000 0.450 737 G N -1.173 107.651 108.800 0.041 0.000 3.217 737 G HA2 0.334 4.294 3.960 -0.001 0.000 0.213 737 G HA3 0.334 4.294 3.960 -0.001 0.000 0.213 737 G C 0.508 175.436 174.900 0.047 0.000 1.294 737 G CA -0.084 45.043 45.100 0.044 0.000 0.987 737 G HN 0.199 nan 8.290 nan 0.000 0.584 738 N N 0.136 118.864 118.700 0.046 0.000 2.362 738 N HA 0.155 4.894 4.740 -0.001 0.000 0.211 738 N C 0.762 176.310 175.510 0.064 0.000 1.170 738 N CA -0.020 53.057 53.050 0.046 0.000 0.828 738 N CB -0.243 38.264 38.487 0.032 0.000 1.034 738 N HN 0.419 nan 8.380 nan 0.000 0.475 739 Q N 0.526 120.381 119.800 0.092 0.000 2.264 739 Q HA 0.036 4.376 4.340 -0.001 0.000 0.296 739 Q C 1.376 177.451 176.000 0.125 0.000 1.103 739 Q CA 0.275 56.162 55.803 0.140 0.000 0.967 739 Q CB 0.662 29.545 28.738 0.240 0.000 1.090 739 Q HN 0.609 nan 8.270 nan 0.000 0.379 740 V N 0.068 120.051 119.914 0.116 0.000 3.570 740 V HA 0.165 4.284 4.120 -0.001 0.000 0.257 740 V C 0.803 176.968 176.094 0.120 0.000 1.272 740 V CA 0.024 62.388 62.300 0.107 0.000 1.079 740 V CB -0.006 31.864 31.823 0.080 0.000 0.829 740 V HN 0.506 nan 8.190 nan 0.000 0.454 741 K N 3.175 123.656 120.400 0.135 0.000 2.405 741 K HA 0.097 4.416 4.320 -0.001 0.000 0.276 741 K C -1.117 175.580 176.600 0.161 0.000 1.099 741 K CA -0.475 55.894 56.287 0.138 0.000 1.120 741 K CB 0.944 33.522 32.500 0.130 0.000 0.877 741 K HN 0.279 nan 8.250 nan 0.000 0.472 742 P HA -0.124 nan 4.420 nan 0.000 0.219 742 P C 1.076 178.438 177.300 0.104 0.000 1.150 742 P CA 1.104 64.259 63.100 0.091 0.000 0.814 742 P CB 0.259 32.013 31.700 0.089 0.000 0.787 743 T N -1.467 113.166 114.554 0.133 0.000 2.951 743 T HA -0.062 4.288 4.350 -0.001 0.000 0.268 743 T C 1.355 176.187 174.700 0.219 0.000 1.073 743 T CA 0.427 62.621 62.100 0.156 0.000 1.134 743 T CB -0.662 68.280 68.868 0.125 0.000 0.884 743 T HN -0.123 nan 8.240 nan 0.000 0.479 744 F N 1.684 121.667 119.950 0.055 0.000 2.128 744 F HA 0.114 4.641 4.527 -0.001 0.000 0.295 744 F C 1.810 177.632 175.800 0.037 0.000 1.100 744 F CA 0.744 58.771 58.000 0.045 0.000 1.260 744 F CB -0.641 38.381 39.000 0.037 0.000 1.009 744 F HN 0.136 nan 8.300 nan 0.000 0.476 745 I N -0.162 120.353 120.570 -0.090 0.000 2.118 745 I HA -0.384 3.786 4.170 -0.001 0.000 0.241 745 I C 2.529 178.563 176.117 -0.138 0.000 1.070 745 I CA 2.056 63.230 61.300 -0.209 0.000 1.327 745 I CB -0.872 37.050 38.000 -0.129 0.000 1.034 745 I HN 0.209 nan 8.210 nan 0.000 0.405 746 H N 1.418 120.420 119.070 -0.112 0.000 2.352 746 H HA -0.157 4.399 4.556 -0.001 0.000 0.299 746 H C 2.034 177.325 175.328 -0.062 0.000 1.097 746 H CA 1.959 57.964 56.048 -0.072 0.000 1.311 746 H CB -0.090 29.657 29.762 -0.026 0.000 1.377 746 H HN 0.228 nan 8.280 nan 0.000 0.504 747 N N -0.291 118.350 118.700 -0.099 0.000 2.142 747 N HA -0.122 4.617 4.740 -0.001 0.000 0.186 747 N C 2.149 177.555 175.510 -0.174 0.000 1.023 747 N CA 1.175 54.153 53.050 -0.120 0.000 0.852 747 N CB -0.497 38.008 38.487 0.030 0.000 0.998 747 N HN 0.214 nan 8.380 nan 0.000 0.424 748 V N 1.553 121.306 119.914 -0.268 0.000 2.261 748 V HA -0.187 3.933 4.120 -0.001 0.000 0.246 748 V C 2.333 178.319 176.094 -0.180 0.000 1.047 748 V CA 1.269 63.403 62.300 -0.277 0.000 1.015 748 V CB -0.521 31.027 31.823 -0.459 0.000 0.642 748 V HN 0.219 nan 8.190 nan 0.000 0.446 749 L N -0.609 120.505 121.223 -0.181 0.000 2.012 749 L HA -0.179 4.160 4.340 -0.001 0.000 0.210 749 L C 2.434 179.240 176.870 -0.106 0.000 1.073 749 L CA 1.334 56.105 54.840 -0.114 0.000 0.748 749 L CB -0.752 41.245 42.059 -0.103 0.000 0.891 749 L HN 0.187 nan 8.230 nan 0.000 0.431 750 V N -1.123 118.668 119.914 -0.206 0.000 2.358 750 V HA -0.226 3.894 4.120 -0.001 0.000 0.246 750 V C 2.315 178.368 176.094 -0.069 0.000 1.047 750 V CA 1.493 63.690 62.300 -0.173 0.000 1.035 750 V CB -0.058 31.583 31.823 -0.304 0.000 0.658 750 V HN 0.269 nan 8.190 nan 0.000 0.452 751 V N -0.818 119.058 119.914 -0.063 0.000 2.343 751 V HA -0.288 3.832 4.120 -0.001 0.000 0.247 751 V C 2.457 178.584 176.094 0.054 0.000 1.051 751 V CA 2.603 64.899 62.300 -0.008 0.000 1.036 751 V CB -0.285 31.526 31.823 -0.021 0.000 0.654 751 V HN 0.722 nan 8.190 nan 0.000 0.451 752 C N 0.068 119.405 119.300 0.063 0.000 2.432 752 C HA -0.153 4.306 4.460 -0.001 0.000 0.277 752 C C 2.491 177.593 174.990 0.187 0.000 1.249 752 C CA 1.639 60.776 59.018 0.198 0.000 1.725 752 C CB -1.185 26.665 27.740 0.183 0.000 2.028 752 C HN 0.822 nan 8.230 nan 0.000 0.477 753 D N 0.110 120.568 120.400 0.097 0.000 2.123 753 D HA -0.157 4.483 4.640 -0.001 0.000 0.196 753 D C 2.168 178.489 176.300 0.035 0.000 0.992 753 D CA 1.361 55.392 54.000 0.051 0.000 0.833 753 D CB -0.049 40.766 40.800 0.024 0.000 0.954 753 D HN 0.424 nan 8.370 nan 0.000 0.455 754 K N -0.405 120.029 120.400 0.056 0.000 2.097 754 K HA -0.042 4.278 4.320 -0.001 0.000 0.205 754 K C 2.152 178.841 176.600 0.148 0.000 1.050 754 K CA 0.747 57.090 56.287 0.093 0.000 0.938 754 K CB -0.001 32.552 32.500 0.088 0.000 0.718 754 K HN 0.273 nan 8.250 nan 0.000 0.442 755 I N 0.991 121.638 120.570 0.129 0.000 2.226 755 I HA -0.277 3.893 4.170 -0.001 0.000 0.245 755 I C 1.912 178.042 176.117 0.022 0.000 1.100 755 I CA 1.237 62.613 61.300 0.126 0.000 1.374 755 I CB -0.137 37.990 38.000 0.211 0.000 1.057 755 I HN 0.107 nan 8.210 nan 0.000 0.413 756 L N 0.052 121.244 121.223 -0.051 0.000 2.291 756 L HA -0.144 4.195 4.340 -0.001 0.000 0.214 756 L C 2.379 179.145 176.870 -0.174 0.000 1.120 756 L CA 0.701 55.427 54.840 -0.190 0.000 0.799 756 L CB -0.513 41.387 42.059 -0.266 0.000 0.925 756 L HN 0.227 nan 8.230 nan 0.000 0.446 757 E N 0.265 120.376 120.200 -0.149 0.000 2.153 757 E HA -0.225 4.125 4.350 -0.001 0.000 0.194 757 E C 1.649 177.975 176.600 -0.456 0.000 0.988 757 E CA 1.614 57.835 56.400 -0.299 0.000 0.811 757 E CB 0.095 29.588 29.700 -0.344 0.000 0.746 757 E HN 0.580 nan 8.360 nan 0.000 0.466 758 H N -2.924 116.105 119.070 -0.067 0.000 2.885 758 H HA 0.349 4.904 4.556 -0.001 0.000 0.260 758 H C -0.177 175.100 175.328 -0.085 0.000 0.985 758 H CA 0.304 56.314 56.048 -0.062 0.000 1.210 758 H CB 0.816 30.556 29.762 -0.037 0.000 1.466 758 H HN 0.037 nan 8.280 nan 0.000 0.493 759 C N 2.112 121.396 119.300 -0.028 0.000 3.414 759 C HA 0.238 4.697 4.460 -0.001 0.000 0.208 759 C C -1.496 173.370 174.990 -0.206 0.000 1.422 759 C CA -1.400 57.556 59.018 -0.103 0.000 1.437 759 C CB 0.817 28.503 27.740 -0.090 0.000 1.850 759 C HN 0.309 nan 8.230 nan 0.000 0.481 760 P HA -0.196 nan 4.420 nan 0.000 0.216 760 P C 1.904 179.034 177.300 -0.284 0.000 1.154 760 P CA 2.251 65.207 63.100 -0.239 0.000 0.865 760 P CB -0.032 31.562 31.700 -0.178 0.000 0.789 761 T N -2.997 111.417 114.554 -0.234 0.000 2.929 761 T HA -0.108 4.241 4.350 -0.001 0.000 0.271 761 T C 1.779 176.301 174.700 -0.295 0.000 1.085 761 T CA 0.755 62.725 62.100 -0.217 0.000 1.125 761 T CB -0.656 68.121 68.868 -0.150 0.000 0.874 761 T HN 0.096 nan 8.240 nan 0.000 0.494 762 R N 0.838 121.070 120.500 -0.446 0.000 2.152 762 R HA 0.122 4.462 4.340 -0.001 0.000 0.232 762 R C 2.884 178.648 176.300 -0.892 0.000 1.117 762 R CA 1.067 56.719 56.100 -0.746 0.000 0.981 762 R CB -0.627 29.026 30.300 -1.078 0.000 0.870 762 R HN 0.577 nan 8.270 nan 0.000 0.451 763 A N 1.463 123.871 122.820 -0.686 0.000 1.972 763 A HA -0.198 4.122 4.320 -0.001 0.000 0.219 763 A C 1.237 178.751 177.584 -0.117 0.000 1.169 763 A CA 1.922 53.643 52.037 -0.527 0.000 0.635 763 A CB -0.243 18.354 19.000 -0.672 0.000 0.810 763 A HN 0.263 nan 8.150 nan 0.000 0.446 764 D N -0.771 119.552 120.400 -0.127 0.000 2.305 764 D HA 0.097 4.737 4.640 -0.001 0.000 0.206 764 D C 1.597 177.914 176.300 0.029 0.000 0.974 764 D CA 0.527 54.523 54.000 -0.006 0.000 0.871 764 D CB -0.007 40.769 40.800 -0.040 0.000 0.947 764 D HN 0.507 nan 8.370 nan 0.000 0.516 765 I N -0.252 120.299 120.570 -0.033 0.000 2.480 765 I HA -0.026 4.144 4.170 -0.001 0.000 0.251 765 I C 0.534 176.775 176.117 0.208 0.000 1.124 765 I CA 0.145 61.466 61.300 0.035 0.000 1.444 765 I CB 0.056 38.037 38.000 -0.031 0.000 1.098 765 I HN 0.006 nan 8.210 nan 0.000 0.428 766 W N 1.858 123.213 121.300 0.092 0.000 2.148 766 W HA 0.137 4.797 4.660 -0.000 0.000 0.347 766 W C 0.278 176.859 176.519 0.104 0.000 1.288 766 W CA -0.374 57.038 57.345 0.112 0.000 1.252 766 W CB -0.292 29.279 29.460 0.185 0.000 1.156 766 W HN -0.168 nan 8.180 nan 0.000 0.580 767 T N 4.290 119.005 114.554 0.269 0.000 2.864 767 T HA 0.451 4.800 4.350 -0.001 0.000 0.310 767 T C -0.075 174.642 174.700 0.028 0.000 1.040 767 T CA -0.520 61.653 62.100 0.122 0.000 0.977 767 T CB 0.078 68.987 68.868 0.070 0.000 0.976 767 T HN 0.277 nan 8.240 nan 0.000 0.459 768 I N -0.486 120.066 120.570 -0.031 0.000 2.822 768 I HA 0.665 4.834 4.170 -0.001 0.000 0.312 768 I C -0.365 175.671 176.117 -0.135 0.000 1.011 768 I CA -0.947 60.269 61.300 -0.140 0.000 1.105 768 I CB 1.468 39.267 38.000 -0.334 0.000 1.291 768 I HN 0.238 nan 8.210 nan 0.000 0.474 769 D N 3.041 123.360 120.400 -0.134 0.000 2.453 769 D HA 0.146 4.785 4.640 -0.001 0.000 0.223 769 D C 0.938 177.161 176.300 -0.130 0.000 1.183 769 D CA 0.022 53.959 54.000 -0.104 0.000 0.933 769 D CB 0.667 41.420 40.800 -0.077 0.000 1.038 769 D HN 0.647 nan 8.370 nan 0.000 0.513 770 R N 3.425 123.845 120.500 -0.134 0.000 2.073 770 R HA -0.083 4.257 4.340 -0.001 0.000 0.234 770 R C -0.845 175.405 176.300 -0.084 0.000 1.134 770 R CA 1.093 57.109 56.100 -0.140 0.000 0.952 770 R CB -0.533 29.698 30.300 -0.116 0.000 0.850 770 R HN 0.322 nan 8.270 nan 0.000 0.433 771 P HA -0.260 nan 4.420 nan 0.000 0.215 771 P C 1.409 178.689 177.300 -0.032 0.000 1.163 771 P CA 1.509 64.589 63.100 -0.034 0.000 0.894 771 P CB -0.215 31.470 31.700 -0.026 0.000 0.791 772 M N -1.310 118.265 119.600 -0.041 0.000 2.080 772 M HA -0.196 4.283 4.480 -0.001 0.000 0.260 772 M C 1.974 178.252 176.300 -0.038 0.000 1.068 772 M CA 1.927 57.207 55.300 -0.034 0.000 1.109 772 M CB -0.830 31.744 32.600 -0.042 0.000 1.342 772 M HN -0.097 nan 8.290 nan 0.000 0.405 773 L N 1.460 122.644 121.223 -0.065 0.000 2.046 773 L HA -0.111 4.228 4.340 -0.001 0.000 0.208 773 L C 2.576 179.430 176.870 -0.025 0.000 1.077 773 L CA 2.744 57.547 54.840 -0.061 0.000 0.747 773 L CB -1.170 40.820 42.059 -0.115 0.000 0.896 773 L HN 0.463 nan 8.230 nan 0.000 0.432 774 E N -0.517 119.668 120.200 -0.025 0.000 2.150 774 E HA -0.065 4.285 4.350 -0.001 0.000 0.193 774 E C 2.125 178.731 176.600 0.010 0.000 0.985 774 E CA 1.098 57.496 56.400 -0.003 0.000 0.814 774 E CB -1.605 28.091 29.700 -0.006 0.000 0.752 774 E HN 0.678 nan 8.360 nan 0.000 0.466 775 G N 0.721 109.525 108.800 0.008 0.000 2.459 775 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.217 775 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.217 775 G C 1.755 176.684 174.900 0.049 0.000 1.183 775 G CA 1.012 46.127 45.100 0.024 0.000 0.776 775 G HN 0.479 nan 8.290 nan 0.000 0.552 776 L N 1.247 122.494 121.223 0.040 0.000 2.549 776 L HA -0.042 4.298 4.340 -0.001 0.000 0.230 776 L C 2.843 179.758 176.870 0.074 0.000 1.162 776 L CA 0.977 55.850 54.840 0.056 0.000 0.834 776 L CB -0.479 41.573 42.059 -0.011 0.000 0.947 776 L HN 0.180 nan 8.230 nan 0.000 0.452 777 T N -0.979 113.610 114.554 0.057 0.000 2.915 777 T HA -0.067 4.282 4.350 -0.001 0.000 0.269 777 T C 1.156 175.897 174.700 0.068 0.000 1.071 777 T CA 0.942 63.076 62.100 0.057 0.000 1.132 777 T CB -0.156 68.737 68.868 0.041 0.000 0.878 777 T HN 0.327 nan 8.240 nan 0.000 0.479 778 N N 1.244 119.988 118.700 0.073 0.000 2.453 778 N HA 0.053 4.793 4.740 -0.001 0.000 0.270 778 N C -0.425 175.129 175.510 0.075 0.000 1.195 778 N CA -0.104 52.981 53.050 0.059 0.000 0.902 778 N CB 0.068 38.575 38.487 0.034 0.000 1.186 778 N HN 0.500 nan 8.380 nan 0.000 0.510 779 H N 1.021 120.099 119.070 0.013 0.000 2.562 779 H HA 0.174 4.729 4.556 -0.001 0.000 0.352 779 H C 0.896 176.230 175.328 0.011 0.000 1.125 779 H CA 0.051 56.106 56.048 0.013 0.000 1.379 779 H CB 1.534 31.307 29.762 0.018 0.000 1.464 779 H HN 0.032 nan 8.280 nan 0.000 0.563 780 R N 1.755 122.003 120.500 -0.419 0.000 2.096 780 R HA -0.166 4.174 4.340 -0.001 0.000 0.240 780 R C 0.936 177.219 176.300 -0.029 0.000 1.139 780 R CA 1.091 57.056 56.100 -0.226 0.000 0.952 780 R CB -0.295 29.821 30.300 -0.306 0.000 0.854 780 R HN 0.503 nan 8.270 nan 0.000 0.436 781 N N 0.773 119.566 118.700 0.155 0.000 2.468 781 N HA -0.054 4.686 4.740 -0.001 0.000 0.265 781 N C 0.509 176.107 175.510 0.147 0.000 1.199 781 N CA 0.410 53.582 53.050 0.202 0.000 0.928 781 N CB 1.094 39.750 38.487 0.281 0.000 1.059 781 N HN 0.223 nan 8.380 nan 0.000 0.467 782 S N 2.589 118.327 115.700 0.062 0.000 2.406 782 S HA -0.077 4.393 4.470 -0.001 0.000 0.228 782 S C 1.055 175.676 174.600 0.035 0.000 1.020 782 S CA 0.559 58.785 58.200 0.044 0.000 0.965 782 S CB 0.131 63.344 63.200 0.022 0.000 0.798 782 S HN 0.545 nan 8.310 nan 0.000 0.488 783 D N 1.881 122.276 120.400 -0.009 0.000 2.097 783 D HA 0.091 4.731 4.640 -0.001 0.000 0.197 783 D C 1.915 178.253 176.300 0.062 0.000 0.984 783 D CA 0.845 54.815 54.000 -0.050 0.000 0.826 783 D CB -0.321 40.292 40.800 -0.312 0.000 0.973 783 D HN 0.391 nan 8.370 nan 0.000 0.460 784 I N 1.227 121.827 120.570 0.049 0.000 2.142 784 I HA -0.281 3.889 4.170 -0.001 0.000 0.240 784 I C 2.494 178.651 176.117 0.065 0.000 1.078 784 I CA 1.140 62.479 61.300 0.066 0.000 1.343 784 I CB -0.233 37.683 38.000 -0.140 0.000 1.046 784 I HN -0.078 nan 8.210 nan 0.000 0.405 785 A N 0.996 123.870 122.820 0.090 0.000 1.908 785 A HA -0.293 4.027 4.320 -0.001 0.000 0.218 785 A C 2.595 180.222 177.584 0.072 0.000 1.181 785 A CA 2.751 54.843 52.037 0.092 0.000 0.627 785 A CB -0.966 18.095 19.000 0.102 0.000 0.818 785 A HN 0.406 nan 8.150 nan 0.000 0.445 786 K N -0.617 119.828 120.400 0.074 0.000 2.025 786 K HA 0.211 4.530 4.320 -0.001 0.000 0.207 786 K C 2.415 179.058 176.600 0.072 0.000 1.049 786 K CA 1.929 58.257 56.287 0.068 0.000 0.933 786 K CB -1.431 31.110 32.500 0.067 0.000 0.714 786 K HN 0.948 nan 8.250 nan 0.000 0.438 787 A N 0.928 123.804 122.820 0.093 0.000 1.969 787 A HA 0.316 4.635 4.320 -0.001 0.000 0.218 787 A C 2.750 180.364 177.584 0.050 0.000 1.169 787 A CA 1.834 53.912 52.037 0.069 0.000 0.635 787 A CB -0.718 18.319 19.000 0.062 0.000 0.810 787 A HN 0.866 nan 8.150 nan 0.000 0.445 788 A N 1.510 124.359 122.820 0.050 0.000 1.902 788 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 788 A C 1.743 179.362 177.584 0.059 0.000 1.181 788 A CA 1.956 54.018 52.037 0.042 0.000 0.623 788 A CB -0.814 18.203 19.000 0.028 0.000 0.818 788 A HN 0.816 nan 8.150 nan 0.000 0.443 789 N N -0.747 117.987 118.700 0.057 0.000 2.463 789 N HA -0.011 4.728 4.740 -0.001 0.000 0.181 789 N C 1.277 176.823 175.510 0.060 0.000 1.078 789 N CA 1.209 54.294 53.050 0.059 0.000 0.902 789 N CB -0.267 38.249 38.487 0.048 0.000 0.970 789 N HN 0.258 nan 8.380 nan 0.000 0.451 790 S N 0.565 116.298 115.700 0.055 0.000 2.355 790 S HA -0.068 4.402 4.470 -0.001 0.000 0.222 790 S C 1.616 176.252 174.600 0.061 0.000 1.031 790 S CA 0.771 58.998 58.200 0.045 0.000 0.993 790 S CB -0.423 62.798 63.200 0.035 0.000 0.859 790 S HN 0.317 nan 8.310 nan 0.000 0.453 791 L N 1.498 122.777 121.223 0.093 0.000 2.109 791 L HA 0.128 4.468 4.340 -0.001 0.000 0.207 791 L C 2.024 179.064 176.870 0.283 0.000 1.086 791 L CA 1.231 56.171 54.840 0.165 0.000 0.760 791 L CB -0.720 41.454 42.059 0.193 0.000 0.910 791 L HN 0.248 nan 8.230 nan 0.000 0.437 792 L N -0.435 120.921 121.223 0.222 0.000 2.083 792 L HA -0.167 4.173 4.340 -0.001 0.000 0.209 792 L C 2.716 179.721 176.870 0.224 0.000 1.083 792 L CA 2.074 57.060 54.840 0.243 0.000 0.752 792 L CB -0.967 41.161 42.059 0.116 0.000 0.899 792 L HN 0.593 nan 8.230 nan 0.000 0.433 793 S N -1.042 114.734 115.700 0.126 0.000 2.442 793 S HA -0.148 4.322 4.470 -0.001 0.000 0.236 793 S C 1.944 176.563 174.600 0.033 0.000 1.007 793 S CA 0.495 58.737 58.200 0.070 0.000 0.965 793 S CB -0.546 62.674 63.200 0.034 0.000 0.773 793 S HN 0.513 nan 8.310 nan 0.000 0.504 794 R N -0.172 120.329 120.500 0.002 0.000 2.236 794 R HA 0.252 4.592 4.340 -0.001 0.000 0.208 794 R C -0.375 175.750 176.300 -0.292 0.000 1.036 794 R CA 0.171 56.157 56.100 -0.191 0.000 1.001 794 R CB -0.426 29.674 30.300 -0.335 0.000 0.896 794 R HN 0.461 nan 8.270 nan 0.000 0.464 795 F N 1.874 121.828 119.950 0.008 0.000 2.385 795 F HA 0.292 4.818 4.527 -0.000 0.000 0.336 795 F C -1.575 174.227 175.800 0.004 0.000 1.100 795 F CA -2.818 55.190 58.000 0.014 0.000 1.116 795 F CB 0.231 39.254 39.000 0.038 0.000 1.166 795 F HN -0.227 nan 8.300 nan 0.000 0.511 796 P HA -0.062 nan 4.420 nan 0.000 0.258 796 P C 0.534 177.897 177.300 0.106 0.000 1.172 796 P CA 0.372 63.534 63.100 0.104 0.000 0.762 796 P CB 0.582 32.339 31.700 0.096 0.000 0.764 797 E N 4.597 124.838 120.200 0.067 0.000 2.114 797 E HA -0.277 4.073 4.350 -0.001 0.000 0.199 797 E C 1.092 177.718 176.600 0.044 0.000 1.008 797 E CA 1.923 58.355 56.400 0.052 0.000 0.810 797 E CB -0.977 28.743 29.700 0.033 0.000 0.739 797 E HN 0.591 nan 8.360 nan 0.000 0.456 798 N N 0.000 118.724 118.700 0.040 0.000 1.763 798 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 798 N CA 0.000 53.069 53.050 0.031 0.000 0.885 798 N CB 0.000 38.503 38.487 0.027 0.000 1.341 798 N HN 0.000 nan 8.380 nan 0.000 0.667