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_B 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 MWIPTPNGXT 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 0.000 176.300 176.300 -0.000 0.000 1.140 180 M CA 0.000 55.299 55.300 -0.001 0.000 0.988 180 M CB 0.000 32.593 32.600 -0.011 0.000 1.302 181 N N 1.694 120.389 118.700 -0.009 0.000 2.530 181 N HA 0.219 4.960 4.740 0.001 0.000 0.273 181 N C 0.666 176.165 175.510 -0.018 0.000 1.173 181 N CA -0.269 52.779 53.050 -0.005 0.000 0.967 181 N CB 0.885 39.370 38.487 -0.004 0.000 1.109 181 N HN 0.742 nan 8.380 nan 0.000 0.453 182 I N -0.043 120.532 120.570 0.008 0.000 2.229 182 I HA -0.304 3.867 4.170 0.001 0.000 0.250 182 I C 1.738 177.808 176.117 -0.077 0.000 1.096 182 I CA 1.635 62.943 61.300 0.013 0.000 1.358 182 I CB -1.490 36.563 38.000 0.088 0.000 1.047 182 I HN 0.488 nan 8.210 nan 0.000 0.422 183 T N -0.039 114.466 114.554 -0.083 0.000 2.737 183 T HA -0.152 4.198 4.350 0.001 0.000 0.265 183 T C 2.254 176.737 174.700 -0.361 0.000 1.038 183 T CA 2.134 64.069 62.100 -0.275 0.000 1.144 183 T CB -0.733 68.103 68.868 -0.054 0.000 0.866 183 T HN 0.675 nan 8.240 nan 0.000 0.434 184 Q N 0.888 120.574 119.800 -0.191 0.000 2.123 184 Q HA 0.290 4.630 4.340 0.001 0.000 0.199 184 Q C 2.580 178.479 176.000 -0.169 0.000 0.966 184 Q CA 1.644 57.349 55.803 -0.162 0.000 0.845 184 Q CB -1.235 27.451 28.738 -0.087 0.000 0.907 184 Q HN 0.668 nan 8.270 nan 0.000 0.439 185 A N 1.075 123.809 122.820 -0.144 0.000 1.877 185 A HA 0.183 4.503 4.320 0.001 0.000 0.216 185 A C 2.756 180.234 177.584 -0.177 0.000 1.186 185 A CA 2.428 54.398 52.037 -0.112 0.000 0.620 185 A CB -0.967 17.997 19.000 -0.060 0.000 0.822 185 A HN 1.143 nan 8.150 nan 0.000 0.443 186 A N -0.765 121.875 122.820 -0.300 0.000 1.877 186 A HA 0.018 4.339 4.320 0.001 0.000 0.216 186 A C 2.198 179.513 177.584 -0.448 0.000 1.186 186 A CA 2.648 54.433 52.037 -0.420 0.000 0.620 186 A CB -1.231 17.299 19.000 -0.784 0.000 0.822 186 A HN 0.790 nan 8.150 nan 0.000 0.443 187 E N -0.518 119.377 120.200 -0.508 0.000 2.085 187 E HA -0.307 4.043 4.350 0.001 0.000 0.194 187 E C 2.051 178.546 176.600 -0.175 0.000 0.994 187 E CA 1.831 58.021 56.400 -0.350 0.000 0.801 187 E CB -0.836 28.688 29.700 -0.293 0.000 0.743 187 E HN 0.843 nan 8.360 nan 0.000 0.453 188 Q N -0.764 118.953 119.800 -0.138 0.000 2.084 188 Q HA -0.028 4.313 4.340 0.001 0.000 0.202 188 Q C 2.511 178.495 176.000 -0.028 0.000 0.978 188 Q CA 1.475 57.240 55.803 -0.064 0.000 0.844 188 Q CB -0.306 28.403 28.738 -0.049 0.000 0.898 188 Q HN 0.573 nan 8.270 nan 0.000 0.426 189 A N 0.741 123.532 122.820 -0.047 0.000 1.883 189 A HA -0.196 4.125 4.320 0.001 0.000 0.217 189 A C 1.976 179.606 177.584 0.077 0.000 1.186 189 A CA 1.530 53.575 52.037 0.013 0.000 0.624 189 A CB -0.729 18.255 19.000 -0.028 0.000 0.822 189 A HN 0.472 nan 8.150 nan 0.000 0.444 190 I N -0.473 120.101 120.570 0.008 0.000 2.226 190 I HA -0.268 3.903 4.170 0.001 0.000 0.245 190 I C 3.219 179.400 176.117 0.107 0.000 1.100 190 I CA 1.483 62.812 61.300 0.047 0.000 1.374 190 I CB -0.368 37.623 38.000 -0.015 0.000 1.057 190 I HN 0.438 nan 8.210 nan 0.000 0.413 191 R N 0.589 121.124 120.500 0.059 0.000 2.092 191 R HA -0.013 4.328 4.340 0.001 0.000 0.231 191 R C 1.844 178.219 176.300 0.125 0.000 1.119 191 R CA 1.410 57.557 56.100 0.077 0.000 0.970 191 R CB -1.328 28.987 30.300 0.025 0.000 0.864 191 R HN 0.283 nan 8.270 nan 0.000 0.440 192 L N -0.981 120.312 121.223 0.115 0.000 2.554 192 L HA 0.155 4.495 4.340 0.001 0.000 0.225 192 L C 2.180 179.125 176.870 0.125 0.000 1.104 192 L CA -0.003 54.898 54.840 0.102 0.000 0.866 192 L CB -0.087 41.998 42.059 0.043 0.000 1.047 192 L HN 0.607 nan 8.230 nan 0.000 0.468 193 W N 0.750 122.040 121.300 -0.017 0.000 2.277 193 W HA -0.358 4.303 4.660 0.001 0.000 0.327 193 W C 1.604 178.014 176.519 -0.183 0.000 1.284 193 W CA 1.995 59.255 57.345 -0.140 0.000 1.277 193 W CB -0.627 28.675 29.460 -0.263 0.000 1.141 193 W HN 0.196 nan 8.180 nan 0.000 0.482 194 F N 1.059 121.146 119.950 0.229 0.000 2.748 194 F HA -0.044 4.483 4.527 0.001 0.000 0.299 194 F C 1.902 177.704 175.800 0.003 0.000 1.154 194 F CA 1.014 59.092 58.000 0.129 0.000 1.446 194 F CB -0.655 38.459 39.000 0.190 0.000 1.112 194 F HN -0.094 nan 8.300 nan 0.000 0.584 195 N N -0.805 117.962 118.700 0.112 0.000 2.325 195 N HA 0.020 4.760 4.740 0.001 0.000 0.182 195 N C 0.132 175.611 175.510 -0.051 0.000 1.088 195 N CA 0.544 53.617 53.050 0.038 0.000 0.879 195 N CB 0.083 38.597 38.487 0.044 0.000 0.983 195 N HN 0.053 nan 8.380 nan 0.000 0.471 196 T N 2.300 116.765 114.554 -0.148 0.000 3.336 196 T HA 0.221 4.572 4.350 0.001 0.000 0.384 196 T C -2.166 172.340 174.700 -0.323 0.000 1.704 196 T CA -1.189 60.782 62.100 -0.215 0.000 1.334 196 T CB 1.743 70.474 68.868 -0.228 0.000 1.131 196 T HN 0.060 nan 8.240 nan 0.000 0.684 197 P HA 0.141 nan 4.420 nan 0.000 0.255 197 P C -0.213 176.969 177.300 -0.197 0.000 1.357 197 P CA -0.083 62.885 63.100 -0.220 0.000 0.839 197 P CB -0.061 31.569 31.700 -0.116 0.000 1.356 198 D N 1.065 121.344 120.400 -0.202 0.000 2.336 198 D HA 0.115 4.755 4.640 0.001 0.000 0.249 198 D C -1.340 174.842 176.300 -0.197 0.000 1.213 198 D CA -2.221 51.675 54.000 -0.174 0.000 0.870 198 D CB 0.943 41.660 40.800 -0.138 0.000 1.076 198 D HN -0.130 nan 8.370 nan 0.000 0.483 199 P HA -0.227 nan 4.420 nan 0.000 0.217 199 P C 1.246 178.483 177.300 -0.104 0.000 1.158 199 P CA 1.167 64.140 63.100 -0.211 0.000 0.887 199 P CB 0.068 31.485 31.700 -0.471 0.000 0.792 200 M N -1.369 118.152 119.600 -0.131 0.000 2.319 200 M HA -0.093 4.388 4.480 0.001 0.000 0.265 200 M C 2.392 178.697 176.300 0.008 0.000 1.068 200 M CA 1.968 57.244 55.300 -0.040 0.000 1.118 200 M CB -1.480 31.072 32.600 -0.080 0.000 1.395 200 M HN -0.119 nan 8.290 nan 0.000 0.435 201 Q N -0.209 119.567 119.800 -0.041 0.000 2.187 201 Q HA -0.078 4.263 4.340 0.001 0.000 0.199 201 Q C 2.133 178.121 176.000 -0.020 0.000 0.957 201 Q CA 1.629 57.426 55.803 -0.010 0.000 0.857 201 Q CB -0.829 27.871 28.738 -0.063 0.000 0.929 201 Q HN 0.635 nan 8.270 nan 0.000 0.453 202 R N -0.449 119.966 120.500 -0.143 0.000 2.091 202 R HA -0.066 4.275 4.340 0.001 0.000 0.238 202 R C 2.356 178.737 176.300 0.134 0.000 1.136 202 R CA 1.494 57.461 56.100 -0.222 0.000 0.959 202 R CB -0.447 29.604 30.300 -0.414 0.000 0.856 202 R HN 0.479 nan 8.270 nan 0.000 0.437 203 L N 0.051 121.365 121.223 0.152 0.000 2.046 203 L HA -0.185 4.156 4.340 0.001 0.000 0.208 203 L C 2.310 179.268 176.870 0.146 0.000 1.077 203 L CA 2.049 56.981 54.840 0.153 0.000 0.747 203 L CB -0.581 41.581 42.059 0.172 0.000 0.896 203 L HN 0.182 nan 8.230 nan 0.000 0.432 204 H N -1.281 117.826 119.070 0.062 0.000 2.389 204 H HA -0.171 4.386 4.556 0.001 0.000 0.299 204 H C 2.136 177.508 175.328 0.073 0.000 1.081 204 H CA 2.268 58.345 56.048 0.048 0.000 1.345 204 H CB -0.104 29.670 29.762 0.020 0.000 1.393 204 H HN 0.354 nan 8.280 nan 0.000 0.520 205 M N -0.302 119.291 119.600 -0.012 0.000 2.117 205 M HA -0.106 4.374 4.480 0.001 0.000 0.262 205 M C 2.446 178.788 176.300 0.071 0.000 1.065 205 M CA 1.767 57.077 55.300 0.017 0.000 1.114 205 M CB -0.141 32.578 32.600 0.200 0.000 1.361 205 M HN 0.464 nan 8.290 nan 0.000 0.408 206 A N -0.128 122.794 122.820 0.169 0.000 1.930 206 A HA -0.177 4.144 4.320 0.001 0.000 0.217 206 A C 2.033 179.630 177.584 0.022 0.000 1.175 206 A CA 1.703 53.798 52.037 0.097 0.000 0.627 206 A CB -0.524 18.559 19.000 0.138 0.000 0.815 206 A HN 0.490 nan 8.150 nan 0.000 0.443 207 K N -0.729 119.675 120.400 0.006 0.000 2.057 207 K HA -0.093 4.228 4.320 0.001 0.000 0.207 207 K C 2.108 178.683 176.600 -0.042 0.000 1.049 207 K CA 1.730 58.014 56.287 -0.005 0.000 0.931 207 K CB -0.426 32.083 32.500 0.015 0.000 0.714 207 K HN 0.482 nan 8.250 nan 0.000 0.440 208 T N 1.888 116.358 114.554 -0.140 0.000 2.652 208 T HA -0.147 4.204 4.350 0.001 0.000 0.267 208 T C 1.951 176.646 174.700 -0.008 0.000 1.039 208 T CA 1.424 63.444 62.100 -0.134 0.000 1.153 208 T CB -0.286 68.425 68.868 -0.262 0.000 0.863 208 T HN 0.129 nan 8.240 nan 0.000 0.428 209 I N 0.688 121.264 120.570 0.010 0.000 2.286 209 I HA -0.172 3.999 4.170 0.001 0.000 0.248 209 I C 2.803 178.990 176.117 0.116 0.000 1.115 209 I CA 1.254 62.618 61.300 0.106 0.000 1.392 209 I CB -0.376 37.657 38.000 0.055 0.000 1.065 209 I HN 0.129 nan 8.210 nan 0.000 0.418 210 R N 0.631 121.151 120.500 0.033 0.000 2.092 210 R HA -0.143 4.198 4.340 0.001 0.000 0.231 210 R C 2.161 178.472 176.300 0.020 0.000 1.119 210 R CA 1.990 58.091 56.100 0.002 0.000 0.970 210 R CB -0.238 30.059 30.300 -0.005 0.000 0.864 210 R HN 0.290 nan 8.270 nan 0.000 0.440 211 T N -0.321 114.264 114.554 0.051 0.000 2.857 211 T HA -0.159 4.192 4.350 0.001 0.000 0.266 211 T C 1.069 175.821 174.700 0.086 0.000 1.048 211 T CA 1.129 63.264 62.100 0.057 0.000 1.139 211 T CB -0.389 68.514 68.868 0.058 0.000 0.874 211 T HN 0.495 nan 8.240 nan 0.000 0.455 212 W N 2.074 123.319 121.300 -0.092 0.000 2.355 212 W HA -0.010 4.650 4.660 0.001 0.000 0.309 212 W C 1.642 178.057 176.519 -0.173 0.000 1.206 212 W CA 0.521 57.788 57.345 -0.129 0.000 1.284 212 W CB -0.656 28.709 29.460 -0.158 0.000 1.145 212 W HN 0.193 nan 8.180 nan 0.000 0.502 213 I N 0.372 120.742 120.570 -0.334 0.000 2.439 213 I HA -0.230 3.941 4.170 0.001 0.000 0.251 213 I C 2.696 178.670 176.117 -0.239 0.000 1.139 213 I CA 1.078 62.077 61.300 -0.502 0.000 1.438 213 I CB -0.596 37.238 38.000 -0.276 0.000 1.085 213 I HN -0.080 nan 8.210 nan 0.000 0.427 214 R N 0.165 120.597 120.500 -0.113 0.000 2.092 214 R HA -0.173 4.168 4.340 0.001 0.000 0.231 214 R C 2.167 178.441 176.300 -0.043 0.000 1.119 214 R CA 1.380 57.455 56.100 -0.040 0.000 0.970 214 R CB -0.101 30.202 30.300 0.005 0.000 0.864 214 R HN 0.512 nan 8.270 nan 0.000 0.440 215 Q N 0.055 119.813 119.800 -0.069 0.000 2.225 215 Q HA -0.081 4.260 4.340 0.001 0.000 0.193 215 Q C 1.933 177.877 176.000 -0.093 0.000 0.990 215 Q CA 1.244 57.020 55.803 -0.044 0.000 0.841 215 Q CB -0.108 28.632 28.738 0.003 0.000 0.941 215 Q HN 0.309 nan 8.270 nan 0.000 0.516 216 D N 0.934 121.229 120.400 -0.175 0.000 2.221 216 D HA -0.149 4.492 4.640 0.001 0.000 0.204 216 D C 0.809 176.968 176.300 -0.236 0.000 0.982 216 D CA 1.263 55.141 54.000 -0.204 0.000 0.857 216 D CB -0.430 40.204 40.800 -0.276 0.000 0.934 216 D HN 0.432 nan 8.370 nan 0.000 0.475 217 K N -2.797 117.416 120.400 -0.311 0.000 3.035 217 K HA -0.231 4.089 4.320 0.001 0.000 0.262 217 K C 0.014 176.601 176.600 -0.022 0.000 1.024 217 K CA 0.436 56.641 56.287 -0.138 0.000 0.748 217 K CB -1.921 30.565 32.500 -0.024 0.000 1.247 217 K HN 0.582 nan 8.250 nan 0.000 0.482 218 F N -4.428 115.277 119.950 -0.409 0.000 2.841 218 F HA -0.415 4.113 4.527 0.001 0.000 0.384 218 F C 1.847 177.580 175.800 -0.111 0.000 0.622 218 F CA 1.125 58.942 58.000 -0.305 0.000 1.044 218 F CB -1.887 36.957 39.000 -0.259 0.000 1.571 218 F HN 0.387 nan 8.300 nan 0.000 0.296 219 A N -0.580 122.271 122.820 0.051 0.000 1.971 219 A HA -0.324 3.997 4.320 0.001 0.000 0.222 219 A C 2.159 179.789 177.584 0.077 0.000 1.182 219 A CA 2.316 54.388 52.037 0.059 0.000 0.649 219 A CB -0.463 18.556 19.000 0.032 0.000 0.818 219 A HN 0.561 nan 8.150 nan 0.000 0.458 220 Q N -0.331 119.525 119.800 0.094 0.000 2.187 220 Q HA 0.029 4.370 4.340 0.001 0.000 0.199 220 Q C 0.656 176.740 176.000 0.140 0.000 0.957 220 Q CA 0.524 56.398 55.803 0.119 0.000 0.857 220 Q CB -0.437 28.391 28.738 0.150 0.000 0.929 220 Q HN 0.472 nan 8.270 nan 0.000 0.453 221 V N 2.615 122.644 119.914 0.190 0.000 2.763 221 V HA -0.071 4.050 4.120 0.001 0.000 0.306 221 V C 0.583 176.751 176.094 0.123 0.000 1.059 221 V CA -0.139 62.282 62.300 0.201 0.000 1.138 221 V CB 0.409 32.419 31.823 0.312 0.000 0.940 221 V HN 0.158 nan 8.190 nan 0.000 0.489 222 D N 3.127 123.583 120.400 0.093 0.000 2.401 222 D HA -0.009 4.632 4.640 0.001 0.000 0.254 222 D C 1.026 177.354 176.300 0.046 0.000 1.192 222 D CA 0.250 54.287 54.000 0.061 0.000 0.885 222 D CB 1.075 41.903 40.800 0.047 0.000 1.147 222 D HN 0.722 nan 8.370 nan 0.000 0.478 223 Q N 3.225 123.053 119.800 0.048 0.000 2.197 223 Q HA -0.242 4.098 4.340 0.001 0.000 0.207 223 Q C 1.427 177.455 176.000 0.047 0.000 0.984 223 Q CA 1.590 57.425 55.803 0.054 0.000 0.869 223 Q CB 0.097 28.872 28.738 0.062 0.000 0.906 223 Q HN 0.626 nan 8.270 nan 0.000 0.426 224 A N 0.306 123.146 122.820 0.034 0.000 2.067 224 A HA -0.062 4.259 4.320 0.001 0.000 0.217 224 A C 1.496 179.084 177.584 0.006 0.000 1.156 224 A CA 0.830 52.885 52.037 0.028 0.000 0.683 224 A CB -0.055 18.960 19.000 0.025 0.000 0.808 224 A HN 0.343 nan 8.150 nan 0.000 0.455 225 N N -0.680 118.017 118.700 -0.006 0.000 2.299 225 N HA 0.058 4.798 4.740 0.001 0.000 0.187 225 N C 1.388 176.844 175.510 -0.090 0.000 1.099 225 N CA 0.155 53.191 53.050 -0.023 0.000 0.867 225 N CB -0.043 38.450 38.487 0.009 0.000 0.974 225 N HN 0.300 nan 8.380 nan 0.000 0.477 226 M N 0.915 120.409 119.600 -0.176 0.000 2.088 226 M HA -0.126 4.354 4.480 0.001 0.000 0.256 226 M C -0.733 175.204 176.300 -0.605 0.000 1.071 226 M CA 1.803 56.820 55.300 -0.472 0.000 1.097 226 M CB -2.285 29.861 32.600 -0.757 0.000 1.315 226 M HN -0.089 nan 8.290 nan 0.000 0.406 227 P HA -0.125 nan 4.420 nan 0.000 0.224 227 P C 1.082 178.283 177.300 -0.165 0.000 1.142 227 P CA 1.185 64.137 63.100 -0.246 0.000 0.778 227 P CB -0.259 31.431 31.700 -0.016 0.000 0.764 228 N N -1.910 116.705 118.700 -0.141 0.000 2.516 228 N HA -0.046 4.695 4.740 0.001 0.000 0.197 228 N C 1.580 177.064 175.510 -0.044 0.000 1.064 228 N CA 0.117 53.125 53.050 -0.070 0.000 0.866 228 N CB -0.395 38.071 38.487 -0.035 0.000 1.255 228 N HN 0.062 nan 8.380 nan 0.000 0.447 229 C N 1.056 120.331 119.300 -0.041 0.000 2.413 229 C HA -0.003 4.458 4.460 0.001 0.000 0.276 229 C C 2.735 177.767 174.990 0.070 0.000 1.236 229 C CA 0.783 59.840 59.018 0.065 0.000 1.735 229 C CB -1.113 26.713 27.740 0.144 0.000 2.031 229 C HN 0.250 nan 8.230 nan 0.000 0.474 230 V N 0.768 120.604 119.914 -0.129 0.000 2.255 230 V HA -0.227 3.894 4.120 0.001 0.000 0.247 230 V C 2.653 178.729 176.094 -0.030 0.000 1.051 230 V CA 2.498 64.684 62.300 -0.189 0.000 1.018 230 V CB -1.002 30.485 31.823 -0.560 0.000 0.641 230 V HN 0.628 nan 8.190 nan 0.000 0.445 231 Q N -0.228 119.523 119.800 -0.082 0.000 2.170 231 Q HA -0.219 4.121 4.340 0.001 0.000 0.203 231 Q C 2.195 178.199 176.000 0.007 0.000 0.976 231 Q CA 1.805 57.578 55.803 -0.050 0.000 0.858 231 Q CB -0.319 28.380 28.738 -0.065 0.000 0.907 231 Q HN 0.687 nan 8.270 nan 0.000 0.433 232 Q N -0.610 119.212 119.800 0.037 0.000 2.020 232 Q HA -0.139 4.201 4.340 0.001 0.000 0.202 232 Q C 1.960 178.009 176.000 0.081 0.000 0.982 232 Q CA 1.500 57.349 55.803 0.077 0.000 0.838 232 Q CB -0.141 28.652 28.738 0.092 0.000 0.899 232 Q HN 0.440 nan 8.270 nan 0.000 0.423 233 I N 0.906 121.543 120.570 0.111 0.000 2.163 233 I HA -0.299 3.872 4.170 0.001 0.000 0.243 233 I C 2.375 178.483 176.117 -0.015 0.000 1.085 233 I CA 1.473 62.818 61.300 0.074 0.000 1.347 233 I CB -1.156 37.011 38.000 0.278 0.000 1.044 233 I HN 0.290 nan 8.210 nan 0.000 0.408 234 L N 0.664 121.920 121.223 0.054 0.000 2.079 234 L HA -0.228 4.113 4.340 0.001 0.000 0.210 234 L C 2.362 179.212 176.870 -0.033 0.000 1.081 234 L CA 1.243 56.062 54.840 -0.035 0.000 0.752 234 L CB -0.694 41.321 42.059 -0.073 0.000 0.896 234 L HN 0.343 nan 8.230 nan 0.000 0.433 235 N N 0.253 118.970 118.700 0.030 0.000 2.188 235 N HA -0.099 4.642 4.740 0.001 0.000 0.184 235 N C 1.898 177.479 175.510 0.118 0.000 1.018 235 N CA 1.202 54.333 53.050 0.135 0.000 0.858 235 N CB -0.143 38.437 38.487 0.155 0.000 0.989 235 N HN 0.324 nan 8.380 nan 0.000 0.426 236 I N 1.156 121.657 120.570 -0.116 0.000 2.142 236 I HA -0.232 3.939 4.170 0.001 0.000 0.240 236 I C 2.095 177.911 176.117 -0.502 0.000 1.078 236 I CA 0.907 61.797 61.300 -0.683 0.000 1.343 236 I CB -0.223 37.177 38.000 -1.000 0.000 1.046 236 I HN 0.018 nan 8.210 nan 0.000 0.405 237 I N -0.293 120.110 120.570 -0.279 0.000 2.118 237 I HA -0.377 3.793 4.170 0.001 0.000 0.241 237 I C 2.643 178.800 176.117 0.067 0.000 1.070 237 I CA 1.647 62.867 61.300 -0.133 0.000 1.327 237 I CB -0.599 37.329 38.000 -0.121 0.000 1.034 237 I HN 0.264 nan 8.210 nan 0.000 0.405 238 Y N 1.781 122.066 120.300 -0.024 0.000 2.165 238 Y HA -0.332 4.219 4.550 0.001 0.000 0.286 238 Y C 2.180 178.133 175.900 0.089 0.000 1.155 238 Y CA 1.982 60.135 58.100 0.088 0.000 1.164 238 Y CB -0.867 37.618 38.460 0.042 0.000 0.978 238 Y HN 0.323 nan 8.280 nan 0.000 0.513 239 D N -0.936 119.526 120.400 0.103 0.000 2.097 239 D HA -0.109 4.532 4.640 0.001 0.000 0.195 239 D C 2.466 178.910 176.300 0.240 0.000 0.989 239 D CA 1.754 55.824 54.000 0.117 0.000 0.827 239 D CB -0.733 40.194 40.800 0.212 0.000 0.966 239 D HN 0.409 nan 8.370 nan 0.000 0.456 240 G N 0.148 109.095 108.800 0.244 0.000 2.442 240 G HA2 -0.196 3.764 3.960 0.001 0.000 0.219 240 G HA3 -0.196 3.764 3.960 0.001 0.000 0.219 240 G C 1.644 176.823 174.900 0.466 0.000 1.141 240 G CA 0.623 45.974 45.100 0.417 0.000 0.763 240 G HN 0.361 nan 8.290 nan 0.000 0.554 241 L N -0.037 121.306 121.223 0.200 0.000 2.395 241 L HA 0.118 4.459 4.340 0.001 0.000 0.218 241 L C 1.174 178.054 176.870 0.016 0.000 1.130 241 L CA 0.258 55.015 54.840 -0.139 0.000 0.826 241 L CB -0.147 41.678 42.059 -0.391 0.000 0.941 241 L HN 0.077 nan 8.230 nan 0.000 0.451 242 K N 1.707 122.205 120.400 0.163 0.000 2.355 242 K HA 0.137 4.458 4.320 0.001 0.000 0.270 242 K C -2.170 174.576 176.600 0.242 0.000 1.003 242 K CA -1.548 54.829 56.287 0.150 0.000 0.957 242 K CB 0.051 32.612 32.500 0.101 0.000 0.939 242 K HN -0.145 nan 8.250 nan 0.000 0.482 243 P HA 0.109 nan 4.420 nan 0.000 0.286 243 P C -0.949 176.474 177.300 0.205 0.000 1.321 243 P CA -0.305 62.894 63.100 0.165 0.000 0.790 243 P CB 0.655 32.407 31.700 0.086 0.000 0.897 244 Q N 4.662 124.649 119.800 0.311 0.000 2.432 244 Q HA 0.035 4.375 4.340 0.001 0.000 0.264 244 Q C -0.778 175.321 176.000 0.164 0.000 1.035 244 Q CA -0.943 54.998 55.803 0.231 0.000 0.908 244 Q CB 0.053 28.935 28.738 0.240 0.000 1.280 244 Q HN 0.418 nan 8.270 nan 0.000 0.455 245 P HA -0.180 nan 4.420 nan 0.000 0.214 245 P C 0.487 177.828 177.300 0.069 0.000 1.163 245 P CA 1.307 64.451 63.100 0.072 0.000 0.889 245 P CB -0.346 31.381 31.700 0.044 0.000 0.790 246 V N -1.982 117.964 119.914 0.053 0.000 3.766 246 V HA 0.133 4.254 4.120 0.001 0.000 0.286 246 V C 0.550 176.683 176.094 0.065 0.000 1.055 246 V CA -0.540 61.780 62.300 0.032 0.000 1.060 246 V CB -1.011 30.802 31.823 -0.017 0.000 1.210 246 V HN 0.000 nan 8.190 nan 0.000 0.457 247 Q N 0.033 119.855 119.800 0.036 0.000 2.314 247 Q HA 0.701 5.042 4.340 0.001 0.000 0.259 247 Q C -1.206 174.798 176.000 0.007 0.000 0.951 247 Q CA -0.141 55.697 55.803 0.059 0.000 0.909 247 Q CB 1.077 29.842 28.738 0.044 0.000 1.236 247 Q HN 0.785 nan 8.270 nan 0.000 0.444 248 L N 5.156 126.404 121.223 0.043 0.000 2.333 248 L HA 0.725 5.066 4.340 0.001 0.000 0.263 248 L C -2.136 174.728 176.870 -0.011 0.000 1.014 248 L CA -2.312 52.456 54.840 -0.120 0.000 0.820 248 L CB 2.415 44.207 42.059 -0.444 0.000 1.352 248 L HN 0.697 nan 8.230 nan 0.000 0.421 249 P HA 0.247 nan 4.420 nan 0.000 0.278 249 P C 0.818 178.131 177.300 0.021 0.000 1.238 249 P CA -0.305 62.791 63.100 -0.007 0.000 0.794 249 P CB 1.302 32.971 31.700 -0.053 0.000 0.955 250 I N 0.966 121.588 120.570 0.087 0.000 2.315 250 I HA -0.295 3.876 4.170 0.001 0.000 0.251 250 I C 2.159 178.206 176.117 -0.117 0.000 1.125 250 I CA 1.581 62.934 61.300 0.089 0.000 1.392 250 I CB -0.367 37.744 38.000 0.185 0.000 1.065 250 I HN 0.355 nan 8.210 nan 0.000 0.424 251 S N -0.237 115.313 115.700 -0.249 0.000 2.400 251 S HA -0.250 4.221 4.470 0.001 0.000 0.232 251 S C 1.803 176.226 174.600 -0.295 0.000 1.025 251 S CA 1.419 59.334 58.200 -0.474 0.000 0.993 251 S CB -0.426 62.493 63.200 -0.467 0.000 0.808 251 S HN 0.541 nan 8.310 nan 0.000 0.478 252 Y N 1.223 121.311 120.300 -0.353 0.000 2.130 252 Y HA -0.151 4.399 4.550 0.001 0.000 0.287 252 Y C 1.980 177.593 175.900 -0.479 0.000 1.124 252 Y CA 1.201 59.058 58.100 -0.406 0.000 1.118 252 Y CB -0.790 37.371 38.460 -0.499 0.000 0.994 252 Y HN 0.154 nan 8.280 nan 0.000 0.497 253 Y N 0.499 120.356 120.300 -0.737 0.000 2.165 253 Y HA -0.232 4.319 4.550 0.001 0.000 0.286 253 Y C 2.784 177.992 175.900 -1.154 0.000 1.155 253 Y CA 1.474 58.766 58.100 -1.347 0.000 1.164 253 Y CB -1.316 36.170 38.460 -1.623 0.000 0.978 253 Y HN 0.294 nan 8.280 nan 0.000 0.513 254 A N -0.298 122.233 122.820 -0.481 0.000 1.940 254 A HA -0.324 3.996 4.320 0.001 0.000 0.219 254 A C 2.217 179.746 177.584 -0.092 0.000 1.176 254 A CA 2.090 54.022 52.037 -0.175 0.000 0.631 254 A CB -0.827 18.139 19.000 -0.056 0.000 0.814 254 A HN 0.560 nan 8.150 nan 0.000 0.446 255 Q N -1.113 118.556 119.800 -0.219 0.000 2.083 255 Q HA -0.087 4.253 4.340 0.001 0.000 0.198 255 Q C 1.961 177.898 176.000 -0.105 0.000 0.969 255 Q CA 1.403 57.125 55.803 -0.136 0.000 0.838 255 Q CB -0.248 28.389 28.738 -0.169 0.000 0.900 255 Q HN 0.534 nan 8.270 nan 0.000 0.436 256 L N -0.228 120.800 121.223 -0.326 0.000 1.976 256 L HA -0.162 4.179 4.340 0.001 0.000 0.209 256 L C 1.787 178.713 176.870 0.093 0.000 1.071 256 L CA 1.860 56.579 54.840 -0.203 0.000 0.746 256 L CB -0.895 40.874 42.059 -0.483 0.000 0.890 256 L HN 0.411 nan 8.230 nan 0.000 0.432 257 W N -0.917 120.352 121.300 -0.052 0.000 2.325 257 W HA -0.265 4.395 4.660 0.001 0.000 0.299 257 W C 2.729 179.240 176.519 -0.013 0.000 1.215 257 W CA 1.358 58.683 57.345 -0.033 0.000 1.244 257 W CB -1.617 27.813 29.460 -0.051 0.000 1.140 257 W HN 0.350 nan 8.180 nan 0.000 0.523 258 Y N 1.765 122.151 120.300 0.143 0.000 2.207 258 Y HA -0.275 4.276 4.550 0.001 0.000 0.287 258 Y C 2.298 178.225 175.900 0.045 0.000 1.156 258 Y CA 2.190 60.338 58.100 0.081 0.000 1.182 258 Y CB -0.622 37.869 38.460 0.052 0.000 0.979 258 Y HN -0.133 nan 8.280 nan 0.000 0.521 259 N N 0.182 118.971 118.700 0.149 0.000 2.080 259 N HA -0.164 4.577 4.740 0.001 0.000 0.189 259 N C 1.932 177.411 175.510 -0.052 0.000 1.036 259 N CA 1.742 54.825 53.050 0.055 0.000 0.846 259 N CB -0.498 38.035 38.487 0.077 0.000 1.015 259 N HN 0.381 nan 8.380 nan 0.000 0.423 260 L N 1.109 122.319 121.223 -0.022 0.000 2.046 260 L HA -0.127 4.214 4.340 0.001 0.000 0.208 260 L C 2.327 179.109 176.870 -0.147 0.000 1.077 260 L CA 0.918 55.707 54.840 -0.085 0.000 0.747 260 L CB -0.492 41.556 42.059 -0.018 0.000 0.896 260 L HN 0.113 nan 8.230 nan 0.000 0.432 261 L N -0.583 120.562 121.223 -0.129 0.000 2.201 261 L HA -0.197 4.143 4.340 0.001 0.000 0.212 261 L C 2.090 178.834 176.870 -0.211 0.000 1.105 261 L CA 1.011 55.752 54.840 -0.165 0.000 0.775 261 L CB -0.472 41.500 42.059 -0.145 0.000 0.913 261 L HN 0.258 nan 8.230 nan 0.000 0.440 262 D N 0.450 120.686 120.400 -0.273 0.000 2.144 262 D HA -0.164 4.477 4.640 0.001 0.000 0.200 262 D C 2.175 178.357 176.300 -0.198 0.000 0.978 262 D CA 1.081 54.932 54.000 -0.249 0.000 0.833 262 D CB 0.119 40.754 40.800 -0.275 0.000 0.961 262 D HN 0.225 nan 8.370 nan 0.000 0.470 263 I N -0.093 120.327 120.570 -0.250 0.000 2.142 263 I HA -0.195 3.975 4.170 0.001 0.000 0.240 263 I C 2.225 178.023 176.117 -0.530 0.000 1.078 263 I CA 0.375 61.442 61.300 -0.388 0.000 1.343 263 I CB -0.314 37.411 38.000 -0.458 0.000 1.046 263 I HN 0.153 nan 8.210 nan 0.000 0.405 264 L N 1.272 122.245 121.223 -0.418 0.000 2.013 264 L HA -0.265 4.076 4.340 0.001 0.000 0.212 264 L C 2.649 179.440 176.870 -0.132 0.000 1.073 264 L CA 1.930 56.599 54.840 -0.284 0.000 0.753 264 L CB -0.886 41.086 42.059 -0.145 0.000 0.890 264 L HN 0.158 nan 8.230 nan 0.000 0.432 265 R N -0.780 119.656 120.500 -0.106 0.000 2.083 265 R HA -0.187 4.154 4.340 0.001 0.000 0.237 265 R C 2.448 178.694 176.300 -0.091 0.000 1.137 265 R CA 1.829 57.923 56.100 -0.009 0.000 0.951 265 R CB -0.203 30.127 30.300 0.049 0.000 0.851 265 R HN 0.349 nan 8.270 nan 0.000 0.434 266 R N -0.688 119.666 120.500 -0.242 0.000 2.096 266 R HA -0.125 4.216 4.340 0.001 0.000 0.235 266 R C 2.130 178.136 176.300 -0.489 0.000 1.127 266 R CA 1.423 57.111 56.100 -0.686 0.000 0.968 266 R CB -0.312 29.782 30.300 -0.344 0.000 0.861 266 R HN 0.201 nan 8.270 nan 0.000 0.440 267 F N 0.660 120.389 119.950 -0.368 0.000 2.307 267 F HA -0.157 4.371 4.527 0.001 0.000 0.301 267 F C 2.455 178.100 175.800 -0.258 0.000 1.076 267 F CA 1.586 59.416 58.000 -0.284 0.000 1.383 267 F CB -0.796 38.085 39.000 -0.198 0.000 1.055 267 F HN 0.128 nan 8.300 nan 0.000 0.526 268 T N -3.501 111.020 114.554 -0.055 0.000 3.060 268 T HA -0.005 4.346 4.350 0.001 0.000 0.249 268 T C 1.146 175.869 174.700 0.039 0.000 1.079 268 T CA 0.435 62.520 62.100 -0.024 0.000 1.013 268 T CB -0.674 68.202 68.868 0.014 0.000 0.975 268 T HN 0.254 nan 8.240 nan 0.000 0.518 269 F N -0.941 119.016 119.950 0.012 0.000 2.831 269 F HA 0.595 5.123 4.527 0.001 0.000 0.334 269 F C -0.208 175.591 175.800 -0.002 0.000 1.071 269 F CA -1.323 56.677 58.000 -0.001 0.000 1.172 269 F CB -0.137 38.868 39.000 0.007 0.000 1.054 269 F HN -0.086 nan 8.300 nan 0.000 0.572 270 L N 4.539 125.603 121.223 -0.264 0.000 2.433 270 L HA 0.367 4.707 4.340 0.001 0.000 0.275 270 L C -1.436 175.403 176.870 -0.051 0.000 1.128 270 L CA -2.247 52.516 54.840 -0.129 0.000 0.875 270 L CB 0.502 42.420 42.059 -0.235 0.000 1.171 270 L HN -0.163 nan 8.230 nan 0.000 0.463 271 P HA -0.222 nan 4.420 nan 0.000 0.217 271 P C 1.772 179.044 177.300 -0.047 0.000 1.148 271 P CA 1.421 64.519 63.100 -0.003 0.000 0.834 271 P CB 0.228 31.941 31.700 0.022 0.000 0.783 272 I N -1.538 118.999 120.570 -0.055 0.000 2.546 272 I HA -0.130 4.041 4.170 0.001 0.000 0.255 272 I C 1.456 177.506 176.117 -0.111 0.000 1.163 272 I CA 0.978 62.239 61.300 -0.066 0.000 1.457 272 I CB 0.034 38.010 38.000 -0.041 0.000 1.092 272 I HN -0.175 nan 8.210 nan 0.000 0.434 273 I N 0.150 120.598 120.570 -0.203 0.000 3.030 273 I HA -0.092 4.079 4.170 0.001 0.000 0.270 273 I C 2.623 178.645 176.117 -0.159 0.000 1.211 273 I CA 0.943 62.090 61.300 -0.254 0.000 1.479 273 I CB -1.294 36.377 38.000 -0.548 0.000 1.105 273 I HN 0.275 nan 8.210 nan 0.000 0.447 274 S N 2.458 118.060 115.700 -0.164 0.000 2.389 274 S HA -0.151 4.319 4.470 0.001 0.000 0.231 274 S C -0.256 174.202 174.600 -0.236 0.000 1.052 274 S CA 1.210 59.314 58.200 -0.161 0.000 1.053 274 S CB -2.326 60.809 63.200 -0.108 0.000 0.886 274 S HN 0.274 nan 8.310 nan 0.000 0.456 275 P HA -0.064 nan 4.420 nan 0.000 0.221 275 P C 0.341 177.265 177.300 -0.626 0.000 1.145 275 P CA 1.063 63.797 63.100 -0.611 0.000 0.795 275 P CB -0.262 30.846 31.700 -0.987 0.000 0.775 276 Y N -2.942 117.259 120.300 -0.165 0.000 2.507 276 Y HA 0.259 4.810 4.550 0.001 0.000 0.254 276 Y C 1.772 177.431 175.900 -0.402 0.000 1.171 276 Y CA -0.660 57.260 58.100 -0.299 0.000 1.238 276 Y CB -0.781 37.452 38.460 -0.378 0.000 1.148 276 Y HN -0.166 nan 8.280 nan 0.000 0.525 277 I N 1.087 121.563 120.570 -0.158 0.000 2.530 277 I HA -0.309 3.862 4.170 0.001 0.000 0.257 277 I C 2.483 178.529 176.117 -0.118 0.000 1.179 277 I CA 1.687 62.902 61.300 -0.143 0.000 1.440 277 I CB -0.226 37.709 38.000 -0.108 0.000 1.087 277 I HN 0.462 nan 8.210 nan 0.000 0.440 278 H N -1.208 117.830 119.070 -0.054 0.000 2.457 278 H HA -0.082 4.474 4.556 0.001 0.000 0.294 278 H C 1.941 177.264 175.328 -0.009 0.000 1.064 278 H CA 1.305 57.341 56.048 -0.019 0.000 1.330 278 H CB -0.686 29.068 29.762 -0.014 0.000 1.395 278 H HN 0.459 nan 8.280 nan 0.000 0.541 279 Q N 0.725 120.172 119.800 -0.590 0.000 2.079 279 Q HA -0.064 4.277 4.340 0.001 0.000 0.200 279 Q C 2.535 178.408 176.000 -0.211 0.000 0.974 279 Q CA 1.446 57.035 55.803 -0.357 0.000 0.840 279 Q CB 0.065 28.570 28.738 -0.388 0.000 0.898 279 Q HN 0.411 nan 8.270 nan 0.000 0.430 280 V N 0.525 120.332 119.914 -0.179 0.000 2.255 280 V HA -0.264 3.857 4.120 0.001 0.000 0.247 280 V C 2.276 178.378 176.094 0.013 0.000 1.051 280 V CA 1.688 63.930 62.300 -0.097 0.000 1.018 280 V CB -0.629 31.165 31.823 -0.048 0.000 0.641 280 V HN 0.190 nan 8.190 nan 0.000 0.445 281 V N -0.768 119.172 119.914 0.043 0.000 2.343 281 V HA -0.328 3.793 4.120 0.001 0.000 0.247 281 V C 2.433 178.666 176.094 0.232 0.000 1.051 281 V CA 2.065 64.484 62.300 0.198 0.000 1.036 281 V CB -0.788 31.109 31.823 0.125 0.000 0.654 281 V HN 0.528 nan 8.190 nan 0.000 0.451 282 Q N -1.038 118.807 119.800 0.074 0.000 2.234 282 Q HA -0.204 4.136 4.340 0.001 0.000 0.206 282 Q C 2.270 178.163 176.000 -0.178 0.000 0.980 282 Q CA 1.483 57.276 55.803 -0.015 0.000 0.869 282 Q CB -0.195 28.541 28.738 -0.002 0.000 0.912 282 Q HN 0.453 nan 8.270 nan 0.000 0.436 283 M N -1.122 118.296 119.600 -0.304 0.000 2.149 283 M HA -0.144 4.336 4.480 0.001 0.000 0.261 283 M C 1.541 177.480 176.300 -0.601 0.000 1.064 283 M CA 1.492 56.359 55.300 -0.720 0.000 1.102 283 M CB -0.740 31.033 32.600 -1.378 0.000 1.369 283 M HN 0.224 nan 8.290 nan 0.000 0.408 284 F N -0.124 119.712 119.950 -0.190 0.000 2.325 284 F HA -0.064 4.463 4.527 0.001 0.000 0.299 284 F C 1.770 177.393 175.800 -0.294 0.000 1.090 284 F CA 0.130 58.139 58.000 0.015 0.000 1.392 284 F CB -0.642 38.500 39.000 0.236 0.000 1.053 284 F HN 0.090 nan 8.300 nan 0.000 0.521 285 C N 4.513 123.506 119.300 -0.512 0.000 2.334 285 C HA 0.013 4.473 4.460 0.001 0.000 0.395 285 C C -1.277 173.608 174.990 -0.174 0.000 1.507 285 C CA -1.835 56.873 59.018 -0.517 0.000 1.494 285 C CB -0.682 26.855 27.740 -0.337 0.000 2.509 285 C HN 0.117 nan 8.230 nan 0.000 0.599 286 P HA 0.369 nan 4.420 nan 0.000 0.272 286 P C 0.123 177.403 177.300 -0.033 0.000 1.230 286 P CA 0.460 63.516 63.100 -0.073 0.000 0.788 286 P CB 0.745 32.407 31.700 -0.063 0.000 0.949 287 R N 0.307 120.794 120.500 -0.022 0.000 3.350 287 R HA 0.282 4.623 4.340 0.001 0.000 0.148 287 R C 2.116 178.422 176.300 0.010 0.000 0.732 287 R CA 1.075 57.178 56.100 0.005 0.000 1.152 287 R CB -1.509 28.803 30.300 0.021 0.000 1.613 287 R HN 0.489 nan 8.270 nan 0.000 0.529 288 E N 1.022 121.230 120.200 0.013 0.000 2.318 288 E HA 0.090 4.441 4.350 0.001 0.000 0.193 288 E C 0.650 177.253 176.600 0.006 0.000 0.998 288 E CA 0.560 56.970 56.400 0.017 0.000 0.859 288 E CB -0.546 29.173 29.700 0.032 0.000 0.812 288 E HN 0.743 nan 8.360 nan 0.000 0.492 289 N N -1.082 117.610 118.700 -0.015 0.000 2.758 289 N HA -0.100 4.641 4.740 0.001 0.000 0.248 289 N C 0.203 175.710 175.510 -0.006 0.000 1.076 289 N CA 0.183 53.221 53.050 -0.021 0.000 0.696 289 N CB -1.159 37.326 38.487 -0.002 0.000 0.979 289 N HN 0.746 nan 8.380 nan 0.000 0.550 290 G N -0.600 108.195 108.800 -0.009 0.000 2.782 290 G HA2 0.578 4.538 3.960 0.001 0.000 0.304 290 G HA3 0.578 4.538 3.960 0.001 0.000 0.304 290 G C -2.782 172.126 174.900 0.013 0.000 1.315 290 G CA -0.738 44.371 45.100 0.015 0.000 0.791 290 G HN -0.076 nan 8.290 nan 0.000 0.519 291 P HA 0.253 nan 4.420 nan 0.000 0.253 291 P C 0.552 177.881 177.300 0.047 0.000 1.508 291 P CA 0.789 63.913 63.100 0.041 0.000 0.883 291 P CB 0.574 32.306 31.700 0.053 0.000 1.519 292 Q N -1.028 118.807 119.800 0.057 0.000 2.316 292 Q HA 0.109 4.450 4.340 0.001 0.000 0.235 292 Q C 0.701 176.810 176.000 0.182 0.000 0.863 292 Q CA 0.100 55.965 55.803 0.102 0.000 0.939 292 Q CB -0.399 28.390 28.738 0.084 0.000 1.108 292 Q HN 0.263 nan 8.270 nan 0.000 0.522 293 D N -0.305 120.150 120.400 0.091 0.000 2.443 293 D HA 0.093 4.734 4.640 0.001 0.000 0.239 293 D C 0.657 176.932 176.300 -0.041 0.000 1.136 293 D CA -0.334 53.692 54.000 0.044 0.000 0.879 293 D CB 0.735 41.490 40.800 -0.076 0.000 1.195 293 D HN 0.291 nan 8.370 nan 0.000 0.443 294 F N 3.653 123.329 119.950 -0.456 0.000 2.063 294 F HA -0.319 4.209 4.527 0.001 0.000 0.298 294 F C 2.497 178.054 175.800 -0.405 0.000 1.105 294 F CA 2.039 59.613 58.000 -0.711 0.000 1.215 294 F CB 0.031 38.355 39.000 -1.128 0.000 0.972 294 F HN 0.405 nan 8.300 nan 0.000 0.483 295 R N 0.288 120.637 120.500 -0.253 0.000 2.127 295 R HA -0.175 4.166 4.340 0.001 0.000 0.238 295 R C 1.819 178.086 176.300 -0.056 0.000 1.134 295 R CA 2.011 58.052 56.100 -0.099 0.000 0.975 295 R CB -1.159 29.170 30.300 0.049 0.000 0.865 295 R HN 0.422 nan 8.270 nan 0.000 0.447 296 E N 0.821 120.948 120.200 -0.122 0.000 2.285 296 E HA -0.018 4.332 4.350 0.001 0.000 0.194 296 E C 2.011 178.584 176.600 -0.044 0.000 0.997 296 E CA 0.628 57.037 56.400 0.015 0.000 0.845 296 E CB 0.072 29.776 29.700 0.006 0.000 0.782 296 E HN 0.432 nan 8.360 nan 0.000 0.491 297 L N 0.537 121.646 121.223 -0.190 0.000 2.131 297 L HA -0.097 4.243 4.340 0.001 0.000 0.206 297 L C 2.304 178.960 176.870 -0.357 0.000 1.087 297 L CA 0.304 54.982 54.840 -0.270 0.000 0.767 297 L CB -0.163 41.708 42.059 -0.314 0.000 0.917 297 L HN 0.150 nan 8.230 nan 0.000 0.441 298 I N -0.094 120.209 120.570 -0.445 0.000 2.202 298 I HA -0.339 3.832 4.170 0.001 0.000 0.242 298 I C 2.828 178.908 176.117 -0.062 0.000 1.091 298 I CA 1.363 62.463 61.300 -0.334 0.000 1.368 298 I CB -1.039 36.729 38.000 -0.387 0.000 1.058 298 I HN 0.457 nan 8.210 nan 0.000 0.410 299 C N 1.361 120.702 119.300 0.068 0.000 2.422 299 C HA -0.164 4.296 4.460 0.001 0.000 0.279 299 C C 2.683 177.721 174.990 0.080 0.000 1.305 299 C CA 1.185 60.277 59.018 0.125 0.000 1.757 299 C CB -1.416 26.465 27.740 0.235 0.000 1.962 299 C HN 0.522 nan 8.230 nan 0.000 0.499 300 N N 0.274 119.018 118.700 0.073 0.000 2.244 300 N HA -0.066 4.675 4.740 0.001 0.000 0.183 300 N C 1.673 177.350 175.510 0.278 0.000 1.016 300 N CA 1.290 54.433 53.050 0.155 0.000 0.866 300 N CB -0.195 38.377 38.487 0.142 0.000 0.980 300 N HN 0.615 nan 8.380 nan 0.000 0.430 301 L N 1.083 122.351 121.223 0.075 0.000 2.291 301 L HA -0.054 4.287 4.340 0.001 0.000 0.214 301 L C 1.944 178.884 176.870 0.116 0.000 1.120 301 L CA 0.569 55.403 54.840 -0.010 0.000 0.799 301 L CB -0.270 41.667 42.059 -0.203 0.000 0.925 301 L HN 0.233 nan 8.230 nan 0.000 0.446 302 I N -4.646 115.966 120.570 0.069 0.000 3.875 302 I HA 0.167 4.337 4.170 0.001 0.000 0.329 302 I C 1.201 177.488 176.117 0.283 0.000 1.295 302 I CA -0.360 60.958 61.300 0.031 0.000 1.129 302 I CB 0.064 37.783 38.000 -0.469 0.000 1.008 302 I HN -0.037 nan 8.210 nan 0.000 0.413 303 S N 1.335 117.206 115.700 0.286 0.000 2.561 303 S HA -0.039 4.432 4.470 0.001 0.000 0.294 303 S C 1.069 175.737 174.600 0.113 0.000 1.294 303 S CA -0.271 58.028 58.200 0.164 0.000 1.055 303 S CB 0.672 63.905 63.200 0.055 0.000 0.819 303 S HN 0.507 nan 8.310 nan 0.000 0.503 304 L N 5.023 126.157 121.223 -0.148 0.000 2.042 304 L HA -0.141 4.200 4.340 0.001 0.000 0.210 304 L C 2.068 178.854 176.870 -0.141 0.000 1.076 304 L CA 2.677 57.311 54.840 -0.343 0.000 0.749 304 L CB -1.221 40.508 42.059 -0.549 0.000 0.893 304 L HN 0.975 nan 8.230 nan 0.000 0.432 305 N N -1.784 116.809 118.700 -0.178 0.000 2.223 305 N HA -0.281 4.460 4.740 0.001 0.000 0.185 305 N C 1.650 177.099 175.510 -0.102 0.000 1.016 305 N CA 1.818 54.750 53.050 -0.197 0.000 0.863 305 N CB -1.258 37.041 38.487 -0.313 0.000 0.983 305 N HN 0.537 nan 8.380 nan 0.000 0.429 306 W N 0.801 122.121 121.300 0.034 0.000 2.421 306 W HA -0.008 4.653 4.660 0.001 0.000 0.270 306 W C 1.908 178.464 176.519 0.061 0.000 1.233 306 W CA 0.054 57.440 57.345 0.069 0.000 1.226 306 W CB 0.000 29.520 29.460 0.100 0.000 1.121 306 W HN 0.139 nan 8.180 nan 0.000 0.579 307 Q N 0.116 120.072 119.800 0.260 0.000 2.369 307 Q HA -0.080 4.261 4.340 0.001 0.000 0.206 307 Q C 2.166 178.220 176.000 0.091 0.000 0.963 307 Q CA 1.548 57.450 55.803 0.165 0.000 0.894 307 Q CB -0.485 28.341 28.738 0.148 0.000 0.965 307 Q HN 0.484 nan 8.270 nan 0.000 0.475 308 K N 1.175 121.624 120.400 0.082 0.000 2.404 308 K HA 0.009 4.330 4.320 0.001 0.000 0.194 308 K C 0.229 176.876 176.600 0.079 0.000 1.023 308 K CA 0.334 56.649 56.287 0.046 0.000 1.094 308 K CB 0.147 32.651 32.500 0.007 0.000 0.841 308 K HN 0.092 nan 8.250 nan 0.000 0.523 309 D N 0.448 120.943 120.400 0.159 0.000 2.193 309 D HA 0.174 4.814 4.640 0.001 0.000 0.244 309 D C -2.030 174.338 176.300 0.114 0.000 1.064 309 D CA -1.980 52.140 54.000 0.201 0.000 0.845 309 D CB 2.303 43.354 40.800 0.418 0.000 1.148 309 D HN -0.023 nan 8.370 nan 0.000 0.464 310 P HA -0.023 nan 4.420 nan 0.000 0.233 310 P C 0.411 177.615 177.300 -0.160 0.000 1.167 310 P CA 0.890 63.925 63.100 -0.107 0.000 0.770 310 P CB 0.503 32.086 31.700 -0.195 0.000 0.837 311 H N -1.737 117.407 119.070 0.125 0.000 2.422 311 H HA 0.262 4.819 4.556 0.001 0.000 0.303 311 H C 2.001 177.412 175.328 0.137 0.000 1.033 311 H CA 0.596 56.722 56.048 0.131 0.000 1.335 311 H CB -0.178 29.626 29.762 0.069 0.000 1.458 311 H HN -0.151 nan 8.280 nan 0.000 0.556 312 M N 1.594 121.325 119.600 0.219 0.000 2.558 312 M HA -0.025 4.456 4.480 0.001 0.000 0.255 312 M C 1.672 178.031 176.300 0.100 0.000 1.113 312 M CA 0.861 56.209 55.300 0.080 0.000 1.097 312 M CB -0.301 32.214 32.600 -0.142 0.000 1.426 312 M HN 0.374 nan 8.290 nan 0.000 0.488 313 K N -0.865 119.581 120.400 0.077 0.000 2.211 313 K HA -0.145 4.175 4.320 0.001 0.000 0.203 313 K C 1.391 177.965 176.600 -0.042 0.000 1.050 313 K CA 1.189 57.479 56.287 0.005 0.000 0.945 313 K CB -0.452 31.986 32.500 -0.104 0.000 0.732 313 K HN 0.358 nan 8.250 nan 0.000 0.451 314 H N 0.381 119.553 119.070 0.170 0.000 2.495 314 H HA 0.021 4.578 4.556 0.001 0.000 0.287 314 H C 2.100 177.597 175.328 0.281 0.000 1.033 314 H CA 1.115 57.298 56.048 0.225 0.000 1.307 314 H CB -0.118 29.756 29.762 0.187 0.000 1.401 314 H HN 0.332 nan 8.280 nan 0.000 0.555 315 C N 0.782 120.263 119.300 0.302 0.000 2.466 315 C HA 0.047 4.508 4.460 0.001 0.000 0.278 315 C C 3.140 178.191 174.990 0.101 0.000 1.288 315 C CA 0.647 59.779 59.018 0.191 0.000 1.722 315 C CB -0.889 26.933 27.740 0.137 0.000 2.017 315 C HN 0.621 nan 8.230 nan 0.000 0.488 316 A N 1.335 124.218 122.820 0.106 0.000 1.884 316 A HA -0.313 4.008 4.320 0.001 0.000 0.219 316 A C 2.080 179.793 177.584 0.214 0.000 1.197 316 A CA 2.330 54.435 52.037 0.114 0.000 0.637 316 A CB -1.136 18.020 19.000 0.260 0.000 0.827 316 A HN 0.760 nan 8.150 nan 0.000 0.450 317 N N -1.074 117.806 118.700 0.299 0.000 2.289 317 N HA -0.216 4.525 4.740 0.001 0.000 0.184 317 N C 1.942 177.620 175.510 0.280 0.000 1.016 317 N CA 1.546 54.807 53.050 0.351 0.000 0.872 317 N CB -0.094 38.554 38.487 0.269 0.000 0.973 317 N HN 0.720 nan 8.380 nan 0.000 0.433 318 Q N -0.023 119.890 119.800 0.187 0.000 2.096 318 Q HA 0.003 4.344 4.340 0.001 0.000 0.197 318 Q C 2.125 178.170 176.000 0.076 0.000 0.964 318 Q CA 0.724 56.586 55.803 0.098 0.000 0.838 318 Q CB 0.308 29.038 28.738 -0.014 0.000 0.906 318 Q HN 0.151 nan 8.270 nan 0.000 0.444 319 V N 0.394 120.325 119.914 0.028 0.000 2.343 319 V HA -0.252 3.868 4.120 0.001 0.000 0.247 319 V C 1.770 177.948 176.094 0.139 0.000 1.051 319 V CA 1.635 63.934 62.300 -0.001 0.000 1.036 319 V CB -0.589 31.175 31.823 -0.098 0.000 0.654 319 V HN 0.340 nan 8.190 nan 0.000 0.451 320 F N 0.382 120.457 119.950 0.208 0.000 2.134 320 F HA -0.199 4.329 4.527 0.001 0.000 0.299 320 F C 2.596 178.503 175.800 0.178 0.000 1.097 320 F CA 1.665 59.779 58.000 0.189 0.000 1.264 320 F CB -0.730 38.315 39.000 0.075 0.000 1.001 320 F HN 0.158 nan 8.300 nan 0.000 0.479 321 Q N -0.169 119.816 119.800 0.308 0.000 2.170 321 Q HA -0.159 4.182 4.340 0.001 0.000 0.203 321 Q C 2.290 178.394 176.000 0.173 0.000 0.976 321 Q CA 1.410 57.337 55.803 0.207 0.000 0.858 321 Q CB -0.241 28.593 28.738 0.160 0.000 0.907 321 Q HN 0.444 nan 8.270 nan 0.000 0.433 322 I N -0.487 120.167 120.570 0.141 0.000 2.163 322 I HA -0.253 3.918 4.170 0.001 0.000 0.240 322 I C 1.658 177.786 176.117 0.018 0.000 1.081 322 I CA 1.097 62.427 61.300 0.051 0.000 1.353 322 I CB -0.204 37.782 38.000 -0.023 0.000 1.054 322 I HN 0.120 nan 8.210 nan 0.000 0.407 323 F N 1.043 121.044 119.950 0.086 0.000 2.120 323 F HA -0.284 4.243 4.527 0.001 0.000 0.300 323 F C 2.372 178.188 175.800 0.026 0.000 1.095 323 F CA 2.142 60.183 58.000 0.069 0.000 1.249 323 F CB -0.897 38.146 39.000 0.073 0.000 0.995 323 F HN 0.133 nan 8.300 nan 0.000 0.480 324 N N -0.566 118.290 118.700 0.260 0.000 2.069 324 N HA -0.190 4.551 4.740 0.001 0.000 0.191 324 N C 1.836 177.395 175.510 0.082 0.000 1.031 324 N CA 1.879 55.021 53.050 0.155 0.000 0.852 324 N CB -0.410 38.168 38.487 0.152 0.000 1.018 324 N HN 0.212 nan 8.380 nan 0.000 0.423 325 C N -0.245 119.102 119.300 0.079 0.000 2.446 325 C HA 0.048 4.508 4.460 0.001 0.000 0.277 325 C C 2.533 177.512 174.990 -0.019 0.000 1.275 325 C CA 0.173 59.227 59.018 0.059 0.000 1.727 325 C CB -1.132 26.687 27.740 0.131 0.000 2.010 325 C HN 0.500 nan 8.230 nan 0.000 0.486 326 I N 0.751 121.259 120.570 -0.103 0.000 2.142 326 I HA -0.200 3.971 4.170 0.001 0.000 0.240 326 I C 2.281 178.247 176.117 -0.253 0.000 1.078 326 I CA 1.786 62.921 61.300 -0.274 0.000 1.343 326 I CB -0.414 37.217 38.000 -0.615 0.000 1.046 326 I HN 0.271 nan 8.210 nan 0.000 0.405 327 I N 0.062 120.507 120.570 -0.209 0.000 2.226 327 I HA -0.281 3.890 4.170 0.001 0.000 0.245 327 I C 2.314 178.380 176.117 -0.084 0.000 1.100 327 I CA 1.260 62.397 61.300 -0.271 0.000 1.374 327 I CB -0.202 37.623 38.000 -0.292 0.000 1.057 327 I HN 0.252 nan 8.210 nan 0.000 0.413 328 M N -0.174 119.411 119.600 -0.026 0.000 2.541 328 M HA 0.096 4.576 4.480 0.001 0.000 0.252 328 M C 1.971 178.278 176.300 0.011 0.000 1.125 328 M CA 0.807 56.117 55.300 0.016 0.000 1.091 328 M CB -0.670 31.949 32.600 0.032 0.000 1.420 328 M HN 0.290 nan 8.290 nan 0.000 0.486 329 G N 0.325 109.117 108.800 -0.014 0.000 2.645 329 G HA2 0.172 4.132 3.960 0.001 0.000 0.207 329 G HA3 0.172 4.132 3.960 0.001 0.000 0.207 329 G C 0.432 175.322 174.900 -0.016 0.000 1.145 329 G CA 0.079 45.175 45.100 -0.007 0.000 0.831 329 G HN 0.329 nan 8.290 nan 0.000 0.563 330 V N 0.033 119.922 119.914 -0.043 0.000 2.521 330 V HA 0.423 4.543 4.120 0.001 0.000 0.286 330 V C 0.679 176.780 176.094 0.012 0.000 1.034 330 V CA -0.340 61.942 62.300 -0.031 0.000 1.045 330 V CB 1.281 33.065 31.823 -0.065 0.000 0.974 330 V HN 0.307 nan 8.190 nan 0.000 0.480 331 K N 2.890 123.297 120.400 0.012 0.000 2.354 331 K HA 0.125 4.446 4.320 0.001 0.000 0.194 331 K C 0.825 177.442 176.600 0.029 0.000 1.045 331 K CA -0.092 56.210 56.287 0.025 0.000 1.026 331 K CB 0.113 32.621 32.500 0.013 0.000 0.866 331 K HN 0.755 nan 8.250 nan 0.000 0.530 332 N N 3.148 121.861 118.700 0.021 0.000 2.406 332 N HA -0.072 4.669 4.740 0.001 0.000 0.274 332 N C 0.507 176.043 175.510 0.044 0.000 1.249 332 N CA 0.373 53.435 53.050 0.021 0.000 0.951 332 N CB 0.703 39.196 38.487 0.009 0.000 1.241 332 N HN 0.110 nan 8.380 nan 0.000 0.485 333 E N 3.505 123.729 120.200 0.040 0.000 2.160 333 E HA -0.221 4.130 4.350 0.001 0.000 0.195 333 E C 1.793 178.422 176.600 0.049 0.000 0.991 333 E CA 1.438 57.868 56.400 0.051 0.000 0.810 333 E CB -0.053 29.668 29.700 0.034 0.000 0.742 333 E HN 0.781 nan 8.360 nan 0.000 0.466 334 K N 0.812 121.233 120.400 0.035 0.000 2.097 334 K HA -0.076 4.245 4.320 0.001 0.000 0.205 334 K C 2.088 178.720 176.600 0.052 0.000 1.050 334 K CA 1.053 57.358 56.287 0.031 0.000 0.938 334 K CB -0.742 31.767 32.500 0.015 0.000 0.718 334 K HN -0.005 nan 8.250 nan 0.000 0.442 335 L N 0.751 122.015 121.223 0.068 0.000 2.072 335 L HA 0.070 4.411 4.340 0.001 0.000 0.205 335 L C 2.580 179.548 176.870 0.164 0.000 1.079 335 L CA 1.354 56.254 54.840 0.101 0.000 0.752 335 L CB -0.234 41.872 42.059 0.079 0.000 0.906 335 L HN 0.327 nan 8.230 nan 0.000 0.436 336 R N -1.317 119.293 120.500 0.183 0.000 2.103 336 R HA -0.178 4.163 4.340 0.001 0.000 0.242 336 R C 2.004 178.480 176.300 0.293 0.000 1.142 336 R CA 2.005 58.306 56.100 0.334 0.000 0.960 336 R CB -0.873 29.611 30.300 0.306 0.000 0.858 336 R HN 0.390 nan 8.270 nan 0.000 0.439 337 T N 0.683 115.310 114.554 0.121 0.000 2.746 337 T HA -0.141 4.209 4.350 0.001 0.000 0.267 337 T C 1.557 176.252 174.700 -0.008 0.000 1.039 337 T CA 1.336 63.449 62.100 0.022 0.000 1.142 337 T CB -0.111 68.756 68.868 -0.002 0.000 0.866 337 T HN 0.396 nan 8.240 nan 0.000 0.444 338 E N 0.140 120.343 120.200 0.006 0.000 2.047 338 E HA -0.075 4.276 4.350 0.001 0.000 0.191 338 E C 1.894 178.312 176.600 -0.303 0.000 0.987 338 E CA 0.824 57.124 56.400 -0.167 0.000 0.799 338 E CB -0.251 29.437 29.700 -0.020 0.000 0.752 338 E HN 0.373 nan 8.360 nan 0.000 0.449 339 F N 1.729 121.659 119.950 -0.033 0.000 2.069 339 F HA -0.227 4.301 4.527 0.001 0.000 0.298 339 F C 2.253 178.175 175.800 0.202 0.000 1.113 339 F CA 1.463 59.553 58.000 0.151 0.000 1.214 339 F CB -0.730 38.375 39.000 0.174 0.000 0.978 339 F HN -0.048 nan 8.300 nan 0.000 0.474 340 A N -0.256 122.691 122.820 0.211 0.000 1.917 340 A HA -0.328 3.992 4.320 0.001 0.000 0.219 340 A C 2.285 179.820 177.584 -0.082 0.000 1.182 340 A CA 2.103 54.130 52.037 -0.016 0.000 0.633 340 A CB -1.156 17.654 19.000 -0.316 0.000 0.819 340 A HN 0.626 nan 8.150 nan 0.000 0.448 341 Q N -1.226 118.505 119.800 -0.116 0.000 2.079 341 Q HA -0.227 4.113 4.340 0.001 0.000 0.200 341 Q C 1.855 177.854 176.000 -0.002 0.000 0.974 341 Q CA 1.778 57.523 55.803 -0.096 0.000 0.840 341 Q CB -0.211 28.440 28.738 -0.145 0.000 0.898 341 Q HN 0.909 nan 8.270 nan 0.000 0.430 342 H N -0.283 118.831 119.070 0.074 0.000 2.421 342 H HA -0.099 4.458 4.556 0.001 0.000 0.298 342 H C 1.879 177.309 175.328 0.170 0.000 1.087 342 H CA 1.141 57.254 56.048 0.107 0.000 1.330 342 H CB 0.121 29.985 29.762 0.170 0.000 1.388 342 H HN 0.239 nan 8.280 nan 0.000 0.526 343 L N 0.374 121.687 121.223 0.150 0.000 2.395 343 L HA -0.028 4.313 4.340 0.001 0.000 0.218 343 L C 0.452 177.427 176.870 0.176 0.000 1.130 343 L CA 0.596 55.532 54.840 0.159 0.000 0.826 343 L CB -0.015 41.979 42.059 -0.108 0.000 0.941 343 L HN 0.079 nan 8.230 nan 0.000 0.451 344 K N 1.699 122.200 120.400 0.169 0.000 2.142 344 K HA 0.236 4.557 4.320 0.001 0.000 0.250 344 K C -0.845 175.884 176.600 0.215 0.000 1.148 344 K CA -0.096 56.247 56.287 0.093 0.000 1.040 344 K CB -0.142 32.370 32.500 0.020 0.000 1.569 344 K HN 0.033 nan 8.250 nan 0.000 0.361 345 F N -2.565 117.384 119.950 -0.003 0.000 2.613 345 F HA 0.413 4.941 4.527 0.001 0.000 0.310 345 F C 1.066 176.873 175.800 0.012 0.000 1.085 345 F CA -1.092 56.909 58.000 0.002 0.000 0.945 345 F CB 1.007 40.023 39.000 0.026 0.000 1.298 345 F HN 0.178 nan 8.300 nan 0.000 0.455 346 E N 1.474 121.713 120.200 0.066 0.000 2.130 346 E HA -0.235 4.116 4.350 0.001 0.000 0.196 346 E C 1.721 178.284 176.600 -0.062 0.000 0.998 346 E CA 2.235 58.638 56.400 0.004 0.000 0.806 346 E CB -0.539 29.200 29.700 0.064 0.000 0.738 346 E HN 0.742 nan 8.360 nan 0.000 0.459 347 K N -0.897 119.465 120.400 -0.064 0.000 2.103 347 K HA -0.006 4.314 4.320 0.001 0.000 0.204 347 K C 2.251 178.683 176.600 -0.279 0.000 1.052 347 K CA 1.125 57.377 56.287 -0.060 0.000 0.945 347 K CB -0.166 32.452 32.500 0.197 0.000 0.722 347 K HN 0.335 nan 8.250 nan 0.000 0.443 348 L N 1.027 121.765 121.223 -0.810 0.000 2.056 348 L HA -0.121 4.220 4.340 0.001 0.000 0.207 348 L C 2.071 178.725 176.870 -0.361 0.000 1.078 348 L CA 1.453 55.910 54.840 -0.639 0.000 0.749 348 L CB -0.380 41.126 42.059 -0.922 0.000 0.901 348 L HN 0.111 nan 8.230 nan 0.000 0.433 349 V N -2.692 117.062 119.914 -0.268 0.000 2.515 349 V HA 0.034 4.155 4.120 0.001 0.000 0.250 349 V C 2.360 178.511 176.094 0.096 0.000 1.058 349 V CA 1.402 63.700 62.300 -0.003 0.000 1.064 349 V CB -2.044 29.911 31.823 0.219 0.000 0.675 349 V HN 0.399 nan 8.190 nan 0.000 0.461 350 G N 0.524 109.350 108.800 0.042 0.000 2.433 350 G HA2 -0.219 3.742 3.960 0.001 0.000 0.216 350 G HA3 -0.219 3.742 3.960 0.001 0.000 0.216 350 G C 1.577 176.498 174.900 0.035 0.000 1.186 350 G CA 1.614 46.752 45.100 0.064 0.000 0.779 350 G HN 0.474 nan 8.290 nan 0.000 0.543 351 T N 1.473 116.019 114.554 -0.013 0.000 2.684 351 T HA -0.074 4.277 4.350 0.001 0.000 0.267 351 T C 2.438 177.183 174.700 0.076 0.000 1.036 351 T CA 1.103 63.213 62.100 0.017 0.000 1.148 351 T CB -0.244 68.622 68.868 -0.002 0.000 0.863 351 T HN 0.143 nan 8.240 nan 0.000 0.436 352 L N 0.749 121.950 121.223 -0.036 0.000 1.994 352 L HA -0.120 4.220 4.340 0.001 0.000 0.208 352 L C 2.904 179.799 176.870 0.042 0.000 1.071 352 L CA 1.204 55.988 54.840 -0.092 0.000 0.745 352 L CB -0.748 41.015 42.059 -0.493 0.000 0.892 352 L HN 0.235 nan 8.230 nan 0.000 0.431 353 S N -0.576 115.221 115.700 0.162 0.000 2.383 353 S HA -0.246 4.224 4.470 0.001 0.000 0.229 353 S C 1.836 176.483 174.600 0.078 0.000 1.030 353 S CA 1.288 59.602 58.200 0.191 0.000 1.002 353 S CB -0.315 63.020 63.200 0.225 0.000 0.829 353 S HN 0.390 nan 8.310 nan 0.000 0.467 354 E N -0.212 120.016 120.200 0.047 0.000 2.219 354 E HA -0.183 4.168 4.350 0.001 0.000 0.198 354 E C 1.301 177.841 176.600 -0.100 0.000 0.998 354 E CA 0.969 57.353 56.400 -0.027 0.000 0.818 354 E CB -0.132 29.524 29.700 -0.073 0.000 0.741 354 E HN 0.673 nan 8.360 nan 0.000 0.477 355 Y N -1.511 118.669 120.300 -0.200 0.000 2.509 355 Y HA -0.133 4.417 4.550 0.001 0.000 0.293 355 Y C 1.296 177.076 175.900 -0.201 0.000 1.133 355 Y CA 0.491 58.432 58.100 -0.265 0.000 1.283 355 Y CB 0.217 38.403 38.460 -0.457 0.000 1.001 355 Y HN 0.062 nan 8.280 nan 0.000 0.555 356 F N -0.688 119.315 119.950 0.089 0.000 2.693 356 F HA 0.126 4.654 4.527 0.001 0.000 0.303 356 F C 0.484 176.278 175.800 -0.010 0.000 1.097 356 F CA -0.962 57.040 58.000 0.003 0.000 1.330 356 F CB -0.863 38.095 39.000 -0.071 0.000 1.067 356 F HN -0.150 nan 8.300 nan 0.000 0.565 357 N N 2.979 121.761 118.700 0.137 0.000 2.441 357 N HA 0.004 4.745 4.740 0.001 0.000 0.251 357 N C -1.204 174.341 175.510 0.058 0.000 1.242 357 N CA -1.013 52.080 53.050 0.071 0.000 0.898 357 N CB 0.381 38.883 38.487 0.024 0.000 1.100 357 N HN -0.018 nan 8.380 nan 0.000 0.443 358 P HA -0.161 nan 4.420 nan 0.000 0.219 358 P C 0.784 178.094 177.300 0.017 0.000 1.146 358 P CA 1.628 64.741 63.100 0.021 0.000 0.808 358 P CB 0.192 31.897 31.700 0.009 0.000 0.779 359 Q N -0.027 119.782 119.800 0.015 0.000 2.451 359 Q HA 0.173 4.514 4.340 0.001 0.000 0.206 359 Q C 1.170 177.184 176.000 0.024 0.000 0.947 359 Q CA 0.489 56.300 55.803 0.013 0.000 0.937 359 Q CB -0.868 27.872 28.738 0.004 0.000 1.025 359 Q HN 0.175 nan 8.270 nan 0.000 0.511 360 V N 2.120 122.052 119.914 0.031 0.000 2.461 360 V HA 0.156 4.277 4.120 0.001 0.000 0.275 360 V C 0.286 176.437 176.094 0.094 0.000 1.047 360 V CA -0.991 61.341 62.300 0.053 0.000 0.955 360 V CB 0.923 32.765 31.823 0.031 0.000 0.988 360 V HN 0.694 nan 8.190 nan 0.000 0.471 361 H N 8.922 128.008 119.070 0.027 0.000 2.964 361 H HA 0.071 4.628 4.556 0.001 0.000 0.328 361 H C -1.595 173.778 175.328 0.075 0.000 1.030 361 H CA -1.284 54.788 56.048 0.039 0.000 1.445 361 H CB 1.815 31.593 29.762 0.026 0.000 1.449 361 H HN 0.404 nan 8.280 nan 0.000 0.581 362 P HA -0.034 nan 4.420 nan 0.000 0.233 362 P C 1.359 178.866 177.300 0.346 0.000 1.167 362 P CA 0.971 64.152 63.100 0.135 0.000 0.770 362 P CB -0.073 31.630 31.700 0.006 0.000 0.837 363 G N 0.190 109.334 108.800 0.573 0.000 2.448 363 G HA2 -0.233 3.728 3.960 0.001 0.000 0.219 363 G HA3 -0.233 3.728 3.960 0.001 0.000 0.219 363 G C 1.346 176.362 174.900 0.195 0.000 1.127 363 G CA 0.453 45.794 45.100 0.400 0.000 0.766 363 G HN 0.207 nan 8.290 nan 0.000 0.552 364 M N 0.299 120.044 119.600 0.242 0.000 2.659 364 M HA 0.323 4.804 4.480 0.001 0.000 0.243 364 M C 0.527 176.969 176.300 0.236 0.000 1.111 364 M CA 0.237 55.644 55.300 0.177 0.000 1.070 364 M CB -0.044 32.650 32.600 0.157 0.000 1.525 364 M HN -0.010 nan 8.290 nan 0.000 0.517 365 I N 1.309 122.038 120.570 0.264 0.000 2.294 365 I HA 0.048 4.219 4.170 0.001 0.000 0.295 365 I C 0.342 176.486 176.117 0.045 0.000 1.098 365 I CA -0.453 60.939 61.300 0.154 0.000 1.277 365 I CB -0.186 37.934 38.000 0.201 0.000 1.434 365 I HN 0.096 nan 8.210 nan 0.000 0.498 366 N N 9.520 128.040 118.700 -0.299 0.000 2.440 366 N HA 0.036 4.777 4.740 0.001 0.000 0.265 366 N C -1.413 173.893 175.510 -0.339 0.000 1.239 366 N CA -1.191 51.582 53.050 -0.461 0.000 0.909 366 N CB 1.317 39.070 38.487 -1.224 0.000 1.066 366 N HN 0.285 nan 8.380 nan 0.000 0.474 367 P HA -0.153 nan 4.420 nan 0.000 0.220 367 P C 0.711 178.054 177.300 0.071 0.000 1.144 367 P CA 1.046 64.223 63.100 0.128 0.000 0.800 367 P CB 0.086 31.855 31.700 0.116 0.000 0.772 368 A N -0.568 122.186 122.820 -0.110 0.000 2.067 368 A HA -0.121 4.200 4.320 0.001 0.000 0.219 368 A C 2.206 179.761 177.584 -0.048 0.000 1.158 368 A CA 0.884 52.913 52.037 -0.014 0.000 0.661 368 A CB -1.474 17.587 19.000 0.101 0.000 0.801 368 A HN 0.148 nan 8.150 nan 0.000 0.452 369 I N -1.543 118.864 120.570 -0.271 0.000 2.208 369 I HA -0.277 3.894 4.170 0.001 0.000 0.245 369 I C 2.134 178.184 176.117 -0.113 0.000 1.097 369 I CA 1.373 62.483 61.300 -0.317 0.000 1.363 369 I CB -0.378 37.236 38.000 -0.644 0.000 1.051 369 I HN 0.332 nan 8.210 nan 0.000 0.413 370 F N 0.216 120.232 119.950 0.110 0.000 2.102 370 F HA -0.220 4.307 4.527 0.001 0.000 0.298 370 F C 2.374 178.264 175.800 0.149 0.000 1.105 370 F CA 1.150 59.250 58.000 0.167 0.000 1.239 370 F CB -0.654 38.395 39.000 0.082 0.000 0.991 370 F HN -0.060 nan 8.300 nan 0.000 0.474 371 I N 0.196 120.930 120.570 0.273 0.000 2.194 371 I HA -0.296 3.875 4.170 0.001 0.000 0.246 371 I C 2.381 178.612 176.117 0.190 0.000 1.093 371 I CA 1.722 63.144 61.300 0.203 0.000 1.355 371 I CB -1.233 36.857 38.000 0.151 0.000 1.046 371 I HN 0.170 nan 8.210 nan 0.000 0.413 372 I N -0.422 120.205 120.570 0.095 0.000 2.193 372 I HA -0.283 3.888 4.170 0.001 0.000 0.240 372 I C 2.495 178.638 176.117 0.044 0.000 1.084 372 I CA 1.173 62.472 61.300 -0.001 0.000 1.365 372 I CB -0.509 37.311 38.000 -0.299 0.000 1.064 372 I HN -0.035 nan 8.210 nan 0.000 0.410 373 F N 1.198 121.153 119.950 0.008 0.000 2.091 373 F HA -0.278 4.250 4.527 0.001 0.000 0.299 373 F C 2.772 178.619 175.800 0.079 0.000 1.103 373 F CA 1.846 59.844 58.000 -0.004 0.000 1.228 373 F CB -0.565 38.397 39.000 -0.062 0.000 0.984 373 F HN -0.040 nan 8.300 nan 0.000 0.477 374 R N -0.612 120.082 120.500 0.324 0.000 2.105 374 R HA -0.238 4.103 4.340 0.001 0.000 0.239 374 R C 2.344 178.782 176.300 0.230 0.000 1.135 374 R CA 1.789 58.036 56.100 0.245 0.000 0.967 374 R CB -0.740 29.694 30.300 0.223 0.000 0.861 374 R HN 0.335 nan 8.270 nan 0.000 0.442 375 F N 1.797 121.812 119.950 0.108 0.000 2.163 375 F HA -0.074 4.454 4.527 0.001 0.000 0.297 375 F C 1.971 177.812 175.800 0.069 0.000 1.094 375 F CA 1.490 59.543 58.000 0.089 0.000 1.290 375 F CB -0.142 38.917 39.000 0.099 0.000 1.017 375 F HN 0.069 nan 8.300 nan 0.000 0.483 376 I N -1.711 118.892 120.570 0.054 0.000 2.546 376 I HA -0.085 4.086 4.170 0.001 0.000 0.255 376 I C 2.020 178.144 176.117 0.012 0.000 1.163 376 I CA 1.409 62.683 61.300 -0.043 0.000 1.457 376 I CB -0.666 37.362 38.000 0.047 0.000 1.092 376 I HN 0.125 nan 8.210 nan 0.000 0.434 377 I N 0.995 121.634 120.570 0.115 0.000 3.030 377 I HA -0.041 4.130 4.170 0.001 0.000 0.270 377 I C 1.466 177.607 176.117 0.040 0.000 1.211 377 I CA 0.181 61.573 61.300 0.153 0.000 1.479 377 I CB 0.165 38.315 38.000 0.249 0.000 1.105 377 I HN 0.195 nan 8.210 nan 0.000 0.447 378 S N 2.153 117.846 115.700 -0.011 0.000 2.629 378 S HA -0.070 4.401 4.470 0.001 0.000 0.302 378 S C 0.592 175.152 174.600 -0.067 0.000 1.244 378 S CA 0.147 58.324 58.200 -0.038 0.000 1.098 378 S CB -0.467 62.690 63.200 -0.071 0.000 0.858 378 S HN 0.391 nan 8.310 nan 0.000 0.502 379 K N 2.478 122.855 120.400 -0.038 0.000 3.117 379 K HA -0.157 4.164 4.320 0.001 0.000 0.269 379 K C -0.725 175.842 176.600 -0.053 0.000 1.098 379 K CA 1.021 57.283 56.287 -0.042 0.000 0.785 379 K CB -1.205 31.270 32.500 -0.041 0.000 1.242 379 K HN 0.620 nan 8.250 nan 0.000 0.491 380 D N -0.190 120.178 120.400 -0.053 0.000 2.656 380 D HA 0.153 4.793 4.640 0.001 0.000 0.303 380 D C 0.619 176.876 176.300 -0.073 0.000 1.199 380 D CA -0.165 53.803 54.000 -0.054 0.000 0.797 380 D CB 0.629 41.402 40.800 -0.044 0.000 1.170 380 D HN 0.050 nan 8.370 nan 0.000 0.509 381 T N 0.849 115.333 114.554 -0.116 0.000 2.653 381 T HA -0.277 4.073 4.350 0.001 0.000 0.267 381 T C 1.860 176.481 174.700 -0.131 0.000 1.037 381 T CA 1.636 63.600 62.100 -0.227 0.000 1.159 381 T CB 0.049 68.828 68.868 -0.149 0.000 0.859 381 T HN 0.506 nan 8.240 nan 0.000 0.449 382 R N 0.353 120.827 120.500 -0.043 0.000 2.148 382 R HA 0.107 4.447 4.340 0.001 0.000 0.223 382 R C 2.274 178.581 176.300 0.012 0.000 1.088 382 R CA 0.745 56.851 56.100 0.010 0.000 0.985 382 R CB -0.564 29.735 30.300 -0.001 0.000 0.880 382 R HN 0.281 nan 8.270 nan 0.000 0.451 383 L N 1.777 122.982 121.223 -0.030 0.000 2.095 383 L HA -0.010 4.331 4.340 0.001 0.000 0.204 383 L C 1.928 178.787 176.870 -0.019 0.000 1.080 383 L CA 1.658 56.444 54.840 -0.089 0.000 0.759 383 L CB -0.264 41.753 42.059 -0.071 0.000 0.914 383 L HN -0.033 nan 8.230 nan 0.000 0.439 384 K N -0.318 120.142 120.400 0.100 0.000 2.034 384 K HA -0.223 4.098 4.320 0.001 0.000 0.214 384 K C 1.674 178.400 176.600 0.210 0.000 1.051 384 K CA 1.926 58.324 56.287 0.184 0.000 0.931 384 K CB -0.357 32.135 32.500 -0.013 0.000 0.715 384 K HN 0.344 nan 8.250 nan 0.000 0.446 385 D N -0.586 119.949 120.400 0.224 0.000 2.264 385 D HA -0.137 4.503 4.640 0.001 0.000 0.208 385 D C 1.603 178.096 176.300 0.321 0.000 0.966 385 D CA 0.806 55.034 54.000 0.380 0.000 0.864 385 D CB -0.069 41.002 40.800 0.453 0.000 0.933 385 D HN 0.247 nan 8.370 nan 0.000 0.499 386 Y N 0.134 120.464 120.300 0.050 0.000 2.286 386 Y HA -0.100 4.451 4.550 0.001 0.000 0.293 386 Y C 1.751 177.640 175.900 -0.018 0.000 1.124 386 Y CA 0.982 59.064 58.100 -0.030 0.000 1.178 386 Y CB -0.284 38.061 38.460 -0.192 0.000 1.010 386 Y HN -0.220 nan 8.280 nan 0.000 0.536 387 F N -0.057 119.892 119.950 -0.002 0.000 2.186 387 F HA -0.149 4.378 4.527 0.001 0.000 0.299 387 F C 2.170 177.854 175.800 -0.194 0.000 1.090 387 F CA 1.286 59.224 58.000 -0.104 0.000 1.307 387 F CB -0.810 38.202 39.000 0.020 0.000 1.019 387 F HN 0.038 nan 8.300 nan 0.000 0.489 388 I N -2.314 118.239 120.570 -0.030 0.000 2.235 388 I HA -0.242 3.929 4.170 0.001 0.000 0.241 388 I C 1.919 177.753 176.117 -0.472 0.000 1.085 388 I CA 1.469 62.545 61.300 -0.373 0.000 1.378 388 I CB -0.398 37.213 38.000 -0.648 0.000 1.076 388 I HN 0.094 nan 8.210 nan 0.000 0.415 389 W N -0.715 120.559 121.300 -0.044 0.000 2.683 389 W HA 0.183 4.844 4.660 0.001 0.000 0.267 389 W C 0.814 177.312 176.519 -0.034 0.000 1.243 389 W CA -0.215 57.105 57.345 -0.041 0.000 1.380 389 W CB 0.137 29.574 29.460 -0.038 0.000 1.063 389 W HN 0.046 nan 8.180 nan 0.000 0.599 390 N N 1.324 120.069 118.700 0.075 0.000 2.738 390 N HA -0.280 4.461 4.740 0.001 0.000 0.249 390 N C -0.091 175.506 175.510 0.144 0.000 1.047 390 N CA 1.544 54.545 53.050 -0.082 0.000 0.707 390 N CB -1.667 36.757 38.487 -0.105 0.000 0.937 390 N HN 0.596 nan 8.380 nan 0.000 0.545 391 N N -2.482 116.372 118.700 0.257 0.000 2.961 391 N HA -0.230 4.511 4.740 0.001 0.000 0.223 391 N C -0.219 175.399 175.510 0.181 0.000 0.866 391 N CA 1.406 54.592 53.050 0.227 0.000 1.030 391 N CB -0.868 37.738 38.487 0.199 0.000 1.037 391 N HN 0.535 nan 8.380 nan 0.000 0.608 392 N N 1.477 120.305 118.700 0.213 0.000 2.326 392 N HA 0.170 4.911 4.740 0.001 0.000 0.239 392 N C -2.422 173.166 175.510 0.130 0.000 1.301 392 N CA -0.234 52.925 53.050 0.181 0.000 0.909 392 N CB 0.219 38.847 38.487 0.235 0.000 1.156 392 N HN 0.047 nan 8.380 nan 0.000 0.462 393 P HA 0.191 nan 4.420 nan 0.000 0.278 393 P C 0.027 177.179 177.300 -0.248 0.000 1.238 393 P CA 0.005 63.050 63.100 -0.090 0.000 0.794 393 P CB 0.481 32.138 31.700 -0.070 0.000 0.955 394 H N 0.343 118.954 119.070 -0.766 0.000 2.547 394 H HA -0.066 4.490 4.556 0.001 0.000 0.272 394 H C 0.376 175.393 175.328 -0.519 0.000 0.989 394 H CA 0.871 56.138 56.048 -1.302 0.000 1.214 394 H CB 0.011 29.154 29.762 -1.031 0.000 1.389 394 H HN 0.574 nan 8.280 nan 0.000 0.577 395 D N -0.228 120.093 120.400 -0.131 0.000 2.346 395 D HA -0.046 4.595 4.640 0.001 0.000 0.206 395 D C 0.830 177.160 176.300 0.050 0.000 1.001 395 D CA 0.050 54.042 54.000 -0.013 0.000 0.871 395 D CB 0.187 40.971 40.800 -0.027 0.000 0.943 395 D HN 0.124 nan 8.370 nan 0.000 0.518 396 Q N 0.804 120.642 119.800 0.064 0.000 2.407 396 Q HA 0.266 4.606 4.340 0.001 0.000 0.214 396 Q C -2.228 173.908 176.000 0.228 0.000 1.043 396 Q CA -1.439 54.439 55.803 0.125 0.000 0.983 396 Q CB -0.156 28.657 28.738 0.124 0.000 1.211 396 Q HN 0.108 nan 8.270 nan 0.000 0.564 397 P HA 0.199 nan 4.420 nan 0.000 0.275 397 P C -2.430 174.998 177.300 0.214 0.000 1.227 397 P CA -1.313 61.886 63.100 0.165 0.000 0.781 397 P CB -0.267 31.483 31.700 0.083 0.000 0.906 398 P HA 0.064 nan 4.420 nan 0.000 0.264 398 P C -2.206 175.095 177.300 0.002 0.000 1.183 398 P CA -0.659 62.405 63.100 -0.060 0.000 0.763 398 P CB -0.920 30.576 31.700 -0.340 0.000 0.807 399 P HA 0.109 nan 4.420 nan 0.000 0.274 399 P C -1.922 175.369 177.300 -0.014 0.000 1.231 399 P CA -1.660 61.458 63.100 0.031 0.000 0.790 399 P CB -0.012 31.721 31.700 0.055 0.000 0.951 400 P HA -0.122 nan 4.420 nan 0.000 0.226 400 P C 1.341 178.636 177.300 -0.009 0.000 1.153 400 P CA 1.492 64.586 63.100 -0.011 0.000 0.777 400 P CB -0.507 31.193 31.700 -0.000 0.000 0.794 401 T N -3.325 111.227 114.554 -0.004 0.000 3.023 401 T HA 0.098 4.449 4.350 0.001 0.000 0.266 401 T C 1.222 175.913 174.700 -0.017 0.000 1.093 401 T CA 0.490 62.590 62.100 -0.000 0.000 1.129 401 T CB -0.907 67.964 68.868 0.004 0.000 0.899 401 T HN 0.039 nan 8.240 nan 0.000 0.491 402 G N 0.212 108.985 108.800 -0.046 0.000 2.580 402 G HA2 0.533 4.494 3.960 0.001 0.000 0.278 402 G HA3 0.533 4.494 3.960 0.001 0.000 0.278 402 G C 0.605 175.454 174.900 -0.085 0.000 1.212 402 G CA -0.774 44.279 45.100 -0.078 0.000 0.939 402 G HN 0.332 nan 8.290 nan 0.000 0.513 403 L N 0.105 121.262 121.223 -0.109 0.000 2.313 403 L HA 0.066 4.407 4.340 0.001 0.000 0.214 403 L C 2.700 179.456 176.870 -0.189 0.000 1.119 403 L CA 0.307 55.043 54.840 -0.173 0.000 0.809 403 L CB -0.208 41.697 42.059 -0.256 0.000 0.933 403 L HN 0.528 nan 8.230 nan 0.000 0.449 404 I N -0.240 120.225 120.570 -0.174 0.000 2.179 404 I HA -0.316 3.855 4.170 0.001 0.000 0.242 404 I C 2.389 178.465 176.117 -0.068 0.000 1.088 404 I CA 1.195 62.434 61.300 -0.102 0.000 1.357 404 I CB -0.092 37.836 38.000 -0.120 0.000 1.051 404 I HN 0.173 nan 8.210 nan 0.000 0.409 405 I N 0.896 121.411 120.570 -0.091 0.000 2.202 405 I HA -0.252 3.919 4.170 0.001 0.000 0.242 405 I C 2.453 178.528 176.117 -0.070 0.000 1.091 405 I CA 1.626 62.884 61.300 -0.070 0.000 1.368 405 I CB -1.159 36.806 38.000 -0.058 0.000 1.058 405 I HN 0.229 nan 8.210 nan 0.000 0.410 406 K N 0.533 120.885 120.400 -0.080 0.000 2.032 406 K HA -0.134 4.187 4.320 0.001 0.000 0.209 406 K C 2.177 178.682 176.600 -0.159 0.000 1.048 406 K CA 1.221 57.462 56.287 -0.076 0.000 0.927 406 K CB -0.196 32.283 32.500 -0.034 0.000 0.712 406 K HN 0.254 nan 8.250 nan 0.000 0.441 407 L N 0.996 122.072 121.223 -0.245 0.000 2.156 407 L HA -0.143 4.198 4.340 0.001 0.000 0.208 407 L C 1.866 178.640 176.870 -0.161 0.000 1.095 407 L CA 0.636 55.283 54.840 -0.323 0.000 0.770 407 L CB -0.373 41.459 42.059 -0.379 0.000 0.914 407 L HN 0.191 nan 8.230 nan 0.000 0.439 408 N N 0.482 119.139 118.700 -0.072 0.000 2.166 408 N HA -0.135 4.606 4.740 0.001 0.000 0.186 408 N C 1.873 177.349 175.510 -0.056 0.000 1.019 408 N CA 1.499 54.530 53.050 -0.032 0.000 0.856 408 N CB -0.218 38.248 38.487 -0.035 0.000 0.993 408 N HN 0.290 nan 8.380 nan 0.000 0.426 409 A N 0.470 123.254 122.820 -0.061 0.000 1.969 409 A HA -0.030 4.291 4.320 0.001 0.000 0.218 409 A C 2.450 180.006 177.584 -0.047 0.000 1.169 409 A CA 0.962 52.972 52.037 -0.045 0.000 0.635 409 A CB -0.575 18.406 19.000 -0.031 0.000 0.810 409 A HN 0.093 nan 8.150 nan 0.000 0.445 410 V N -0.114 119.758 119.914 -0.070 0.000 2.295 410 V HA -0.334 3.786 4.120 0.001 0.000 0.246 410 V C 2.600 178.640 176.094 -0.089 0.000 1.049 410 V CA 2.252 64.514 62.300 -0.063 0.000 1.024 410 V CB -0.754 31.012 31.823 -0.094 0.000 0.648 410 V HN 0.581 nan 8.190 nan 0.000 0.447 411 M N -0.787 118.736 119.600 -0.129 0.000 2.088 411 M HA -0.232 4.248 4.480 0.001 0.000 0.256 411 M C 2.133 178.396 176.300 -0.063 0.000 1.071 411 M CA 2.036 57.244 55.300 -0.153 0.000 1.097 411 M CB -0.417 32.106 32.600 -0.127 0.000 1.315 411 M HN 0.247 nan 8.290 nan 0.000 0.406 412 I N -0.513 120.038 120.570 -0.031 0.000 2.277 412 I HA -0.099 4.072 4.170 0.001 0.000 0.243 412 I C 2.648 178.784 176.117 0.031 0.000 1.094 412 I CA 1.499 62.813 61.300 0.024 0.000 1.393 412 I CB -2.133 35.867 38.000 -0.000 0.000 1.078 412 I HN 0.319 nan 8.210 nan 0.000 0.417 413 G N 0.862 109.650 108.800 -0.020 0.000 2.513 413 G HA2 -0.271 3.689 3.960 0.001 0.000 0.219 413 G HA3 -0.271 3.689 3.960 0.001 0.000 0.219 413 G C 1.803 176.653 174.900 -0.082 0.000 1.160 413 G CA 1.325 46.393 45.100 -0.054 0.000 0.767 413 G HN 0.416 nan 8.290 nan 0.000 0.571 414 S N -0.244 115.411 115.700 -0.076 0.000 2.368 414 S HA -0.135 4.335 4.470 0.001 0.000 0.225 414 S C 1.975 176.518 174.600 -0.094 0.000 1.030 414 S CA 1.250 59.390 58.200 -0.100 0.000 0.999 414 S CB -0.496 62.637 63.200 -0.113 0.000 0.844 414 S HN 0.514 nan 8.310 nan 0.000 0.459 415 Y N 2.714 122.930 120.300 -0.139 0.000 2.128 415 Y HA -0.168 4.382 4.550 0.001 0.000 0.284 415 Y C 2.357 178.204 175.900 -0.089 0.000 1.154 415 Y CA 1.517 59.547 58.100 -0.117 0.000 1.149 415 Y CB -0.395 38.020 38.460 -0.075 0.000 0.976 415 Y HN 0.050 nan 8.280 nan 0.000 0.505 416 R N -0.167 120.242 120.500 -0.151 0.000 2.119 416 R HA -0.220 4.121 4.340 0.001 0.000 0.246 416 R C 2.241 178.396 176.300 -0.242 0.000 1.146 416 R CA 2.125 58.106 56.100 -0.199 0.000 0.962 416 R CB -0.606 29.649 30.300 -0.075 0.000 0.863 416 R HN 0.411 nan 8.270 nan 0.000 0.442 417 L N 0.369 121.470 121.223 -0.202 0.000 2.313 417 L HA -0.038 4.303 4.340 0.001 0.000 0.214 417 L C 2.186 178.950 176.870 -0.177 0.000 1.119 417 L CA 0.677 55.423 54.840 -0.157 0.000 0.809 417 L CB -0.136 41.845 42.059 -0.130 0.000 0.933 417 L HN 0.306 nan 8.230 nan 0.000 0.449 418 I N -4.533 115.869 120.570 -0.280 0.000 3.854 418 I HA 0.218 4.388 4.170 0.001 0.000 0.312 418 I C 2.484 178.427 176.117 -0.289 0.000 1.273 418 I CA 0.526 61.634 61.300 -0.321 0.000 1.298 418 I CB -0.288 37.401 38.000 -0.519 0.000 1.071 418 I HN -0.051 nan 8.210 nan 0.000 0.428 419 A N 2.473 125.041 122.820 -0.421 0.000 1.892 419 A HA -0.125 4.196 4.320 0.001 0.000 0.218 419 A C 2.378 179.943 177.584 -0.033 0.000 1.188 419 A CA 2.274 54.088 52.037 -0.371 0.000 0.631 419 A CB -1.669 16.927 19.000 -0.672 0.000 0.822 419 A HN 0.533 nan 8.150 nan 0.000 0.447 420 G N -0.793 107.976 108.800 -0.052 0.000 2.422 420 G HA2 -0.042 3.918 3.960 0.001 0.000 0.218 420 G HA3 -0.042 3.918 3.960 0.001 0.000 0.218 420 G C 0.759 175.699 174.900 0.067 0.000 1.140 420 G CA 0.282 45.389 45.100 0.011 0.000 0.775 420 G HN 0.587 nan 8.290 nan 0.000 0.545 421 Q N 1.223 121.077 119.800 0.090 0.000 2.263 421 Q HA -0.021 4.320 4.340 0.001 0.000 0.289 421 Q C -0.272 175.839 176.000 0.185 0.000 1.061 421 Q CA -0.233 55.641 55.803 0.119 0.000 0.927 421 Q CB 0.513 29.303 28.738 0.086 0.000 1.154 421 Q HN 0.343 nan 8.270 nan 0.000 0.378 422 N N 5.010 123.773 118.700 0.106 0.000 2.438 422 N HA 0.013 4.754 4.740 0.001 0.000 0.267 422 N C -1.724 173.848 175.510 0.103 0.000 1.222 422 N CA -1.440 51.655 53.050 0.076 0.000 0.930 422 N CB 0.729 39.242 38.487 0.043 0.000 1.083 422 N HN 0.231 nan 8.380 nan 0.000 0.476 423 P HA -0.143 nan 4.420 nan 0.000 0.223 423 P C 0.401 177.744 177.300 0.072 0.000 1.144 423 P CA 0.984 64.149 63.100 0.108 0.000 0.783 423 P CB 0.432 32.112 31.700 -0.033 0.000 0.771 424 E N -0.179 120.047 120.200 0.043 0.000 2.150 424 E HA -0.100 4.251 4.350 0.001 0.000 0.193 424 E C 2.001 178.625 176.600 0.041 0.000 0.985 424 E CA 1.716 58.136 56.400 0.034 0.000 0.814 424 E CB -1.263 28.449 29.700 0.020 0.000 0.752 424 E HN 0.417 nan 8.360 nan 0.000 0.466 425 T N -0.491 114.093 114.554 0.050 0.000 3.051 425 T HA -0.084 4.267 4.350 0.001 0.000 0.269 425 T C 1.892 176.624 174.700 0.053 0.000 1.127 425 T CA 0.416 62.544 62.100 0.047 0.000 1.107 425 T CB -0.212 68.684 68.868 0.047 0.000 0.898 425 T HN -0.002 nan 8.240 nan 0.000 0.517 426 L N 2.750 124.014 121.223 0.067 0.000 1.991 426 L HA -0.023 4.318 4.340 0.001 0.000 0.221 426 L C -0.779 176.122 176.870 0.052 0.000 1.079 426 L CA 2.253 57.135 54.840 0.070 0.000 0.778 426 L CB -1.456 40.655 42.059 0.087 0.000 0.893 426 L HN 0.187 nan 8.230 nan 0.000 0.437 427 P HA -0.161 nan 4.420 nan 0.000 0.221 427 P C 0.531 177.850 177.300 0.033 0.000 1.145 427 P CA 1.414 64.536 63.100 0.036 0.000 0.795 427 P CB -0.047 31.672 31.700 0.031 0.000 0.775 428 Q N -1.686 118.134 119.800 0.033 0.000 2.182 428 Q HA 0.185 4.525 4.340 0.001 0.000 0.270 428 Q C -0.146 175.872 176.000 0.030 0.000 0.861 428 Q CA -0.142 55.678 55.803 0.028 0.000 1.098 428 Q CB 0.127 28.880 28.738 0.024 0.000 1.188 428 Q HN -0.014 nan 8.270 nan 0.000 0.464 429 N N 0.789 119.511 118.700 0.036 0.000 2.725 429 N HA 0.144 4.885 4.740 0.001 0.000 0.248 429 N C -2.215 173.321 175.510 0.043 0.000 1.402 429 N CA -1.805 51.267 53.050 0.038 0.000 0.766 429 N CB 1.183 39.696 38.487 0.043 0.000 1.223 429 N HN -0.042 nan 8.380 nan 0.000 0.515 430 P HA -0.091 nan 4.420 nan 0.000 0.218 430 P C 1.135 178.476 177.300 0.068 0.000 1.149 430 P CA 1.405 64.534 63.100 0.048 0.000 0.817 430 P CB 0.345 32.063 31.700 0.031 0.000 0.785 431 E N 0.509 120.741 120.200 0.054 0.000 2.106 431 E HA -0.167 4.183 4.350 0.001 0.000 0.192 431 E C 1.999 178.654 176.600 0.091 0.000 0.984 431 E CA 1.384 57.829 56.400 0.076 0.000 0.806 431 E CB -1.496 28.235 29.700 0.052 0.000 0.750 431 E HN 0.210 nan 8.360 nan 0.000 0.458 432 L N 0.498 121.750 121.223 0.049 0.000 2.027 432 L HA 0.173 4.513 4.340 0.001 0.000 0.206 432 L C 2.798 179.673 176.870 0.008 0.000 1.074 432 L CA 2.438 57.284 54.840 0.009 0.000 0.745 432 L CB -0.824 41.245 42.059 0.016 0.000 0.898 432 L HN 0.312 nan 8.230 nan 0.000 0.433 433 A N -1.163 121.684 122.820 0.045 0.000 1.908 433 A HA -0.316 4.005 4.320 0.001 0.000 0.218 433 A C 2.444 180.054 177.584 0.043 0.000 1.181 433 A CA 1.914 53.978 52.037 0.044 0.000 0.627 433 A CB -1.240 17.794 19.000 0.058 0.000 0.818 433 A HN 0.782 nan 8.150 nan 0.000 0.445 434 H N -0.105 118.961 119.070 -0.007 0.000 2.321 434 H HA -0.034 4.523 4.556 0.001 0.000 0.300 434 H C 1.899 177.216 175.328 -0.017 0.000 1.087 434 H CA 1.820 57.867 56.048 -0.001 0.000 1.319 434 H CB -0.159 29.613 29.762 0.017 0.000 1.379 434 H HN 0.432 nan 8.280 nan 0.000 0.501 435 L N 0.290 121.466 121.223 -0.077 0.000 2.141 435 L HA -0.143 4.198 4.340 0.001 0.000 0.209 435 L C 2.806 179.552 176.870 -0.206 0.000 1.094 435 L CA 0.659 55.406 54.840 -0.156 0.000 0.763 435 L CB -0.258 41.756 42.059 -0.075 0.000 0.908 435 L HN 0.253 nan 8.230 nan 0.000 0.437 436 I N -0.574 119.896 120.570 -0.167 0.000 2.226 436 I HA -0.292 3.878 4.170 0.001 0.000 0.245 436 I C 2.605 178.620 176.117 -0.171 0.000 1.100 436 I CA 1.027 62.236 61.300 -0.153 0.000 1.374 436 I CB -0.063 37.892 38.000 -0.076 0.000 1.057 436 I HN 0.262 nan 8.210 nan 0.000 0.413 437 Q N 0.218 119.910 119.800 -0.179 0.000 2.167 437 Q HA -0.109 4.231 4.340 0.001 0.000 0.202 437 Q C 2.145 177.949 176.000 -0.326 0.000 0.970 437 Q CA 1.243 56.922 55.803 -0.207 0.000 0.855 437 Q CB -0.165 28.486 28.738 -0.146 0.000 0.911 437 Q HN 0.323 nan 8.270 nan 0.000 0.438 438 V N 0.039 119.741 119.914 -0.353 0.000 2.407 438 V HA -0.244 3.876 4.120 0.001 0.000 0.248 438 V C 1.978 177.837 176.094 -0.391 0.000 1.055 438 V CA 1.563 63.679 62.300 -0.307 0.000 1.049 438 V CB -0.394 31.310 31.823 -0.199 0.000 0.662 438 V HN 0.359 nan 8.190 nan 0.000 0.455 439 I N -0.530 119.801 120.570 -0.398 0.000 2.202 439 I HA -0.228 3.943 4.170 0.001 0.000 0.242 439 I C 2.252 177.907 176.117 -0.769 0.000 1.091 439 I CA 1.702 62.649 61.300 -0.589 0.000 1.368 439 I CB -0.310 37.386 38.000 -0.506 0.000 1.058 439 I HN 0.199 nan 8.210 nan 0.000 0.410 440 I N 0.427 120.724 120.570 -0.454 0.000 2.208 440 I HA -0.316 3.855 4.170 0.001 0.000 0.245 440 I C 2.666 178.596 176.117 -0.311 0.000 1.097 440 I CA 1.575 62.737 61.300 -0.230 0.000 1.363 440 I CB -0.380 37.554 38.000 -0.109 0.000 1.051 440 I HN 0.161 nan 8.210 nan 0.000 0.413 441 R N -0.221 119.941 120.500 -0.564 0.000 2.115 441 R HA -0.075 4.266 4.340 0.001 0.000 0.226 441 R C 2.285 178.081 176.300 -0.840 0.000 1.100 441 R CA 1.593 57.189 56.100 -0.839 0.000 0.980 441 R CB -0.360 29.047 30.300 -1.489 0.000 0.875 441 R HN 0.334 nan 8.270 nan 0.000 0.445 442 T N 0.812 114.932 114.554 -0.725 0.000 2.777 442 T HA -0.091 4.260 4.350 0.001 0.000 0.266 442 T C 1.286 175.857 174.700 -0.214 0.000 1.040 442 T CA 1.100 62.978 62.100 -0.369 0.000 1.141 442 T CB -0.212 68.450 68.868 -0.343 0.000 0.868 442 T HN 0.023 nan 8.240 nan 0.000 0.444 443 F N 1.921 121.744 119.950 -0.212 0.000 2.065 443 F HA -0.107 4.421 4.527 0.001 0.000 0.298 443 F C 2.363 178.058 175.800 -0.175 0.000 1.112 443 F CA 0.976 58.874 58.000 -0.169 0.000 1.212 443 F CB -1.219 37.701 39.000 -0.133 0.000 0.975 443 F HN 0.187 nan 8.300 nan 0.000 0.476 444 D N -0.187 120.227 120.400 0.023 0.000 2.117 444 D HA -0.175 4.466 4.640 0.001 0.000 0.197 444 D C 2.171 178.446 176.300 -0.040 0.000 0.987 444 D CA 0.781 54.767 54.000 -0.024 0.000 0.829 444 D CB -0.189 40.580 40.800 -0.050 0.000 0.961 444 D HN 0.128 nan 8.370 nan 0.000 0.460 445 L N 0.042 121.228 121.223 -0.063 0.000 2.056 445 L HA 0.007 4.348 4.340 0.001 0.000 0.207 445 L C 2.077 178.884 176.870 -0.106 0.000 1.078 445 L CA 1.363 56.178 54.840 -0.042 0.000 0.749 445 L CB -0.509 41.553 42.059 0.005 0.000 0.901 445 L HN 0.168 nan 8.230 nan 0.000 0.433 446 L N -0.689 120.442 121.223 -0.153 0.000 2.042 446 L HA -0.149 4.191 4.340 0.001 0.000 0.210 446 L C 2.552 179.289 176.870 -0.223 0.000 1.076 446 L CA 1.320 56.015 54.840 -0.242 0.000 0.749 446 L CB -1.494 40.368 42.059 -0.328 0.000 0.893 446 L HN 0.458 nan 8.230 nan 0.000 0.432 447 G N 0.333 109.042 108.800 -0.152 0.000 2.553 447 G HA2 -0.314 3.646 3.960 0.001 0.000 0.218 447 G HA3 -0.314 3.646 3.960 0.001 0.000 0.218 447 G C 1.600 176.464 174.900 -0.061 0.000 1.195 447 G CA 1.172 46.209 45.100 -0.106 0.000 0.779 447 G HN 0.242 nan 8.290 nan 0.000 0.577 448 L N -0.189 121.016 121.223 -0.030 0.000 2.093 448 L HA 0.073 4.414 4.340 0.001 0.000 0.208 448 L C 2.923 179.815 176.870 0.036 0.000 1.085 448 L CA 0.561 55.409 54.840 0.014 0.000 0.755 448 L CB -0.214 41.865 42.059 0.033 0.000 0.904 448 L HN 0.196 nan 8.230 nan 0.000 0.435 449 L N -0.780 120.442 121.223 -0.001 0.000 2.056 449 L HA -0.161 4.179 4.340 0.001 0.000 0.207 449 L C 0.948 177.875 176.870 0.096 0.000 1.078 449 L CA 0.673 55.535 54.840 0.038 0.000 0.749 449 L CB -0.201 41.826 42.059 -0.053 0.000 0.901 449 L HN 0.173 nan 8.230 nan 0.000 0.433 450 L N 0.861 122.065 121.223 -0.031 0.000 2.376 450 L HA -0.009 4.331 4.340 0.001 0.000 0.250 450 L C 1.344 178.204 176.870 -0.016 0.000 1.335 450 L CA -0.196 54.601 54.840 -0.071 0.000 1.214 450 L CB -0.453 41.487 42.059 -0.197 0.000 1.395 450 L HN 0.343 nan 8.230 nan 0.000 0.424 451 H N -1.818 117.258 119.070 0.009 0.000 2.525 451 H HA 0.134 4.691 4.556 0.001 0.000 0.275 451 H C 0.158 175.513 175.328 0.046 0.000 0.984 451 H CA 0.046 56.112 56.048 0.029 0.000 1.264 451 H CB 0.219 30.009 29.762 0.048 0.000 1.432 451 H HN 0.570 nan 8.280 nan 0.000 0.549 452 D N -1.413 118.730 120.400 -0.429 0.000 2.744 452 D HA 0.205 4.845 4.640 0.001 0.000 0.304 452 D C 0.746 176.980 176.300 -0.110 0.000 1.179 452 D CA -0.635 53.240 54.000 -0.208 0.000 1.024 452 D CB 0.873 41.562 40.800 -0.185 0.000 1.453 452 D HN -0.065 nan 8.370 nan 0.000 0.529 453 S N -0.710 114.971 115.700 -0.032 0.000 2.370 453 S HA -0.144 4.327 4.470 0.001 0.000 0.226 453 S C 1.063 175.697 174.600 0.056 0.000 1.033 453 S CA 1.482 59.690 58.200 0.014 0.000 1.011 453 S CB -0.443 62.769 63.200 0.019 0.000 0.852 453 S HN 0.477 nan 8.310 nan 0.000 0.457 454 D N 1.214 121.665 120.400 0.084 0.000 2.149 454 D HA 0.023 4.664 4.640 0.001 0.000 0.201 454 D C 2.173 178.659 176.300 0.311 0.000 0.972 454 D CA 1.039 55.153 54.000 0.190 0.000 0.835 454 D CB -0.198 40.730 40.800 0.213 0.000 0.966 454 D HN 0.408 nan 8.370 nan 0.000 0.476 455 A N 1.406 124.329 122.820 0.171 0.000 1.877 455 A HA -0.130 4.191 4.320 0.001 0.000 0.216 455 A C 2.334 179.952 177.584 0.056 0.000 1.186 455 A CA 0.812 52.894 52.037 0.074 0.000 0.620 455 A CB -0.746 18.194 19.000 -0.100 0.000 0.822 455 A HN 0.121 nan 8.150 nan 0.000 0.443 456 I N -0.322 120.276 120.570 0.046 0.000 2.208 456 I HA -0.245 3.926 4.170 0.001 0.000 0.245 456 I C 2.000 178.212 176.117 0.158 0.000 1.097 456 I CA 1.549 62.903 61.300 0.090 0.000 1.363 456 I CB -0.365 37.666 38.000 0.052 0.000 1.051 456 I HN 0.255 nan 8.210 nan 0.000 0.413 457 D N 0.764 121.246 120.400 0.137 0.000 2.117 457 D HA -0.108 4.532 4.640 0.001 0.000 0.198 457 D C 2.191 178.581 176.300 0.150 0.000 0.982 457 D CA 1.453 55.534 54.000 0.135 0.000 0.828 457 D CB -0.403 40.471 40.800 0.123 0.000 0.967 457 D HN 0.340 nan 8.370 nan 0.000 0.464 458 G N 0.118 109.036 108.800 0.196 0.000 2.446 458 G HA2 -0.311 3.650 3.960 0.001 0.000 0.217 458 G HA3 -0.311 3.650 3.960 0.001 0.000 0.217 458 G C 1.554 176.490 174.900 0.060 0.000 1.168 458 G CA 0.599 45.778 45.100 0.131 0.000 0.771 458 G HN 0.260 nan 8.290 nan 0.000 0.551 459 F N 1.378 121.281 119.950 -0.079 0.000 2.065 459 F HA -0.138 4.390 4.527 0.001 0.000 0.298 459 F C 2.750 178.529 175.800 -0.035 0.000 1.112 459 F CA 1.633 59.587 58.000 -0.077 0.000 1.212 459 F CB -0.507 38.452 39.000 -0.068 0.000 0.975 459 F HN 0.017 nan 8.300 nan 0.000 0.476 460 V N 0.919 120.818 119.914 -0.025 0.000 2.427 460 V HA -0.260 3.860 4.120 0.001 0.000 0.248 460 V C 2.381 178.411 176.094 -0.107 0.000 1.051 460 V CA 2.174 64.410 62.300 -0.106 0.000 1.048 460 V CB -0.664 31.179 31.823 0.034 0.000 0.666 460 V HN 0.286 nan 8.190 nan 0.000 0.456 461 R N 0.023 120.499 120.500 -0.041 0.000 2.235 461 R HA 0.006 4.346 4.340 0.001 0.000 0.213 461 R C 1.924 178.187 176.300 -0.062 0.000 1.059 461 R CA 1.060 57.145 56.100 -0.025 0.000 0.997 461 R CB -0.230 30.087 30.300 0.028 0.000 0.884 461 R HN 0.422 nan 8.270 nan 0.000 0.462 462 S N 0.549 116.178 115.700 -0.117 0.000 2.605 462 S HA 0.031 4.502 4.470 0.001 0.000 0.217 462 S C -0.263 174.212 174.600 -0.210 0.000 0.958 462 S CA -0.044 58.071 58.200 -0.141 0.000 0.919 462 S CB 0.256 63.377 63.200 -0.133 0.000 0.780 462 S HN 0.234 nan 8.310 nan 0.000 0.507 463 D N 0.059 120.310 120.400 -0.248 0.000 3.051 463 D HA -0.117 4.523 4.640 0.001 0.000 0.218 463 D C 1.114 177.175 176.300 -0.398 0.000 1.129 463 D CA 0.803 54.652 54.000 -0.252 0.000 0.868 463 D CB -1.414 39.290 40.800 -0.161 0.000 1.100 463 D HN 0.495 nan 8.370 nan 0.000 0.429 464 G N 0.149 108.480 108.800 -0.783 0.000 2.440 464 G HA2 -0.212 3.748 3.960 0.001 0.000 0.218 464 G HA3 -0.212 3.748 3.960 0.001 0.000 0.218 464 G C 1.770 176.317 174.900 -0.588 0.000 1.154 464 G CA 1.253 45.538 45.100 -1.359 0.000 0.767 464 G HN 0.397 nan 8.290 nan 0.000 0.552 465 V N 1.447 121.141 119.914 -0.367 0.000 2.358 465 V HA -0.031 4.090 4.120 0.001 0.000 0.246 465 V C 3.152 179.166 176.094 -0.134 0.000 1.047 465 V CA 1.905 64.129 62.300 -0.127 0.000 1.035 465 V CB -1.021 30.802 31.823 0.001 0.000 0.658 465 V HN 0.440 nan 8.190 nan 0.000 0.452 466 G N -0.163 108.550 108.800 -0.145 0.000 2.446 466 G HA2 -0.269 3.691 3.960 0.001 0.000 0.217 466 G HA3 -0.269 3.691 3.960 0.001 0.000 0.217 466 G C 1.788 176.592 174.900 -0.159 0.000 1.168 466 G CA 1.255 46.273 45.100 -0.138 0.000 0.771 466 G HN 0.605 nan 8.290 nan 0.000 0.551 467 A N 0.856 123.584 122.820 -0.154 0.000 1.865 467 A HA -0.012 4.308 4.320 0.001 0.000 0.217 467 A C 2.436 179.972 177.584 -0.080 0.000 1.191 467 A CA 1.529 53.494 52.037 -0.119 0.000 0.623 467 A CB -0.459 18.484 19.000 -0.095 0.000 0.826 467 A HN 0.386 nan 8.150 nan 0.000 0.444 468 I N 0.070 120.630 120.570 -0.017 0.000 2.091 468 I HA -0.290 3.881 4.170 0.001 0.000 0.239 468 I C 2.947 179.003 176.117 -0.101 0.000 1.061 468 I CA 2.084 63.398 61.300 0.024 0.000 1.317 468 I CB -0.801 37.172 38.000 -0.045 0.000 1.031 468 I HN 0.570 nan 8.210 nan 0.000 0.401 469 T N -1.858 112.595 114.554 -0.168 0.000 2.833 469 T HA -0.173 4.177 4.350 0.001 0.000 0.269 469 T C 1.805 176.260 174.700 -0.408 0.000 1.054 469 T CA 2.016 63.983 62.100 -0.221 0.000 1.135 469 T CB -0.765 67.998 68.868 -0.176 0.000 0.869 469 T HN 0.282 nan 8.240 nan 0.000 0.466 470 T N 1.717 116.040 114.554 -0.384 0.000 2.652 470 T HA -0.068 4.283 4.350 0.001 0.000 0.267 470 T C 2.055 176.336 174.700 -0.699 0.000 1.039 470 T CA 1.594 63.389 62.100 -0.507 0.000 1.153 470 T CB -0.731 67.896 68.868 -0.403 0.000 0.863 470 T HN 0.280 nan 8.240 nan 0.000 0.428 471 V N 2.109 121.714 119.914 -0.514 0.000 2.490 471 V HA -0.109 4.012 4.120 0.001 0.000 0.250 471 V C 2.562 178.588 176.094 -0.114 0.000 1.061 471 V CA 1.612 63.643 62.300 -0.449 0.000 1.064 471 V CB -0.734 31.066 31.823 -0.038 0.000 0.670 471 V HN 0.582 nan 8.190 nan 0.000 0.461 472 V N -2.187 117.714 119.914 -0.022 0.000 3.630 472 V HA -0.020 4.101 4.120 0.001 0.000 0.273 472 V C 1.769 177.986 176.094 0.204 0.000 1.248 472 V CA 0.931 63.304 62.300 0.122 0.000 1.170 472 V CB -0.748 31.123 31.823 0.080 0.000 0.899 472 V HN 0.555 nan 8.190 nan 0.000 0.457 473 Q N -0.358 119.504 119.800 0.103 0.000 2.224 473 Q HA -0.013 4.327 4.340 0.001 0.000 0.203 473 Q C 0.537 176.705 176.000 0.279 0.000 0.970 473 Q CA 0.871 56.806 55.803 0.221 0.000 0.865 473 Q CB -0.077 28.704 28.738 0.072 0.000 0.922 473 Q HN 0.789 nan 8.270 nan 0.000 0.445 474 Y N 3.436 123.887 120.300 0.252 0.000 2.569 474 Y HA 0.028 4.578 4.550 0.001 0.000 0.332 474 Y C -1.902 174.100 175.900 0.169 0.000 1.120 474 Y CA -2.519 55.725 58.100 0.241 0.000 1.416 474 Y CB 0.784 39.410 38.460 0.277 0.000 1.210 474 Y HN 0.013 nan 8.280 nan 0.000 0.528 475 P HA -0.016 nan 4.420 nan 0.000 0.241 475 P C -1.136 176.080 177.300 -0.139 0.000 1.760 475 P CA 0.419 63.376 63.100 -0.240 0.000 1.081 475 P CB -0.154 31.378 31.700 -0.281 0.000 1.975 476 N N 2.641 121.407 118.700 0.110 0.000 2.430 476 N HA 0.111 4.852 4.740 0.001 0.000 0.290 476 N C 0.455 176.070 175.510 0.176 0.000 1.063 476 N CA -0.412 52.753 53.050 0.190 0.000 0.883 476 N CB 1.162 39.851 38.487 0.337 0.000 1.465 476 N HN -0.168 nan 8.380 nan 0.000 0.493 477 N N 2.192 120.984 118.700 0.153 0.000 2.244 477 N HA -0.102 4.638 4.740 0.001 0.000 0.183 477 N C 0.510 176.092 175.510 0.121 0.000 1.016 477 N CA 0.937 54.088 53.050 0.168 0.000 0.866 477 N CB 0.168 38.762 38.487 0.178 0.000 0.980 477 N HN 0.613 nan 8.380 nan 0.000 0.430 478 D N 0.729 121.194 120.400 0.109 0.000 2.144 478 D HA -0.070 4.571 4.640 0.001 0.000 0.200 478 D C 2.063 178.427 176.300 0.106 0.000 0.978 478 D CA 0.256 54.308 54.000 0.088 0.000 0.833 478 D CB -0.076 40.766 40.800 0.071 0.000 0.961 478 D HN 0.210 nan 8.370 nan 0.000 0.470 479 L N 0.326 121.637 121.223 0.146 0.000 2.005 479 L HA -0.103 4.238 4.340 0.001 0.000 0.207 479 L C 2.277 179.265 176.870 0.196 0.000 1.072 479 L CA 0.952 55.923 54.840 0.219 0.000 0.744 479 L CB -0.139 42.064 42.059 0.240 0.000 0.895 479 L HN -0.075 nan 8.230 nan 0.000 0.433 480 I N -0.373 120.265 120.570 0.113 0.000 2.163 480 I HA -0.349 3.822 4.170 0.001 0.000 0.243 480 I C 2.763 178.819 176.117 -0.101 0.000 1.085 480 I CA 1.409 62.702 61.300 -0.011 0.000 1.347 480 I CB -0.406 37.551 38.000 -0.073 0.000 1.044 480 I HN 0.227 nan 8.210 nan 0.000 0.408 481 R N 0.439 120.906 120.500 -0.056 0.000 2.091 481 R HA -0.206 4.135 4.340 0.001 0.000 0.238 481 R C 2.369 178.621 176.300 -0.081 0.000 1.136 481 R CA 1.743 57.809 56.100 -0.057 0.000 0.959 481 R CB -0.374 29.929 30.300 0.005 0.000 0.856 481 R HN 0.435 nan 8.270 nan 0.000 0.437 482 A N -0.177 122.616 122.820 -0.045 0.000 1.897 482 A HA -0.014 4.307 4.320 0.001 0.000 0.215 482 A C 2.282 179.632 177.584 -0.390 0.000 1.181 482 A CA 1.506 53.513 52.037 -0.049 0.000 0.620 482 A CB -0.795 18.323 19.000 0.196 0.000 0.821 482 A HN 0.489 nan 8.150 nan 0.000 0.443 483 G N -0.941 107.410 108.800 -0.749 0.000 2.402 483 G HA2 -0.224 3.737 3.960 0.001 0.000 0.216 483 G HA3 -0.224 3.737 3.960 0.001 0.000 0.216 483 G C 1.560 176.082 174.900 -0.630 0.000 1.162 483 G CA 1.297 45.596 45.100 -1.336 0.000 0.777 483 G HN 0.500 nan 8.290 nan 0.000 0.539 484 C N 0.104 119.174 119.300 -0.382 0.000 2.440 484 C HA 0.077 4.538 4.460 0.001 0.000 0.278 484 C C 2.734 177.599 174.990 -0.209 0.000 1.295 484 C CA 1.078 59.931 59.018 -0.274 0.000 1.738 484 C CB -0.541 27.071 27.740 -0.214 0.000 1.987 484 C HN 0.589 nan 8.230 nan 0.000 0.492 485 K N 0.621 120.915 120.400 -0.177 0.000 2.063 485 K HA -0.203 4.118 4.320 0.001 0.000 0.208 485 K C 1.934 178.462 176.600 -0.119 0.000 1.048 485 K CA 1.481 57.705 56.287 -0.104 0.000 0.928 485 K CB -0.339 32.120 32.500 -0.067 0.000 0.713 485 K HN 0.378 nan 8.250 nan 0.000 0.442 486 L N 1.339 122.445 121.223 -0.197 0.000 2.156 486 L HA -0.045 4.296 4.340 0.001 0.000 0.208 486 L C 1.885 178.691 176.870 -0.106 0.000 1.095 486 L CA 1.205 55.940 54.840 -0.174 0.000 0.770 486 L CB -0.158 41.756 42.059 -0.243 0.000 0.914 486 L HN 0.220 nan 8.230 nan 0.000 0.439 487 L N -1.299 119.837 121.223 -0.144 0.000 2.017 487 L HA -0.220 4.121 4.340 0.001 0.000 0.208 487 L C 2.465 179.417 176.870 0.137 0.000 1.073 487 L CA 1.151 55.949 54.840 -0.070 0.000 0.745 487 L CB -0.759 41.077 42.059 -0.372 0.000 0.894 487 L HN 0.340 nan 8.230 nan 0.000 0.432 488 L N -0.114 121.136 121.223 0.045 0.000 2.081 488 L HA -0.282 4.058 4.340 0.001 0.000 0.212 488 L C 2.537 179.431 176.870 0.040 0.000 1.080 488 L CA 1.829 56.700 54.840 0.052 0.000 0.754 488 L CB -0.667 41.349 42.059 -0.071 0.000 0.893 488 L HN 0.309 nan 8.230 nan 0.000 0.433 489 Q N -0.938 118.870 119.800 0.013 0.000 2.119 489 Q HA -0.128 4.213 4.340 0.001 0.000 0.201 489 Q C 1.843 177.858 176.000 0.025 0.000 0.972 489 Q CA 2.006 57.810 55.803 0.002 0.000 0.847 489 Q CB 0.004 28.722 28.738 -0.032 0.000 0.903 489 Q HN 0.600 nan 8.270 nan 0.000 0.433 490 V N -1.667 118.290 119.914 0.072 0.000 3.649 490 V HA 0.075 4.195 4.120 0.001 0.000 0.275 490 V C 1.789 177.955 176.094 0.120 0.000 1.281 490 V CA 0.803 63.172 62.300 0.116 0.000 1.143 490 V CB -0.129 31.829 31.823 0.225 0.000 0.892 490 V HN 0.338 nan 8.190 nan 0.000 0.441 491 S N 2.167 117.928 115.700 0.102 0.000 2.442 491 S HA -0.186 4.285 4.470 0.001 0.000 0.236 491 S C 1.112 175.638 174.600 -0.123 0.000 1.007 491 S CA 1.287 59.474 58.200 -0.022 0.000 0.965 491 S CB -0.671 62.494 63.200 -0.057 0.000 0.773 491 S HN 0.870 nan 8.310 nan 0.000 0.504 492 D N 1.145 121.513 120.400 -0.053 0.000 2.755 492 D HA 0.550 5.191 4.640 0.001 0.000 0.257 492 D C 0.100 176.393 176.300 -0.012 0.000 1.291 492 D CA -0.432 53.538 54.000 -0.050 0.000 0.836 492 D CB 0.024 40.797 40.800 -0.045 0.000 1.059 492 D HN 0.429 nan 8.370 nan 0.000 0.486 493 A N 0.623 123.448 122.820 0.008 0.000 2.462 493 A HA 0.183 4.504 4.320 0.001 0.000 0.243 493 A C 1.224 178.817 177.584 0.016 0.000 1.076 493 A CA -0.373 51.681 52.037 0.028 0.000 0.773 493 A CB 0.541 19.578 19.000 0.062 0.000 1.010 493 A HN 0.216 nan 8.150 nan 0.000 0.493 494 K N 1.948 122.360 120.400 0.019 0.000 2.365 494 K HA -0.031 4.289 4.320 0.001 0.000 0.199 494 K C 1.824 178.441 176.600 0.028 0.000 1.045 494 K CA 1.079 57.376 56.287 0.015 0.000 0.962 494 K CB -0.029 32.475 32.500 0.007 0.000 0.759 494 K HN 0.772 nan 8.250 nan 0.000 0.469 495 A N 0.907 123.749 122.820 0.037 0.000 2.119 495 A HA -0.040 4.281 4.320 0.001 0.000 0.217 495 A C 1.794 179.403 177.584 0.043 0.000 1.153 495 A CA 0.751 52.813 52.037 0.041 0.000 0.692 495 A CB -0.386 18.641 19.000 0.045 0.000 0.799 495 A HN 0.180 nan 8.150 nan 0.000 0.458 496 L N -0.925 120.320 121.223 0.036 0.000 2.549 496 L HA -0.132 4.209 4.340 0.001 0.000 0.229 496 L C 2.674 179.573 176.870 0.047 0.000 1.158 496 L CA 0.623 55.484 54.840 0.034 0.000 0.842 496 L CB -0.220 41.837 42.059 -0.003 0.000 0.952 496 L HN 0.438 nan 8.230 nan 0.000 0.452 497 A N -0.447 122.414 122.820 0.067 0.000 2.067 497 A HA -0.091 4.230 4.320 0.001 0.000 0.217 497 A C 2.146 179.852 177.584 0.202 0.000 1.156 497 A CA 1.019 53.147 52.037 0.152 0.000 0.683 497 A CB -0.039 19.038 19.000 0.129 0.000 0.808 497 A HN 0.249 nan 8.150 nan 0.000 0.455 498 K N -0.516 119.947 120.400 0.105 0.000 2.354 498 K HA 0.121 4.441 4.320 0.001 0.000 0.194 498 K C -0.009 176.626 176.600 0.059 0.000 1.045 498 K CA 0.314 56.640 56.287 0.064 0.000 1.026 498 K CB 0.400 32.919 32.500 0.033 0.000 0.866 498 K HN 0.274 nan 8.250 nan 0.000 0.530 499 T N 3.795 118.391 114.554 0.069 0.000 2.888 499 T HA 0.105 4.456 4.350 0.001 0.000 0.301 499 T C -2.539 172.207 174.700 0.075 0.000 1.001 499 T CA -1.099 61.033 62.100 0.052 0.000 1.147 499 T CB 0.622 69.519 68.868 0.050 0.000 0.931 499 T HN -0.101 nan 8.240 nan 0.000 0.541 500 P HA 0.166 nan 4.420 nan 0.000 0.264 500 P C 0.021 177.359 177.300 0.063 0.000 1.236 500 P CA 0.160 63.290 63.100 0.050 0.000 0.811 500 P CB 0.155 31.866 31.700 0.018 0.000 0.840 501 L N 2.367 123.646 121.223 0.093 0.000 2.808 501 L HA 0.135 4.476 4.340 0.001 0.000 0.246 501 L C 1.475 178.399 176.870 0.090 0.000 1.153 501 L CA 0.186 55.084 54.840 0.098 0.000 0.956 501 L CB -0.010 42.114 42.059 0.109 0.000 1.270 501 L HN 0.186 nan 8.230 nan 0.000 0.528 502 E N 0.465 120.711 120.200 0.077 0.000 2.265 502 E HA -0.139 4.212 4.350 0.001 0.000 0.196 502 E C 1.602 178.239 176.600 0.062 0.000 0.996 502 E CA 0.977 57.416 56.400 0.066 0.000 0.832 502 E CB 0.067 29.799 29.700 0.052 0.000 0.756 502 E HN 0.414 nan 8.360 nan 0.000 0.491 503 N N -0.776 117.957 118.700 0.056 0.000 2.510 503 N HA 0.131 4.872 4.740 0.001 0.000 0.186 503 N C 1.730 177.289 175.510 0.082 0.000 1.051 503 N CA 0.227 53.310 53.050 0.055 0.000 0.877 503 N CB 0.342 38.840 38.487 0.018 0.000 1.183 503 N HN 0.126 nan 8.380 nan 0.000 0.443 504 I N 1.199 121.811 120.570 0.071 0.000 2.142 504 I HA -0.238 3.933 4.170 0.001 0.000 0.240 504 I C 2.243 178.460 176.117 0.166 0.000 1.078 504 I CA 0.890 62.243 61.300 0.089 0.000 1.343 504 I CB -0.043 37.996 38.000 0.065 0.000 1.046 504 I HN 0.039 nan 8.210 nan 0.000 0.405 505 L N 1.484 122.802 121.223 0.159 0.000 2.017 505 L HA -0.076 4.264 4.340 0.001 0.000 0.208 505 L C -0.501 176.456 176.870 0.145 0.000 1.073 505 L CA 2.334 57.280 54.840 0.176 0.000 0.745 505 L CB -1.869 40.286 42.059 0.159 0.000 0.894 505 L HN 0.051 nan 8.230 nan 0.000 0.432 506 P HA -0.209 nan 4.420 nan 0.000 0.218 506 P C 1.670 179.039 177.300 0.115 0.000 1.148 506 P CA 1.348 64.511 63.100 0.106 0.000 0.822 506 P CB -0.197 31.560 31.700 0.095 0.000 0.784 507 F N 0.272 120.230 119.950 0.015 0.000 2.113 507 F HA -0.115 4.412 4.527 0.001 0.000 0.297 507 F C 1.909 177.702 175.800 -0.011 0.000 1.103 507 F CA 1.395 59.393 58.000 -0.003 0.000 1.248 507 F CB -0.898 38.088 39.000 -0.024 0.000 0.999 507 F HN -0.282 nan 8.300 nan 0.000 0.475 508 L N -0.000 121.231 121.223 0.014 0.000 2.083 508 L HA -0.236 4.105 4.340 0.001 0.000 0.209 508 L C 2.489 179.292 176.870 -0.113 0.000 1.083 508 L CA 1.091 55.861 54.840 -0.117 0.000 0.752 508 L CB -0.854 41.192 42.059 -0.023 0.000 0.899 508 L HN 0.267 nan 8.230 nan 0.000 0.433 509 L N -0.604 120.606 121.223 -0.022 0.000 2.017 509 L HA -0.225 4.116 4.340 0.001 0.000 0.208 509 L C 2.875 179.720 176.870 -0.042 0.000 1.073 509 L CA 1.270 56.115 54.840 0.008 0.000 0.745 509 L CB -0.480 41.617 42.059 0.063 0.000 0.894 509 L HN 0.211 nan 8.230 nan 0.000 0.432 510 R N -0.011 120.433 120.500 -0.094 0.000 2.083 510 R HA -0.226 4.114 4.340 0.001 0.000 0.237 510 R C 2.330 178.524 176.300 -0.176 0.000 1.137 510 R CA 1.638 57.667 56.100 -0.117 0.000 0.951 510 R CB -0.336 29.882 30.300 -0.138 0.000 0.851 510 R HN 0.172 nan 8.270 nan 0.000 0.434 511 L N 1.017 122.036 121.223 -0.339 0.000 2.012 511 L HA -0.162 4.179 4.340 0.001 0.000 0.210 511 L C 2.003 178.803 176.870 -0.117 0.000 1.073 511 L CA 1.717 56.374 54.840 -0.306 0.000 0.748 511 L CB -0.300 41.459 42.059 -0.500 0.000 0.891 511 L HN 0.228 nan 8.230 nan 0.000 0.431 512 I N -0.598 119.915 120.570 -0.095 0.000 2.264 512 I HA -0.301 3.869 4.170 0.001 0.000 0.248 512 I C 2.526 178.651 176.117 0.012 0.000 1.111 512 I CA 1.630 62.919 61.300 -0.018 0.000 1.382 512 I CB -0.394 37.606 38.000 0.001 0.000 1.060 512 I HN 0.455 nan 8.210 nan 0.000 0.418 513 E N 1.474 121.674 120.200 -0.001 0.000 2.077 513 E HA -0.226 4.125 4.350 0.001 0.000 0.193 513 E C 2.172 178.776 176.600 0.006 0.000 0.989 513 E CA 1.647 58.055 56.400 0.014 0.000 0.800 513 E CB 0.031 29.747 29.700 0.026 0.000 0.746 513 E HN 0.694 nan 8.360 nan 0.000 0.452 514 I N -2.493 118.079 120.570 0.002 0.000 3.708 514 I HA 0.155 4.326 4.170 0.001 0.000 0.302 514 I C 0.750 176.868 176.117 0.001 0.000 1.255 514 I CA -0.267 61.030 61.300 -0.005 0.000 1.362 514 I CB -0.133 37.857 38.000 -0.016 0.000 1.100 514 I HN -0.086 nan 8.210 nan 0.000 0.434 515 H N 4.827 123.869 119.070 -0.046 0.000 2.975 515 H HA 0.170 4.727 4.556 0.001 0.000 0.303 515 H C -1.372 173.948 175.328 -0.014 0.000 1.023 515 H CA -0.988 55.041 56.048 -0.032 0.000 1.473 515 H CB 0.892 30.633 29.762 -0.035 0.000 1.498 515 H HN 0.105 nan 8.280 nan 0.000 0.549 516 P HA -0.106 nan 4.420 nan 0.000 0.221 516 P C -0.127 177.171 177.300 -0.003 0.000 1.150 516 P CA 0.860 63.876 63.100 -0.140 0.000 0.800 516 P CB 0.320 31.903 31.700 -0.194 0.000 0.787 517 D N 0.166 120.640 120.400 0.123 0.000 2.193 517 D HA 0.031 4.672 4.640 0.001 0.000 0.244 517 D C 0.044 176.460 176.300 0.193 0.000 1.064 517 D CA -0.406 53.695 54.000 0.168 0.000 0.845 517 D CB 1.435 42.327 40.800 0.153 0.000 1.148 517 D HN -0.272 nan 8.370 nan 0.000 0.464 518 D N 1.945 122.437 120.400 0.153 0.000 2.263 518 D HA -0.142 4.499 4.640 0.001 0.000 0.208 518 D C 1.425 177.813 176.300 0.146 0.000 0.971 518 D CA 0.774 54.870 54.000 0.161 0.000 0.867 518 D CB 0.329 41.206 40.800 0.127 0.000 0.929 518 D HN 0.506 nan 8.370 nan 0.000 0.492 519 E N 0.261 120.533 120.200 0.121 0.000 2.077 519 E HA -0.090 4.261 4.350 0.001 0.000 0.193 519 E C 2.344 179.028 176.600 0.139 0.000 0.989 519 E CA 0.286 56.764 56.400 0.131 0.000 0.800 519 E CB -0.145 29.605 29.700 0.082 0.000 0.746 519 E HN 0.168 nan 8.360 nan 0.000 0.452 520 V N 1.781 121.739 119.914 0.074 0.000 2.283 520 V HA -0.227 3.894 4.120 0.001 0.000 0.243 520 V C 2.383 178.483 176.094 0.011 0.000 1.039 520 V CA 1.126 63.408 62.300 -0.030 0.000 1.016 520 V CB -0.398 31.302 31.823 -0.206 0.000 0.650 520 V HN 0.194 nan 8.190 nan 0.000 0.449 521 I N -0.108 120.514 120.570 0.087 0.000 2.151 521 I HA -0.310 3.861 4.170 0.001 0.000 0.243 521 I C 2.431 178.609 176.117 0.102 0.000 1.080 521 I CA 2.222 63.585 61.300 0.105 0.000 1.339 521 I CB -1.509 36.598 38.000 0.179 0.000 1.039 521 I HN 0.448 nan 8.210 nan 0.000 0.409 522 Y N 2.371 122.681 120.300 0.018 0.000 2.030 522 Y HA -0.295 4.255 4.550 0.001 0.000 0.274 522 Y C 2.902 178.802 175.900 -0.000 0.000 1.153 522 Y CA 2.221 60.319 58.100 -0.004 0.000 1.115 522 Y CB -0.711 37.737 38.460 -0.020 0.000 0.969 522 Y HN 0.083 nan 8.280 nan 0.000 0.488 523 S N 0.238 115.792 115.700 -0.243 0.000 2.383 523 S HA -0.170 4.301 4.470 0.001 0.000 0.229 523 S C 2.192 176.684 174.600 -0.181 0.000 1.030 523 S CA 1.205 59.221 58.200 -0.307 0.000 1.002 523 S CB -1.178 61.948 63.200 -0.124 0.000 0.829 523 S HN 0.758 nan 8.310 nan 0.000 0.467 524 G N 1.702 110.440 108.800 -0.103 0.000 2.404 524 G HA2 -0.197 3.763 3.960 0.001 0.000 0.215 524 G HA3 -0.197 3.763 3.960 0.001 0.000 0.215 524 G C 1.671 176.584 174.900 0.023 0.000 1.174 524 G CA 1.547 46.626 45.100 -0.035 0.000 0.780 524 G HN 0.624 nan 8.290 nan 0.000 0.537 525 T N -0.825 113.715 114.554 -0.024 0.000 2.821 525 T HA 0.060 4.410 4.350 0.001 0.000 0.267 525 T C 2.451 177.105 174.700 -0.076 0.000 1.046 525 T CA 1.580 63.667 62.100 -0.021 0.000 1.139 525 T CB -0.666 68.198 68.868 -0.008 0.000 0.871 525 T HN 0.247 nan 8.240 nan 0.000 0.454 526 G N 0.599 109.293 108.800 -0.176 0.000 2.446 526 G HA2 -0.154 3.807 3.960 0.001 0.000 0.217 526 G HA3 -0.154 3.807 3.960 0.001 0.000 0.217 526 G C 1.271 176.104 174.900 -0.111 0.000 1.168 526 G CA 0.749 45.710 45.100 -0.231 0.000 0.771 526 G HN 0.515 nan 8.290 nan 0.000 0.551 527 F N 0.766 120.609 119.950 -0.178 0.000 2.146 527 F HA 0.024 4.552 4.527 0.001 0.000 0.298 527 F C 2.277 178.024 175.800 -0.089 0.000 1.096 527 F CA 1.236 59.165 58.000 -0.118 0.000 1.275 527 F CB -0.237 38.704 39.000 -0.099 0.000 1.008 527 F HN 0.109 nan 8.300 nan 0.000 0.480 528 L N 0.552 121.780 121.223 0.008 0.000 2.012 528 L HA -0.210 4.130 4.340 0.001 0.000 0.210 528 L C 2.558 179.313 176.870 -0.191 0.000 1.073 528 L CA 2.376 57.180 54.840 -0.061 0.000 0.748 528 L CB -1.191 40.898 42.059 0.051 0.000 0.891 528 L HN 0.292 nan 8.230 nan 0.000 0.431 529 S N -0.457 115.128 115.700 -0.191 0.000 2.368 529 S HA -0.147 4.323 4.470 0.001 0.000 0.225 529 S C 1.783 176.233 174.600 -0.250 0.000 1.030 529 S CA 1.303 59.364 58.200 -0.232 0.000 0.999 529 S CB -0.835 62.247 63.200 -0.196 0.000 0.844 529 S HN 0.535 nan 8.310 nan 0.000 0.459 530 N N 1.204 119.752 118.700 -0.254 0.000 2.216 530 N HA 0.027 4.768 4.740 0.001 0.000 0.183 530 N C 1.863 177.201 175.510 -0.286 0.000 1.017 530 N CA 0.961 53.868 53.050 -0.238 0.000 0.861 530 N CB -0.730 37.635 38.487 -0.203 0.000 0.986 530 N HN 0.303 nan 8.380 nan 0.000 0.428 531 V N 1.776 121.425 119.914 -0.441 0.000 2.307 531 V HA -0.148 3.973 4.120 0.001 0.000 0.245 531 V C 2.336 178.274 176.094 -0.260 0.000 1.045 531 V CA 1.549 63.585 62.300 -0.441 0.000 1.024 531 V CB -0.317 31.060 31.823 -0.744 0.000 0.651 531 V HN 0.229 nan 8.190 nan 0.000 0.449 532 V N -0.279 119.500 119.914 -0.225 0.000 2.809 532 V HA 0.267 4.388 4.120 0.001 0.000 0.256 532 V C 1.377 177.363 176.094 -0.181 0.000 1.080 532 V CA 0.634 62.847 62.300 -0.146 0.000 1.102 532 V CB -1.615 30.173 31.823 -0.059 0.000 0.705 532 V HN 0.512 nan 8.190 nan 0.000 0.475 533 A N 0.542 123.221 122.820 -0.236 0.000 2.548 533 A HA 0.299 4.619 4.320 0.001 0.000 0.247 533 A C 0.786 178.230 177.584 -0.233 0.000 1.067 533 A CA 0.901 52.732 52.037 -0.342 0.000 0.757 533 A CB -1.145 17.644 19.000 -0.352 0.000 0.996 533 A HN 1.060 nan 8.150 nan 0.000 0.504 534 H N -0.301 118.710 119.070 -0.098 0.000 3.211 534 H HA -0.146 4.410 4.556 0.001 0.000 0.240 534 H C -0.322 174.966 175.328 -0.067 0.000 1.148 534 H CA 1.667 57.671 56.048 -0.074 0.000 1.160 534 H CB -1.528 28.197 29.762 -0.062 0.000 1.232 534 H HN 0.724 nan 8.280 nan 0.000 0.321 535 K N 0.898 121.286 120.400 -0.021 0.000 2.575 535 K HA 0.146 4.467 4.320 0.001 0.000 0.236 535 K C 0.668 177.201 176.600 -0.111 0.000 0.976 535 K CA -0.434 55.809 56.287 -0.074 0.000 0.985 535 K CB 1.763 34.159 32.500 -0.172 0.000 1.198 535 K HN -0.023 nan 8.250 nan 0.000 0.464 536 Q N 2.167 121.953 119.800 -0.025 0.000 2.077 536 Q HA -0.236 4.105 4.340 0.001 0.000 0.206 536 Q C 2.000 177.997 176.000 -0.004 0.000 0.989 536 Q CA 2.126 57.925 55.803 -0.007 0.000 0.853 536 Q CB -0.062 28.698 28.738 0.037 0.000 0.907 536 Q HN 0.746 nan 8.270 nan 0.000 0.418 537 H N -1.766 117.308 119.070 0.006 0.000 2.457 537 H HA 0.001 4.558 4.556 0.001 0.000 0.294 537 H C 1.749 177.085 175.328 0.013 0.000 1.064 537 H CA 1.439 57.492 56.048 0.008 0.000 1.330 537 H CB -0.325 29.442 29.762 0.009 0.000 1.395 537 H HN 0.197 nan 8.280 nan 0.000 0.541 538 V N 1.510 121.132 119.914 -0.487 0.000 2.407 538 V HA -0.167 3.954 4.120 0.001 0.000 0.245 538 V C 2.609 178.657 176.094 -0.077 0.000 1.041 538 V CA 1.644 63.783 62.300 -0.268 0.000 1.040 538 V CB -0.440 31.192 31.823 -0.317 0.000 0.671 538 V HN 0.258 nan 8.190 nan 0.000 0.455 539 K N 0.162 120.534 120.400 -0.046 0.000 2.044 539 K HA -0.227 4.094 4.320 0.001 0.000 0.210 539 K C 1.941 178.486 176.600 -0.091 0.000 1.049 539 K CA 1.961 58.277 56.287 0.049 0.000 0.927 539 K CB -0.321 32.212 32.500 0.054 0.000 0.713 539 K HN 0.456 nan 8.250 nan 0.000 0.443 540 D N 0.711 121.078 120.400 -0.056 0.000 2.117 540 D HA -0.136 4.504 4.640 0.001 0.000 0.197 540 D C 1.954 178.235 176.300 -0.031 0.000 0.987 540 D CA 1.103 55.080 54.000 -0.038 0.000 0.829 540 D CB -0.185 40.627 40.800 0.020 0.000 0.961 540 D HN 0.181 nan 8.370 nan 0.000 0.460 541 I N 1.500 122.069 120.570 -0.001 0.000 2.142 541 I HA -0.282 3.889 4.170 0.001 0.000 0.240 541 I C 2.617 178.738 176.117 0.007 0.000 1.078 541 I CA 1.225 62.536 61.300 0.019 0.000 1.343 541 I CB -0.315 37.714 38.000 0.048 0.000 1.046 541 I HN -0.087 nan 8.210 nan 0.000 0.405 542 A N 0.965 123.790 122.820 0.009 0.000 1.873 542 A HA -0.248 4.073 4.320 0.001 0.000 0.218 542 A C 2.323 179.865 177.584 -0.070 0.000 1.193 542 A CA 1.974 54.033 52.037 0.035 0.000 0.629 542 A CB -1.070 18.032 19.000 0.171 0.000 0.826 542 A HN 0.402 nan 8.150 nan 0.000 0.447 543 I N -1.015 119.401 120.570 -0.257 0.000 2.208 543 I HA -0.276 3.894 4.170 0.001 0.000 0.245 543 I C 2.752 178.816 176.117 -0.088 0.000 1.097 543 I CA 1.485 62.622 61.300 -0.272 0.000 1.363 543 I CB -0.239 37.571 38.000 -0.317 0.000 1.051 543 I HN 0.274 nan 8.210 nan 0.000 0.413 544 R N -0.044 120.424 120.500 -0.053 0.000 2.189 544 R HA -0.047 4.294 4.340 0.001 0.000 0.223 544 R C 1.712 178.010 176.300 -0.004 0.000 1.092 544 R CA 1.215 57.302 56.100 -0.021 0.000 0.989 544 R CB -0.161 30.134 30.300 -0.009 0.000 0.876 544 R HN 0.293 nan 8.270 nan 0.000 0.457 545 S N 1.007 116.714 115.700 0.012 0.000 2.660 545 S HA 0.099 4.569 4.470 0.001 0.000 0.227 545 S C -0.027 174.604 174.600 0.051 0.000 0.948 545 S CA -0.223 57.997 58.200 0.032 0.000 0.948 545 S CB 0.090 63.321 63.200 0.051 0.000 0.779 545 S HN 0.334 nan 8.310 nan 0.000 0.487 546 N N 0.478 119.205 118.700 0.046 0.000 2.776 546 N HA -0.200 4.540 4.740 0.001 0.000 0.249 546 N C 0.926 176.543 175.510 0.179 0.000 1.111 546 N CA 0.704 53.811 53.050 0.095 0.000 0.711 546 N CB -1.501 37.026 38.487 0.067 0.000 1.065 546 N HN 0.531 nan 8.380 nan 0.000 0.556 547 A N 0.575 123.488 122.820 0.154 0.000 1.917 547 A HA -0.148 4.173 4.320 0.001 0.000 0.219 547 A C 2.258 180.038 177.584 0.326 0.000 1.182 547 A CA 1.711 53.891 52.037 0.238 0.000 0.633 547 A CB -0.355 18.821 19.000 0.294 0.000 0.819 547 A HN 0.471 nan 8.150 nan 0.000 0.448 548 I N -2.232 118.540 120.570 0.336 0.000 2.252 548 I HA -0.213 3.958 4.170 0.001 0.000 0.245 548 I C 2.347 178.726 176.117 0.436 0.000 1.102 548 I CA 1.546 63.108 61.300 0.435 0.000 1.385 548 I CB -0.417 37.828 38.000 0.409 0.000 1.064 548 I HN 0.421 nan 8.210 nan 0.000 0.414 549 F N 1.446 121.517 119.950 0.202 0.000 2.171 549 F HA -0.236 4.292 4.527 0.001 0.000 0.300 549 F C 2.176 178.066 175.800 0.150 0.000 1.090 549 F CA 1.418 59.496 58.000 0.130 0.000 1.293 549 F CB -0.097 38.935 39.000 0.054 0.000 1.013 549 F HN -0.043 nan 8.300 nan 0.000 0.486 550 L N 0.126 121.481 121.223 0.220 0.000 2.109 550 L HA -0.109 4.231 4.340 0.001 0.000 0.207 550 L C 2.018 178.934 176.870 0.077 0.000 1.086 550 L CA 1.614 56.522 54.840 0.113 0.000 0.760 550 L CB -0.748 41.409 42.059 0.164 0.000 0.910 550 L HN 0.192 nan 8.230 nan 0.000 0.437 551 L N -0.983 120.351 121.223 0.185 0.000 2.042 551 L HA -0.263 4.078 4.340 0.001 0.000 0.210 551 L C 2.711 179.691 176.870 0.182 0.000 1.076 551 L CA 1.615 56.587 54.840 0.220 0.000 0.749 551 L CB -1.173 41.082 42.059 0.326 0.000 0.893 551 L HN 0.483 nan 8.230 nan 0.000 0.432 552 H N 0.340 119.410 119.070 -0.000 0.000 2.321 552 H HA -0.152 4.405 4.556 0.001 0.000 0.300 552 H C 2.069 177.196 175.328 -0.334 0.000 1.087 552 H CA 2.105 57.923 56.048 -0.383 0.000 1.319 552 H CB 0.175 29.541 29.762 -0.660 0.000 1.379 552 H HN 0.246 nan 8.280 nan 0.000 0.501 553 T N 1.143 115.546 114.554 -0.252 0.000 2.788 553 T HA -0.086 4.265 4.350 0.001 0.000 0.268 553 T C 2.345 176.924 174.700 -0.201 0.000 1.044 553 T CA 1.404 63.349 62.100 -0.257 0.000 1.139 553 T CB -0.133 68.577 68.868 -0.264 0.000 0.867 553 T HN 0.264 nan 8.240 nan 0.000 0.454 554 I N 0.368 120.870 120.570 -0.114 0.000 2.233 554 I HA -0.063 4.107 4.170 0.001 0.000 0.243 554 I C 2.179 178.303 176.117 0.011 0.000 1.093 554 I CA 1.071 62.344 61.300 -0.044 0.000 1.380 554 I CB -0.338 37.702 38.000 0.066 0.000 1.067 554 I HN 0.179 nan 8.210 nan 0.000 0.413 555 I N 0.090 120.658 120.570 -0.003 0.000 2.163 555 I HA -0.314 3.857 4.170 0.001 0.000 0.243 555 I C 2.514 178.584 176.117 -0.078 0.000 1.085 555 I CA 1.405 62.711 61.300 0.009 0.000 1.347 555 I CB -0.389 37.585 38.000 -0.043 0.000 1.044 555 I HN 0.118 nan 8.210 nan 0.000 0.408 556 S N 0.534 116.081 115.700 -0.254 0.000 2.447 556 S HA -0.153 4.318 4.470 0.001 0.000 0.233 556 S C 1.827 176.306 174.600 -0.202 0.000 1.006 556 S CA 1.193 59.231 58.200 -0.270 0.000 0.957 556 S CB -0.229 62.740 63.200 -0.384 0.000 0.773 556 S HN 0.522 nan 8.310 nan 0.000 0.507 557 K N -0.201 120.037 120.400 -0.270 0.000 2.305 557 K HA 0.013 4.334 4.320 0.001 0.000 0.199 557 K C -0.344 176.043 176.600 -0.356 0.000 1.047 557 K CA 0.456 56.532 56.287 -0.352 0.000 0.976 557 K CB -0.170 32.044 32.500 -0.477 0.000 0.765 557 K HN 0.243 nan 8.250 nan 0.000 0.474 558 Y N 2.995 123.257 120.300 -0.064 0.000 2.301 558 Y HA 0.270 4.821 4.550 0.001 0.000 0.325 558 Y C -1.800 174.070 175.900 -0.051 0.000 1.203 558 Y CA -2.911 55.159 58.100 -0.050 0.000 1.255 558 Y CB 0.346 38.780 38.460 -0.045 0.000 1.232 558 Y HN 0.072 nan 8.280 nan 0.000 0.501 559 P HA 0.204 nan 4.420 nan 0.000 0.277 559 P C -0.751 176.575 177.300 0.043 0.000 1.276 559 P CA -0.612 62.520 63.100 0.054 0.000 0.788 559 P CB 0.862 32.587 31.700 0.042 0.000 1.114 560 R N -0.063 120.446 120.500 0.015 0.000 2.643 560 R HA 0.131 4.472 4.340 0.001 0.000 0.270 560 R C 1.716 178.013 176.300 -0.006 0.000 1.061 560 R CA -0.371 55.729 56.100 0.000 0.000 1.107 560 R CB -0.029 30.268 30.300 -0.004 0.000 0.999 560 R HN 0.437 nan 8.270 nan 0.000 0.460 561 L N 1.629 122.838 121.223 -0.024 0.000 2.079 561 L HA -0.255 4.085 4.340 0.001 0.000 0.210 561 L C 1.792 178.646 176.870 -0.026 0.000 1.081 561 L CA 1.640 56.458 54.840 -0.037 0.000 0.752 561 L CB -0.591 41.432 42.059 -0.060 0.000 0.896 561 L HN 0.743 nan 8.230 nan 0.000 0.433 562 D N -0.372 120.016 120.400 -0.020 0.000 2.218 562 D HA -0.226 4.414 4.640 0.001 0.000 0.204 562 D C 1.601 177.899 176.300 -0.004 0.000 0.976 562 D CA 1.010 55.003 54.000 -0.011 0.000 0.853 562 D CB -0.402 40.395 40.800 -0.005 0.000 0.939 562 D HN 0.367 nan 8.370 nan 0.000 0.481 563 E N -0.491 119.708 120.200 -0.001 0.000 2.478 563 E HA 0.058 4.409 4.350 0.001 0.000 0.198 563 E C 0.087 176.689 176.600 0.003 0.000 1.046 563 E CA 0.081 56.483 56.400 0.003 0.000 0.870 563 E CB 0.043 29.747 29.700 0.007 0.000 0.818 563 E HN 0.387 nan 8.360 nan 0.000 0.527 564 L N 1.182 122.403 121.223 -0.003 0.000 2.262 564 L HA 0.143 4.484 4.340 0.001 0.000 0.288 564 L C 1.318 178.183 176.870 -0.009 0.000 1.035 564 L CA -0.338 54.499 54.840 -0.005 0.000 0.820 564 L CB 1.400 43.450 42.059 -0.015 0.000 1.204 564 L HN 0.022 nan 8.230 nan 0.000 0.424 565 T N -2.548 112.003 114.554 -0.005 0.000 3.044 565 T HA -0.011 4.340 4.350 0.001 0.000 0.255 565 T C 0.440 175.136 174.700 -0.007 0.000 1.073 565 T CA 0.021 62.119 62.100 -0.004 0.000 1.125 565 T CB -0.279 68.589 68.868 -0.000 0.000 0.908 565 T HN 0.600 nan 8.240 nan 0.000 0.480 566 D N 1.147 121.541 120.400 -0.010 0.000 2.280 566 D HA 0.600 5.240 4.640 0.001 0.000 0.243 566 D C 1.387 177.674 176.300 -0.022 0.000 1.129 566 D CA -0.264 53.728 54.000 -0.013 0.000 0.848 566 D CB 1.389 42.182 40.800 -0.011 0.000 1.107 566 D HN 0.107 nan 8.370 nan 0.000 0.471 567 A N 4.366 127.174 122.820 -0.021 0.000 1.903 567 A HA -0.122 4.199 4.320 0.001 0.000 0.219 567 A C -0.284 177.275 177.584 -0.042 0.000 1.191 567 A CA 1.309 53.330 52.037 -0.027 0.000 0.638 567 A CB -1.667 17.322 19.000 -0.019 0.000 0.823 567 A HN 0.649 nan 8.150 nan 0.000 0.451 568 P HA -0.187 nan 4.420 nan 0.000 0.216 568 P C 1.509 178.763 177.300 -0.077 0.000 1.153 568 P CA 1.962 65.026 63.100 -0.059 0.000 0.858 568 P CB -0.018 31.654 31.700 -0.046 0.000 0.789 569 K N -0.157 120.206 120.400 -0.061 0.000 2.228 569 K HA -0.057 4.263 4.320 0.001 0.000 0.202 569 K C 2.226 178.771 176.600 -0.091 0.000 1.051 569 K CA 1.006 57.253 56.287 -0.068 0.000 0.960 569 K CB -0.386 32.092 32.500 -0.035 0.000 0.743 569 K HN -0.183 nan 8.250 nan 0.000 0.458 570 R N 0.085 120.539 120.500 -0.078 0.000 2.073 570 R HA -0.041 4.300 4.340 0.001 0.000 0.229 570 R C 1.820 178.053 176.300 -0.110 0.000 1.120 570 R CA 1.616 57.665 56.100 -0.086 0.000 0.967 570 R CB -0.329 29.937 30.300 -0.057 0.000 0.862 570 R HN 0.249 nan 8.270 nan 0.000 0.436 571 N N 0.141 118.778 118.700 -0.104 0.000 2.244 571 N HA -0.143 4.597 4.740 0.001 0.000 0.183 571 N C 1.690 177.103 175.510 -0.162 0.000 1.016 571 N CA 0.955 53.936 53.050 -0.114 0.000 0.866 571 N CB 0.068 38.495 38.487 -0.100 0.000 0.980 571 N HN 0.026 nan 8.380 nan 0.000 0.430 572 R N -0.026 120.359 120.500 -0.193 0.000 2.057 572 R HA 0.092 4.433 4.340 0.001 0.000 0.229 572 R C 1.988 178.142 176.300 -0.244 0.000 1.136 572 R CA 0.871 56.823 56.100 -0.247 0.000 0.952 572 R CB -0.947 29.220 30.300 -0.222 0.000 0.848 572 R HN 0.054 nan 8.270 nan 0.000 0.430 573 V N 0.037 119.764 119.914 -0.313 0.000 2.282 573 V HA -0.375 3.745 4.120 0.001 0.000 0.249 573 V C 2.584 178.487 176.094 -0.319 0.000 1.057 573 V CA 2.064 64.055 62.300 -0.514 0.000 1.032 573 V CB -0.737 30.777 31.823 -0.515 0.000 0.645 573 V HN 0.598 nan 8.190 nan 0.000 0.447 574 C N 0.365 119.544 119.300 -0.202 0.000 2.413 574 C HA -0.210 4.251 4.460 0.001 0.000 0.277 574 C C 2.696 177.630 174.990 -0.094 0.000 1.228 574 C CA 1.845 60.784 59.018 -0.132 0.000 1.731 574 C CB -1.098 26.579 27.740 -0.106 0.000 2.042 574 C HN 0.677 nan 8.230 nan 0.000 0.468 575 E N 0.088 120.241 120.200 -0.079 0.000 2.153 575 E HA -0.154 4.197 4.350 0.001 0.000 0.194 575 E C 1.998 178.638 176.600 0.066 0.000 0.988 575 E CA 1.500 57.906 56.400 0.009 0.000 0.811 575 E CB -0.144 29.567 29.700 0.018 0.000 0.746 575 E HN 0.729 nan 8.360 nan 0.000 0.466 576 I N 0.843 121.420 120.570 0.012 0.000 2.133 576 I HA -0.287 3.884 4.170 0.001 0.000 0.238 576 I C 2.331 178.450 176.117 0.004 0.000 1.074 576 I CA 1.113 62.431 61.300 0.030 0.000 1.342 576 I CB -0.275 37.695 38.000 -0.050 0.000 1.053 576 I HN 0.094 nan 8.210 nan 0.000 0.404 577 I N 0.153 120.698 120.570 -0.042 0.000 2.194 577 I HA -0.420 3.751 4.170 0.001 0.000 0.246 577 I C 2.875 178.976 176.117 -0.027 0.000 1.093 577 I CA 1.302 62.592 61.300 -0.017 0.000 1.355 577 I CB -0.596 37.382 38.000 -0.036 0.000 1.046 577 I HN 0.478 nan 8.210 nan 0.000 0.413 578 C N 1.369 120.648 119.300 -0.035 0.000 2.413 578 C HA -0.181 4.279 4.460 0.001 0.000 0.276 578 C C 2.790 177.749 174.990 -0.050 0.000 1.236 578 C CA 1.517 60.510 59.018 -0.042 0.000 1.735 578 C CB -1.360 26.362 27.740 -0.029 0.000 2.031 578 C HN 0.527 nan 8.230 nan 0.000 0.474 579 N N 0.115 118.796 118.700 -0.031 0.000 2.120 579 N HA -0.114 4.626 4.740 0.001 0.000 0.188 579 N C 1.718 177.181 175.510 -0.078 0.000 1.024 579 N CA 1.831 54.846 53.050 -0.058 0.000 0.852 579 N CB -0.898 37.560 38.487 -0.048 0.000 1.003 579 N HN 0.567 nan 8.380 nan 0.000 0.424 580 C N 0.774 120.051 119.300 -0.039 0.000 2.429 580 C HA 0.002 4.463 4.460 0.001 0.000 0.277 580 C C 2.812 177.751 174.990 -0.085 0.000 1.262 580 C CA 0.278 59.281 59.018 -0.026 0.000 1.733 580 C CB -1.169 26.596 27.740 0.041 0.000 2.010 580 C HN 0.418 nan 8.230 nan 0.000 0.483 581 L N -0.167 120.999 121.223 -0.095 0.000 2.109 581 L HA -0.100 4.241 4.340 0.001 0.000 0.207 581 L C 2.857 179.604 176.870 -0.204 0.000 1.086 581 L CA 1.285 56.032 54.840 -0.154 0.000 0.760 581 L CB -0.609 41.370 42.059 -0.133 0.000 0.910 581 L HN 0.335 nan 8.230 nan 0.000 0.437 582 R N -0.809 119.583 120.500 -0.181 0.000 2.115 582 R HA -0.107 4.234 4.340 0.001 0.000 0.230 582 R C 2.207 178.328 176.300 -0.297 0.000 1.111 582 R CA 1.667 57.643 56.100 -0.207 0.000 0.976 582 R CB -0.260 29.941 30.300 -0.164 0.000 0.870 582 R HN 0.354 nan 8.270 nan 0.000 0.445 583 T N 1.501 115.855 114.554 -0.334 0.000 2.732 583 T HA -0.104 4.246 4.350 0.001 0.000 0.261 583 T C 1.686 175.919 174.700 -0.779 0.000 1.040 583 T CA 0.767 62.544 62.100 -0.538 0.000 1.145 583 T CB -0.264 68.360 68.868 -0.407 0.000 0.866 583 T HN 0.070 nan 8.240 nan 0.000 0.427 584 L N 2.573 123.496 121.223 -0.500 0.000 1.997 584 L HA -0.194 4.147 4.340 0.001 0.000 0.216 584 L C 1.819 178.473 176.870 -0.361 0.000 1.074 584 L CA 1.888 56.484 54.840 -0.406 0.000 0.763 584 L CB -0.995 40.803 42.059 -0.435 0.000 0.890 584 L HN 0.141 nan 8.230 nan 0.000 0.434 585 N N 0.003 118.507 118.700 -0.328 0.000 2.289 585 N HA -0.154 4.586 4.740 0.001 0.000 0.184 585 N C 1.526 176.877 175.510 -0.266 0.000 1.016 585 N CA 1.175 54.075 53.050 -0.250 0.000 0.872 585 N CB -0.664 37.697 38.487 -0.210 0.000 0.973 585 N HN 0.497 nan 8.380 nan 0.000 0.433 586 N N 0.216 118.686 118.700 -0.384 0.000 2.270 586 N HA -0.028 4.712 4.740 0.001 0.000 0.181 586 N C 1.230 176.580 175.510 -0.267 0.000 1.016 586 N CA 0.598 53.425 53.050 -0.372 0.000 0.870 586 N CB -0.196 38.017 38.487 -0.456 0.000 0.979 586 N HN 0.179 nan 8.380 nan 0.000 0.431 587 F N 1.240 121.035 119.950 -0.258 0.000 2.149 587 F HA 0.125 4.653 4.527 0.001 0.000 0.294 587 F C 2.285 177.730 175.800 -0.592 0.000 1.095 587 F CA 0.181 57.944 58.000 -0.394 0.000 1.276 587 F CB -1.177 37.705 39.000 -0.196 0.000 1.023 587 F HN -0.089 nan 8.300 nan 0.000 0.480 588 L N -0.851 120.323 121.223 -0.082 0.000 2.127 588 L HA -0.257 4.083 4.340 0.001 0.000 0.211 588 L C 2.446 179.258 176.870 -0.098 0.000 1.089 588 L CA 1.034 55.887 54.840 0.022 0.000 0.757 588 L CB -0.692 41.392 42.059 0.041 0.000 0.899 588 L HN 0.145 nan 8.230 nan 0.000 0.434 589 M N 0.108 119.607 119.600 -0.167 0.000 2.195 589 M HA -0.250 4.231 4.480 0.001 0.000 0.260 589 M C 2.245 178.437 176.300 -0.180 0.000 1.066 589 M CA 1.795 57.008 55.300 -0.145 0.000 1.089 589 M CB -0.197 32.311 32.600 -0.153 0.000 1.377 589 M HN 0.337 nan 8.290 nan 0.000 0.411 590 M N -2.817 116.555 119.600 -0.379 0.000 2.419 590 M HA -0.096 4.385 4.480 0.001 0.000 0.264 590 M C 0.600 176.742 176.300 -0.265 0.000 1.082 590 M CA 1.088 56.138 55.300 -0.417 0.000 1.119 590 M CB -0.459 31.785 32.600 -0.592 0.000 1.398 590 M HN 0.256 nan 8.290 nan 0.000 0.453 591 W N 1.743 123.096 121.300 0.089 0.000 3.239 591 W HA 0.467 5.128 4.660 0.001 0.000 0.368 591 W C -0.150 176.412 176.519 0.072 0.000 1.154 591 W CA -0.928 56.486 57.345 0.116 0.000 1.860 591 W CB -0.308 29.292 29.460 0.234 0.000 1.094 591 W HN 0.110 nan 8.180 nan 0.000 0.643 592 I N 3.804 124.479 120.570 0.175 0.000 2.336 592 I HA 0.172 4.342 4.170 0.001 0.000 0.292 592 I C -1.483 174.683 176.117 0.083 0.000 0.991 592 I CA -1.787 59.577 61.300 0.106 0.000 1.227 592 I CB 1.292 39.325 38.000 0.056 0.000 1.366 592 I HN -0.403 nan 8.210 nan 0.000 0.466 593 P HA 0.253 nan 4.420 nan 0.000 0.271 593 P C -0.382 176.945 177.300 0.046 0.000 1.216 593 P CA -0.058 63.081 63.100 0.065 0.000 0.771 593 P CB 0.655 32.393 31.700 0.063 0.000 0.864 594 T N 1.865 116.443 114.554 0.040 0.000 2.919 594 T HA 0.536 4.887 4.350 0.001 0.000 0.282 594 T C -0.960 173.756 174.700 0.027 0.000 1.020 594 T CA -1.432 60.686 62.100 0.030 0.000 0.994 594 T CB -0.112 68.770 68.868 0.024 0.000 1.180 594 T HN 0.138 nan 8.240 nan 0.000 0.566 595 P HA -0.051 nan 4.420 nan 0.000 0.214 595 P C 1.582 178.894 177.300 0.020 0.000 1.162 595 P CA 1.734 64.846 63.100 0.019 0.000 0.879 595 P CB -0.632 31.077 31.700 0.015 0.000 0.786 596 N N 0.178 118.889 118.700 0.018 0.000 2.348 596 N HA 0.048 4.789 4.740 0.001 0.000 0.185 596 N C 1.198 176.722 175.510 0.022 0.000 1.019 596 N CA 1.557 54.618 53.050 0.018 0.000 0.880 596 N CB -0.928 37.568 38.487 0.016 0.000 0.965 596 N HN 0.615 nan 8.380 nan 0.000 0.437 600 K N 2.388 122.885 120.400 0.161 0.000 2.172 600 K HA 0.681 5.001 4.320 0.001 0.000 0.276 600 K C 0.383 177.175 176.600 0.320 0.000 1.013 600 K CA -0.486 55.926 56.287 0.209 0.000 0.913 600 K CB 0.806 33.422 32.500 0.194 0.000 1.055 600 K HN 0.750 nan 8.250 nan 0.000 0.461 601 T N -0.241 114.448 114.554 0.224 0.000 2.925 601 T HA 0.686 5.036 4.350 0.001 0.000 0.285 601 T C -0.407 174.299 174.700 0.011 0.000 1.021 601 T CA -1.077 61.092 62.100 0.116 0.000 1.042 601 T CB 1.737 70.625 68.868 0.033 0.000 1.037 601 T HN 0.488 nan 8.240 nan 0.000 0.481 602 A N 1.646 124.283 122.820 -0.305 0.000 2.288 602 A HA 0.787 5.108 4.320 0.001 0.000 0.320 602 A C 0.777 178.084 177.584 -0.461 0.000 1.217 602 A CA -0.544 51.117 52.037 -0.626 0.000 0.840 602 A CB 0.315 18.453 19.000 -1.435 0.000 1.179 602 A HN 1.277 nan 8.150 nan 0.000 0.504 603 G N 2.003 110.616 108.800 -0.312 0.000 2.636 603 G HA2 0.419 4.380 3.960 0.001 0.000 0.246 603 G HA3 0.419 4.380 3.960 0.001 0.000 0.246 603 G C -1.094 173.618 174.900 -0.312 0.000 1.216 603 G CA -0.809 44.147 45.100 -0.240 0.000 0.854 603 G HN 0.491 nan 8.290 nan 0.000 0.572 604 P HA -0.134 nan 4.420 nan 0.000 0.218 604 P C 1.300 178.482 177.300 -0.197 0.000 1.149 604 P CA 0.857 63.824 63.100 -0.223 0.000 0.817 604 P CB 0.272 31.882 31.700 -0.149 0.000 0.785 605 N N 0.631 119.235 118.700 -0.160 0.000 2.043 605 N HA -0.187 4.554 4.740 0.001 0.000 0.193 605 N C 1.659 177.090 175.510 -0.130 0.000 1.037 605 N CA 1.705 54.682 53.050 -0.123 0.000 0.851 605 N CB -0.487 37.944 38.487 -0.094 0.000 1.027 605 N HN 0.046 nan 8.380 nan 0.000 0.422 606 E N 0.422 120.507 120.200 -0.192 0.000 2.031 606 E HA -0.122 4.229 4.350 0.001 0.000 0.193 606 E C 1.966 178.382 176.600 -0.307 0.000 0.994 606 E CA 1.208 57.471 56.400 -0.229 0.000 0.800 606 E CB -0.089 29.375 29.700 -0.393 0.000 0.752 606 E HN 0.339 nan 8.360 nan 0.000 0.447 607 K N 0.267 120.340 120.400 -0.545 0.000 2.020 607 K HA -0.288 4.033 4.320 0.001 0.000 0.212 607 K C 2.342 178.855 176.600 -0.145 0.000 1.050 607 K CA 1.947 57.851 56.287 -0.639 0.000 0.929 607 K CB -0.212 31.837 32.500 -0.751 0.000 0.714 607 K HN 0.165 nan 8.250 nan 0.000 0.443 608 Q N 0.833 120.567 119.800 -0.109 0.000 2.230 608 Q HA -0.144 4.197 4.340 0.001 0.000 0.202 608 Q C 1.711 177.745 176.000 0.057 0.000 0.963 608 Q CA 1.436 57.230 55.803 -0.015 0.000 0.866 608 Q CB -0.079 28.634 28.738 -0.041 0.000 0.931 608 Q HN 0.323 nan 8.270 nan 0.000 0.452 609 Q N 0.090 119.940 119.800 0.084 0.000 2.049 609 Q HA -0.041 4.300 4.340 0.001 0.000 0.198 609 Q C 2.250 178.433 176.000 0.307 0.000 0.971 609 Q CA 1.547 57.464 55.803 0.190 0.000 0.833 609 Q CB 0.007 28.875 28.738 0.216 0.000 0.896 609 Q HN 0.306 nan 8.270 nan 0.000 0.434 610 V N 0.458 120.569 119.914 0.328 0.000 2.324 610 V HA -0.339 3.781 4.120 0.001 0.000 0.250 610 V C 2.191 178.540 176.094 0.424 0.000 1.060 610 V CA 1.571 64.130 62.300 0.432 0.000 1.042 610 V CB -0.555 31.540 31.823 0.453 0.000 0.650 610 V HN 0.523 nan 8.190 nan 0.000 0.450 611 C N -0.286 119.199 119.300 0.309 0.000 2.449 611 C HA -0.065 4.396 4.460 0.001 0.000 0.283 611 C C 2.513 177.598 174.990 0.157 0.000 1.453 611 C CA 0.359 59.513 59.018 0.226 0.000 1.779 611 C CB -1.356 26.492 27.740 0.180 0.000 1.779 611 C HN 0.552 nan 8.230 nan 0.000 0.546 612 K N 0.330 120.793 120.400 0.105 0.000 2.280 612 K HA -0.072 4.249 4.320 0.001 0.000 0.202 612 K C 1.134 177.702 176.600 -0.053 0.000 1.047 612 K CA 1.201 57.416 56.287 -0.121 0.000 0.942 612 K CB -0.238 31.968 32.500 -0.490 0.000 0.739 612 K HN 0.491 nan 8.250 nan 0.000 0.457 613 F N 0.625 120.650 119.950 0.125 0.000 2.802 613 F HA -0.010 4.518 4.527 0.001 0.000 0.300 613 F C 1.427 177.294 175.800 0.112 0.000 1.168 613 F CA 0.306 58.392 58.000 0.143 0.000 1.433 613 F CB -0.031 39.028 39.000 0.098 0.000 1.115 613 F HN 0.030 nan 8.300 nan 0.000 0.582 614 I N -3.222 117.482 120.570 0.223 0.000 3.976 614 I HA 0.218 4.389 4.170 0.001 0.000 0.337 614 I C 0.199 176.380 176.117 0.107 0.000 1.359 614 I CA -0.562 60.838 61.300 0.166 0.000 1.098 614 I CB -0.900 37.186 38.000 0.144 0.000 1.027 614 I HN -0.173 nan 8.210 nan 0.000 0.394 615 E N 1.661 121.912 120.200 0.085 0.000 2.415 615 E HA 0.097 4.448 4.350 0.001 0.000 0.262 615 E C 1.500 178.134 176.600 0.057 0.000 1.038 615 E CA 0.397 56.830 56.400 0.055 0.000 0.921 615 E CB 1.168 30.891 29.700 0.039 0.000 0.950 615 E HN 0.589 nan 8.360 nan 0.000 0.438 616 I N -0.109 120.483 120.570 0.037 0.000 2.454 616 I HA -0.205 3.966 4.170 0.001 0.000 0.254 616 I C 1.637 177.763 176.117 0.016 0.000 1.156 616 I CA 1.493 62.809 61.300 0.027 0.000 1.433 616 I CB -0.061 37.948 38.000 0.015 0.000 1.082 616 I HN 0.466 nan 8.210 nan 0.000 0.432 617 D N 1.327 121.734 120.400 0.011 0.000 2.117 617 D HA -0.196 4.444 4.640 0.001 0.000 0.198 617 D C 2.122 178.404 176.300 -0.030 0.000 0.982 617 D CA 1.561 55.555 54.000 -0.010 0.000 0.828 617 D CB -0.095 40.697 40.800 -0.013 0.000 0.967 617 D HN 0.534 nan 8.370 nan 0.000 0.464 618 I N -0.267 120.282 120.570 -0.034 0.000 2.439 618 I HA -0.124 4.047 4.170 0.001 0.000 0.251 618 I C 1.943 178.066 176.117 0.010 0.000 1.139 618 I CA 0.503 61.756 61.300 -0.078 0.000 1.438 618 I CB 0.080 37.953 38.000 -0.213 0.000 1.085 618 I HN 0.092 nan 8.210 nan 0.000 0.427 619 L N 0.632 121.894 121.223 0.066 0.000 2.046 619 L HA -0.258 4.083 4.340 0.001 0.000 0.208 619 L C 2.526 179.422 176.870 0.043 0.000 1.077 619 L CA 1.553 56.470 54.840 0.129 0.000 0.747 619 L CB -0.514 41.621 42.059 0.127 0.000 0.896 619 L HN 0.154 nan 8.230 nan 0.000 0.432 620 K N -0.050 120.342 120.400 -0.012 0.000 2.026 620 K HA -0.205 4.116 4.320 0.001 0.000 0.208 620 K C 2.166 178.724 176.600 -0.070 0.000 1.048 620 K CA 1.452 57.701 56.287 -0.063 0.000 0.929 620 K CB -0.065 32.410 32.500 -0.042 0.000 0.713 620 K HN 0.214 nan 8.250 nan 0.000 0.439 621 K N 0.745 121.119 120.400 -0.043 0.000 2.032 621 K HA -0.130 4.191 4.320 0.001 0.000 0.209 621 K C 2.113 178.694 176.600 -0.031 0.000 1.048 621 K CA 1.319 57.581 56.287 -0.042 0.000 0.927 621 K CB -0.164 32.305 32.500 -0.051 0.000 0.712 621 K HN 0.097 nan 8.250 nan 0.000 0.441 622 L N 0.229 121.454 121.223 0.003 0.000 2.093 622 L HA -0.139 4.202 4.340 0.001 0.000 0.208 622 L C 2.535 179.443 176.870 0.064 0.000 1.085 622 L CA 0.944 55.810 54.840 0.044 0.000 0.755 622 L CB -0.287 41.815 42.059 0.071 0.000 0.904 622 L HN 0.239 nan 8.230 nan 0.000 0.435 623 M N -0.897 118.690 119.600 -0.022 0.000 2.117 623 M HA -0.217 4.264 4.480 0.001 0.000 0.262 623 M C 2.645 178.773 176.300 -0.286 0.000 1.065 623 M CA 1.720 56.852 55.300 -0.280 0.000 1.114 623 M CB -0.221 31.995 32.600 -0.641 0.000 1.361 623 M HN 0.202 nan 8.290 nan 0.000 0.408 624 S N -0.355 115.237 115.700 -0.179 0.000 2.359 624 S HA -0.198 4.273 4.470 0.001 0.000 0.224 624 S C 1.897 176.482 174.600 -0.024 0.000 1.035 624 S CA 1.634 59.800 58.200 -0.056 0.000 1.018 624 S CB -0.447 62.728 63.200 -0.040 0.000 0.876 624 S HN 0.642 nan 8.310 nan 0.000 0.448 625 C N 1.289 120.565 119.300 -0.041 0.000 2.419 625 C HA 0.043 4.504 4.460 0.001 0.000 0.281 625 C C 2.379 177.316 174.990 -0.088 0.000 1.336 625 C CA 0.249 59.228 59.018 -0.065 0.000 1.770 625 C CB -1.547 26.158 27.740 -0.058 0.000 1.929 625 C HN 0.491 nan 8.230 nan 0.000 0.509 626 L N 1.564 122.772 121.223 -0.026 0.000 2.201 626 L HA -0.045 4.296 4.340 0.001 0.000 0.212 626 L C 2.396 179.242 176.870 -0.041 0.000 1.105 626 L CA 2.331 57.165 54.840 -0.010 0.000 0.775 626 L CB -0.690 41.426 42.059 0.094 0.000 0.913 626 L HN 0.539 nan 8.230 nan 0.000 0.440 627 S N -3.225 112.488 115.700 0.022 0.000 2.787 627 S HA 0.050 4.521 4.470 0.001 0.000 0.255 627 S C 0.743 175.329 174.600 -0.022 0.000 1.051 627 S CA -0.343 57.870 58.200 0.022 0.000 1.124 627 S CB -1.055 62.231 63.200 0.144 0.000 1.104 627 S HN 0.331 nan 8.310 nan 0.000 0.623 628 C N 2.013 121.285 119.300 -0.046 0.000 2.590 628 C HA 0.417 4.878 4.460 0.001 0.000 0.411 628 C C 1.218 176.171 174.990 -0.061 0.000 1.420 628 C CA -0.236 58.758 59.018 -0.041 0.000 1.643 628 C CB -0.979 26.733 27.740 -0.046 0.000 2.528 628 C HN 0.638 nan 8.230 nan 0.000 0.606 629 E N 1.445 121.638 120.200 -0.013 0.000 2.359 629 E HA 0.198 4.548 4.350 0.001 0.000 0.187 629 E C 1.036 177.649 176.600 0.022 0.000 1.081 629 E CA -0.166 56.244 56.400 0.016 0.000 0.929 629 E CB -0.171 29.550 29.700 0.036 0.000 1.086 629 E HN 1.002 nan 8.360 nan 0.000 0.462 630 G N 0.063 108.861 108.800 -0.003 0.000 2.428 630 G HA2 0.455 4.416 3.960 0.001 0.000 0.320 630 G HA3 0.455 4.416 3.960 0.001 0.000 0.320 630 G C 0.100 174.997 174.900 -0.005 0.000 1.098 630 G CA -0.003 45.100 45.100 0.005 0.000 0.984 630 G HN 0.175 nan 8.290 nan 0.000 0.444 631 M N 1.844 121.478 119.600 0.055 0.000 1.849 631 M HA 0.628 5.108 4.480 0.001 0.000 0.165 631 M C 1.987 178.330 176.300 0.071 0.000 1.445 631 M CA 1.814 57.176 55.300 0.102 0.000 1.213 631 M CB -1.312 31.467 32.600 0.299 0.000 0.818 631 M HN 1.803 nan 8.290 nan 0.000 0.502 632 D N 0.305 120.759 120.400 0.091 0.000 2.737 632 D HA 0.056 4.697 4.640 0.001 0.000 0.233 632 D C 0.168 176.487 176.300 0.032 0.000 1.155 632 D CA 1.190 55.221 54.000 0.052 0.000 0.667 632 D CB -2.608 38.211 40.800 0.033 0.000 1.060 632 D HN 1.243 nan 8.370 nan 0.000 0.427 633 T N -0.776 113.806 114.554 0.045 0.000 3.170 633 T HA 0.550 4.901 4.350 0.001 0.000 0.315 633 T C -1.768 172.953 174.700 0.036 0.000 0.967 633 T CA -0.107 62.002 62.100 0.016 0.000 1.024 633 T CB 2.373 71.234 68.868 -0.013 0.000 1.018 633 T HN 0.096 nan 8.240 nan 0.000 0.449 634 P HA -0.040 nan 4.420 nan 0.000 0.218 634 P C 1.598 178.914 177.300 0.026 0.000 1.148 634 P CA 0.876 63.991 63.100 0.025 0.000 0.822 634 P CB -0.008 31.693 31.700 0.001 0.000 0.784 635 G N -0.314 108.486 108.800 0.000 0.000 2.744 635 G HA2 -0.130 3.831 3.960 0.001 0.000 0.211 635 G HA3 -0.130 3.831 3.960 0.001 0.000 0.211 635 G C 1.404 176.302 174.900 -0.002 0.000 1.143 635 G CA -0.043 45.053 45.100 -0.006 0.000 0.788 635 G HN 0.182 nan 8.290 nan 0.000 0.534 636 L N 0.259 121.486 121.223 0.007 0.000 2.046 636 L HA 0.022 4.363 4.340 0.001 0.000 0.208 636 L C 2.522 179.388 176.870 -0.006 0.000 1.077 636 L CA 1.319 56.135 54.840 -0.039 0.000 0.747 636 L CB -0.394 41.622 42.059 -0.072 0.000 0.896 636 L HN 0.220 nan 8.230 nan 0.000 0.432 637 L N -0.574 120.740 121.223 0.151 0.000 2.012 637 L HA -0.206 4.135 4.340 0.001 0.000 0.210 637 L C 2.403 179.326 176.870 0.089 0.000 1.073 637 L CA 1.839 56.813 54.840 0.224 0.000 0.748 637 L CB -0.764 41.433 42.059 0.230 0.000 0.891 637 L HN 0.352 nan 8.230 nan 0.000 0.431 638 E N -0.776 119.449 120.200 0.043 0.000 2.150 638 E HA -0.199 4.151 4.350 0.001 0.000 0.193 638 E C 2.121 178.715 176.600 -0.010 0.000 0.985 638 E CA 1.199 57.606 56.400 0.010 0.000 0.814 638 E CB -0.211 29.489 29.700 0.001 0.000 0.752 638 E HN 0.426 nan 8.360 nan 0.000 0.466 639 L N 1.433 122.642 121.223 -0.023 0.000 2.046 639 L HA -0.166 4.175 4.340 0.001 0.000 0.208 639 L C 2.210 179.054 176.870 -0.044 0.000 1.077 639 L CA 1.709 56.522 54.840 -0.046 0.000 0.747 639 L CB -0.213 41.807 42.059 -0.065 0.000 0.896 639 L HN -0.093 nan 8.230 nan 0.000 0.432 640 R N -1.182 119.290 120.500 -0.047 0.000 2.066 640 R HA -0.124 4.217 4.340 0.001 0.000 0.232 640 R C 2.531 178.845 176.300 0.024 0.000 1.131 640 R CA 1.378 57.461 56.100 -0.029 0.000 0.955 640 R CB -0.700 29.550 30.300 -0.083 0.000 0.851 640 R HN 0.459 nan 8.270 nan 0.000 0.432 641 S N -0.150 115.569 115.700 0.031 0.000 2.370 641 S HA -0.158 4.313 4.470 0.001 0.000 0.226 641 S C 1.780 176.384 174.600 0.007 0.000 1.033 641 S CA 1.934 60.152 58.200 0.030 0.000 1.011 641 S CB -0.208 63.003 63.200 0.018 0.000 0.852 641 S HN 0.329 nan 8.310 nan 0.000 0.457 642 T N 2.121 116.663 114.554 -0.019 0.000 2.821 642 T HA 0.099 4.449 4.350 0.001 0.000 0.267 642 T C 1.708 176.368 174.700 -0.067 0.000 1.046 642 T CA 1.299 63.368 62.100 -0.051 0.000 1.139 642 T CB -0.289 68.539 68.868 -0.067 0.000 0.871 642 T HN 0.400 nan 8.240 nan 0.000 0.454 643 I N 0.859 121.399 120.570 -0.050 0.000 2.226 643 I HA -0.132 4.039 4.170 0.001 0.000 0.245 643 I C 2.177 178.302 176.117 0.013 0.000 1.100 643 I CA 1.137 62.389 61.300 -0.081 0.000 1.374 643 I CB -0.395 37.600 38.000 -0.009 0.000 1.057 643 I HN 0.216 nan 8.210 nan 0.000 0.413 644 L N -0.148 121.143 121.223 0.114 0.000 2.017 644 L HA -0.210 4.130 4.340 0.001 0.000 0.208 644 L C 2.784 179.719 176.870 0.108 0.000 1.073 644 L CA 1.118 56.067 54.840 0.182 0.000 0.745 644 L CB -0.779 41.364 42.059 0.140 0.000 0.894 644 L HN 0.210 nan 8.230 nan 0.000 0.432 645 R N 0.163 120.679 120.500 0.027 0.000 2.103 645 R HA -0.150 4.191 4.340 0.001 0.000 0.242 645 R C 2.467 178.742 176.300 -0.041 0.000 1.142 645 R CA 1.816 57.911 56.100 -0.009 0.000 0.960 645 R CB -0.545 29.727 30.300 -0.045 0.000 0.858 645 R HN 0.316 nan 8.270 nan 0.000 0.439 646 S N 0.349 115.979 115.700 -0.116 0.000 2.351 646 S HA -0.131 4.339 4.470 0.001 0.000 0.220 646 S C 1.776 176.284 174.600 -0.154 0.000 1.035 646 S CA 1.438 59.508 58.200 -0.217 0.000 1.031 646 S CB -0.376 62.600 63.200 -0.374 0.000 0.928 646 S HN 0.213 nan 8.310 nan 0.000 0.433 647 F N 1.554 121.492 119.950 -0.021 0.000 2.126 647 F HA -0.088 4.439 4.527 0.001 0.000 0.299 647 F C 2.102 177.896 175.800 -0.010 0.000 1.096 647 F CA 0.511 58.506 58.000 -0.007 0.000 1.255 647 F CB -0.865 38.136 39.000 0.002 0.000 0.997 647 F HN 0.163 nan 8.300 nan 0.000 0.479 648 I N -0.330 120.346 120.570 0.178 0.000 2.091 648 I HA -0.353 3.818 4.170 0.001 0.000 0.239 648 I C 2.389 178.539 176.117 0.055 0.000 1.061 648 I CA 1.488 62.846 61.300 0.098 0.000 1.317 648 I CB -0.630 37.412 38.000 0.069 0.000 1.031 648 I HN 0.094 nan 8.210 nan 0.000 0.401 649 L N -0.093 121.141 121.223 0.019 0.000 2.093 649 L HA -0.213 4.128 4.340 0.001 0.000 0.208 649 L C 2.526 179.389 176.870 -0.012 0.000 1.085 649 L CA 1.195 56.030 54.840 -0.009 0.000 0.755 649 L CB -0.505 41.528 42.059 -0.043 0.000 0.904 649 L HN 0.286 nan 8.230 nan 0.000 0.435 650 L N -0.528 120.690 121.223 -0.009 0.000 2.046 650 L HA -0.222 4.118 4.340 0.001 0.000 0.208 650 L C 2.438 179.304 176.870 -0.008 0.000 1.077 650 L CA 1.196 56.029 54.840 -0.012 0.000 0.747 650 L CB -0.354 41.725 42.059 0.033 0.000 0.896 650 L HN 0.255 nan 8.230 nan 0.000 0.432 651 L N -0.930 120.319 121.223 0.042 0.000 2.217 651 L HA -0.123 4.217 4.340 0.001 0.000 0.211 651 L C 2.389 179.261 176.870 0.004 0.000 1.107 651 L CA 0.772 55.631 54.840 0.032 0.000 0.783 651 L CB -0.288 41.806 42.059 0.058 0.000 0.919 651 L HN 0.155 nan 8.230 nan 0.000 0.442 652 R N -0.880 119.622 120.500 0.003 0.000 2.313 652 R HA 0.041 4.382 4.340 0.001 0.000 0.199 652 R C 0.114 176.399 176.300 -0.026 0.000 0.958 652 R CA 0.146 56.246 56.100 0.000 0.000 1.047 652 R CB 0.168 30.478 30.300 0.016 0.000 0.955 652 R HN 0.084 nan 8.270 nan 0.000 0.481 653 T N 1.852 116.355 114.554 -0.085 0.000 2.728 653 T HA 0.137 4.488 4.350 0.001 0.000 0.296 653 T C -1.931 172.605 174.700 -0.273 0.000 0.940 653 T CA -1.677 60.307 62.100 -0.194 0.000 1.013 653 T CB 1.685 70.353 68.868 -0.333 0.000 0.912 653 T HN -0.035 nan 8.240 nan 0.000 0.484 654 P HA -0.110 nan 4.420 nan 0.000 0.215 654 P C 1.281 178.553 177.300 -0.047 0.000 1.157 654 P CA 1.072 64.144 63.100 -0.046 0.000 0.874 654 P CB -0.094 31.645 31.700 0.065 0.000 0.790 655 F N -2.113 117.838 119.950 0.002 0.000 2.748 655 F HA 0.156 4.683 4.527 0.001 0.000 0.299 655 F C 0.395 176.192 175.800 -0.005 0.000 1.154 655 F CA -0.368 57.619 58.000 -0.022 0.000 1.446 655 F CB -1.531 37.424 39.000 -0.074 0.000 1.112 655 F HN -0.359 nan 8.300 nan 0.000 0.584 656 V N 4.671 124.413 119.914 -0.287 0.000 2.488 656 V HA 0.174 4.295 4.120 0.001 0.000 0.277 656 V C -1.833 174.257 176.094 -0.008 0.000 1.046 656 V CA -1.883 60.351 62.300 -0.109 0.000 0.986 656 V CB 0.464 32.176 31.823 -0.184 0.000 0.989 656 V HN 0.003 nan 8.190 nan 0.000 0.475 657 P HA 0.152 nan 4.420 nan 0.000 0.265 657 P C -0.240 177.081 177.300 0.035 0.000 1.222 657 P CA -0.036 63.090 63.100 0.043 0.000 0.767 657 P CB 0.706 32.438 31.700 0.054 0.000 0.801 658 K N 1.689 122.104 120.400 0.025 0.000 2.358 658 K HA 0.036 4.356 4.320 0.001 0.000 0.197 658 K C 1.045 177.656 176.600 0.019 0.000 1.025 658 K CA 0.190 56.490 56.287 0.022 0.000 1.104 658 K CB 0.204 32.713 32.500 0.014 0.000 0.855 658 K HN 0.262 nan 8.250 nan 0.000 0.531 659 D N 0.368 120.780 120.400 0.020 0.000 2.084 659 D HA -0.122 4.518 4.640 0.001 0.000 0.194 659 D C 1.799 178.106 176.300 0.012 0.000 0.990 659 D CA 1.465 55.474 54.000 0.015 0.000 0.826 659 D CB -0.294 40.516 40.800 0.017 0.000 0.971 659 D HN 0.320 nan 8.370 nan 0.000 0.453 660 G N -0.127 108.683 108.800 0.016 0.000 2.920 660 G HA2 0.016 3.977 3.960 0.001 0.000 0.208 660 G HA3 0.016 3.977 3.960 0.001 0.000 0.208 660 G C 1.609 176.513 174.900 0.005 0.000 1.159 660 G CA 0.110 45.218 45.100 0.012 0.000 0.784 660 G HN 0.168 nan 8.290 nan 0.000 0.535 661 V N 1.012 120.929 119.914 0.005 0.000 2.295 661 V HA -0.104 4.017 4.120 0.001 0.000 0.246 661 V C 2.630 178.694 176.094 -0.049 0.000 1.049 661 V CA 1.195 63.491 62.300 -0.006 0.000 1.024 661 V CB -0.409 31.415 31.823 0.002 0.000 0.648 661 V HN 0.356 nan 8.190 nan 0.000 0.447 662 L N 0.732 121.921 121.223 -0.057 0.000 2.610 662 L HA 0.033 4.374 4.340 0.001 0.000 0.232 662 L C 1.616 178.435 176.870 -0.084 0.000 1.149 662 L CA 0.486 55.273 54.840 -0.089 0.000 0.872 662 L CB -0.493 41.520 42.059 -0.078 0.000 0.992 662 L HN 0.432 nan 8.230 nan 0.000 0.447 663 N N -0.701 117.970 118.700 -0.048 0.000 2.280 663 N HA 0.054 4.795 4.740 0.001 0.000 0.192 663 N C 0.208 175.699 175.510 -0.032 0.000 1.109 663 N CA 0.194 53.224 53.050 -0.034 0.000 0.855 663 N CB 0.790 39.270 38.487 -0.012 0.000 0.974 663 N HN 0.031 nan 8.380 nan 0.000 0.482 664 V N 2.911 122.802 119.914 -0.038 0.000 2.488 664 V HA 0.208 4.329 4.120 0.001 0.000 0.277 664 V C 0.133 176.206 176.094 -0.034 0.000 1.046 664 V CA -0.157 62.126 62.300 -0.029 0.000 0.986 664 V CB 1.265 33.074 31.823 -0.023 0.000 0.989 664 V HN 0.027 nan 8.190 nan 0.000 0.475 665 I N 5.030 125.592 120.570 -0.014 0.000 2.436 665 I HA 0.350 4.521 4.170 0.001 0.000 0.289 665 I C 0.029 176.161 176.117 0.024 0.000 1.010 665 I CA -0.738 60.567 61.300 0.008 0.000 1.098 665 I CB 1.873 39.878 38.000 0.009 0.000 1.266 665 I HN 0.710 nan 8.210 nan 0.000 0.434 666 D N 4.717 125.156 120.400 0.064 0.000 2.339 666 D HA 0.104 4.744 4.640 0.001 0.000 0.245 666 D C 0.729 177.064 176.300 0.058 0.000 1.115 666 D CA -0.092 53.940 54.000 0.054 0.000 0.917 666 D CB 1.519 42.368 40.800 0.081 0.000 1.192 666 D HN 0.658 nan 8.370 nan 0.000 0.428 667 E N 1.611 121.833 120.200 0.037 0.000 2.347 667 E HA -0.190 4.160 4.350 0.001 0.000 0.196 667 E C 1.457 178.080 176.600 0.038 0.000 1.008 667 E CA 0.809 57.228 56.400 0.031 0.000 0.852 667 E CB -0.591 29.121 29.700 0.019 0.000 0.783 667 E HN 0.620 nan 8.360 nan 0.000 0.505 668 N N -0.773 117.959 118.700 0.053 0.000 2.439 668 N HA 0.021 4.761 4.740 0.001 0.000 0.176 668 N C 1.751 177.292 175.510 0.052 0.000 1.029 668 N CA 0.576 53.657 53.050 0.051 0.000 0.886 668 N CB 0.229 38.749 38.487 0.056 0.000 1.057 668 N HN 0.308 nan 8.380 nan 0.000 0.437 669 R N 0.270 120.811 120.500 0.069 0.000 2.404 669 R HA 0.182 4.522 4.340 0.001 0.000 0.237 669 R C -0.244 176.071 176.300 0.025 0.000 0.907 669 R CA -0.079 56.037 56.100 0.026 0.000 1.063 669 R CB 0.640 30.912 30.300 -0.046 0.000 1.134 669 R HN -0.083 nan 8.270 nan 0.000 0.529 670 K N 1.409 121.840 120.400 0.051 0.000 3.150 670 K HA -0.205 4.115 4.320 0.001 0.000 0.267 670 K C -1.046 175.577 176.600 0.039 0.000 1.028 670 K CA 0.871 57.186 56.287 0.046 0.000 0.753 670 K CB -1.144 31.379 32.500 0.040 0.000 1.288 670 K HN 0.318 nan 8.250 nan 0.000 0.473 671 E N -0.061 120.170 120.200 0.053 0.000 2.312 671 E HA 0.291 4.642 4.350 0.001 0.000 0.267 671 E C -0.211 176.428 176.600 0.066 0.000 0.894 671 E CA -1.175 55.227 56.400 0.003 0.000 0.773 671 E CB 1.208 30.811 29.700 -0.162 0.000 1.241 671 E HN 0.334 nan 8.360 nan 0.000 0.432 672 N N 1.741 120.404 118.700 -0.062 0.000 2.448 672 N HA 0.030 4.771 4.740 0.001 0.000 0.274 672 N C 0.819 176.328 175.510 -0.001 0.000 1.239 672 N CA -0.447 52.551 53.050 -0.087 0.000 0.982 672 N CB 0.499 38.821 38.487 -0.275 0.000 1.199 672 N HN 0.451 nan 8.380 nan 0.000 0.576 673 L N 0.141 121.308 121.223 -0.093 0.000 2.051 673 L HA -0.168 4.173 4.340 0.001 0.000 0.214 673 L C 2.061 178.872 176.870 -0.099 0.000 1.076 673 L CA 1.581 56.336 54.840 -0.142 0.000 0.758 673 L CB -0.705 41.173 42.059 -0.303 0.000 0.890 673 L HN 0.592 nan 8.230 nan 0.000 0.433 674 I N -0.865 119.630 120.570 -0.124 0.000 2.179 674 I HA -0.207 3.964 4.170 0.001 0.000 0.242 674 I C 2.587 178.670 176.117 -0.057 0.000 1.088 674 I CA 1.440 62.691 61.300 -0.083 0.000 1.357 674 I CB -2.233 35.736 38.000 -0.052 0.000 1.051 674 I HN 0.388 nan 8.210 nan 0.000 0.409 675 G N 0.668 109.421 108.800 -0.078 0.000 2.418 675 G HA2 -0.231 3.730 3.960 0.001 0.000 0.217 675 G HA3 -0.231 3.730 3.960 0.001 0.000 0.217 675 G C 1.560 176.366 174.900 -0.157 0.000 1.158 675 G CA 0.576 45.603 45.100 -0.122 0.000 0.771 675 G HN 0.443 nan 8.290 nan 0.000 0.545 676 H N 0.199 119.237 119.070 -0.053 0.000 2.389 676 H HA 0.046 4.602 4.556 0.001 0.000 0.299 676 H C 2.696 178.017 175.328 -0.011 0.000 1.081 676 H CA 1.032 57.060 56.048 -0.033 0.000 1.345 676 H CB 0.062 29.797 29.762 -0.046 0.000 1.393 676 H HN 0.336 nan 8.280 nan 0.000 0.520 677 I N 0.150 120.764 120.570 0.074 0.000 2.252 677 I HA -0.269 3.901 4.170 0.001 0.000 0.245 677 I C 2.571 178.741 176.117 0.090 0.000 1.102 677 I CA 0.737 62.074 61.300 0.062 0.000 1.385 677 I CB -0.168 37.833 38.000 0.002 0.000 1.064 677 I HN 0.230 nan 8.210 nan 0.000 0.414 678 C N 0.549 119.872 119.300 0.038 0.000 2.446 678 C HA -0.087 4.373 4.460 0.001 0.000 0.277 678 C C 3.185 178.254 174.990 0.131 0.000 1.275 678 C CA 0.807 59.858 59.018 0.054 0.000 1.727 678 C CB -1.179 26.533 27.740 -0.048 0.000 2.010 678 C HN 0.592 nan 8.230 nan 0.000 0.486 679 A N 0.678 123.540 122.820 0.070 0.000 1.908 679 A HA -0.010 4.311 4.320 0.001 0.000 0.218 679 A C 2.359 180.056 177.584 0.188 0.000 1.181 679 A CA 2.237 54.329 52.037 0.092 0.000 0.627 679 A CB -0.909 18.095 19.000 0.007 0.000 0.818 679 A HN 0.581 nan 8.150 nan 0.000 0.445 680 A N -1.646 121.282 122.820 0.181 0.000 1.898 680 A HA -0.067 4.254 4.320 0.001 0.000 0.216 680 A C 2.133 179.949 177.584 0.386 0.000 1.181 680 A CA 1.616 53.790 52.037 0.229 0.000 0.620 680 A CB -0.824 18.259 19.000 0.138 0.000 0.819 680 A HN 0.711 nan 8.150 nan 0.000 0.442 681 Y N 1.201 121.630 120.300 0.215 0.000 2.070 681 Y HA -0.244 4.306 4.550 0.001 0.000 0.280 681 Y C 2.805 178.916 175.900 0.352 0.000 1.148 681 Y CA 1.999 60.250 58.100 0.251 0.000 1.125 681 Y CB -0.615 37.967 38.460 0.204 0.000 0.975 681 Y HN 0.307 nan 8.280 nan 0.000 0.492 682 S N 0.047 115.992 115.700 0.409 0.000 2.393 682 S HA -0.363 4.107 4.470 0.001 0.000 0.235 682 S C 1.562 176.319 174.600 0.262 0.000 1.061 682 S CA 1.956 60.329 58.200 0.288 0.000 1.129 682 S CB -1.267 62.069 63.200 0.228 0.000 1.011 682 S HN 0.790 nan 8.310 nan 0.000 0.436 683 W N 1.819 123.169 121.300 0.083 0.000 2.318 683 W HA -0.207 4.454 4.660 0.001 0.000 0.313 683 W C 2.210 178.719 176.519 -0.016 0.000 1.221 683 W CA 1.490 58.857 57.345 0.036 0.000 1.266 683 W CB -0.896 28.582 29.460 0.029 0.000 1.150 683 W HN 0.081 nan 8.180 nan 0.000 0.496 684 V N 0.852 120.742 119.914 -0.039 0.000 2.546 684 V HA -0.299 3.822 4.120 0.001 0.000 0.254 684 V C 1.954 177.676 176.094 -0.621 0.000 1.076 684 V CA 2.079 64.094 62.300 -0.475 0.000 1.087 684 V CB -0.746 30.903 31.823 -0.289 0.000 0.674 684 V HN 0.225 nan 8.190 nan 0.000 0.470 685 F N -0.190 119.581 119.950 -0.298 0.000 2.615 685 F HA 0.154 4.681 4.527 0.001 0.000 0.297 685 F C 2.229 177.887 175.800 -0.237 0.000 1.124 685 F CA 0.625 58.472 58.000 -0.255 0.000 1.451 685 F CB -0.101 38.763 39.000 -0.226 0.000 1.103 685 F HN 0.004 nan 8.300 nan 0.000 0.569 686 R N -0.267 120.144 120.500 -0.148 0.000 2.356 686 R HA 0.095 4.436 4.340 0.001 0.000 0.234 686 R C 0.275 176.403 176.300 -0.286 0.000 0.929 686 R CA -0.051 55.951 56.100 -0.164 0.000 1.084 686 R CB 0.064 30.299 30.300 -0.108 0.000 1.105 686 R HN 0.104 nan 8.270 nan 0.000 0.515 687 Q N 0.939 120.486 119.800 -0.421 0.000 2.260 687 Q HA 0.278 4.619 4.340 0.001 0.000 0.242 687 Q C -2.184 173.662 176.000 -0.256 0.000 0.932 687 Q CA -2.176 53.364 55.803 -0.438 0.000 0.891 687 Q CB 0.684 29.040 28.738 -0.637 0.000 1.222 687 Q HN -0.055 nan 8.270 nan 0.000 0.453 688 P HA 0.009 nan 4.420 nan 0.000 0.267 688 P C -0.591 176.633 177.300 -0.127 0.000 1.201 688 P CA 0.127 63.151 63.100 -0.127 0.000 0.775 688 P CB 0.534 32.175 31.700 -0.098 0.000 0.854 689 N N 2.933 121.577 118.700 -0.093 0.000 2.509 689 N HA 0.375 5.115 4.740 0.001 0.000 0.287 689 N C -0.272 175.198 175.510 -0.067 0.000 1.121 689 N CA -0.143 52.857 53.050 -0.084 0.000 0.977 689 N CB 0.608 39.057 38.487 -0.064 0.000 1.167 689 N HN 0.579 nan 8.380 nan 0.000 0.476 690 N N -2.080 116.580 118.700 -0.065 0.000 4.454 690 N HA -0.080 4.660 4.740 0.001 0.000 0.201 690 N C 0.217 175.698 175.510 -0.049 0.000 1.131 690 N CA -0.376 52.644 53.050 -0.050 0.000 0.964 690 N CB 0.223 38.684 38.487 -0.045 0.000 1.579 690 N HN 0.353 nan 8.380 nan 0.000 0.573 691 T N -1.067 113.464 114.554 -0.038 0.000 2.778 691 T HA -0.170 4.181 4.350 0.001 0.000 0.269 691 T C 1.595 176.273 174.700 -0.036 0.000 1.050 691 T CA 1.144 63.223 62.100 -0.035 0.000 1.137 691 T CB -0.068 68.784 68.868 -0.027 0.000 0.860 691 T HN 0.548 nan 8.240 nan 0.000 0.468 692 R N 1.085 121.565 120.500 -0.034 0.000 2.091 692 R HA -0.077 4.263 4.340 0.001 0.000 0.238 692 R C 2.710 178.988 176.300 -0.036 0.000 1.136 692 R CA 1.968 58.050 56.100 -0.030 0.000 0.959 692 R CB -0.577 29.708 30.300 -0.025 0.000 0.856 692 R HN 0.745 nan 8.270 nan 0.000 0.437 693 T N -2.694 111.831 114.554 -0.048 0.000 3.023 693 T HA 0.094 4.444 4.350 0.001 0.000 0.253 693 T C 1.567 176.221 174.700 -0.075 0.000 1.038 693 T CA -0.320 61.746 62.100 -0.056 0.000 0.962 693 T CB 0.486 69.316 68.868 -0.063 0.000 1.018 693 T HN -0.081 nan 8.240 nan 0.000 0.521 694 Q N 1.729 121.484 119.800 -0.076 0.000 2.152 694 Q HA -0.105 4.236 4.340 0.001 0.000 0.206 694 Q C 2.466 178.412 176.000 -0.089 0.000 0.985 694 Q CA 1.752 57.502 55.803 -0.089 0.000 0.863 694 Q CB -0.762 27.933 28.738 -0.071 0.000 0.904 694 Q HN 0.628 nan 8.270 nan 0.000 0.422 695 S N -0.665 114.993 115.700 -0.070 0.000 2.356 695 S HA -0.123 4.347 4.470 0.001 0.000 0.223 695 S C 1.868 176.424 174.600 -0.073 0.000 1.032 695 S CA 1.809 59.969 58.200 -0.067 0.000 1.005 695 S CB -0.087 63.084 63.200 -0.050 0.000 0.867 695 S HN 0.458 nan 8.310 nan 0.000 0.449 696 T N 1.644 116.161 114.554 -0.062 0.000 2.904 696 T HA 0.053 4.404 4.350 0.001 0.000 0.267 696 T C 1.769 176.429 174.700 -0.066 0.000 1.059 696 T CA 1.021 63.091 62.100 -0.051 0.000 1.137 696 T CB -0.151 68.701 68.868 -0.026 0.000 0.879 696 T HN 0.421 nan 8.240 nan 0.000 0.467 697 K N 0.933 121.273 120.400 -0.101 0.000 2.057 697 K HA -0.143 4.178 4.320 0.001 0.000 0.207 697 K C 2.520 179.012 176.600 -0.180 0.000 1.049 697 K CA 1.218 57.408 56.287 -0.161 0.000 0.931 697 K CB -0.136 32.226 32.500 -0.231 0.000 0.714 697 K HN 0.129 nan 8.250 nan 0.000 0.440 698 Q N 1.481 121.184 119.800 -0.163 0.000 2.124 698 Q HA -0.229 4.112 4.340 0.001 0.000 0.202 698 Q C 1.897 177.789 176.000 -0.181 0.000 0.977 698 Q CA 2.013 57.708 55.803 -0.180 0.000 0.850 698 Q CB -0.075 28.562 28.738 -0.168 0.000 0.901 698 Q HN 0.483 nan 8.270 nan 0.000 0.429 699 Q N -0.884 118.840 119.800 -0.127 0.000 2.311 699 Q HA -0.048 4.292 4.340 0.001 0.000 0.203 699 Q C 1.990 177.962 176.000 -0.046 0.000 0.954 699 Q CA 1.026 56.770 55.803 -0.100 0.000 0.885 699 Q CB -0.364 28.331 28.738 -0.072 0.000 0.963 699 Q HN 0.479 nan 8.270 nan 0.000 0.471 700 L N 0.388 121.594 121.223 -0.028 0.000 2.056 700 L HA -0.115 4.226 4.340 0.001 0.000 0.207 700 L C 2.116 179.038 176.870 0.087 0.000 1.078 700 L CA 0.815 55.676 54.840 0.035 0.000 0.749 700 L CB -0.100 41.987 42.059 0.047 0.000 0.901 700 L HN 0.164 nan 8.230 nan 0.000 0.433 701 V N 0.172 120.111 119.914 0.041 0.000 2.295 701 V HA -0.300 3.821 4.120 0.001 0.000 0.246 701 V C 2.414 178.626 176.094 0.197 0.000 1.049 701 V CA 2.214 64.622 62.300 0.181 0.000 1.024 701 V CB -0.616 31.260 31.823 0.089 0.000 0.648 701 V HN 0.500 nan 8.190 nan 0.000 0.447 702 E N -0.221 119.970 120.200 -0.015 0.000 2.110 702 E HA -0.214 4.137 4.350 0.001 0.000 0.193 702 E C 2.433 179.101 176.600 0.113 0.000 0.988 702 E CA 1.107 57.492 56.400 -0.025 0.000 0.804 702 E CB -0.154 29.390 29.700 -0.261 0.000 0.745 702 E HN 0.534 nan 8.360 nan 0.000 0.458 703 R N -0.019 120.530 120.500 0.082 0.000 2.193 703 R HA -0.004 4.337 4.340 0.001 0.000 0.213 703 R C 2.291 178.661 176.300 0.118 0.000 1.055 703 R CA 1.040 57.195 56.100 0.092 0.000 0.995 703 R CB -0.020 30.322 30.300 0.069 0.000 0.893 703 R HN 0.066 nan 8.270 nan 0.000 0.459 704 T N 1.537 116.185 114.554 0.156 0.000 2.643 704 T HA -0.087 4.264 4.350 0.001 0.000 0.264 704 T C 1.780 176.526 174.700 0.075 0.000 1.045 704 T CA 1.023 63.206 62.100 0.138 0.000 1.155 704 T CB -0.042 68.972 68.868 0.243 0.000 0.863 704 T HN 0.019 nan 8.240 nan 0.000 0.420 705 I N 1.387 122.028 120.570 0.117 0.000 2.208 705 I HA -0.122 4.049 4.170 0.001 0.000 0.245 705 I C 2.708 178.877 176.117 0.086 0.000 1.097 705 I CA 1.211 62.564 61.300 0.087 0.000 1.363 705 I CB -1.539 36.563 38.000 0.171 0.000 1.051 705 I HN 0.236 nan 8.210 nan 0.000 0.413 706 S N 0.616 116.388 115.700 0.119 0.000 2.383 706 S HA -0.135 4.335 4.470 0.001 0.000 0.227 706 S C 1.966 176.611 174.600 0.074 0.000 1.026 706 S CA 0.878 59.139 58.200 0.102 0.000 0.981 706 S CB -0.258 63.008 63.200 0.110 0.000 0.818 706 S HN 0.327 nan 8.310 nan 0.000 0.472 707 L N 1.633 122.899 121.223 0.071 0.000 2.093 707 L HA 0.173 4.514 4.340 0.001 0.000 0.208 707 L C 2.002 178.888 176.870 0.027 0.000 1.085 707 L CA 1.499 56.372 54.840 0.056 0.000 0.755 707 L CB -0.715 41.384 42.059 0.067 0.000 0.904 707 L HN 0.362 nan 8.230 nan 0.000 0.435 708 L N -1.385 119.848 121.223 0.017 0.000 2.083 708 L HA -0.248 4.093 4.340 0.001 0.000 0.209 708 L C 2.485 179.364 176.870 0.014 0.000 1.083 708 L CA 1.245 56.086 54.840 0.001 0.000 0.752 708 L CB -0.517 41.533 42.059 -0.016 0.000 0.899 708 L HN 0.304 nan 8.230 nan 0.000 0.433 709 L N -1.192 120.048 121.223 0.027 0.000 2.017 709 L HA -0.194 4.147 4.340 0.001 0.000 0.208 709 L C 2.521 179.411 176.870 0.032 0.000 1.073 709 L CA 0.867 55.727 54.840 0.033 0.000 0.745 709 L CB -0.523 41.562 42.059 0.043 0.000 0.894 709 L HN 0.043 nan 8.230 nan 0.000 0.432 710 V N 0.088 120.023 119.914 0.036 0.000 2.343 710 V HA -0.289 3.832 4.120 0.001 0.000 0.247 710 V C 2.419 178.526 176.094 0.022 0.000 1.051 710 V CA 1.594 63.914 62.300 0.034 0.000 1.036 710 V CB -0.345 31.504 31.823 0.043 0.000 0.654 710 V HN 0.339 nan 8.190 nan 0.000 0.451 711 L N -1.322 119.908 121.223 0.011 0.000 2.079 711 L HA -0.258 4.083 4.340 0.001 0.000 0.210 711 L C 2.503 179.373 176.870 -0.000 0.000 1.081 711 L CA 1.772 56.609 54.840 -0.005 0.000 0.752 711 L CB -0.373 41.671 42.059 -0.026 0.000 0.896 711 L HN 0.342 nan 8.230 nan 0.000 0.433 712 M N -1.039 118.565 119.600 0.007 0.000 2.077 712 M HA -0.219 4.262 4.480 0.001 0.000 0.261 712 M C 2.276 178.583 176.300 0.012 0.000 1.070 712 M CA 1.718 57.023 55.300 0.007 0.000 1.125 712 M CB -0.324 32.286 32.600 0.016 0.000 1.339 712 M HN 0.202 nan 8.290 nan 0.000 0.409 713 E N 0.101 120.313 120.200 0.021 0.000 2.006 713 E HA -0.251 4.100 4.350 0.001 0.000 0.192 713 E C 1.903 178.515 176.600 0.021 0.000 0.993 713 E CA 1.409 57.824 56.400 0.026 0.000 0.808 713 E CB 0.077 29.796 29.700 0.033 0.000 0.764 713 E HN 0.328 nan 8.360 nan 0.000 0.449 714 Q N -0.957 118.855 119.800 0.019 0.000 2.435 714 Q HA 0.034 4.374 4.340 0.001 0.000 0.207 714 Q C 1.067 177.074 176.000 0.012 0.000 0.956 714 Q CA 0.573 56.386 55.803 0.016 0.000 0.917 714 Q CB 0.333 29.081 28.738 0.017 0.000 0.997 714 Q HN 0.274 nan 8.270 nan 0.000 0.497 715 C N -1.041 118.264 119.300 0.007 0.000 3.243 715 C HA 0.469 4.930 4.460 0.001 0.000 0.286 715 C C 0.979 175.971 174.990 0.003 0.000 1.373 715 C CA -0.225 58.795 59.018 0.003 0.000 1.749 715 C CB -0.543 27.195 27.740 -0.005 0.000 2.313 715 C HN 0.562 nan 8.230 nan 0.000 0.644 716 G N 1.731 110.534 108.800 0.004 0.000 2.370 716 G HA2 0.031 3.991 3.960 0.001 0.000 0.293 716 G HA3 0.031 3.991 3.960 0.001 0.000 0.293 716 G C 0.251 175.145 174.900 -0.010 0.000 0.992 716 G CA 0.567 45.668 45.100 0.002 0.000 1.247 716 G HN 1.106 nan 8.290 nan 0.000 0.505 717 A N -0.129 122.680 122.820 -0.018 0.000 2.573 717 A HA 0.638 4.958 4.320 0.001 0.000 0.269 717 A C 1.022 178.569 177.584 -0.063 0.000 0.901 717 A CA 1.068 53.087 52.037 -0.029 0.000 1.066 717 A CB 0.186 19.183 19.000 -0.005 0.000 1.221 717 A HN 0.516 nan 8.150 nan 0.000 0.483 718 E N 0.753 120.895 120.200 -0.096 0.000 2.048 718 E HA -0.243 4.107 4.350 0.001 0.000 0.202 718 E C 1.829 178.229 176.600 -0.334 0.000 1.021 718 E CA 1.689 58.000 56.400 -0.148 0.000 0.825 718 E CB -0.003 29.644 29.700 -0.089 0.000 0.756 718 E HN 0.446 nan 8.360 nan 0.000 0.454 719 K N 0.405 120.451 120.400 -0.588 0.000 1.987 719 K HA -0.230 4.091 4.320 0.001 0.000 0.216 719 K C 2.108 178.595 176.600 -0.189 0.000 1.051 719 K CA 1.949 57.907 56.287 -0.548 0.000 0.942 719 K CB -0.346 31.941 32.500 -0.354 0.000 0.722 719 K HN 0.080 nan 8.250 nan 0.000 0.444 720 E N 0.321 120.476 120.200 -0.075 0.000 2.085 720 E HA -0.142 4.208 4.350 0.001 0.000 0.194 720 E C 2.051 178.760 176.600 0.181 0.000 0.994 720 E CA 0.933 57.389 56.400 0.094 0.000 0.801 720 E CB -0.298 29.503 29.700 0.168 0.000 0.743 720 E HN 0.041 nan 8.360 nan 0.000 0.453 721 V N 0.686 120.648 119.914 0.081 0.000 2.358 721 V HA -0.252 3.868 4.120 0.001 0.000 0.246 721 V C 2.157 178.302 176.094 0.085 0.000 1.047 721 V CA 1.768 64.120 62.300 0.086 0.000 1.035 721 V CB -0.774 31.068 31.823 0.030 0.000 0.658 721 V HN 0.368 nan 8.190 nan 0.000 0.452 722 A N 0.550 123.395 122.820 0.041 0.000 1.902 722 A HA -0.273 4.047 4.320 0.001 0.000 0.217 722 A C 2.235 179.856 177.584 0.062 0.000 1.181 722 A CA 1.944 54.017 52.037 0.060 0.000 0.623 722 A CB -0.446 18.593 19.000 0.065 0.000 0.818 722 A HN 0.749 nan 8.150 nan 0.000 0.443 723 Q N -2.093 117.712 119.800 0.008 0.000 2.083 723 Q HA -0.125 4.215 4.340 0.001 0.000 0.198 723 Q C 1.435 177.448 176.000 0.021 0.000 0.969 723 Q CA 1.434 57.210 55.803 -0.045 0.000 0.838 723 Q CB -0.597 28.031 28.738 -0.182 0.000 0.900 723 Q HN 0.653 nan 8.270 nan 0.000 0.436 724 Y N 1.257 121.624 120.300 0.110 0.000 2.632 724 Y HA 0.089 4.639 4.550 0.001 0.000 0.301 724 Y C 1.141 177.068 175.900 0.045 0.000 1.172 724 Y CA 0.406 58.586 58.100 0.133 0.000 1.328 724 Y CB 0.464 38.958 38.460 0.057 0.000 1.016 724 Y HN 0.071 nan 8.280 nan 0.000 0.529 725 S N -0.837 114.957 115.700 0.157 0.000 2.574 725 S HA 0.037 4.508 4.470 0.001 0.000 0.242 725 S C 1.226 175.840 174.600 0.023 0.000 0.982 725 S CA -0.479 57.739 58.200 0.030 0.000 0.977 725 S CB -0.501 62.728 63.200 0.049 0.000 0.814 725 S HN 0.623 nan 8.310 nan 0.000 0.464 726 Y N 1.392 121.737 120.300 0.074 0.000 2.274 726 Y HA -0.130 4.421 4.550 0.001 0.000 0.290 726 Y C 2.044 178.004 175.900 0.101 0.000 1.145 726 Y CA 1.170 59.316 58.100 0.076 0.000 1.203 726 Y CB -1.304 37.177 38.460 0.034 0.000 0.984 726 Y HN 0.319 nan 8.280 nan 0.000 0.533 727 S N 0.296 115.622 115.700 -0.624 0.000 2.507 727 S HA 0.001 4.471 4.470 0.001 0.000 0.235 727 S C 0.610 175.169 174.600 -0.068 0.000 0.988 727 S CA 0.345 58.335 58.200 -0.351 0.000 0.944 727 S CB -0.842 62.080 63.200 -0.464 0.000 0.762 727 S HN 0.422 nan 8.310 nan 0.000 0.526 728 I N 2.393 122.945 120.570 -0.029 0.000 2.365 728 I HA 0.274 4.445 4.170 0.001 0.000 0.291 728 I C 0.043 176.212 176.117 0.087 0.000 1.004 728 I CA -0.609 60.712 61.300 0.035 0.000 1.311 728 I CB 1.047 38.989 38.000 -0.097 0.000 1.401 728 I HN 0.039 nan 8.210 nan 0.000 0.491 729 D N 4.735 125.170 120.400 0.058 0.000 2.329 729 D HA 0.032 4.672 4.640 0.001 0.000 0.246 729 D C -0.339 175.813 176.300 -0.247 0.000 1.111 729 D CA -0.508 53.484 54.000 -0.014 0.000 0.941 729 D CB 1.213 41.980 40.800 -0.056 0.000 1.169 729 D HN 0.551 nan 8.370 nan 0.000 0.441 730 C N 4.411 123.293 119.300 -0.696 0.000 2.041 730 C HA -0.029 4.432 4.460 0.001 0.000 0.416 730 C C -1.121 173.462 174.990 -0.677 0.000 1.521 730 C CA -1.076 57.115 59.018 -1.378 0.000 1.444 730 C CB -0.659 26.199 27.740 -1.471 0.000 2.659 730 C HN 0.493 nan 8.230 nan 0.000 0.615 731 P HA -0.120 nan 4.420 nan 0.000 0.218 731 P C 1.645 178.802 177.300 -0.238 0.000 1.148 731 P CA 0.806 63.758 63.100 -0.248 0.000 0.822 731 P CB -0.028 31.555 31.700 -0.196 0.000 0.784 732 L N -0.014 121.010 121.223 -0.331 0.000 2.137 732 L HA -0.207 4.134 4.340 0.001 0.000 0.213 732 L C 1.579 178.333 176.870 -0.193 0.000 1.085 732 L CA 1.877 56.573 54.840 -0.240 0.000 0.760 732 L CB -1.270 40.654 42.059 -0.225 0.000 0.893 732 L HN -0.053 nan 8.230 nan 0.000 0.434 733 N N -0.992 117.582 118.700 -0.209 0.000 2.453 733 N HA -0.131 4.609 4.740 0.001 0.000 0.183 733 N C 1.625 177.093 175.510 -0.070 0.000 1.041 733 N CA 0.620 53.584 53.050 -0.143 0.000 0.900 733 N CB -0.275 38.112 38.487 -0.167 0.000 0.961 733 N HN 0.222 nan 8.380 nan 0.000 0.443 734 L N 0.518 121.720 121.223 -0.034 0.000 2.191 734 L HA -0.025 4.316 4.340 0.001 0.000 0.212 734 L C 1.664 178.587 176.870 0.087 0.000 1.103 734 L CA 1.124 56.021 54.840 0.094 0.000 0.769 734 L CB -0.667 41.510 42.059 0.198 0.000 0.908 734 L HN 0.208 nan 8.230 nan 0.000 0.438 735 L N -0.913 120.296 121.223 -0.024 0.000 2.612 735 L HA 0.016 4.356 4.340 0.001 0.000 0.230 735 L C 1.608 178.474 176.870 -0.006 0.000 1.140 735 L CA -0.209 54.615 54.840 -0.026 0.000 0.896 735 L CB -0.550 41.443 42.059 -0.110 0.000 1.065 735 L HN 0.234 nan 8.230 nan 0.000 0.447 736 N N 0.985 119.682 118.700 -0.005 0.000 2.188 736 N HA -0.073 4.668 4.740 0.001 0.000 0.184 736 N C 1.398 176.916 175.510 0.014 0.000 1.018 736 N CA 0.992 54.037 53.050 -0.008 0.000 0.858 736 N CB -0.232 38.243 38.487 -0.019 0.000 0.989 736 N HN 0.339 nan 8.380 nan 0.000 0.426 737 G N -0.506 108.316 108.800 0.038 0.000 2.447 737 G HA2 0.117 4.078 3.960 0.001 0.000 0.269 737 G HA3 0.117 4.078 3.960 0.001 0.000 0.269 737 G C 0.823 175.751 174.900 0.046 0.000 1.455 737 G CA 0.360 45.485 45.100 0.042 0.000 1.061 737 G HN 0.441 nan 8.290 nan 0.000 0.545 738 N N -0.199 118.528 118.700 0.045 0.000 2.362 738 N HA 0.139 4.880 4.740 0.001 0.000 0.211 738 N C 0.849 176.397 175.510 0.063 0.000 1.170 738 N CA 0.077 53.153 53.050 0.044 0.000 0.828 738 N CB -0.274 38.231 38.487 0.030 0.000 1.034 738 N HN 0.478 nan 8.380 nan 0.000 0.475 739 Q N 0.296 120.151 119.800 0.092 0.000 2.274 739 Q HA 0.124 4.465 4.340 0.001 0.000 0.280 739 Q C 1.300 177.375 176.000 0.125 0.000 1.047 739 Q CA 0.164 56.051 55.803 0.140 0.000 0.907 739 Q CB 1.186 30.072 28.738 0.247 0.000 1.171 739 Q HN 0.541 nan 8.270 nan 0.000 0.381 740 V N -0.499 119.489 119.914 0.123 0.000 3.572 740 V HA 0.188 4.308 4.120 0.001 0.000 0.260 740 V C 0.711 176.882 176.094 0.128 0.000 1.324 740 V CA -0.060 62.308 62.300 0.114 0.000 1.068 740 V CB 0.011 31.886 31.823 0.085 0.000 0.837 740 V HN 0.544 nan 8.190 nan 0.000 0.450 741 K N 3.211 123.701 120.400 0.149 0.000 2.405 741 K HA 0.099 4.419 4.320 0.001 0.000 0.276 741 K C -1.124 175.576 176.600 0.167 0.000 1.099 741 K CA -0.340 56.038 56.287 0.150 0.000 1.120 741 K CB 0.914 33.503 32.500 0.149 0.000 0.877 741 K HN 0.300 nan 8.250 nan 0.000 0.472 742 P HA -0.147 nan 4.420 nan 0.000 0.219 742 P C 1.043 178.399 177.300 0.093 0.000 1.150 742 P CA 1.182 64.335 63.100 0.089 0.000 0.814 742 P CB 0.238 31.988 31.700 0.084 0.000 0.787 743 T N -2.361 112.266 114.554 0.121 0.000 3.043 743 T HA -0.018 4.332 4.350 0.001 0.000 0.263 743 T C 1.379 176.206 174.700 0.213 0.000 1.094 743 T CA 0.038 62.221 62.100 0.139 0.000 1.127 743 T CB -0.699 68.232 68.868 0.105 0.000 0.905 743 T HN -0.164 nan 8.240 nan 0.000 0.490 744 F N 1.690 121.674 119.950 0.057 0.000 2.149 744 F HA 0.212 4.739 4.527 0.001 0.000 0.294 744 F C 1.738 177.563 175.800 0.041 0.000 1.095 744 F CA 0.632 58.662 58.000 0.050 0.000 1.276 744 F CB -0.583 38.441 39.000 0.039 0.000 1.023 744 F HN 0.141 nan 8.300 nan 0.000 0.480 745 I N 0.043 120.523 120.570 -0.150 0.000 2.151 745 I HA -0.394 3.777 4.170 0.001 0.000 0.243 745 I C 2.513 178.524 176.117 -0.176 0.000 1.080 745 I CA 2.160 63.306 61.300 -0.256 0.000 1.339 745 I CB -0.852 37.056 38.000 -0.153 0.000 1.039 745 I HN 0.241 nan 8.210 nan 0.000 0.409 746 H N 1.190 120.182 119.070 -0.130 0.000 2.387 746 H HA -0.129 4.427 4.556 0.001 0.000 0.299 746 H C 2.078 177.365 175.328 -0.068 0.000 1.090 746 H CA 1.820 57.818 56.048 -0.083 0.000 1.332 746 H CB 0.005 29.746 29.762 -0.035 0.000 1.386 746 H HN 0.224 nan 8.280 nan 0.000 0.516 747 N N -0.077 118.609 118.700 -0.024 0.000 2.043 747 N HA -0.154 4.587 4.740 0.001 0.000 0.193 747 N C 2.157 177.581 175.510 -0.143 0.000 1.037 747 N CA 1.421 54.443 53.050 -0.046 0.000 0.851 747 N CB -0.713 37.820 38.487 0.075 0.000 1.027 747 N HN 0.201 nan 8.380 nan 0.000 0.422 748 V N 1.650 121.412 119.914 -0.253 0.000 2.282 748 V HA -0.225 3.896 4.120 0.001 0.000 0.249 748 V C 2.362 178.347 176.094 -0.181 0.000 1.057 748 V CA 1.424 63.566 62.300 -0.264 0.000 1.032 748 V CB -0.578 30.982 31.823 -0.439 0.000 0.645 748 V HN 0.245 nan 8.190 nan 0.000 0.447 749 L N -0.795 120.308 121.223 -0.199 0.000 2.046 749 L HA -0.148 4.193 4.340 0.001 0.000 0.208 749 L C 2.434 179.231 176.870 -0.122 0.000 1.077 749 L CA 1.162 55.916 54.840 -0.143 0.000 0.747 749 L CB -0.672 41.291 42.059 -0.161 0.000 0.896 749 L HN 0.183 nan 8.230 nan 0.000 0.432 750 V N -0.997 118.790 119.914 -0.211 0.000 2.307 750 V HA -0.242 3.878 4.120 0.001 0.000 0.245 750 V C 2.331 178.394 176.094 -0.051 0.000 1.045 750 V CA 1.593 63.798 62.300 -0.158 0.000 1.024 750 V CB -0.121 31.562 31.823 -0.234 0.000 0.651 750 V HN 0.264 nan 8.190 nan 0.000 0.449 751 V N -0.833 119.056 119.914 -0.041 0.000 2.343 751 V HA -0.291 3.830 4.120 0.001 0.000 0.247 751 V C 2.473 178.609 176.094 0.071 0.000 1.051 751 V CA 2.603 64.910 62.300 0.012 0.000 1.036 751 V CB -0.313 31.510 31.823 0.000 0.000 0.654 751 V HN 0.729 nan 8.190 nan 0.000 0.451 752 C N 0.096 119.441 119.300 0.075 0.000 2.413 752 C HA -0.175 4.286 4.460 0.001 0.000 0.276 752 C C 2.479 177.591 174.990 0.203 0.000 1.236 752 C CA 1.717 60.863 59.018 0.214 0.000 1.735 752 C CB -1.239 26.609 27.740 0.179 0.000 2.031 752 C HN 0.820 nan 8.230 nan 0.000 0.474 753 D N 0.041 120.503 120.400 0.104 0.000 2.123 753 D HA -0.151 4.490 4.640 0.001 0.000 0.196 753 D C 2.210 178.535 176.300 0.041 0.000 0.992 753 D CA 1.336 55.371 54.000 0.060 0.000 0.833 753 D CB -0.035 40.778 40.800 0.022 0.000 0.954 753 D HN 0.451 nan 8.370 nan 0.000 0.455 754 K N -0.388 120.049 120.400 0.061 0.000 2.155 754 K HA -0.026 4.294 4.320 0.001 0.000 0.203 754 K C 2.174 178.858 176.600 0.140 0.000 1.052 754 K CA 0.640 56.984 56.287 0.094 0.000 0.948 754 K CB 0.034 32.593 32.500 0.098 0.000 0.728 754 K HN 0.290 nan 8.250 nan 0.000 0.448 755 I N 1.201 121.848 120.570 0.129 0.000 2.252 755 I HA -0.265 3.906 4.170 0.001 0.000 0.245 755 I C 1.983 178.106 176.117 0.011 0.000 1.102 755 I CA 1.187 62.561 61.300 0.122 0.000 1.385 755 I CB -0.166 37.958 38.000 0.207 0.000 1.064 755 I HN 0.091 nan 8.210 nan 0.000 0.414 756 L N 0.126 121.321 121.223 -0.048 0.000 2.376 756 L HA -0.145 4.196 4.340 0.001 0.000 0.219 756 L C 2.370 179.132 176.870 -0.180 0.000 1.133 756 L CA 0.716 55.443 54.840 -0.189 0.000 0.816 756 L CB -0.464 41.444 42.059 -0.252 0.000 0.933 756 L HN 0.219 nan 8.230 nan 0.000 0.449 757 E N 0.086 120.190 120.200 -0.159 0.000 2.208 757 E HA -0.178 4.173 4.350 0.001 0.000 0.193 757 E C 1.655 177.994 176.600 -0.436 0.000 0.988 757 E CA 1.411 57.634 56.400 -0.296 0.000 0.828 757 E CB 0.091 29.584 29.700 -0.345 0.000 0.763 757 E HN 0.554 nan 8.360 nan 0.000 0.478 758 H N -2.777 116.251 119.070 -0.070 0.000 2.750 758 H HA 0.355 4.912 4.556 0.001 0.000 0.263 758 H C -0.170 175.103 175.328 -0.091 0.000 0.964 758 H CA 0.344 56.352 56.048 -0.067 0.000 1.205 758 H CB 0.738 30.474 29.762 -0.043 0.000 1.454 758 H HN 0.029 nan 8.280 nan 0.000 0.503 759 C N 1.834 121.108 119.300 -0.042 0.000 3.495 759 C HA 0.220 4.680 4.460 0.001 0.000 0.201 759 C C -1.572 173.288 174.990 -0.218 0.000 1.408 759 C CA -1.315 57.635 59.018 -0.113 0.000 1.367 759 C CB 0.897 28.578 27.740 -0.099 0.000 1.845 759 C HN 0.314 nan 8.230 nan 0.000 0.500 760 P HA -0.152 nan 4.420 nan 0.000 0.216 760 P C 1.805 178.924 177.300 -0.303 0.000 1.150 760 P CA 1.987 64.932 63.100 -0.259 0.000 0.837 760 P CB -0.100 31.481 31.700 -0.197 0.000 0.786 761 T N -2.970 111.438 114.554 -0.243 0.000 3.025 761 T HA -0.106 4.245 4.350 0.001 0.000 0.270 761 T C 1.740 176.259 174.700 -0.302 0.000 1.126 761 T CA 0.760 62.726 62.100 -0.224 0.000 1.105 761 T CB -0.686 68.088 68.868 -0.156 0.000 0.884 761 T HN 0.129 nan 8.240 nan 0.000 0.522 762 R N 0.755 120.978 120.500 -0.461 0.000 2.189 762 R HA 0.214 4.555 4.340 0.001 0.000 0.223 762 R C 2.914 178.673 176.300 -0.903 0.000 1.092 762 R CA 0.911 56.545 56.100 -0.776 0.000 0.989 762 R CB -0.561 29.070 30.300 -1.114 0.000 0.876 762 R HN 0.552 nan 8.270 nan 0.000 0.457 763 A N 1.686 124.083 122.820 -0.705 0.000 1.908 763 A HA -0.220 4.100 4.320 0.001 0.000 0.218 763 A C 1.336 178.858 177.584 -0.103 0.000 1.181 763 A CA 2.024 53.714 52.037 -0.578 0.000 0.627 763 A CB -0.349 18.139 19.000 -0.854 0.000 0.818 763 A HN 0.224 nan 8.150 nan 0.000 0.445 764 D N -0.507 119.812 120.400 -0.135 0.000 2.194 764 D HA 0.009 4.649 4.640 0.001 0.000 0.204 764 D C 1.686 178.007 176.300 0.035 0.000 0.964 764 D CA 0.939 54.933 54.000 -0.011 0.000 0.846 764 D CB -0.132 40.637 40.800 -0.051 0.000 0.962 764 D HN 0.530 nan 8.370 nan 0.000 0.490 765 I N -0.330 120.224 120.570 -0.028 0.000 2.406 765 I HA -0.059 4.112 4.170 0.001 0.000 0.249 765 I C 0.637 176.879 176.117 0.209 0.000 1.122 765 I CA 0.136 61.461 61.300 0.042 0.000 1.431 765 I CB -0.036 37.953 38.000 -0.017 0.000 1.087 765 I HN 0.010 nan 8.210 nan 0.000 0.424 766 W N 1.896 123.252 121.300 0.094 0.000 2.160 766 W HA 0.114 4.775 4.660 0.001 0.000 0.352 766 W C 0.302 176.883 176.519 0.103 0.000 1.288 766 W CA -0.249 57.165 57.345 0.114 0.000 1.279 766 W CB -0.342 29.235 29.460 0.195 0.000 1.181 766 W HN -0.138 nan 8.180 nan 0.000 0.593 767 T N 3.650 118.368 114.554 0.273 0.000 2.840 767 T HA 0.558 4.908 4.350 0.001 0.000 0.287 767 T C -0.279 174.438 174.700 0.028 0.000 0.991 767 T CA -0.576 61.599 62.100 0.125 0.000 0.964 767 T CB 0.716 69.625 68.868 0.068 0.000 0.954 767 T HN 0.292 nan 8.240 nan 0.000 0.438 768 I N -0.572 119.976 120.570 -0.036 0.000 2.957 768 I HA 0.668 4.839 4.170 0.001 0.000 0.310 768 I C -0.781 175.255 176.117 -0.134 0.000 1.063 768 I CA -1.022 60.191 61.300 -0.145 0.000 1.033 768 I CB 2.037 39.842 38.000 -0.325 0.000 1.230 768 I HN 0.295 nan 8.210 nan 0.000 0.447 769 D N 3.438 123.759 120.400 -0.133 0.000 2.483 769 D HA 0.148 4.788 4.640 0.001 0.000 0.220 769 D C 0.922 177.150 176.300 -0.122 0.000 1.173 769 D CA 0.074 54.014 54.000 -0.101 0.000 0.964 769 D CB 0.636 41.389 40.800 -0.078 0.000 1.046 769 D HN 0.631 nan 8.370 nan 0.000 0.517 770 R N 3.232 123.658 120.500 -0.122 0.000 2.096 770 R HA -0.073 4.267 4.340 0.001 0.000 0.235 770 R C -0.863 175.391 176.300 -0.076 0.000 1.127 770 R CA 0.891 56.915 56.100 -0.127 0.000 0.968 770 R CB -0.511 29.726 30.300 -0.105 0.000 0.861 770 R HN 0.336 nan 8.270 nan 0.000 0.440 771 P HA -0.246 nan 4.420 nan 0.000 0.215 771 P C 1.420 178.701 177.300 -0.031 0.000 1.163 771 P CA 1.451 64.531 63.100 -0.033 0.000 0.894 771 P CB -0.212 31.473 31.700 -0.025 0.000 0.791 772 M N -1.272 118.304 119.600 -0.041 0.000 2.117 772 M HA -0.160 4.320 4.480 0.001 0.000 0.262 772 M C 1.928 178.204 176.300 -0.040 0.000 1.065 772 M CA 1.831 57.110 55.300 -0.035 0.000 1.114 772 M CB -0.798 31.776 32.600 -0.043 0.000 1.361 772 M HN -0.104 nan 8.290 nan 0.000 0.408 773 L N 1.630 122.812 121.223 -0.068 0.000 2.083 773 L HA -0.099 4.241 4.340 0.001 0.000 0.209 773 L C 2.525 179.375 176.870 -0.033 0.000 1.083 773 L CA 2.738 57.536 54.840 -0.070 0.000 0.752 773 L CB -1.204 40.781 42.059 -0.125 0.000 0.899 773 L HN 0.467 nan 8.230 nan 0.000 0.433 774 E N -0.567 119.616 120.200 -0.028 0.000 2.106 774 E HA -0.047 4.304 4.350 0.001 0.000 0.192 774 E C 2.175 178.780 176.600 0.009 0.000 0.984 774 E CA 1.006 57.403 56.400 -0.005 0.000 0.806 774 E CB -1.655 28.042 29.700 -0.006 0.000 0.750 774 E HN 0.642 nan 8.360 nan 0.000 0.458 775 G N 0.563 109.367 108.800 0.006 0.000 2.469 775 G HA2 -0.174 3.787 3.960 0.001 0.000 0.220 775 G HA3 -0.174 3.787 3.960 0.001 0.000 0.220 775 G C 1.727 176.658 174.900 0.051 0.000 1.136 775 G CA 1.049 46.163 45.100 0.024 0.000 0.759 775 G HN 0.473 nan 8.290 nan 0.000 0.562 776 L N 0.902 122.148 121.223 0.040 0.000 2.552 776 L HA 0.021 4.362 4.340 0.001 0.000 0.227 776 L C 2.861 179.775 176.870 0.074 0.000 1.146 776 L CA 0.762 55.637 54.840 0.058 0.000 0.858 776 L CB -0.291 41.759 42.059 -0.015 0.000 0.969 776 L HN 0.150 nan 8.230 nan 0.000 0.451 777 T N -0.714 113.871 114.554 0.053 0.000 2.788 777 T HA -0.095 4.256 4.350 0.001 0.000 0.268 777 T C 1.206 175.946 174.700 0.068 0.000 1.044 777 T CA 1.069 63.201 62.100 0.053 0.000 1.139 777 T CB -0.160 68.730 68.868 0.036 0.000 0.867 777 T HN 0.299 nan 8.240 nan 0.000 0.454 778 N N 1.334 120.076 118.700 0.069 0.000 2.451 778 N HA 0.041 4.781 4.740 0.001 0.000 0.264 778 N C -0.285 175.267 175.510 0.069 0.000 1.167 778 N CA -0.044 53.039 53.050 0.055 0.000 0.898 778 N CB -0.043 38.462 38.487 0.030 0.000 1.176 778 N HN 0.516 nan 8.380 nan 0.000 0.507 779 H N 1.361 120.439 119.070 0.014 0.000 2.562 779 H HA 0.160 4.717 4.556 0.001 0.000 0.352 779 H C 1.090 176.427 175.328 0.015 0.000 1.125 779 H CA 0.033 56.090 56.048 0.015 0.000 1.379 779 H CB 1.458 31.232 29.762 0.020 0.000 1.464 779 H HN 0.105 nan 8.280 nan 0.000 0.563 780 R N 1.956 122.164 120.500 -0.487 0.000 2.143 780 R HA -0.195 4.146 4.340 0.001 0.000 0.239 780 R C 1.002 177.301 176.300 -0.001 0.000 1.126 780 R CA 1.242 57.196 56.100 -0.244 0.000 0.927 780 R CB -0.601 29.497 30.300 -0.337 0.000 0.860 780 R HN 0.539 nan 8.270 nan 0.000 0.433 781 N N 0.964 119.779 118.700 0.192 0.000 2.407 781 N HA -0.075 4.665 4.740 0.001 0.000 0.250 781 N C 0.700 176.312 175.510 0.170 0.000 1.236 781 N CA 0.675 53.850 53.050 0.208 0.000 0.879 781 N CB 1.141 39.776 38.487 0.248 0.000 1.088 781 N HN 0.273 nan 8.380 nan 0.000 0.450 782 S N 1.694 117.446 115.700 0.087 0.000 2.478 782 S HA 0.018 4.489 4.470 0.001 0.000 0.222 782 S C 0.856 175.498 174.600 0.070 0.000 1.008 782 S CA 0.215 58.456 58.200 0.069 0.000 0.928 782 S CB 0.248 63.474 63.200 0.042 0.000 0.781 782 S HN 0.542 nan 8.310 nan 0.000 0.518 783 D N 2.014 122.447 120.400 0.054 0.000 2.137 783 D HA 0.127 4.768 4.640 0.001 0.000 0.202 783 D C 1.927 178.344 176.300 0.195 0.000 0.970 783 D CA 0.844 54.891 54.000 0.077 0.000 0.837 783 D CB -0.229 40.491 40.800 -0.134 0.000 0.981 783 D HN 0.403 nan 8.370 nan 0.000 0.475 784 I N 1.568 122.228 120.570 0.152 0.000 2.142 784 I HA -0.276 3.894 4.170 0.001 0.000 0.240 784 I C 2.592 178.746 176.117 0.062 0.000 1.078 784 I CA 1.125 62.480 61.300 0.093 0.000 1.343 784 I CB -0.308 37.614 38.000 -0.130 0.000 1.046 784 I HN -0.089 nan 8.210 nan 0.000 0.405 785 A N 0.768 123.644 122.820 0.093 0.000 1.892 785 A HA -0.329 3.992 4.320 0.001 0.000 0.218 785 A C 2.354 179.978 177.584 0.067 0.000 1.188 785 A CA 2.443 54.533 52.037 0.089 0.000 0.631 785 A CB -0.679 18.382 19.000 0.102 0.000 0.822 785 A HN 0.403 nan 8.150 nan 0.000 0.447 786 K N -0.591 119.853 120.400 0.075 0.000 2.026 786 K HA -0.048 4.272 4.320 0.001 0.000 0.208 786 K C 2.058 178.691 176.600 0.055 0.000 1.048 786 K CA 1.387 57.713 56.287 0.065 0.000 0.929 786 K CB -0.336 32.208 32.500 0.074 0.000 0.713 786 K HN 0.369 nan 8.250 nan 0.000 0.439 787 A N 0.469 123.324 122.820 0.057 0.000 2.016 787 A HA 0.087 4.407 4.320 0.001 0.000 0.217 787 A C 2.208 179.797 177.584 0.009 0.000 1.162 787 A CA 1.294 53.339 52.037 0.013 0.000 0.662 787 A CB -0.538 18.425 19.000 -0.062 0.000 0.812 787 A HN 0.455 nan 8.150 nan 0.000 0.450 788 A N 1.697 124.526 122.820 0.015 0.000 1.933 788 A HA -0.201 4.120 4.320 0.001 0.000 0.218 788 A C 1.811 179.417 177.584 0.037 0.000 1.175 788 A CA 1.564 53.609 52.037 0.014 0.000 0.628 788 A CB -0.730 18.275 19.000 0.007 0.000 0.814 788 A HN 0.840 nan 8.150 nan 0.000 0.444 789 N N -1.085 117.639 118.700 0.041 0.000 2.353 789 N HA 0.007 4.747 4.740 0.001 0.000 0.185 789 N C 1.245 176.784 175.510 0.049 0.000 1.098 789 N CA 0.904 53.982 53.050 0.047 0.000 0.872 789 N CB 0.019 38.530 38.487 0.040 0.000 0.970 789 N HN 0.278 nan 8.380 nan 0.000 0.467 790 S N 1.266 116.992 115.700 0.043 0.000 2.368 790 S HA -0.041 4.430 4.470 0.001 0.000 0.224 790 S C 1.803 176.437 174.600 0.056 0.000 1.029 790 S CA 0.446 58.668 58.200 0.037 0.000 0.988 790 S CB -0.175 63.040 63.200 0.024 0.000 0.838 790 S HN 0.234 nan 8.310 nan 0.000 0.462 791 L N 1.285 122.560 121.223 0.086 0.000 2.179 791 L HA 0.184 4.524 4.340 0.001 0.000 0.208 791 L C 1.913 178.950 176.870 0.279 0.000 1.096 791 L CA 1.119 56.060 54.840 0.168 0.000 0.779 791 L CB -0.592 41.578 42.059 0.185 0.000 0.922 791 L HN 0.212 nan 8.230 nan 0.000 0.443 792 L N -0.296 121.044 121.223 0.195 0.000 2.083 792 L HA -0.171 4.170 4.340 0.001 0.000 0.209 792 L C 2.700 179.697 176.870 0.212 0.000 1.083 792 L CA 2.089 57.055 54.840 0.210 0.000 0.752 792 L CB -0.956 41.161 42.059 0.097 0.000 0.899 792 L HN 0.591 nan 8.230 nan 0.000 0.433 793 S N -1.281 114.491 115.700 0.121 0.000 2.500 793 S HA -0.121 4.350 4.470 0.001 0.000 0.239 793 S C 1.877 176.496 174.600 0.031 0.000 0.989 793 S CA 0.358 58.598 58.200 0.067 0.000 0.951 793 S CB -0.516 62.702 63.200 0.031 0.000 0.759 793 S HN 0.471 nan 8.310 nan 0.000 0.523 794 R N -0.202 120.309 120.500 0.020 0.000 2.240 794 R HA 0.300 4.640 4.340 0.001 0.000 0.203 794 R C -0.394 175.711 176.300 -0.324 0.000 1.011 794 R CA 0.159 56.142 56.100 -0.196 0.000 1.007 794 R CB -0.389 29.706 30.300 -0.343 0.000 0.911 794 R HN 0.470 nan 8.270 nan 0.000 0.468 795 F N 2.370 122.323 119.950 0.005 0.000 2.397 795 F HA 0.319 4.846 4.527 0.001 0.000 0.331 795 F C -1.407 174.395 175.800 0.003 0.000 1.090 795 F CA -2.642 55.365 58.000 0.012 0.000 1.065 795 F CB 0.379 39.401 39.000 0.037 0.000 1.184 795 F HN -0.122 nan 8.300 nan 0.000 0.499 796 P HA -0.017 nan 4.420 nan 0.000 0.268 796 P C 0.453 177.809 177.300 0.094 0.000 1.208 796 P CA -0.037 63.116 63.100 0.089 0.000 0.777 796 P CB 0.904 32.651 31.700 0.078 0.000 0.875 797 E N 1.075 121.309 120.200 0.056 0.000 2.097 797 E HA -0.189 4.162 4.350 0.001 0.000 0.196 797 E C 0.881 177.507 176.600 0.044 0.000 1.000 797 E CA 0.821 57.248 56.400 0.046 0.000 0.804 797 E CB -0.399 29.319 29.700 0.028 0.000 0.740 797 E HN 0.528 nan 8.360 nan 0.000 0.454 798 N N 0.000 118.725 118.700 0.042 0.000 1.763 798 N HA 0.000 4.741 4.740 0.001 0.000 0.220 798 N CA 0.000 53.074 53.050 0.040 0.000 0.885 798 N CB 0.000 38.523 38.487 0.061 0.000 1.341 798 N HN 0.000 nan 8.380 nan 0.000 0.667