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 2erp_1_B DATA FIRST_RESID 185 DATA SEQUENCE SNLTPEQQRY LNAKKYVKLF LVADYIMYLK YGRNLTAVRT RMYDIVNVIT DATA SEQUENCE PIYHRMNIHV ALVGLEIWSN TDKIIVQSSA DVTLDLFAKW RATDLLSRKS DATA SEQUENCE HDNAQLLTGI NFNGPTAGLG YLGGIcNTMY SAGIVQDHSK IHHLVAIAMA DATA SEQUENCE HEMGHNLGMD HDKDTcTcGT RPcVMAGALS CEASFLFSDc SQKDHREFLI DATA SEQUENCE KNMPQcILKK PLKTDVVSPA VcGNYFVEVG EEcDcGSPRT cRDPccDATT DATA SEQUENCE cKLRQGAQcA EGLccDQcRF KGAGTEcRAA KDEcDMADVc TGRSAEcTDR DATA SEQUENCE FQRNGQPcKN NNGYcYNGKc PIMADQcIAL FGPGATVSQD AcFQFNREGN DATA SEQUENCE HYGYcRKEQN TKIAcEPQDV KcGRLYcFPN SPENKNPcNI YYSPNDEDKG DATA SEQUENCE MVLPGTKcAD RKAcSNGQcV DVTTPY 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 185 S HA 0.000 nan 4.470 nan 0.000 0.327 185 S C 0.000 174.604 174.600 0.007 0.000 1.055 185 S CA 0.000 58.205 58.200 0.009 0.000 1.107 185 S CB 0.000 63.205 63.200 0.008 0.000 0.593 186 N N 2.060 120.763 118.700 0.006 0.000 2.457 186 N HA 0.354 5.094 4.740 0.000 0.000 0.180 186 N C 0.058 175.570 175.510 0.003 0.000 1.050 186 N CA 0.459 53.511 53.050 0.004 0.000 0.906 186 N CB -0.221 38.268 38.487 0.003 0.000 0.968 186 N HN 0.540 nan 8.380 nan 0.000 0.445 187 L N 1.226 122.452 121.223 0.006 0.000 2.349 187 L HA 0.221 4.561 4.340 0.000 0.000 0.275 187 L C 0.830 177.705 176.870 0.008 0.000 1.115 187 L CA -0.736 54.107 54.840 0.006 0.000 0.820 187 L CB 0.531 42.599 42.059 0.014 0.000 1.135 187 L HN 0.150 nan 8.230 nan 0.000 0.445 188 T N -0.368 114.189 114.554 0.004 0.000 2.903 188 T HA 0.070 4.420 4.350 0.000 0.000 0.314 188 T C -1.774 172.936 174.700 0.017 0.000 1.078 188 T CA -1.214 60.890 62.100 0.006 0.000 1.114 188 T CB 0.624 69.490 68.868 -0.002 0.000 0.987 188 T HN 0.403 nan 8.240 nan 0.000 0.548 189 P HA -0.106 nan 4.420 nan 0.000 0.218 189 P C 1.397 178.720 177.300 0.039 0.000 1.146 189 P CA 1.102 64.218 63.100 0.027 0.000 0.813 189 P CB 0.107 31.821 31.700 0.024 0.000 0.778 190 E N -0.394 119.827 120.200 0.036 0.000 2.046 190 E HA -0.195 4.155 4.350 0.000 0.000 0.190 190 E C 1.999 178.646 176.600 0.079 0.000 0.982 190 E CA 0.857 57.288 56.400 0.051 0.000 0.800 190 E CB -0.215 29.500 29.700 0.025 0.000 0.756 190 E HN 0.247 nan 8.360 nan 0.000 0.449 191 Q N 0.100 119.930 119.800 0.050 0.000 2.030 191 Q HA -0.255 4.085 4.340 0.000 0.000 0.204 191 Q C 2.272 178.343 176.000 0.117 0.000 0.986 191 Q CA 1.785 57.632 55.803 0.073 0.000 0.843 191 Q CB -0.179 28.573 28.738 0.022 0.000 0.904 191 Q HN 0.158 nan 8.270 nan 0.000 0.420 192 Q N 1.126 120.968 119.800 0.070 0.000 2.096 192 Q HA -0.191 4.149 4.340 0.000 0.000 0.204 192 Q C 1.839 177.876 176.000 0.063 0.000 0.982 192 Q CA 1.779 57.616 55.803 0.056 0.000 0.850 192 Q CB -0.161 28.598 28.738 0.035 0.000 0.901 192 Q HN 0.213 nan 8.270 nan 0.000 0.422 193 R N -1.366 119.179 120.500 0.076 0.000 2.152 193 R HA -0.181 4.160 4.340 0.000 0.000 0.232 193 R C 2.026 178.383 176.300 0.096 0.000 1.117 193 R CA 1.342 57.486 56.100 0.074 0.000 0.981 193 R CB -0.418 29.928 30.300 0.076 0.000 0.870 193 R HN 0.439 nan 8.270 nan 0.000 0.451 194 Y N 0.714 121.020 120.300 0.011 0.000 2.184 194 Y HA -0.091 4.459 4.550 0.000 0.000 0.290 194 Y C 1.685 177.590 175.900 0.008 0.000 1.129 194 Y CA 1.569 59.676 58.100 0.012 0.000 1.144 194 Y CB -0.227 38.230 38.460 -0.004 0.000 0.995 194 Y HN -0.009 nan 8.280 nan 0.000 0.513 195 L N 0.400 121.610 121.223 -0.023 0.000 2.042 195 L HA -0.278 4.062 4.340 0.000 0.000 0.210 195 L C 2.028 178.822 176.870 -0.127 0.000 1.076 195 L CA 1.522 56.295 54.840 -0.112 0.000 0.749 195 L CB -0.699 41.357 42.059 -0.004 0.000 0.893 195 L HN 0.305 nan 8.230 nan 0.000 0.432 196 N N 0.490 119.152 118.700 -0.063 0.000 2.381 196 N HA -0.023 4.717 4.740 0.000 0.000 0.182 196 N C 0.842 176.319 175.510 -0.055 0.000 1.025 196 N CA 0.772 53.797 53.050 -0.042 0.000 0.888 196 N CB -0.219 38.264 38.487 -0.007 0.000 0.965 196 N HN 0.227 nan 8.380 nan 0.000 0.438 197 A N 1.811 124.578 122.820 -0.089 0.000 2.524 197 A HA 0.066 4.386 4.320 0.000 0.000 0.250 197 A C 0.303 177.839 177.584 -0.081 0.000 1.078 197 A CA -0.130 51.867 52.037 -0.065 0.000 0.761 197 A CB 0.069 19.021 19.000 -0.081 0.000 1.012 197 A HN 0.142 nan 8.150 nan 0.000 0.500 198 K N 2.115 122.510 120.400 -0.010 0.000 2.485 198 K HA 0.120 4.440 4.320 0.000 0.000 0.277 198 K C -0.128 176.410 176.600 -0.104 0.000 0.990 198 K CA 0.177 56.424 56.287 -0.067 0.000 0.994 198 K CB 0.377 32.854 32.500 -0.039 0.000 0.906 198 K HN 0.486 nan 8.250 nan 0.000 0.488 199 K N 2.497 122.769 120.400 -0.213 0.000 2.123 199 K HA 0.376 4.696 4.320 0.000 0.000 0.259 199 K C -0.846 175.570 176.600 -0.306 0.000 0.960 199 K CA -0.605 55.605 56.287 -0.129 0.000 0.872 199 K CB 1.018 33.487 32.500 -0.051 0.000 1.079 199 K HN 0.407 nan 8.250 nan 0.000 0.440 200 Y N -0.718 119.619 120.300 0.061 0.000 2.421 200 Y HA 0.314 4.864 4.550 0.000 0.000 0.339 200 Y C -0.256 175.642 175.900 -0.003 0.000 0.996 200 Y CA -1.054 57.078 58.100 0.054 0.000 1.046 200 Y CB 1.989 40.502 38.460 0.088 0.000 1.226 200 Y HN 0.082 nan 8.280 nan 0.000 0.445 201 V N 4.157 124.105 119.914 0.057 0.000 2.266 201 V HA 0.246 4.366 4.120 0.000 0.000 0.271 201 V C -0.460 175.631 176.094 -0.006 0.000 1.032 201 V CA -1.332 60.960 62.300 -0.013 0.000 0.806 201 V CB 0.503 32.236 31.823 -0.151 0.000 1.052 201 V HN 0.627 nan 8.190 nan 0.000 0.449 202 K N 4.500 124.935 120.400 0.058 0.000 2.307 202 K HA 0.229 4.549 4.320 0.000 0.000 0.285 202 K C -0.386 176.289 176.600 0.124 0.000 1.073 202 K CA -0.277 56.056 56.287 0.076 0.000 0.996 202 K CB 0.544 33.110 32.500 0.109 0.000 0.994 202 K HN 0.389 nan 8.250 nan 0.000 0.452 203 L N 3.411 124.684 121.223 0.082 0.000 2.357 203 L HA 0.429 4.769 4.340 0.000 0.000 0.273 203 L C -1.022 175.958 176.870 0.185 0.000 1.080 203 L CA -0.281 54.638 54.840 0.132 0.000 0.803 203 L CB 0.598 42.679 42.059 0.038 0.000 1.174 203 L HN 0.493 nan 8.230 nan 0.000 0.443 204 F N 5.513 125.512 119.950 0.081 0.000 2.513 204 F HA 0.496 5.023 4.527 0.000 0.000 0.358 204 F C -1.088 174.741 175.800 0.048 0.000 1.118 204 F CA -0.640 57.355 58.000 -0.008 0.000 1.037 204 F CB 0.790 39.619 39.000 -0.285 0.000 1.276 204 F HN 0.317 nan 8.300 nan 0.000 0.446 205 L N 5.819 126.899 121.223 -0.239 0.000 2.395 205 L HA 0.626 4.966 4.340 0.000 0.000 0.269 205 L C -0.712 176.033 176.870 -0.209 0.000 1.133 205 L CA -0.918 53.841 54.840 -0.135 0.000 0.812 205 L CB 1.486 43.453 42.059 -0.154 0.000 1.125 205 L HN 0.277 nan 8.230 nan 0.000 0.452 206 V N 1.805 121.648 119.914 -0.119 0.000 2.569 206 V HA 0.547 4.667 4.120 0.000 0.000 0.301 206 V C -0.193 175.634 176.094 -0.446 0.000 1.044 206 V CA -0.626 61.510 62.300 -0.273 0.000 0.874 206 V CB 1.713 33.437 31.823 -0.165 0.000 1.002 206 V HN 0.843 nan 8.190 nan 0.000 0.424 207 A N 3.845 126.383 122.820 -0.470 0.000 2.276 207 A HA 0.744 5.065 4.320 0.000 0.000 0.316 207 A C -0.101 177.235 177.584 -0.412 0.000 1.229 207 A CA -0.585 51.229 52.037 -0.372 0.000 0.851 207 A CB 0.568 19.410 19.000 -0.263 0.000 1.165 207 A HN 0.892 nan 8.150 nan 0.000 0.513 208 D N 1.467 121.704 120.400 -0.271 0.000 2.411 208 D HA -0.013 4.627 4.640 0.000 0.000 0.251 208 D C 0.877 177.289 176.300 0.187 0.000 1.201 208 D CA -0.416 53.581 54.000 -0.005 0.000 0.996 208 D CB 0.274 41.116 40.800 0.070 0.000 1.101 208 D HN 0.470 nan 8.370 nan 0.000 0.504 209 Y N 0.433 120.858 120.300 0.208 0.000 2.139 209 Y HA -0.240 4.310 4.550 0.000 0.000 0.282 209 Y C 2.098 178.103 175.900 0.175 0.000 1.179 209 Y CA 1.647 59.866 58.100 0.198 0.000 1.161 209 Y CB -0.409 38.150 38.460 0.164 0.000 0.970 209 Y HN 0.397 nan 8.280 nan 0.000 0.511 210 I N -0.872 119.722 120.570 0.040 0.000 2.361 210 I HA -0.348 3.822 4.170 0.000 0.000 0.251 210 I C 2.268 178.353 176.117 -0.054 0.000 1.133 210 I CA 0.981 62.232 61.300 -0.082 0.000 1.413 210 I CB -0.403 37.582 38.000 -0.025 0.000 1.073 210 I HN 0.278 nan 8.210 nan 0.000 0.424 211 M N -0.315 119.292 119.600 0.012 0.000 2.117 211 M HA -0.238 4.242 4.480 0.000 0.000 0.262 211 M C 2.471 178.846 176.300 0.125 0.000 1.065 211 M CA 1.889 57.229 55.300 0.066 0.000 1.114 211 M CB -1.231 31.351 32.600 -0.029 0.000 1.361 211 M HN 0.251 nan 8.290 nan 0.000 0.408 212 Y N 1.453 121.711 120.300 -0.069 0.000 2.145 212 Y HA -0.198 4.352 4.550 0.000 0.000 0.286 212 Y C 2.114 177.957 175.900 -0.095 0.000 1.145 212 Y CA 1.677 59.735 58.100 -0.071 0.000 1.148 212 Y CB -0.600 37.820 38.460 -0.066 0.000 0.981 212 Y HN 0.112 nan 8.280 nan 0.000 0.507 213 L N 0.159 121.191 121.223 -0.318 0.000 2.027 213 L HA -0.214 4.126 4.340 0.000 0.000 0.206 213 L C 2.550 179.271 176.870 -0.249 0.000 1.074 213 L CA 1.885 56.488 54.840 -0.394 0.000 0.745 213 L CB -0.763 41.056 42.059 -0.399 0.000 0.898 213 L HN 0.124 nan 8.230 nan 0.000 0.433 214 K N 0.221 120.534 120.400 -0.146 0.000 2.160 214 K HA -0.214 4.106 4.320 0.000 0.000 0.206 214 K C 0.579 176.981 176.600 -0.329 0.000 1.047 214 K CA 1.595 57.776 56.287 -0.177 0.000 0.930 214 K CB -0.033 32.427 32.500 -0.066 0.000 0.720 214 K HN 0.226 nan 8.250 nan 0.000 0.450 215 Y N 0.202 120.394 120.300 -0.181 0.000 2.833 215 Y HA 0.283 4.833 4.550 0.000 0.000 0.339 215 Y C 0.648 176.428 175.900 -0.200 0.000 1.032 215 Y CA -0.249 57.757 58.100 -0.157 0.000 1.450 215 Y CB 0.746 39.134 38.460 -0.121 0.000 1.296 215 Y HN 0.228 nan 8.280 nan 0.000 0.535 216 G N 1.503 110.198 108.800 -0.175 0.000 2.356 216 G HA2 -0.392 3.568 3.960 0.000 0.000 0.296 216 G HA3 -0.392 3.568 3.960 0.000 0.000 0.296 216 G C 0.660 175.383 174.900 -0.295 0.000 1.022 216 G CA 0.445 45.424 45.100 -0.200 0.000 0.961 216 G HN 0.656 nan 8.290 nan 0.000 0.510 217 R N -1.939 118.194 120.500 -0.612 0.000 3.502 217 R HA -0.257 4.084 4.340 0.000 0.000 0.266 217 R C 0.308 176.388 176.300 -0.367 0.000 1.077 217 R CA 1.112 56.530 56.100 -1.136 0.000 0.718 217 R CB -1.482 28.436 30.300 -0.637 0.000 1.120 217 R HN 0.577 nan 8.270 nan 0.000 0.457 218 N N 0.811 119.417 118.700 -0.158 0.000 2.800 218 N HA 0.185 4.925 4.740 0.000 0.000 0.240 218 N C 0.903 176.473 175.510 0.100 0.000 1.096 218 N CA -0.442 52.626 53.050 0.030 0.000 0.877 218 N CB 0.620 39.108 38.487 0.003 0.000 1.138 218 N HN 0.175 nan 8.380 nan 0.000 0.509 219 L N 0.848 122.191 121.223 0.199 0.000 2.137 219 L HA -0.230 4.110 4.340 0.000 0.000 0.213 219 L C 1.656 178.521 176.870 -0.009 0.000 1.085 219 L CA 1.353 56.262 54.840 0.115 0.000 0.760 219 L CB -0.523 41.588 42.059 0.086 0.000 0.893 219 L HN 0.464 nan 8.230 nan 0.000 0.434 220 T N -0.409 114.144 114.554 -0.001 0.000 2.777 220 T HA -0.117 4.233 4.350 0.000 0.000 0.266 220 T C 2.042 176.692 174.700 -0.084 0.000 1.040 220 T CA 1.219 63.296 62.100 -0.039 0.000 1.141 220 T CB -0.159 68.709 68.868 -0.001 0.000 0.868 220 T HN 0.478 nan 8.240 nan 0.000 0.444 221 A N 1.173 123.965 122.820 -0.047 0.000 1.855 221 A HA -0.038 4.282 4.320 0.000 0.000 0.215 221 A C 2.587 180.034 177.584 -0.229 0.000 1.191 221 A CA 1.414 53.422 52.037 -0.049 0.000 0.613 221 A CB -1.101 17.951 19.000 0.086 0.000 0.829 221 A HN 0.324 nan 8.150 nan 0.000 0.442 222 V N 0.206 119.961 119.914 -0.265 0.000 2.255 222 V HA -0.310 3.810 4.120 0.000 0.000 0.247 222 V C 2.662 178.486 176.094 -0.450 0.000 1.051 222 V CA 2.471 64.496 62.300 -0.458 0.000 1.018 222 V CB -0.896 30.788 31.823 -0.233 0.000 0.641 222 V HN 0.654 nan 8.190 nan 0.000 0.445 223 R N -0.226 120.039 120.500 -0.393 0.000 2.083 223 R HA -0.193 4.147 4.340 0.000 0.000 0.237 223 R C 2.402 178.181 176.300 -0.869 0.000 1.137 223 R CA 2.265 57.998 56.100 -0.612 0.000 0.951 223 R CB -0.558 29.438 30.300 -0.507 0.000 0.851 223 R HN 0.567 nan 8.270 nan 0.000 0.434 224 T N 0.428 114.662 114.554 -0.533 0.000 2.746 224 T HA -0.168 4.182 4.350 0.000 0.000 0.267 224 T C 1.669 176.198 174.700 -0.286 0.000 1.039 224 T CA 1.604 63.508 62.100 -0.327 0.000 1.142 224 T CB -0.283 68.509 68.868 -0.127 0.000 0.866 224 T HN 0.244 nan 8.240 nan 0.000 0.444 225 R N 1.338 121.632 120.500 -0.344 0.000 2.083 225 R HA 0.017 4.357 4.340 0.000 0.000 0.237 225 R C 2.263 178.389 176.300 -0.290 0.000 1.137 225 R CA 1.749 57.651 56.100 -0.328 0.000 0.951 225 R CB -0.641 29.331 30.300 -0.546 0.000 0.851 225 R HN 0.413 nan 8.270 nan 0.000 0.434 226 M N -1.086 118.313 119.600 -0.335 0.000 2.099 226 M HA -0.163 4.317 4.480 0.000 0.000 0.262 226 M C 2.040 178.293 176.300 -0.077 0.000 1.067 226 M CA 1.839 57.001 55.300 -0.230 0.000 1.124 226 M CB -0.530 31.902 32.600 -0.280 0.000 1.353 226 M HN 0.214 nan 8.290 nan 0.000 0.410 227 Y N 0.861 121.065 120.300 -0.159 0.000 2.114 227 Y HA -0.332 4.218 4.550 0.000 0.000 0.282 227 Y C 2.408 178.214 175.900 -0.157 0.000 1.165 227 Y CA 0.454 58.476 58.100 -0.131 0.000 1.148 227 Y CB -0.484 37.912 38.460 -0.107 0.000 0.972 227 Y HN 0.321 nan 8.280 nan 0.000 0.504 228 D N 0.580 120.937 120.400 -0.073 0.000 2.092 228 D HA -0.206 4.434 4.640 0.000 0.000 0.193 228 D C 2.093 178.239 176.300 -0.256 0.000 0.994 228 D CA 1.534 55.355 54.000 -0.298 0.000 0.828 228 D CB -0.511 39.876 40.800 -0.690 0.000 0.963 228 D HN 0.364 nan 8.370 nan 0.000 0.450 229 I N 0.980 121.435 120.570 -0.192 0.000 2.236 229 I HA -0.264 3.906 4.170 0.000 0.000 0.249 229 I C 2.447 178.565 176.117 0.002 0.000 1.102 229 I CA 0.766 62.041 61.300 -0.043 0.000 1.365 229 I CB -0.240 37.740 38.000 -0.034 0.000 1.051 229 I HN -0.092 nan 8.210 nan 0.000 0.420 230 V N 0.936 120.846 119.914 -0.006 0.000 2.427 230 V HA -0.210 3.910 4.120 0.000 0.000 0.248 230 V C 1.948 178.049 176.094 0.012 0.000 1.051 230 V CA 1.648 63.953 62.300 0.008 0.000 1.048 230 V CB -0.814 31.015 31.823 0.009 0.000 0.666 230 V HN 0.477 nan 8.190 nan 0.000 0.456 231 N N 0.195 118.896 118.700 0.002 0.000 2.519 231 N HA -0.082 4.658 4.740 0.000 0.000 0.186 231 N C 1.508 177.042 175.510 0.039 0.000 1.062 231 N CA 1.021 54.084 53.050 0.020 0.000 0.910 231 N CB 0.190 38.676 38.487 -0.001 0.000 0.958 231 N HN 0.420 nan 8.380 nan 0.000 0.445 232 V N 0.542 120.486 119.914 0.051 0.000 2.922 232 V HA 0.105 4.225 4.120 0.000 0.000 0.242 232 V C 2.165 178.334 176.094 0.125 0.000 1.094 232 V CA 0.290 62.650 62.300 0.100 0.000 1.106 232 V CB 0.137 32.062 31.823 0.170 0.000 0.799 232 V HN 0.099 nan 8.190 nan 0.000 0.474 233 I N 0.383 121.018 120.570 0.110 0.000 2.252 233 I HA -0.203 3.967 4.170 0.000 0.000 0.245 233 I C 2.558 178.745 176.117 0.118 0.000 1.102 233 I CA 1.667 63.052 61.300 0.142 0.000 1.385 233 I CB -0.555 37.535 38.000 0.150 0.000 1.064 233 I HN 0.301 nan 8.210 nan 0.000 0.414 234 T N 2.101 116.667 114.554 0.020 0.000 2.607 234 T HA -0.116 4.234 4.350 0.000 0.000 0.267 234 T C -0.410 174.188 174.700 -0.170 0.000 1.049 234 T CA 1.962 63.988 62.100 -0.124 0.000 1.162 234 T CB -1.466 67.359 68.868 -0.072 0.000 0.863 234 T HN 0.315 nan 8.240 nan 0.000 0.424 235 P HA -0.015 nan 4.420 nan 0.000 0.219 235 P C 1.552 178.906 177.300 0.091 0.000 1.146 235 P CA 1.058 64.278 63.100 0.201 0.000 0.808 235 P CB -0.247 31.532 31.700 0.132 0.000 0.779 236 I N -1.484 119.106 120.570 0.033 0.000 2.163 236 I HA -0.243 3.927 4.170 0.000 0.000 0.240 236 I C 2.416 178.520 176.117 -0.022 0.000 1.081 236 I CA 1.612 62.896 61.300 -0.027 0.000 1.353 236 I CB -0.830 37.106 38.000 -0.107 0.000 1.054 236 I HN -0.134 nan 8.210 nan 0.000 0.407 237 Y N 0.158 120.497 120.300 0.064 0.000 2.616 237 Y HA -0.137 4.413 4.550 0.000 0.000 0.296 237 Y C 2.497 178.399 175.900 0.004 0.000 1.154 237 Y CA 0.712 58.852 58.100 0.066 0.000 1.325 237 Y CB -0.586 37.853 38.460 -0.034 0.000 1.007 237 Y HN 0.232 nan 8.280 nan 0.000 0.542 238 H N -0.094 119.052 119.070 0.127 0.000 2.389 238 H HA -0.019 4.537 4.556 0.000 0.000 0.299 238 H C 1.693 177.018 175.328 -0.006 0.000 1.081 238 H CA 1.160 57.209 56.048 0.001 0.000 1.345 238 H CB 0.047 29.715 29.762 -0.155 0.000 1.393 238 H HN 0.313 nan 8.280 nan 0.000 0.520 239 R N -0.034 120.558 120.500 0.154 0.000 2.357 239 R HA -0.001 4.339 4.340 0.000 0.000 0.202 239 R C 0.776 177.162 176.300 0.144 0.000 1.047 239 R CA 0.364 56.534 56.100 0.117 0.000 1.034 239 R CB 0.232 30.600 30.300 0.114 0.000 0.875 239 R HN 0.190 nan 8.270 nan 0.000 0.473 240 M N -0.169 119.534 119.600 0.171 0.000 2.416 240 M HA 0.126 4.606 4.480 0.000 0.000 0.337 240 M C -0.435 175.958 176.300 0.154 0.000 1.074 240 M CA -0.050 55.357 55.300 0.178 0.000 0.968 240 M CB 0.185 32.910 32.600 0.207 0.000 1.472 240 M HN -0.016 nan 8.290 nan 0.000 0.539 241 N N 1.629 120.393 118.700 0.107 0.000 2.740 241 N HA -0.166 4.574 4.740 0.000 0.000 0.248 241 N C -1.045 174.486 175.510 0.034 0.000 1.062 241 N CA 0.681 53.763 53.050 0.053 0.000 0.704 241 N CB -1.257 37.240 38.487 0.017 0.000 0.968 241 N HN 0.459 nan 8.380 nan 0.000 0.547 242 I N -0.380 120.235 120.570 0.074 0.000 2.534 242 I HA 0.174 4.344 4.170 0.000 0.000 0.288 242 I C -0.295 175.815 176.117 -0.011 0.000 1.077 242 I CA -0.878 60.427 61.300 0.008 0.000 1.051 242 I CB 1.735 39.752 38.000 0.029 0.000 1.234 242 I HN 0.102 nan 8.210 nan 0.000 0.425 243 H N 6.015 124.977 119.070 -0.180 0.000 2.581 243 H HA 0.464 5.020 4.556 0.000 0.000 0.308 243 H C -1.144 174.092 175.328 -0.155 0.000 1.040 243 H CA -0.377 55.571 56.048 -0.167 0.000 1.231 243 H CB 1.100 30.822 29.762 -0.067 0.000 1.396 243 H HN 0.251 nan 8.280 nan 0.000 0.467 244 V N 4.739 124.270 119.914 -0.638 0.000 2.470 244 V HA 0.443 4.563 4.120 0.000 0.000 0.276 244 V C 0.348 176.047 176.094 -0.658 0.000 1.040 244 V CA 0.250 62.260 62.300 -0.484 0.000 1.008 244 V CB 0.451 32.090 31.823 -0.306 0.000 0.990 244 V HN 0.968 nan 8.190 nan 0.000 0.477 245 A N 5.767 128.356 122.820 -0.385 0.000 2.332 245 A HA 0.679 4.999 4.320 0.000 0.000 0.300 245 A C -0.766 176.742 177.584 -0.127 0.000 1.153 245 A CA -0.660 51.194 52.037 -0.304 0.000 0.764 245 A CB 1.019 19.839 19.000 -0.299 0.000 1.174 245 A HN 0.785 nan 8.150 nan 0.000 0.467 246 L N 4.658 125.823 121.223 -0.096 0.000 2.536 246 L HA 0.237 4.577 4.340 0.000 0.000 0.282 246 L C 1.112 177.975 176.870 -0.012 0.000 1.147 246 L CA 0.471 55.284 54.840 -0.045 0.000 0.936 246 L CB 0.553 42.590 42.059 -0.037 0.000 1.279 246 L HN 0.750 nan 8.230 nan 0.000 0.461 247 V N 1.986 121.921 119.914 0.035 0.000 3.649 247 V HA 0.644 4.764 4.120 0.000 0.000 0.275 247 V C 0.764 176.926 176.094 0.113 0.000 1.281 247 V CA 0.598 62.949 62.300 0.086 0.000 1.143 247 V CB -0.718 31.184 31.823 0.132 0.000 0.892 247 V HN 0.752 nan 8.190 nan 0.000 0.441 248 G N -0.410 108.389 108.800 -0.002 0.000 2.601 248 G HA2 0.625 4.585 3.960 0.000 0.000 0.291 248 G HA3 0.625 4.585 3.960 0.000 0.000 0.291 248 G C -2.062 172.380 174.900 -0.764 0.000 1.456 248 G CA -0.459 44.523 45.100 -0.196 0.000 0.804 248 G HN 0.488 nan 8.290 nan 0.000 0.499 249 L N 0.042 120.770 121.223 -0.824 0.000 2.611 249 L HA 0.764 5.104 4.340 0.000 0.000 0.260 249 L C -1.550 175.077 176.870 -0.405 0.000 0.924 249 L CA -0.598 53.845 54.840 -0.661 0.000 0.901 249 L CB 2.261 44.160 42.059 -0.266 0.000 1.369 249 L HN 0.750 nan 8.230 nan 0.000 0.415 250 E N 5.012 125.024 120.200 -0.314 0.000 2.263 250 E HA 0.538 4.888 4.350 0.000 0.000 0.268 250 E C -1.687 174.824 176.600 -0.149 0.000 0.884 250 E CA -0.611 55.778 56.400 -0.019 0.000 0.766 250 E CB 2.024 31.940 29.700 0.359 0.000 1.196 250 E HN 0.596 nan 8.360 nan 0.000 0.416 251 I N 4.020 124.548 120.570 -0.070 0.000 2.382 251 I HA 0.239 4.409 4.170 0.000 0.000 0.285 251 I C -0.461 175.695 176.117 0.066 0.000 1.007 251 I CA -0.850 60.385 61.300 -0.108 0.000 1.142 251 I CB 0.807 38.750 38.000 -0.095 0.000 1.289 251 I HN 0.520 nan 8.210 nan 0.000 0.453 252 W N 5.749 127.034 121.300 -0.025 0.000 1.371 252 W HA 0.087 4.747 4.660 0.000 0.000 0.482 252 W C 1.661 178.174 176.519 -0.010 0.000 0.640 252 W CA -0.601 56.730 57.345 -0.024 0.000 2.164 252 W CB -0.966 28.481 29.460 -0.023 0.000 1.613 252 W HN 0.639 nan 8.180 nan 0.000 0.212 253 S N -0.486 115.215 115.700 0.001 0.000 2.436 253 S HA -0.177 4.293 4.470 0.000 0.000 0.228 253 S C 1.394 175.925 174.600 -0.116 0.000 1.014 253 S CA 1.058 59.008 58.200 -0.417 0.000 0.950 253 S CB -0.045 62.533 63.200 -1.037 0.000 0.784 253 S HN 0.279 nan 8.310 nan 0.000 0.504 254 N N 0.769 119.443 118.700 -0.043 0.000 2.376 254 N HA 0.206 4.946 4.740 0.000 0.000 0.177 254 N C 0.186 175.628 175.510 -0.113 0.000 1.024 254 N CA 0.913 53.940 53.050 -0.039 0.000 0.893 254 N CB 0.482 38.944 38.487 -0.043 0.000 0.980 254 N HN 0.477 nan 8.380 nan 0.000 0.439 255 T N -0.908 113.580 114.554 -0.109 0.000 3.066 255 T HA -0.033 4.317 4.350 0.000 0.000 0.358 255 T C -2.196 172.398 174.700 -0.177 0.000 1.838 255 T CA -0.861 61.077 62.100 -0.269 0.000 1.057 255 T CB 0.135 68.834 68.868 -0.282 0.000 1.814 255 T HN -0.136 nan 8.240 nan 0.000 0.515 256 D N 2.172 122.477 120.400 -0.159 0.000 2.400 256 D HA 0.241 4.882 4.640 0.000 0.000 0.238 256 D C 0.836 176.665 176.300 -0.784 0.000 1.157 256 D CA 0.049 53.895 54.000 -0.257 0.000 0.889 256 D CB 0.928 41.726 40.800 -0.004 0.000 1.199 256 D HN 0.443 nan 8.370 nan 0.000 0.436 257 K N 0.501 119.859 120.400 -1.737 0.000 2.373 257 K HA 0.245 4.565 4.320 0.000 0.000 0.202 257 K C 0.215 176.233 176.600 -0.970 0.000 1.025 257 K CA 0.020 55.465 56.287 -1.404 0.000 1.115 257 K CB 0.321 31.745 32.500 -1.793 0.000 0.858 257 K HN 0.441 nan 8.250 nan 0.000 0.525 258 I N -3.132 117.022 120.570 -0.693 0.000 2.918 258 I HA 0.357 4.527 4.170 0.000 0.000 0.301 258 I C -0.833 175.248 176.117 -0.060 0.000 1.312 258 I CA -1.077 60.090 61.300 -0.221 0.000 1.007 258 I CB 1.771 39.769 38.000 -0.002 0.000 1.281 258 I HN -0.193 nan 8.210 nan 0.000 0.440 259 I N 4.884 125.463 120.570 0.015 0.000 2.366 259 I HA 0.090 4.260 4.170 0.000 0.000 0.302 259 I C -0.061 176.117 176.117 0.102 0.000 1.194 259 I CA -0.253 61.074 61.300 0.043 0.000 1.667 259 I CB 0.195 38.220 38.000 0.042 0.000 1.501 259 I HN 0.308 nan 8.210 nan 0.000 0.776 260 V N 7.184 127.174 119.914 0.126 0.000 2.485 260 V HA 0.007 4.127 4.120 0.000 0.000 0.287 260 V C 0.522 176.693 176.094 0.129 0.000 1.022 260 V CA 0.145 62.543 62.300 0.164 0.000 1.067 260 V CB 0.357 32.285 31.823 0.174 0.000 0.967 260 V HN 0.730 nan 8.190 nan 0.000 0.479 261 Q N 3.243 123.139 119.800 0.160 0.000 2.587 261 Q HA 0.514 4.854 4.340 0.000 0.000 0.293 261 Q C 0.539 176.650 176.000 0.186 0.000 1.083 261 Q CA -0.796 55.086 55.803 0.132 0.000 0.792 261 Q CB 1.564 30.370 28.738 0.113 0.000 1.484 261 Q HN 0.306 nan 8.270 nan 0.000 0.446 262 S N 0.470 116.251 115.700 0.135 0.000 2.440 262 S HA -0.113 4.357 4.470 0.000 0.000 0.238 262 S C 0.950 175.718 174.600 0.280 0.000 1.010 262 S CA 1.226 59.527 58.200 0.169 0.000 0.972 262 S CB -0.158 63.099 63.200 0.095 0.000 0.774 262 S HN 0.581 nan 8.310 nan 0.000 0.501 263 S N 1.242 117.067 115.700 0.209 0.000 2.498 263 S HA 0.478 4.948 4.470 0.000 0.000 0.314 263 S C 1.203 175.874 174.600 0.119 0.000 1.141 263 S CA -0.151 58.136 58.200 0.145 0.000 1.087 263 S CB 0.442 63.699 63.200 0.094 0.000 1.178 263 S HN 0.376 nan 8.310 nan 0.000 0.533 264 A N 4.785 127.592 122.820 -0.022 0.000 1.948 264 A HA -0.137 4.183 4.320 0.000 0.000 0.220 264 A C 1.931 179.349 177.584 -0.277 0.000 1.177 264 A CA 1.897 53.616 52.037 -0.530 0.000 0.636 264 A CB -0.526 17.991 19.000 -0.805 0.000 0.815 264 A HN 0.829 nan 8.150 nan 0.000 0.449 265 D N -0.187 120.135 120.400 -0.130 0.000 2.084 265 D HA -0.118 4.522 4.640 0.000 0.000 0.194 265 D C 2.147 178.450 176.300 0.005 0.000 0.990 265 D CA 1.761 55.720 54.000 -0.068 0.000 0.826 265 D CB -0.508 40.278 40.800 -0.023 0.000 0.971 265 D HN 0.250 nan 8.370 nan 0.000 0.453 266 V N 1.430 121.371 119.914 0.044 0.000 2.343 266 V HA -0.229 3.891 4.120 0.000 0.000 0.247 266 V C 2.604 178.772 176.094 0.124 0.000 1.051 266 V CA 1.921 64.275 62.300 0.090 0.000 1.036 266 V CB -0.928 30.950 31.823 0.092 0.000 0.654 266 V HN 0.210 nan 8.190 nan 0.000 0.451 267 T N 0.573 115.202 114.554 0.125 0.000 2.684 267 T HA -0.230 4.120 4.350 0.000 0.000 0.267 267 T C 1.898 176.719 174.700 0.201 0.000 1.036 267 T CA 1.998 64.208 62.100 0.184 0.000 1.148 267 T CB -0.405 68.615 68.868 0.253 0.000 0.863 267 T HN 0.298 nan 8.240 nan 0.000 0.436 268 L N 1.662 122.940 121.223 0.091 0.000 1.989 268 L HA -0.112 4.228 4.340 0.000 0.000 0.211 268 L C 2.159 179.195 176.870 0.276 0.000 1.071 268 L CA 2.096 57.003 54.840 0.111 0.000 0.749 268 L CB -0.925 41.043 42.059 -0.152 0.000 0.890 268 L HN 0.160 nan 8.230 nan 0.000 0.431 269 D N -0.729 119.817 120.400 0.244 0.000 2.103 269 D HA -0.250 4.390 4.640 0.000 0.000 0.190 269 D C 2.191 178.660 176.300 0.281 0.000 0.997 269 D CA 2.234 56.424 54.000 0.316 0.000 0.833 269 D CB -0.306 40.631 40.800 0.227 0.000 0.961 269 D HN 0.424 nan 8.370 nan 0.000 0.447 270 L N -0.699 120.676 121.223 0.253 0.000 2.079 270 L HA -0.137 4.203 4.340 0.000 0.000 0.210 270 L C 2.430 179.518 176.870 0.365 0.000 1.081 270 L CA 0.904 55.897 54.840 0.254 0.000 0.752 270 L CB -0.615 41.574 42.059 0.216 0.000 0.896 270 L HN 0.103 nan 8.230 nan 0.000 0.433 271 F N 0.997 121.111 119.950 0.272 0.000 2.102 271 F HA -0.193 4.334 4.527 0.000 0.000 0.298 271 F C 2.461 178.515 175.800 0.424 0.000 1.105 271 F CA 1.083 59.306 58.000 0.372 0.000 1.239 271 F CB -0.443 38.738 39.000 0.303 0.000 0.991 271 F HN -0.008 nan 8.300 nan 0.000 0.474 272 A N 0.587 123.575 122.820 0.281 0.000 1.865 272 A HA -0.236 4.084 4.320 0.000 0.000 0.217 272 A C 2.291 179.873 177.584 -0.003 0.000 1.191 272 A CA 2.099 54.210 52.037 0.123 0.000 0.623 272 A CB -0.796 18.387 19.000 0.305 0.000 0.826 272 A HN 0.460 nan 8.150 nan 0.000 0.444 273 K N -1.781 118.655 120.400 0.060 0.000 2.044 273 K HA -0.252 4.069 4.320 0.000 0.000 0.210 273 K C 1.851 178.463 176.600 0.020 0.000 1.049 273 K CA 1.808 58.101 56.287 0.010 0.000 0.927 273 K CB -0.383 32.154 32.500 0.061 0.000 0.713 273 K HN 0.727 nan 8.250 nan 0.000 0.443 274 W N 2.460 123.729 121.300 -0.051 0.000 2.338 274 W HA -0.201 4.459 4.660 0.000 0.000 0.304 274 W C 2.160 178.615 176.519 -0.106 0.000 1.212 274 W CA 1.369 58.684 57.345 -0.051 0.000 1.264 274 W CB -0.097 29.378 29.460 0.025 0.000 1.142 274 W HN -0.081 nan 8.180 nan 0.000 0.512 275 R N 0.744 121.079 120.500 -0.276 0.000 2.152 275 R HA -0.125 4.215 4.340 0.000 0.000 0.232 275 R C 1.920 177.978 176.300 -0.403 0.000 1.117 275 R CA 1.637 57.429 56.100 -0.513 0.000 0.981 275 R CB -0.757 29.332 30.300 -0.350 0.000 0.870 275 R HN 0.317 nan 8.270 nan 0.000 0.451 276 A N -0.289 122.357 122.820 -0.291 0.000 1.935 276 A HA -0.076 4.244 4.320 0.000 0.000 0.214 276 A C 2.050 179.489 177.584 -0.242 0.000 1.178 276 A CA 1.638 53.528 52.037 -0.245 0.000 0.640 276 A CB -0.332 18.540 19.000 -0.213 0.000 0.825 276 A HN 0.554 nan 8.150 nan 0.000 0.447 277 T N -3.775 110.625 114.554 -0.256 0.000 3.034 277 T HA 0.070 4.420 4.350 0.000 0.000 0.248 277 T C 1.398 175.929 174.700 -0.281 0.000 1.040 277 T CA 1.206 63.176 62.100 -0.216 0.000 1.107 277 T CB -0.040 68.745 68.868 -0.139 0.000 0.932 277 T HN 0.311 nan 8.240 nan 0.000 0.474 278 D N 0.552 120.662 120.400 -0.482 0.000 2.429 278 D HA 0.150 4.790 4.640 0.000 0.000 0.242 278 D C 1.919 177.862 176.300 -0.594 0.000 1.076 278 D CA 0.193 53.864 54.000 -0.548 0.000 0.955 278 D CB -0.260 40.056 40.800 -0.806 0.000 1.076 278 D HN 0.119 nan 8.370 nan 0.000 0.448 279 L N 0.807 121.434 121.223 -0.993 0.000 1.970 279 L HA -0.050 4.290 4.340 0.000 0.000 0.212 279 L C 2.103 178.716 176.870 -0.429 0.000 1.071 279 L CA 1.658 56.031 54.840 -0.778 0.000 0.751 279 L CB -0.801 40.613 42.059 -1.075 0.000 0.889 279 L HN 0.249 nan 8.230 nan 0.000 0.432 280 L N -0.901 120.134 121.223 -0.312 0.000 2.349 280 L HA -0.193 4.148 4.340 0.000 0.000 0.220 280 L C 2.525 179.298 176.870 -0.162 0.000 1.130 280 L CA 1.232 55.971 54.840 -0.167 0.000 0.791 280 L CB -0.501 41.444 42.059 -0.191 0.000 0.918 280 L HN 0.424 nan 8.230 nan 0.000 0.444 281 S N 0.117 115.698 115.700 -0.199 0.000 2.489 281 S HA -0.072 4.398 4.470 0.000 0.000 0.228 281 S C 1.845 176.379 174.600 -0.110 0.000 0.995 281 S CA 0.667 58.781 58.200 -0.144 0.000 0.934 281 S CB 0.043 63.153 63.200 -0.150 0.000 0.771 281 S HN 0.603 nan 8.310 nan 0.000 0.522 282 R N -1.258 119.166 120.500 -0.127 0.000 2.517 282 R HA 0.410 4.751 4.340 0.000 0.000 0.265 282 R C -0.233 176.028 176.300 -0.065 0.000 0.921 282 R CA -0.416 55.636 56.100 -0.080 0.000 1.054 282 R CB 0.267 30.529 30.300 -0.063 0.000 1.340 282 R HN -0.044 nan 8.270 nan 0.000 0.551 283 K N 1.649 121.984 120.400 -0.108 0.000 2.565 283 K HA 0.255 4.575 4.320 0.000 0.000 0.249 283 K C -1.624 174.990 176.600 0.024 0.000 0.958 283 K CA -0.359 55.888 56.287 -0.066 0.000 0.806 283 K CB 2.355 34.756 32.500 -0.164 0.000 1.194 283 K HN 0.022 nan 8.250 nan 0.000 0.434 284 S N 4.383 120.127 115.700 0.074 0.000 2.465 284 S HA 0.402 4.872 4.470 0.000 0.000 0.279 284 S C -0.662 174.058 174.600 0.198 0.000 1.201 284 S CA -0.323 57.935 58.200 0.096 0.000 1.053 284 S CB -0.024 63.199 63.200 0.037 0.000 0.953 284 S HN 0.667 nan 8.310 nan 0.000 0.488 285 H N 2.260 121.317 119.070 -0.022 0.000 3.046 285 H HA 0.430 4.986 4.556 0.000 0.000 0.361 285 H C -0.709 174.635 175.328 0.027 0.000 1.235 285 H CA -0.885 55.184 56.048 0.035 0.000 1.146 285 H CB 0.331 30.147 29.762 0.090 0.000 1.859 285 H HN 0.404 nan 8.280 nan 0.000 0.548 286 D N 0.217 120.629 120.400 0.019 0.000 2.162 286 D HA -0.047 4.593 4.640 0.000 0.000 0.203 286 D C 0.290 176.576 176.300 -0.024 0.000 0.967 286 D CA 1.082 55.067 54.000 -0.026 0.000 0.840 286 D CB 0.584 41.410 40.800 0.044 0.000 0.972 286 D HN 0.536 nan 8.370 nan 0.000 0.482 287 N N -0.443 118.323 118.700 0.111 0.000 2.367 287 N HA 0.431 5.171 4.740 0.000 0.000 0.278 287 N C -1.993 173.759 175.510 0.403 0.000 1.117 287 N CA -0.341 52.821 53.050 0.186 0.000 0.867 287 N CB 2.392 40.948 38.487 0.116 0.000 1.649 287 N HN -0.085 nan 8.380 nan 0.000 0.479 288 A N 2.300 125.379 122.820 0.432 0.000 2.371 288 A HA 0.610 4.930 4.320 0.000 0.000 0.311 288 A C -1.100 176.811 177.584 0.544 0.000 1.068 288 A CA -0.567 51.785 52.037 0.525 0.000 0.744 288 A CB 1.484 20.813 19.000 0.549 0.000 1.239 288 A HN 0.555 nan 8.150 nan 0.000 0.435 289 Q N 1.018 121.078 119.800 0.433 0.000 2.353 289 Q HA 0.442 4.782 4.340 0.000 0.000 0.268 289 Q C -1.554 174.489 176.000 0.071 0.000 1.045 289 Q CA -0.767 55.198 55.803 0.269 0.000 0.811 289 Q CB 2.437 31.262 28.738 0.145 0.000 1.305 289 Q HN 0.659 nan 8.270 nan 0.000 0.447 290 L N 3.604 124.637 121.223 -0.316 0.000 2.264 290 L HA 0.370 4.710 4.340 0.000 0.000 0.289 290 L C -1.259 175.433 176.870 -0.297 0.000 1.044 290 L CA -0.577 53.892 54.840 -0.619 0.000 0.807 290 L CB 0.791 42.011 42.059 -1.398 0.000 1.192 290 L HN 0.487 nan 8.230 nan 0.000 0.425 291 L N 5.394 126.469 121.223 -0.246 0.000 2.264 291 L HA 0.538 4.878 4.340 0.000 0.000 0.287 291 L C -0.108 176.660 176.870 -0.169 0.000 1.039 291 L CA 0.422 55.169 54.840 -0.155 0.000 0.829 291 L CB 1.002 42.971 42.059 -0.151 0.000 1.211 291 L HN 0.767 nan 8.230 nan 0.000 0.427 292 T N 2.128 116.611 114.554 -0.118 0.000 2.888 292 T HA 0.580 4.930 4.350 0.000 0.000 0.284 292 T C 0.985 175.607 174.700 -0.130 0.000 1.017 292 T CA -0.039 61.983 62.100 -0.130 0.000 1.022 292 T CB 1.517 70.300 68.868 -0.140 0.000 1.013 292 T HN 0.675 nan 8.240 nan 0.000 0.465 293 G N 3.182 111.921 108.800 -0.101 0.000 3.042 293 G HA2 0.194 4.154 3.960 0.000 0.000 0.212 293 G HA3 0.194 4.154 3.960 0.000 0.000 0.212 293 G C 0.697 175.512 174.900 -0.142 0.000 1.166 293 G CA -0.248 44.801 45.100 -0.085 0.000 0.767 293 G HN 0.759 nan 8.290 nan 0.000 0.546 294 I N 0.314 120.756 120.570 -0.213 0.000 3.060 294 I HA 0.178 4.348 4.170 0.000 0.000 0.285 294 I C -0.327 175.554 176.117 -0.393 0.000 1.190 294 I CA -0.608 60.536 61.300 -0.261 0.000 1.363 294 I CB 1.018 38.852 38.000 -0.276 0.000 1.396 294 I HN 0.053 nan 8.210 nan 0.000 0.607 295 N N 4.068 122.592 118.700 -0.294 0.000 2.476 295 N HA 0.306 5.046 4.740 0.000 0.000 0.257 295 N C -1.283 174.117 175.510 -0.184 0.000 0.970 295 N CA -0.453 52.457 53.050 -0.233 0.000 0.938 295 N CB 0.444 38.876 38.487 -0.092 0.000 1.144 295 N HN 0.240 nan 8.380 nan 0.000 0.500 296 F N 1.614 121.574 119.950 0.017 0.000 2.518 296 F HA 0.194 4.721 4.527 0.000 0.000 0.359 296 F C 1.302 177.107 175.800 0.009 0.000 1.118 296 F CA -0.368 57.641 58.000 0.014 0.000 1.287 296 F CB 0.216 39.224 39.000 0.012 0.000 1.132 296 F HN 0.371 nan 8.300 nan 0.000 0.587 297 N N 2.009 120.839 118.700 0.217 0.000 2.407 297 N HA 0.284 5.024 4.740 0.000 0.000 0.250 297 N C 0.612 176.179 175.510 0.096 0.000 1.236 297 N CA 1.075 54.194 53.050 0.116 0.000 0.879 297 N CB 0.564 39.105 38.487 0.090 0.000 1.088 297 N HN 0.893 nan 8.380 nan 0.000 0.450 298 G N 2.406 111.242 108.800 0.059 0.000 2.782 298 G HA2 -0.188 3.772 3.960 0.000 0.000 0.228 298 G HA3 -0.188 3.772 3.960 0.000 0.000 0.228 298 G C -1.569 173.354 174.900 0.037 0.000 1.372 298 G CA -0.264 44.859 45.100 0.038 0.000 0.862 298 G HN 0.474 nan 8.290 nan 0.000 0.547 299 P HA 0.054 nan 4.420 nan 0.000 0.229 299 P C 1.241 178.535 177.300 -0.010 0.000 1.160 299 P CA 1.486 64.580 63.100 -0.010 0.000 0.777 299 P CB -0.467 31.214 31.700 -0.032 0.000 0.814 300 T N -1.468 113.095 114.554 0.014 0.000 2.905 300 T HA 0.251 4.601 4.350 0.000 0.000 0.299 300 T C 0.974 175.726 174.700 0.086 0.000 1.024 300 T CA 0.085 62.192 62.100 0.013 0.000 1.151 300 T CB 0.728 69.588 68.868 -0.013 0.000 0.987 300 T HN 0.099 nan 8.240 nan 0.000 0.535 301 A N 2.302 125.155 122.820 0.055 0.000 2.538 301 A HA 0.756 5.076 4.320 0.000 0.000 0.269 301 A C 0.909 178.626 177.584 0.221 0.000 1.231 301 A CA 0.032 52.166 52.037 0.162 0.000 0.948 301 A CB -0.022 18.951 19.000 -0.045 0.000 1.110 301 A HN 1.678 nan 8.150 nan 0.000 0.529 302 G N -0.876 107.966 108.800 0.071 0.000 2.361 302 G HA2 0.467 4.427 3.960 0.000 0.000 0.299 302 G HA3 0.467 4.427 3.960 0.000 0.000 0.299 302 G C -1.749 173.122 174.900 -0.049 0.000 1.544 302 G CA -0.691 44.418 45.100 0.015 0.000 0.860 302 G HN 0.371 nan 8.290 nan 0.000 0.610 303 L N -0.214 120.950 121.223 -0.099 0.000 2.434 303 L HA 0.869 5.209 4.340 0.000 0.000 0.260 303 L C 0.154 176.972 176.870 -0.087 0.000 0.983 303 L CA -0.827 53.944 54.840 -0.116 0.000 0.820 303 L CB 2.766 44.674 42.059 -0.253 0.000 1.361 303 L HN 1.134 nan 8.230 nan 0.000 0.410 304 G N 0.548 109.286 108.800 -0.103 0.000 2.739 304 G HA2 0.482 4.442 3.960 0.000 0.000 0.292 304 G HA3 0.482 4.442 3.960 0.000 0.000 0.292 304 G C -1.666 173.176 174.900 -0.097 0.000 1.444 304 G CA -0.392 44.677 45.100 -0.052 0.000 1.144 304 G HN 0.239 nan 8.290 nan 0.000 0.550 305 Y N 1.160 121.496 120.300 0.061 0.000 2.721 305 Y HA 0.129 4.679 4.550 0.000 0.000 0.329 305 Y C 0.998 176.879 175.900 -0.033 0.000 1.211 305 Y CA -0.193 57.918 58.100 0.019 0.000 1.512 305 Y CB 0.839 39.378 38.460 0.133 0.000 1.249 305 Y HN 0.461 nan 8.280 nan 0.000 0.549 306 L N 3.832 125.084 121.223 0.048 0.000 2.410 306 L HA 0.342 4.682 4.340 0.000 0.000 0.273 306 L C 1.197 178.024 176.870 -0.072 0.000 1.144 306 L CA 0.891 55.703 54.840 -0.046 0.000 0.863 306 L CB 0.094 42.095 42.059 -0.097 0.000 1.140 306 L HN 0.887 nan 8.230 nan 0.000 0.463 307 G N 3.198 111.864 108.800 -0.223 0.000 2.196 307 G HA2 -0.341 3.619 3.960 0.000 0.000 0.268 307 G HA3 -0.341 3.619 3.960 0.000 0.000 0.268 307 G C 0.952 175.899 174.900 0.079 0.000 0.975 307 G CA 0.660 45.569 45.100 -0.318 0.000 0.648 307 G HN 1.259 nan 8.290 nan 0.000 0.538 308 G N -0.167 108.686 108.800 0.088 0.000 2.586 308 G HA2 0.182 4.143 3.960 0.000 0.000 0.215 308 G HA3 0.182 4.143 3.960 0.000 0.000 0.215 308 G C 0.921 175.926 174.900 0.175 0.000 1.128 308 G CA 0.617 45.821 45.100 0.173 0.000 0.774 308 G HN 1.106 nan 8.290 nan 0.000 0.543 309 I N -0.261 120.399 120.570 0.150 0.000 2.996 309 I HA -0.064 4.106 4.170 0.000 0.000 0.311 309 I C 1.487 177.689 176.117 0.142 0.000 1.219 309 I CA 0.183 61.567 61.300 0.140 0.000 1.452 309 I CB 0.198 38.290 38.000 0.153 0.000 1.319 309 I HN 0.317 nan 8.210 nan 0.000 0.564 310 c N 2.827 121.477 118.600 0.083 0.000 5.861 310 c HA -0.262 4.308 4.570 0.000 0.000 0.325 310 c C 1.130 175.228 174.090 0.013 0.000 2.404 310 c CA 0.730 57.085 56.329 0.043 0.000 2.167 310 c CB -2.871 39.682 42.510 0.072 0.000 3.197 310 c HN 1.008 nan 8.230 nan 0.000 0.285 311 N N 1.317 120.048 118.700 0.052 0.000 2.447 311 N HA 0.027 4.767 4.740 0.000 0.000 0.263 311 N C 0.968 176.457 175.510 -0.036 0.000 1.226 311 N CA 1.169 54.241 53.050 0.037 0.000 0.906 311 N CB 1.075 39.637 38.487 0.125 0.000 1.060 311 N HN 0.583 nan 8.380 nan 0.000 0.468 312 T N 3.520 118.025 114.554 -0.082 0.000 2.737 312 T HA -0.185 4.165 4.350 0.000 0.000 0.269 312 T C 1.517 176.097 174.700 -0.199 0.000 1.040 312 T CA 1.685 63.698 62.100 -0.145 0.000 1.142 312 T CB -0.079 68.709 68.868 -0.134 0.000 0.861 312 T HN 0.785 nan 8.240 nan 0.000 0.456 313 M N -1.914 117.525 119.600 -0.269 0.000 2.405 313 M HA 0.404 4.884 4.480 0.000 0.000 0.292 313 M C 0.067 175.842 176.300 -0.874 0.000 1.111 313 M CA 0.256 55.242 55.300 -0.523 0.000 0.979 313 M CB 0.638 32.859 32.600 -0.633 0.000 1.426 313 M HN 0.065 nan 8.290 nan 0.000 0.509 314 Y N -0.885 119.315 120.300 -0.166 0.000 2.617 314 Y HA 0.298 4.848 4.550 0.000 0.000 0.280 314 Y C 1.235 177.176 175.900 0.069 0.000 1.005 314 Y CA -0.617 57.339 58.100 -0.241 0.000 1.194 314 Y CB 0.589 38.853 38.460 -0.327 0.000 1.405 314 Y HN 0.265 nan 8.280 nan 0.000 0.580 315 S N 1.590 117.390 115.700 0.168 0.000 4.085 315 S HA 0.676 5.146 4.470 0.000 0.000 0.189 315 S C 0.066 174.793 174.600 0.211 0.000 1.392 315 S CA 0.354 58.655 58.200 0.168 0.000 0.972 315 S CB -1.086 62.157 63.200 0.073 0.000 1.482 315 S HN 0.322 nan 8.310 nan 0.000 0.446 316 A N 1.115 124.142 122.820 0.346 0.000 2.564 316 A HA 0.981 5.301 4.320 0.000 0.000 0.288 316 A C -0.040 177.771 177.584 0.377 0.000 1.164 316 A CA -0.426 51.850 52.037 0.398 0.000 0.712 316 A CB 1.376 20.630 19.000 0.422 0.000 1.303 316 A HN 0.847 nan 8.150 nan 0.000 0.418 317 G N -0.806 108.230 108.800 0.393 0.000 2.667 317 G HA2 0.640 4.600 3.960 0.000 0.000 0.294 317 G HA3 0.640 4.600 3.960 0.000 0.000 0.294 317 G C -1.142 173.837 174.900 0.132 0.000 1.467 317 G CA 0.047 45.271 45.100 0.205 0.000 0.852 317 G HN 1.631 nan 8.290 nan 0.000 0.521 318 I N -1.505 119.070 120.570 0.009 0.000 2.646 318 I HA 0.917 5.087 4.170 0.000 0.000 0.299 318 I C -1.072 175.067 176.117 0.038 0.000 1.036 318 I CA -1.410 59.849 61.300 -0.069 0.000 1.074 318 I CB 2.373 40.311 38.000 -0.103 0.000 1.258 318 I HN 0.320 nan 8.210 nan 0.000 0.430 319 V N 3.927 123.901 119.914 0.100 0.000 2.808 319 V HA 0.351 4.471 4.120 0.000 0.000 0.308 319 V C -0.562 175.673 176.094 0.235 0.000 1.099 319 V CA -0.490 61.921 62.300 0.185 0.000 0.920 319 V CB 1.851 33.744 31.823 0.117 0.000 1.014 319 V HN 0.903 nan 8.190 nan 0.000 0.425 320 Q N 1.812 121.811 119.800 0.330 0.000 2.256 320 Q HA 0.286 4.626 4.340 0.000 0.000 0.254 320 Q C -0.398 175.651 176.000 0.081 0.000 0.916 320 Q CA -0.482 55.416 55.803 0.157 0.000 0.932 320 Q CB 1.216 30.057 28.738 0.171 0.000 1.207 320 Q HN 0.804 nan 8.270 nan 0.000 0.426 321 D N 2.155 122.540 120.400 -0.024 0.000 2.745 321 D HA -0.017 4.623 4.640 0.000 0.000 0.229 321 D C 0.905 177.149 176.300 -0.094 0.000 1.088 321 D CA 0.204 54.156 54.000 -0.079 0.000 1.054 321 D CB -0.126 40.664 40.800 -0.016 0.000 1.132 321 D HN 0.663 nan 8.370 nan 0.000 0.464 322 H N -1.236 117.839 119.070 0.009 0.000 2.421 322 H HA 0.020 4.576 4.556 0.000 0.000 0.298 322 H C 0.588 175.914 175.328 -0.004 0.000 1.087 322 H CA 0.733 56.780 56.048 -0.002 0.000 1.330 322 H CB -0.040 29.727 29.762 0.008 0.000 1.388 322 H HN 0.080 nan 8.280 nan 0.000 0.526 323 S N -1.112 114.434 115.700 -0.256 0.000 2.600 323 S HA 0.287 4.757 4.470 0.000 0.000 0.300 323 S C 0.855 175.416 174.600 -0.064 0.000 1.087 323 S CA -0.926 57.245 58.200 -0.048 0.000 0.965 323 S CB 1.851 65.070 63.200 0.032 0.000 1.089 323 S HN 0.410 nan 8.310 nan 0.000 0.496 324 K N 2.151 122.542 120.400 -0.015 0.000 2.155 324 K HA 0.183 4.503 4.320 0.000 0.000 0.203 324 K C 0.186 176.806 176.600 0.032 0.000 1.052 324 K CA 0.735 57.025 56.287 0.004 0.000 0.948 324 K CB -0.125 32.372 32.500 -0.005 0.000 0.728 324 K HN 0.683 nan 8.250 nan 0.000 0.448 325 I N 2.658 123.235 120.570 0.011 0.000 2.494 325 I HA -0.052 4.118 4.170 0.000 0.000 0.289 325 I C 1.105 177.225 176.117 0.004 0.000 1.106 325 I CA -0.129 61.177 61.300 0.010 0.000 1.369 325 I CB 0.733 38.728 38.000 -0.008 0.000 1.410 325 I HN 0.343 nan 8.210 nan 0.000 0.523 326 H N 3.811 122.936 119.070 0.092 0.000 2.491 326 H HA -0.159 4.397 4.556 0.000 0.000 0.290 326 H C 1.545 176.869 175.328 -0.005 0.000 1.050 326 H CA 1.496 57.541 56.048 -0.005 0.000 1.309 326 H CB -0.461 29.270 29.762 -0.052 0.000 1.392 326 H HN 0.623 nan 8.280 nan 0.000 0.554 327 H N 0.230 119.086 119.070 -0.358 0.000 2.422 327 H HA -0.016 4.540 4.556 0.000 0.000 0.298 327 H C 1.999 177.311 175.328 -0.027 0.000 1.098 327 H CA 1.644 57.651 56.048 -0.068 0.000 1.315 327 H CB -0.043 29.685 29.762 -0.057 0.000 1.382 327 H HN 0.349 nan 8.280 nan 0.000 0.523 328 L N -0.623 120.633 121.223 0.056 0.000 2.179 328 L HA -0.069 4.271 4.340 0.000 0.000 0.208 328 L C 2.059 178.959 176.870 0.051 0.000 1.096 328 L CA 0.363 55.226 54.840 0.039 0.000 0.779 328 L CB -0.106 42.012 42.059 0.099 0.000 0.922 328 L HN 0.163 nan 8.230 nan 0.000 0.443 329 V N 0.165 120.036 119.914 -0.071 0.000 2.453 329 V HA -0.205 3.916 4.120 0.000 0.000 0.247 329 V C 2.772 178.885 176.094 0.032 0.000 1.048 329 V CA 1.612 63.840 62.300 -0.120 0.000 1.049 329 V CB -0.809 30.918 31.823 -0.160 0.000 0.672 329 V HN 0.434 nan 8.190 nan 0.000 0.457 330 A N 0.326 123.183 122.820 0.062 0.000 1.877 330 A HA -0.182 4.138 4.320 0.000 0.000 0.216 330 A C 2.195 179.830 177.584 0.085 0.000 1.186 330 A CA 1.954 54.046 52.037 0.092 0.000 0.620 330 A CB -0.566 18.516 19.000 0.137 0.000 0.822 330 A HN 0.486 nan 8.150 nan 0.000 0.443 331 I N -0.189 120.403 120.570 0.036 0.000 2.208 331 I HA -0.319 3.851 4.170 0.000 0.000 0.245 331 I C 2.966 179.111 176.117 0.047 0.000 1.097 331 I CA 1.105 62.383 61.300 -0.036 0.000 1.363 331 I CB -0.398 37.499 38.000 -0.172 0.000 1.051 331 I HN 0.380 nan 8.210 nan 0.000 0.413 332 A N 0.367 123.248 122.820 0.102 0.000 1.933 332 A HA -0.267 4.053 4.320 0.000 0.000 0.218 332 A C 2.393 180.090 177.584 0.188 0.000 1.175 332 A CA 1.915 54.044 52.037 0.153 0.000 0.628 332 A CB -0.602 18.556 19.000 0.263 0.000 0.814 332 A HN 0.461 nan 8.150 nan 0.000 0.444 333 M N -0.645 119.049 119.600 0.156 0.000 2.200 333 M HA -0.032 4.449 4.480 0.000 0.000 0.265 333 M C 2.236 178.659 176.300 0.205 0.000 1.066 333 M CA 1.413 56.809 55.300 0.159 0.000 1.127 333 M CB -0.175 32.495 32.600 0.118 0.000 1.379 333 M HN 0.412 nan 8.290 nan 0.000 0.420 334 A N -0.846 122.102 122.820 0.214 0.000 1.933 334 A HA -0.250 4.070 4.320 0.000 0.000 0.218 334 A C 1.778 179.534 177.584 0.287 0.000 1.175 334 A CA 2.137 54.355 52.037 0.303 0.000 0.628 334 A CB -1.151 17.913 19.000 0.106 0.000 0.814 334 A HN 0.750 nan 8.150 nan 0.000 0.444 335 H N 0.154 119.283 119.070 0.098 0.000 2.290 335 H HA -0.126 4.430 4.556 0.000 0.000 0.298 335 H C 2.001 177.341 175.328 0.020 0.000 1.087 335 H CA 2.102 58.171 56.048 0.036 0.000 1.291 335 H CB 0.044 29.817 29.762 0.019 0.000 1.369 335 H HN 0.395 nan 8.280 nan 0.000 0.492 336 E N 0.388 120.697 120.200 0.180 0.000 2.058 336 E HA -0.195 4.155 4.350 0.000 0.000 0.194 336 E C 2.445 179.111 176.600 0.111 0.000 0.997 336 E CA 1.350 57.861 56.400 0.186 0.000 0.801 336 E CB -0.451 29.368 29.700 0.198 0.000 0.746 336 E HN 0.626 nan 8.360 nan 0.000 0.450 337 M N 0.235 119.914 119.600 0.131 0.000 2.213 337 M HA -0.071 4.410 4.480 0.000 0.000 0.263 337 M C 2.291 178.618 176.300 0.044 0.000 1.062 337 M CA 1.520 56.875 55.300 0.092 0.000 1.105 337 M CB -0.522 32.142 32.600 0.107 0.000 1.385 337 M HN 0.163 nan 8.290 nan 0.000 0.417 338 G N -0.503 108.333 108.800 0.060 0.000 2.422 338 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 338 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 338 G C 1.248 175.995 174.900 -0.254 0.000 1.146 338 G CA 0.784 45.825 45.100 -0.098 0.000 0.769 338 G HN 0.421 nan 8.290 nan 0.000 0.547 339 H N 0.736 119.708 119.070 -0.164 0.000 2.326 339 H HA -0.025 4.531 4.556 0.000 0.000 0.301 339 H C 2.580 177.786 175.328 -0.204 0.000 1.081 339 H CA 1.309 57.239 56.048 -0.197 0.000 1.334 339 H CB -0.548 29.113 29.762 -0.168 0.000 1.385 339 H HN 0.445 nan 8.280 nan 0.000 0.504 340 N N 0.658 119.360 118.700 0.005 0.000 2.192 340 N HA -0.126 4.614 4.740 0.000 0.000 0.188 340 N C 0.973 176.366 175.510 -0.195 0.000 1.013 340 N CA 0.438 53.471 53.050 -0.029 0.000 0.863 340 N CB -0.054 38.457 38.487 0.040 0.000 0.990 340 N HN 0.196 nan 8.380 nan 0.000 0.430 341 L N 0.095 121.156 121.223 -0.270 0.000 2.688 341 L HA 0.215 4.555 4.340 0.000 0.000 0.234 341 L C 1.267 177.732 176.870 -0.674 0.000 1.192 341 L CA -0.161 54.456 54.840 -0.371 0.000 0.984 341 L CB -0.113 41.723 42.059 -0.371 0.000 1.232 341 L HN 0.238 nan 8.230 nan 0.000 0.465 342 G N -0.276 107.961 108.800 -0.938 0.000 2.205 342 G HA2 -0.316 3.644 3.960 0.000 0.000 0.261 342 G HA3 -0.316 3.644 3.960 0.000 0.000 0.261 342 G C 0.369 175.085 174.900 -0.307 0.000 0.980 342 G CA -0.072 44.477 45.100 -0.919 0.000 0.632 342 G HN 0.307 nan 8.290 nan 0.000 0.533 343 M N 1.354 120.804 119.600 -0.249 0.000 2.233 343 M HA 0.389 4.870 4.480 0.000 0.000 0.350 343 M C 0.172 176.431 176.300 -0.069 0.000 1.176 343 M CA 0.051 55.263 55.300 -0.147 0.000 1.150 343 M CB 0.537 33.004 32.600 -0.222 0.000 1.530 343 M HN 0.119 nan 8.290 nan 0.000 0.459 344 D N -0.204 120.193 120.400 -0.006 0.000 2.588 344 D HA 0.323 4.963 4.640 0.000 0.000 0.268 344 D C -0.649 175.734 176.300 0.139 0.000 1.176 344 D CA -0.477 53.552 54.000 0.049 0.000 1.080 344 D CB 0.569 41.383 40.800 0.023 0.000 1.186 344 D HN 0.576 nan 8.370 nan 0.000 0.619 345 H N 0.205 119.364 119.070 0.149 0.000 2.652 345 H HA 0.096 4.652 4.556 0.000 0.000 0.349 345 H C -0.278 175.107 175.328 0.096 0.000 1.099 345 H CA -0.554 55.587 56.048 0.154 0.000 1.417 345 H CB 0.839 30.704 29.762 0.172 0.000 1.457 345 H HN 0.091 nan 8.280 nan 0.000 0.568 346 D N 3.135 123.661 120.400 0.210 0.000 2.390 346 D HA 0.003 4.643 4.640 0.000 0.000 0.249 346 D C 0.160 176.518 176.300 0.098 0.000 1.144 346 D CA 0.060 54.134 54.000 0.122 0.000 0.880 346 D CB 0.989 41.839 40.800 0.083 0.000 1.182 346 D HN 0.506 nan 8.370 nan 0.000 0.451 347 K N 0.995 121.443 120.400 0.080 0.000 2.087 347 K HA 0.185 4.505 4.320 0.000 0.000 0.255 347 K C 0.575 177.200 176.600 0.042 0.000 0.988 347 K CA -0.703 55.621 56.287 0.061 0.000 0.915 347 K CB 1.350 33.884 32.500 0.056 0.000 1.043 347 K HN 0.027 nan 8.250 nan 0.000 0.457 348 D N 1.132 121.551 120.400 0.031 0.000 2.242 348 D HA -0.309 4.331 4.640 0.000 0.000 0.190 348 D C 1.657 177.970 176.300 0.021 0.000 1.012 348 D CA 3.218 57.230 54.000 0.021 0.000 0.875 348 D CB -0.117 40.693 40.800 0.017 0.000 0.922 348 D HN 0.827 nan 8.370 nan 0.000 0.448 349 T N -1.988 112.581 114.554 0.025 0.000 2.746 349 T HA -0.128 4.222 4.350 0.000 0.000 0.267 349 T C 1.426 176.143 174.700 0.028 0.000 1.039 349 T CA 0.860 62.975 62.100 0.024 0.000 1.142 349 T CB -1.255 67.628 68.868 0.025 0.000 0.866 349 T HN 0.217 nan 8.240 nan 0.000 0.444 350 c N 2.476 121.097 118.600 0.036 0.000 2.502 350 c HA 0.499 5.069 4.570 0.000 0.000 0.404 350 c C 0.906 175.018 174.090 0.035 0.000 1.409 350 c CA -0.187 56.167 56.329 0.042 0.000 1.648 350 c CB -0.983 41.560 42.510 0.055 0.000 2.571 350 c HN 0.752 nan 8.230 nan 0.000 0.601 351 T N 0.866 115.442 114.554 0.037 0.000 2.868 351 T HA 0.542 4.892 4.350 0.000 0.000 0.306 351 T C 0.188 174.911 174.700 0.037 0.000 1.224 351 T CA -0.193 61.925 62.100 0.030 0.000 1.012 351 T CB 1.063 69.945 68.868 0.023 0.000 1.221 351 T HN 1.015 nan 8.240 nan 0.000 0.499 352 c N 0.788 119.405 118.600 0.028 0.000 4.027 352 c HA 0.840 5.410 4.570 0.000 0.000 0.351 352 c C 1.095 175.198 174.090 0.022 0.000 1.634 352 c CA 0.408 56.757 56.329 0.033 0.000 1.897 352 c CB -0.555 41.973 42.510 0.030 0.000 2.949 352 c HN 1.249 nan 8.230 nan 0.000 0.684 353 G N 1.362 110.171 108.800 0.014 0.000 2.399 353 G HA2 0.361 4.321 3.960 0.000 0.000 0.256 353 G HA3 0.361 4.321 3.960 0.000 0.000 0.256 353 G C 0.267 175.170 174.900 0.004 0.000 1.236 353 G CA 0.669 45.775 45.100 0.011 0.000 0.914 353 G HN 0.581 nan 8.290 nan 0.000 0.482 354 T N -1.296 113.259 114.554 0.002 0.000 3.107 354 T HA 0.421 4.771 4.350 0.000 0.000 0.249 354 T C 0.865 175.558 174.700 -0.011 0.000 1.096 354 T CA 0.445 62.543 62.100 -0.003 0.000 1.012 354 T CB -0.011 68.856 68.868 -0.001 0.000 0.977 354 T HN 0.504 nan 8.240 nan 0.000 0.527 355 R N 0.807 121.298 120.500 -0.016 0.000 2.888 355 R HA 0.556 4.896 4.340 0.000 0.000 0.266 355 R C -3.039 173.236 176.300 -0.042 0.000 1.020 355 R CA -2.511 53.570 56.100 -0.031 0.000 0.963 355 R CB 0.639 30.917 30.300 -0.036 0.000 1.197 355 R HN 0.037 nan 8.270 nan 0.000 0.481 356 P HA -0.004 nan 4.420 nan 0.000 0.269 356 P C -0.710 176.537 177.300 -0.088 0.000 1.217 356 P CA -0.117 62.941 63.100 -0.070 0.000 0.783 356 P CB 0.461 32.106 31.700 -0.091 0.000 0.898 357 c N 0.834 119.391 118.600 -0.073 0.000 2.454 357 c HA 0.188 4.758 4.570 0.000 0.000 0.336 357 c C 2.250 176.270 174.090 -0.115 0.000 1.189 357 c CA -0.586 55.687 56.329 -0.093 0.000 1.877 357 c CB 0.976 43.475 42.510 -0.018 0.000 2.348 357 c HN 0.478 nan 8.230 nan 0.000 0.508 358 V N 1.698 121.465 119.914 -0.246 0.000 2.311 358 V HA -0.285 3.835 4.120 0.000 0.000 0.259 358 V C 1.930 178.078 176.094 0.090 0.000 1.086 358 V CA 2.043 64.202 62.300 -0.235 0.000 1.078 358 V CB -0.411 31.001 31.823 -0.685 0.000 0.668 358 V HN 0.845 nan 8.190 nan 0.000 0.452 359 M N -0.357 119.345 119.600 0.169 0.000 2.581 359 M HA 0.306 4.786 4.480 0.000 0.000 0.224 359 M C 0.746 177.186 176.300 0.234 0.000 1.171 359 M CA -0.477 54.989 55.300 0.277 0.000 0.993 359 M CB -1.269 31.444 32.600 0.188 0.000 1.685 359 M HN 0.320 nan 8.290 nan 0.000 0.479 360 A N 0.115 122.975 122.820 0.067 0.000 2.454 360 A HA 0.516 4.836 4.320 0.000 0.000 0.260 360 A C 1.559 179.022 177.584 -0.202 0.000 1.106 360 A CA 0.179 52.186 52.037 -0.049 0.000 0.780 360 A CB -0.062 18.883 19.000 -0.091 0.000 1.044 360 A HN 0.595 nan 8.150 nan 0.000 0.498 361 G N 1.531 110.156 108.800 -0.291 0.000 2.527 361 G HA2 0.260 4.220 3.960 0.000 0.000 0.219 361 G HA3 0.260 4.220 3.960 0.000 0.000 0.219 361 G C 0.593 175.266 174.900 -0.378 0.000 1.117 361 G CA 1.157 45.920 45.100 -0.562 0.000 0.759 361 G HN 1.490 nan 8.290 nan 0.000 0.556 362 A N -0.516 122.141 122.820 -0.272 0.000 2.374 362 A HA 0.727 5.047 4.320 0.000 0.000 0.305 362 A C -0.151 177.302 177.584 -0.219 0.000 1.053 362 A CA -0.658 51.246 52.037 -0.222 0.000 0.726 362 A CB 1.369 20.279 19.000 -0.150 0.000 1.229 362 A HN 0.114 nan 8.150 nan 0.000 0.431 363 L N 1.360 122.444 121.223 -0.231 0.000 2.464 363 L HA 0.615 4.955 4.340 0.000 0.000 0.224 363 L C 0.720 177.496 176.870 -0.158 0.000 1.219 363 L CA 0.534 55.246 54.840 -0.213 0.000 0.831 363 L CB 0.946 42.851 42.059 -0.257 0.000 1.284 363 L HN 1.135 nan 8.230 nan 0.000 0.522 364 S N -2.592 113.027 115.700 -0.135 0.000 2.798 364 S HA -0.023 4.447 4.470 0.000 0.000 0.291 364 S C -0.199 174.343 174.600 -0.097 0.000 0.894 364 S CA -0.606 57.532 58.200 -0.103 0.000 0.838 364 S CB -0.343 62.798 63.200 -0.097 0.000 1.047 364 S HN 0.821 nan 8.310 nan 0.000 0.482 365 C N -0.020 119.236 119.300 -0.074 0.000 2.525 365 C HA 0.355 4.815 4.460 0.000 0.000 0.279 365 C C 1.251 176.191 174.990 -0.084 0.000 1.437 365 C CA 0.714 59.688 59.018 -0.073 0.000 1.704 365 C CB -2.008 25.701 27.740 -0.052 0.000 1.672 365 C HN 0.937 nan 8.230 nan 0.000 0.582 366 E N 0.657 120.804 120.200 -0.088 0.000 2.501 366 E HA 0.410 4.760 4.350 0.000 0.000 0.201 366 E C 0.862 177.398 176.600 -0.106 0.000 1.016 366 E CA -0.116 56.236 56.400 -0.079 0.000 0.920 366 E CB 0.280 29.943 29.700 -0.061 0.000 1.023 366 E HN 0.746 nan 8.360 nan 0.000 0.474 367 A N 1.026 123.753 122.820 -0.155 0.000 2.401 367 A HA 0.359 4.679 4.320 0.000 0.000 0.259 367 A C 0.465 177.869 177.584 -0.299 0.000 1.103 367 A CA -0.187 51.724 52.037 -0.211 0.000 0.789 367 A CB 0.617 19.473 19.000 -0.240 0.000 1.035 367 A HN 0.333 nan 8.150 nan 0.000 0.491 368 S N 0.606 116.151 115.700 -0.257 0.000 2.719 368 S HA 0.677 5.147 4.470 0.000 0.000 0.285 368 S C -0.299 174.058 174.600 -0.406 0.000 1.137 368 S CA -0.370 57.699 58.200 -0.219 0.000 1.012 368 S CB 0.357 63.528 63.200 -0.047 0.000 1.134 368 S HN 0.492 nan 8.310 nan 0.000 0.544 369 F N 0.257 120.118 119.950 -0.147 0.000 2.837 369 F HA 0.497 5.024 4.527 0.000 0.000 0.298 369 F C -0.154 175.457 175.800 -0.315 0.000 1.161 369 F CA -0.559 57.309 58.000 -0.221 0.000 1.353 369 F CB -0.338 38.583 39.000 -0.131 0.000 0.951 369 F HN 0.141 nan 8.300 nan 0.000 0.508 370 L N -0.369 120.749 121.223 -0.176 0.000 2.333 370 L HA 0.543 4.883 4.340 0.000 0.000 0.269 370 L C -0.780 175.905 176.870 -0.309 0.000 1.010 370 L CA -0.956 53.771 54.840 -0.187 0.000 0.818 370 L CB 1.818 43.856 42.059 -0.035 0.000 1.306 370 L HN -0.148 nan 8.230 nan 0.000 0.430 371 F N 0.116 120.046 119.950 -0.033 0.000 2.404 371 F HA 0.305 4.832 4.527 0.000 0.000 0.339 371 F C 0.947 176.744 175.800 -0.005 0.000 1.105 371 F CA -0.442 57.536 58.000 -0.036 0.000 1.087 371 F CB 1.799 40.770 39.000 -0.050 0.000 1.143 371 F HN 0.473 nan 8.300 nan 0.000 0.491 372 S N 1.080 116.897 115.700 0.195 0.000 2.589 372 S HA 0.006 4.476 4.470 0.000 0.000 0.265 372 S C 1.093 175.764 174.600 0.119 0.000 1.342 372 S CA -0.261 58.010 58.200 0.119 0.000 1.005 372 S CB 0.622 63.878 63.200 0.094 0.000 0.909 372 S HN 0.729 nan 8.310 nan 0.000 0.555 373 D N 0.252 120.702 120.400 0.084 0.000 2.263 373 D HA -0.133 4.507 4.640 0.000 0.000 0.208 373 D C 1.721 178.063 176.300 0.070 0.000 0.971 373 D CA 0.964 55.008 54.000 0.073 0.000 0.867 373 D CB -1.010 39.823 40.800 0.055 0.000 0.929 373 D HN 0.506 nan 8.370 nan 0.000 0.492 374 c N 0.587 119.230 118.600 0.072 0.000 2.462 374 c HA -0.055 4.515 4.570 0.000 0.000 0.278 374 c C 3.176 177.307 174.090 0.069 0.000 1.253 374 c CA 0.970 57.339 56.329 0.066 0.000 1.713 374 c CB -0.962 41.588 42.510 0.067 0.000 2.049 374 c HN 0.374 nan 8.230 nan 0.000 0.477 375 S N 0.630 116.378 115.700 0.080 0.000 2.365 375 S HA -0.253 4.217 4.470 0.000 0.000 0.225 375 S C 1.921 176.541 174.600 0.033 0.000 1.039 375 S CA 1.454 59.681 58.200 0.045 0.000 1.033 375 S CB -0.464 62.789 63.200 0.089 0.000 0.887 375 S HN 0.621 nan 8.310 nan 0.000 0.447 376 Q N 1.181 121.020 119.800 0.065 0.000 2.077 376 Q HA -0.147 4.193 4.340 0.000 0.000 0.206 376 Q C 2.163 178.208 176.000 0.076 0.000 0.989 376 Q CA 1.415 57.263 55.803 0.075 0.000 0.853 376 Q CB -0.393 28.393 28.738 0.079 0.000 0.907 376 Q HN 0.595 nan 8.270 nan 0.000 0.418 377 K N 0.517 120.957 120.400 0.066 0.000 1.984 377 K HA -0.110 4.210 4.320 0.000 0.000 0.209 377 K C 1.836 178.483 176.600 0.079 0.000 1.046 377 K CA 1.135 57.457 56.287 0.059 0.000 0.934 377 K CB -0.125 32.406 32.500 0.051 0.000 0.717 377 K HN 0.178 nan 8.250 nan 0.000 0.438 378 D N 0.381 120.831 120.400 0.084 0.000 2.154 378 D HA -0.246 4.394 4.640 0.000 0.000 0.190 378 D C 1.905 178.308 176.300 0.173 0.000 1.003 378 D CA 1.432 55.492 54.000 0.101 0.000 0.849 378 D CB -0.509 40.328 40.800 0.063 0.000 0.942 378 D HN 0.414 nan 8.370 nan 0.000 0.446 379 H N 0.979 120.065 119.070 0.028 0.000 2.267 379 H HA -0.124 4.432 4.556 0.000 0.000 0.297 379 H C 2.446 177.863 175.328 0.149 0.000 1.080 379 H CA 1.650 57.734 56.048 0.061 0.000 1.278 379 H CB 0.157 29.894 29.762 -0.041 0.000 1.365 379 H HN -0.022 nan 8.280 nan 0.000 0.489 380 R N 0.644 121.130 120.500 -0.022 0.000 2.094 380 R HA -0.174 4.166 4.340 0.000 0.000 0.239 380 R C 2.305 178.612 176.300 0.012 0.000 1.137 380 R CA 2.230 58.276 56.100 -0.090 0.000 0.943 380 R CB -0.154 30.121 30.300 -0.041 0.000 0.850 380 R HN 0.557 nan 8.270 nan 0.000 0.433 381 E N -0.416 119.823 120.200 0.064 0.000 2.058 381 E HA -0.240 4.110 4.350 0.000 0.000 0.194 381 E C 1.844 178.497 176.600 0.087 0.000 0.997 381 E CA 1.496 57.936 56.400 0.066 0.000 0.801 381 E CB -0.339 29.406 29.700 0.075 0.000 0.746 381 E HN 0.340 nan 8.360 nan 0.000 0.450 382 F N 1.859 121.828 119.950 0.032 0.000 2.065 382 F HA -0.242 4.285 4.527 0.000 0.000 0.298 382 F C 2.025 177.854 175.800 0.047 0.000 1.112 382 F CA 1.470 59.500 58.000 0.049 0.000 1.212 382 F CB -0.344 38.714 39.000 0.097 0.000 0.975 382 F HN -0.091 nan 8.300 nan 0.000 0.476 383 L N 0.036 121.280 121.223 0.035 0.000 1.989 383 L HA -0.275 4.066 4.340 0.000 0.000 0.211 383 L C 2.562 179.375 176.870 -0.095 0.000 1.071 383 L CA 1.801 56.642 54.840 0.002 0.000 0.749 383 L CB -0.841 41.310 42.059 0.153 0.000 0.890 383 L HN 0.217 nan 8.230 nan 0.000 0.431 384 I N -0.328 120.216 120.570 -0.044 0.000 2.151 384 I HA -0.314 3.856 4.170 0.000 0.000 0.243 384 I C 2.577 178.605 176.117 -0.149 0.000 1.080 384 I CA 1.334 62.596 61.300 -0.062 0.000 1.339 384 I CB -0.400 37.586 38.000 -0.023 0.000 1.039 384 I HN 0.256 nan 8.210 nan 0.000 0.409 385 K N 0.463 120.762 120.400 -0.169 0.000 2.155 385 K HA -0.030 4.290 4.320 0.000 0.000 0.203 385 K C 1.526 177.965 176.600 -0.269 0.000 1.052 385 K CA 1.074 57.252 56.287 -0.183 0.000 0.948 385 K CB -0.326 32.094 32.500 -0.134 0.000 0.728 385 K HN 0.472 nan 8.250 nan 0.000 0.448 386 N N 0.032 118.477 118.700 -0.426 0.000 2.510 386 N HA 0.112 4.852 4.740 0.000 0.000 0.186 386 N C 0.261 175.508 175.510 -0.437 0.000 1.051 386 N CA 0.036 52.814 53.050 -0.454 0.000 0.877 386 N CB 0.371 38.432 38.487 -0.710 0.000 1.183 386 N HN 0.031 nan 8.380 nan 0.000 0.443 387 M N 1.632 120.906 119.600 -0.543 0.000 2.516 387 M HA -0.101 4.379 4.480 0.000 0.000 0.183 387 M C -2.494 173.523 176.300 -0.471 0.000 0.928 387 M CA 0.052 54.806 55.300 -0.911 0.000 0.573 387 M CB -1.261 30.680 32.600 -1.098 0.000 1.126 387 M HN -0.015 nan 8.290 nan 0.000 0.859 388 P HA -0.039 nan 4.420 nan 0.000 0.265 388 P C 0.425 177.814 177.300 0.149 0.000 1.222 388 P CA 0.316 63.438 63.100 0.038 0.000 0.767 388 P CB 0.724 32.514 31.700 0.149 0.000 0.801 389 Q N 2.621 122.469 119.800 0.080 0.000 2.050 389 Q HA -0.146 4.194 4.340 0.000 0.000 0.202 389 Q C 2.266 178.351 176.000 0.141 0.000 0.980 389 Q CA 1.976 57.855 55.803 0.126 0.000 0.840 389 Q CB -1.452 27.320 28.738 0.056 0.000 0.898 389 Q HN 0.736 nan 8.270 nan 0.000 0.424 390 c N 1.136 119.795 118.600 0.099 0.000 2.396 390 c HA -0.136 4.434 4.570 0.000 0.000 0.277 390 c C 2.438 176.599 174.090 0.118 0.000 1.231 390 c CA 0.810 57.190 56.329 0.085 0.000 1.775 390 c CB -1.626 40.913 42.510 0.049 0.000 2.036 390 c HN 0.596 nan 8.230 nan 0.000 0.484 391 I N -1.031 119.630 120.570 0.151 0.000 3.528 391 I HA 0.129 4.299 4.170 0.000 0.000 0.298 391 I C 1.714 177.954 176.117 0.206 0.000 1.281 391 I CA 0.851 62.252 61.300 0.168 0.000 1.269 391 I CB -0.546 37.549 38.000 0.158 0.000 1.013 391 I HN 0.383 nan 8.210 nan 0.000 0.512 392 L N 0.408 121.749 121.223 0.195 0.000 2.425 392 L HA 0.199 4.539 4.340 0.000 0.000 0.215 392 L C 1.086 178.063 176.870 0.179 0.000 1.065 392 L CA 0.014 54.975 54.840 0.201 0.000 0.842 392 L CB -0.012 42.153 42.059 0.177 0.000 1.033 392 L HN 0.086 nan 8.230 nan 0.000 0.474 393 K N 2.536 122.999 120.400 0.105 0.000 2.378 393 K HA 0.005 4.325 4.320 0.000 0.000 0.288 393 K C 0.018 176.539 176.600 -0.131 0.000 1.057 393 K CA 0.206 56.499 56.287 0.009 0.000 0.971 393 K CB 0.344 32.860 32.500 0.026 0.000 0.975 393 K HN -0.139 nan 8.250 nan 0.000 0.475 394 K N 6.642 126.820 120.400 -0.370 0.000 2.298 394 K HA 0.225 4.545 4.320 0.000 0.000 0.280 394 K C -2.118 174.343 176.600 -0.230 0.000 1.032 394 K CA -1.682 54.151 56.287 -0.758 0.000 0.958 394 K CB 0.557 32.528 32.500 -0.880 0.000 0.978 394 K HN 0.507 nan 8.250 nan 0.000 0.472 395 P HA 0.097 nan 4.420 nan 0.000 0.277 395 P C -0.417 176.981 177.300 0.164 0.000 1.240 395 P CA -0.314 62.826 63.100 0.067 0.000 0.798 395 P CB 0.757 32.507 31.700 0.082 0.000 0.979 396 L N 2.385 123.680 121.223 0.119 0.000 2.452 396 L HA 0.131 4.471 4.340 0.000 0.000 0.267 396 L C 2.054 179.027 176.870 0.171 0.000 1.188 396 L CA -0.341 54.563 54.840 0.107 0.000 0.821 396 L CB 0.036 42.132 42.059 0.063 0.000 1.102 396 L HN 0.401 nan 8.230 nan 0.000 0.470 397 K N 0.366 120.834 120.400 0.113 0.000 2.160 397 K HA -0.173 4.147 4.320 0.000 0.000 0.206 397 K C 1.785 178.462 176.600 0.128 0.000 1.047 397 K CA 1.912 58.272 56.287 0.121 0.000 0.930 397 K CB -0.298 32.202 32.500 0.001 0.000 0.720 397 K HN 0.875 nan 8.250 nan 0.000 0.450 398 T N -1.060 113.548 114.554 0.089 0.000 3.043 398 T HA -0.044 4.306 4.350 0.000 0.000 0.263 398 T C 1.392 176.144 174.700 0.085 0.000 1.094 398 T CA 0.714 62.858 62.100 0.074 0.000 1.127 398 T CB 0.006 68.905 68.868 0.051 0.000 0.905 398 T HN 0.015 nan 8.240 nan 0.000 0.490 399 D N 1.438 121.900 120.400 0.103 0.000 2.219 399 D HA 0.037 4.677 4.640 0.000 0.000 0.205 399 D C 0.595 176.956 176.300 0.102 0.000 0.970 399 D CA 0.394 54.454 54.000 0.101 0.000 0.851 399 D CB -0.168 40.693 40.800 0.102 0.000 0.943 399 D HN 0.299 nan 8.370 nan 0.000 0.488 400 V N 2.019 122.007 119.914 0.124 0.000 2.521 400 V HA -0.008 4.112 4.120 0.000 0.000 0.286 400 V C 1.562 177.691 176.094 0.058 0.000 1.034 400 V CA -0.052 62.306 62.300 0.097 0.000 1.045 400 V CB 1.600 33.524 31.823 0.168 0.000 0.974 400 V HN 0.032 nan 8.190 nan 0.000 0.480 401 V N 1.637 121.564 119.914 0.022 0.000 3.578 401 V HA 0.246 4.366 4.120 0.000 0.000 0.290 401 V C 0.866 176.911 176.094 -0.082 0.000 1.376 401 V CA 0.319 62.623 62.300 0.006 0.000 1.083 401 V CB 0.171 32.014 31.823 0.032 0.000 0.911 401 V HN 0.791 nan 8.190 nan 0.000 0.433 402 S N 0.909 116.522 115.700 -0.145 0.000 2.562 402 S HA 0.619 5.089 4.470 0.000 0.000 0.275 402 S C -2.570 171.818 174.600 -0.354 0.000 1.281 402 S CA -1.215 56.747 58.200 -0.397 0.000 1.045 402 S CB 0.649 63.702 63.200 -0.244 0.000 0.962 402 S HN 0.295 nan 8.310 nan 0.000 0.503 403 P HA 0.189 nan 4.420 nan 0.000 0.261 403 P C -0.242 176.980 177.300 -0.131 0.000 1.183 403 P CA 0.188 63.121 63.100 -0.279 0.000 0.761 403 P CB 0.045 31.568 31.700 -0.296 0.000 0.785 404 A N 3.738 126.529 122.820 -0.048 0.000 2.587 404 A HA 0.153 4.473 4.320 0.000 0.000 0.235 404 A C 0.081 177.674 177.584 0.016 0.000 1.044 404 A CA 0.365 52.411 52.037 0.016 0.000 0.754 404 A CB -0.221 18.792 19.000 0.022 0.000 0.968 404 A HN 0.398 nan 8.150 nan 0.000 0.509 405 V N 3.726 123.674 119.914 0.057 0.000 2.349 405 V HA 0.189 4.309 4.120 0.000 0.000 0.284 405 V C 0.212 176.345 176.094 0.065 0.000 1.014 405 V CA -0.756 61.578 62.300 0.057 0.000 0.826 405 V CB 1.065 32.935 31.823 0.078 0.000 1.009 405 V HN 1.079 nan 8.190 nan 0.000 0.431 406 c N 5.360 123.978 118.600 0.030 0.000 2.624 406 c HA 0.568 5.138 4.570 0.000 0.000 0.397 406 c C 1.528 175.615 174.090 -0.006 0.000 1.331 406 c CA 1.211 57.543 56.329 0.005 0.000 1.716 406 c CB -1.260 41.243 42.510 -0.012 0.000 2.452 406 c HN 1.477 nan 8.230 nan 0.000 0.586 407 G N 5.511 114.288 108.800 -0.038 0.000 2.192 407 G HA2 -0.229 3.731 3.960 0.000 0.000 0.193 407 G HA3 -0.229 3.731 3.960 0.000 0.000 0.193 407 G C 0.413 175.291 174.900 -0.036 0.000 0.999 407 G CA 0.259 45.298 45.100 -0.101 0.000 0.659 407 G HN 0.993 nan 8.290 nan 0.000 0.503 408 N N 0.303 119.079 118.700 0.126 0.000 2.313 408 N HA 0.203 4.943 4.740 0.000 0.000 0.207 408 N C 0.937 176.747 175.510 0.501 0.000 1.141 408 N CA 0.115 53.402 53.050 0.394 0.000 0.830 408 N CB -0.491 38.245 38.487 0.414 0.000 1.008 408 N HN 0.706 nan 8.380 nan 0.000 0.481 409 Y N -1.979 118.318 120.300 -0.004 0.000 4.851 409 Y HA -0.263 4.287 4.550 0.000 0.000 0.235 409 Y C -0.502 175.398 175.900 0.000 0.000 0.998 409 Y CA 0.761 58.821 58.100 -0.067 0.000 1.980 409 Y CB -2.559 35.745 38.460 -0.259 0.000 1.561 409 Y HN 0.317 nan 8.280 nan 0.000 0.585 410 F N -0.139 119.792 119.950 -0.032 0.000 2.518 410 F HA 0.661 5.188 4.527 0.000 0.000 0.323 410 F C -0.296 175.494 175.800 -0.016 0.000 1.129 410 F CA -1.796 56.131 58.000 -0.121 0.000 0.920 410 F CB 1.024 39.801 39.000 -0.371 0.000 1.160 410 F HN -0.299 nan 8.300 nan 0.000 0.440 411 V N 6.074 125.624 119.914 -0.606 0.000 2.415 411 V HA 0.148 4.268 4.120 0.000 0.000 0.267 411 V C -0.089 175.729 176.094 -0.459 0.000 1.042 411 V CA 0.064 62.115 62.300 -0.415 0.000 1.000 411 V CB 0.098 31.717 31.823 -0.340 0.000 1.015 411 V HN 0.730 nan 8.190 nan 0.000 0.478 412 E N 2.910 123.042 120.200 -0.113 0.000 2.243 412 E HA 0.516 4.866 4.350 0.000 0.000 0.260 412 E C -0.669 175.932 176.600 0.003 0.000 0.985 412 E CA -1.073 55.350 56.400 0.038 0.000 0.858 412 E CB 1.889 31.694 29.700 0.174 0.000 1.210 412 E HN 0.404 nan 8.360 nan 0.000 0.411 413 V N 1.793 121.726 119.914 0.031 0.000 2.681 413 V HA 0.077 4.197 4.120 0.000 0.000 0.306 413 V C 1.378 177.475 176.094 0.005 0.000 1.077 413 V CA 2.026 64.334 62.300 0.014 0.000 1.224 413 V CB -0.074 31.764 31.823 0.025 0.000 0.879 413 V HN 1.068 nan 8.190 nan 0.000 0.494 414 G N 3.579 112.377 108.800 -0.004 0.000 2.234 414 G HA2 -0.176 3.784 3.960 0.000 0.000 0.235 414 G HA3 -0.176 3.784 3.960 0.000 0.000 0.235 414 G C -0.005 174.887 174.900 -0.013 0.000 0.997 414 G CA 0.155 45.252 45.100 -0.005 0.000 0.623 414 G HN 0.680 nan 8.290 nan 0.000 0.514 415 E N -0.074 120.112 120.200 -0.022 0.000 2.212 415 E HA 0.590 4.940 4.350 0.000 0.000 0.270 415 E C 0.364 176.937 176.600 -0.045 0.000 0.956 415 E CA -0.605 55.774 56.400 -0.035 0.000 0.825 415 E CB 1.531 31.206 29.700 -0.042 0.000 1.167 415 E HN 0.371 nan 8.360 nan 0.000 0.400 416 E N -0.017 120.156 120.200 -0.045 0.000 2.413 416 E HA 0.106 4.456 4.350 0.000 0.000 0.203 416 E C 0.013 176.579 176.600 -0.055 0.000 0.957 416 E CA 0.239 56.613 56.400 -0.042 0.000 0.950 416 E CB 0.494 30.175 29.700 -0.032 0.000 0.957 416 E HN 0.569 nan 8.360 nan 0.000 0.497 417 c N -1.102 117.457 118.600 -0.068 0.000 3.289 417 c HA 0.515 5.085 4.570 0.000 0.000 0.354 417 c C -1.913 172.122 174.090 -0.091 0.000 1.201 417 c CA -1.345 54.936 56.329 -0.080 0.000 1.199 417 c CB 1.684 44.154 42.510 -0.065 0.000 1.511 417 c HN 0.031 nan 8.230 nan 0.000 0.506 418 D N 0.874 121.210 120.400 -0.107 0.000 2.386 418 D HA 0.397 5.037 4.640 0.000 0.000 0.247 418 D C 0.423 176.605 176.300 -0.196 0.000 1.336 418 D CA -0.093 53.826 54.000 -0.135 0.000 0.976 418 D CB 1.490 42.230 40.800 -0.099 0.000 1.257 418 D HN 1.037 nan 8.370 nan 0.000 0.570 419 c N 2.241 120.695 118.600 -0.243 0.000 2.778 419 c HA 0.798 5.368 4.570 0.000 0.000 0.294 419 c C 1.206 174.952 174.090 -0.574 0.000 1.331 419 c CA 0.255 56.407 56.329 -0.294 0.000 1.741 419 c CB -1.000 41.415 42.510 -0.160 0.000 2.106 419 c HN 0.747 nan 8.230 nan 0.000 0.603 420 G N 1.859 110.191 108.800 -0.780 0.000 2.545 420 G HA2 0.049 4.009 3.960 0.000 0.000 0.216 420 G HA3 0.049 4.009 3.960 0.000 0.000 0.216 420 G C -0.168 174.516 174.900 -0.360 0.000 1.314 420 G CA -0.101 44.439 45.100 -0.932 0.000 0.906 420 G HN 1.505 nan 8.290 nan 0.000 0.563 421 S N 0.440 116.014 115.700 -0.209 0.000 2.603 421 S HA 0.575 5.045 4.470 0.000 0.000 0.268 421 S C -1.149 173.401 174.600 -0.083 0.000 1.317 421 S CA -0.194 57.949 58.200 -0.094 0.000 1.012 421 S CB 1.803 64.986 63.200 -0.029 0.000 0.926 421 S HN 0.497 nan 8.310 nan 0.000 0.539 422 P HA -0.120 nan 4.420 nan 0.000 0.217 422 P C 1.549 178.830 177.300 -0.033 0.000 1.148 422 P CA 1.055 64.128 63.100 -0.046 0.000 0.828 422 P CB 0.057 31.737 31.700 -0.033 0.000 0.783 423 R N -0.391 120.096 120.500 -0.022 0.000 2.090 423 R HA -0.070 4.270 4.340 0.000 0.000 0.228 423 R C 1.862 178.161 176.300 -0.002 0.000 1.110 423 R CA 2.041 58.136 56.100 -0.008 0.000 0.973 423 R CB -0.504 29.797 30.300 0.001 0.000 0.869 423 R HN 0.255 nan 8.270 nan 0.000 0.440 424 T N -2.512 112.041 114.554 -0.002 0.000 3.040 424 T HA 0.025 4.375 4.350 0.000 0.000 0.252 424 T C 1.151 175.848 174.700 -0.005 0.000 1.064 424 T CA -0.005 62.109 62.100 0.022 0.000 1.110 424 T CB -0.626 68.293 68.868 0.084 0.000 0.921 424 T HN 0.256 nan 8.240 nan 0.000 0.480 425 c N 3.256 121.821 118.600 -0.059 0.000 2.437 425 c HA 0.216 4.786 4.570 0.000 0.000 0.399 425 c C 1.638 175.705 174.090 -0.038 0.000 1.478 425 c CA -0.120 56.159 56.329 -0.082 0.000 1.538 425 c CB -1.023 41.428 42.510 -0.099 0.000 2.506 425 c HN 0.589 nan 8.230 nan 0.000 0.603 426 R N 1.965 122.449 120.500 -0.026 0.000 2.437 426 R HA 0.152 4.492 4.340 0.000 0.000 0.257 426 R C -0.355 175.935 176.300 -0.016 0.000 0.927 426 R CA -0.229 55.865 56.100 -0.010 0.000 1.078 426 R CB 0.141 30.448 30.300 0.010 0.000 1.161 426 R HN 0.727 nan 8.270 nan 0.000 0.529 427 D N 1.645 122.027 120.400 -0.030 0.000 2.359 427 D HA 0.104 4.744 4.640 0.000 0.000 0.230 427 D C -1.431 174.848 176.300 -0.036 0.000 1.118 427 D CA -2.420 51.561 54.000 -0.031 0.000 0.844 427 D CB 1.705 42.483 40.800 -0.037 0.000 1.059 427 D HN -0.075 nan 8.370 nan 0.000 0.493 428 P HA -0.063 nan 4.420 nan 0.000 0.226 428 P C 1.068 178.344 177.300 -0.040 0.000 1.153 428 P CA 0.339 63.420 63.100 -0.033 0.000 0.777 428 P CB 0.202 31.885 31.700 -0.027 0.000 0.794 429 c N -0.908 117.666 118.600 -0.043 0.000 2.448 429 c HA 0.108 4.678 4.570 0.000 0.000 0.280 429 c C 1.796 175.853 174.090 -0.055 0.000 1.398 429 c CA -0.197 56.101 56.329 -0.052 0.000 1.774 429 c CB -1.585 40.892 42.510 -0.054 0.000 1.888 429 c HN 0.297 nan 8.230 nan 0.000 0.519 430 c N 1.391 119.959 118.600 -0.054 0.000 2.435 430 c HA 0.525 5.095 4.570 0.000 0.000 0.333 430 c C -0.528 173.528 174.090 -0.057 0.000 1.202 430 c CA -0.510 55.783 56.329 -0.059 0.000 1.830 430 c CB 0.687 43.156 42.510 -0.068 0.000 2.326 430 c HN 0.566 nan 8.230 nan 0.000 0.507 431 D N 2.470 122.837 120.400 -0.055 0.000 2.499 431 D HA 0.440 5.080 4.640 0.000 0.000 0.225 431 D C 0.909 177.174 176.300 -0.058 0.000 1.124 431 D CA 0.071 54.040 54.000 -0.050 0.000 0.938 431 D CB 0.988 41.763 40.800 -0.042 0.000 1.014 431 D HN 0.680 nan 8.370 nan 0.000 0.517 432 A N 2.820 125.599 122.820 -0.069 0.000 2.204 432 A HA -0.201 4.119 4.320 0.000 0.000 0.220 432 A C 2.085 179.630 177.584 -0.065 0.000 1.165 432 A CA 1.766 53.752 52.037 -0.085 0.000 0.671 432 A CB -0.554 18.387 19.000 -0.098 0.000 0.792 432 A HN 0.552 nan 8.150 nan 0.000 0.473 433 T N -1.293 113.233 114.554 -0.048 0.000 2.942 433 T HA -0.037 4.313 4.350 0.000 0.000 0.265 433 T C 1.694 176.375 174.700 -0.031 0.000 1.062 433 T CA 2.166 64.244 62.100 -0.035 0.000 1.139 433 T CB -0.190 68.661 68.868 -0.028 0.000 0.883 433 T HN 0.743 nan 8.240 nan 0.000 0.468 434 T N -3.008 111.526 114.554 -0.034 0.000 3.058 434 T HA 0.206 4.556 4.350 0.000 0.000 0.278 434 T C 0.914 175.594 174.700 -0.033 0.000 0.974 434 T CA 0.295 62.378 62.100 -0.029 0.000 0.893 434 T CB -0.929 67.925 68.868 -0.024 0.000 1.138 434 T HN 0.297 nan 8.240 nan 0.000 0.529 435 c N 2.448 121.022 118.600 -0.045 0.000 4.350 435 c HA -0.079 4.491 4.570 0.000 0.000 0.302 435 c C 0.058 174.121 174.090 -0.045 0.000 1.390 435 c CA 0.418 56.716 56.329 -0.051 0.000 2.016 435 c CB -2.151 40.332 42.510 -0.046 0.000 1.271 435 c HN 0.566 nan 8.230 nan 0.000 0.760 436 K N -0.283 120.091 120.400 -0.043 0.000 2.385 436 K HA 0.711 5.031 4.320 0.000 0.000 0.248 436 K C 0.005 176.579 176.600 -0.044 0.000 0.955 436 K CA -0.624 55.640 56.287 -0.039 0.000 0.816 436 K CB 1.281 33.762 32.500 -0.032 0.000 1.250 436 K HN 0.299 nan 8.250 nan 0.000 0.434 437 L N 2.177 123.373 121.223 -0.045 0.000 2.439 437 L HA 0.231 4.571 4.340 0.000 0.000 0.269 437 L C 0.819 177.658 176.870 -0.051 0.000 1.179 437 L CA -0.108 54.700 54.840 -0.053 0.000 0.828 437 L CB 0.262 42.283 42.059 -0.062 0.000 1.106 437 L HN 0.253 nan 8.230 nan 0.000 0.467 438 R N 2.080 122.547 120.500 -0.054 0.000 2.357 438 R HA 0.142 4.482 4.340 0.000 0.000 0.296 438 R C -0.247 176.022 176.300 -0.053 0.000 1.052 438 R CA -0.673 55.398 56.100 -0.049 0.000 0.988 438 R CB 0.882 31.154 30.300 -0.045 0.000 1.025 438 R HN 0.551 nan 8.270 nan 0.000 0.469 439 Q N 1.081 120.854 119.800 -0.045 0.000 3.237 439 Q HA -0.261 4.079 4.340 0.000 0.000 0.397 439 Q C 0.777 176.745 176.000 -0.054 0.000 1.085 439 Q CA 1.671 57.447 55.803 -0.045 0.000 1.207 439 Q CB 0.112 28.829 28.738 -0.035 0.000 1.109 439 Q HN 0.926 nan 8.270 nan 0.000 0.476 440 G N 2.255 111.018 108.800 -0.063 0.000 2.527 440 G HA2 -0.336 3.624 3.960 0.000 0.000 0.218 440 G HA3 -0.336 3.624 3.960 0.000 0.000 0.218 440 G C 0.181 175.015 174.900 -0.110 0.000 1.177 440 G CA 0.079 45.134 45.100 -0.075 0.000 0.695 440 G HN 1.299 nan 8.290 nan 0.000 0.517 441 A N 0.458 123.212 122.820 -0.111 0.000 2.511 441 A HA 0.571 4.891 4.320 0.000 0.000 0.242 441 A C 1.096 178.554 177.584 -0.209 0.000 1.069 441 A CA 1.580 53.528 52.037 -0.149 0.000 0.763 441 A CB 0.243 19.177 19.000 -0.111 0.000 1.001 441 A HN 0.652 nan 8.150 nan 0.000 0.498 442 Q N 0.264 119.850 119.800 -0.356 0.000 2.378 442 Q HA 0.181 4.521 4.340 0.000 0.000 0.229 442 Q C 0.174 175.890 176.000 -0.474 0.000 0.882 442 Q CA 0.761 56.221 55.803 -0.571 0.000 0.936 442 Q CB 0.554 28.570 28.738 -1.204 0.000 1.092 442 Q HN 0.979 nan 8.270 nan 0.000 0.535 443 c N -3.736 114.671 118.600 -0.322 0.000 3.332 443 c HA 0.934 5.504 4.570 0.000 0.000 0.329 443 c C 0.580 174.634 174.090 -0.060 0.000 1.434 443 c CA -0.439 55.847 56.329 -0.073 0.000 1.314 443 c CB 1.171 43.747 42.510 0.109 0.000 1.664 443 c HN 0.215 nan 8.230 nan 0.000 0.457 444 A N 0.076 122.886 122.820 -0.017 0.000 2.008 444 A HA 0.596 4.916 4.320 0.000 0.000 0.201 444 A C 0.534 178.114 177.584 -0.007 0.000 1.794 444 A CA 0.514 52.535 52.037 -0.026 0.000 0.952 444 A CB -0.221 18.756 19.000 -0.037 0.000 1.147 444 A HN 1.014 nan 8.150 nan 0.000 0.589 445 E N -0.103 120.098 120.200 0.003 0.000 2.249 445 E HA 0.579 4.929 4.350 0.000 0.000 0.263 445 E C -0.022 176.596 176.600 0.031 0.000 0.950 445 E CA -0.264 56.145 56.400 0.015 0.000 0.827 445 E CB 1.419 31.127 29.700 0.013 0.000 1.220 445 E HN 1.439 nan 8.360 nan 0.000 0.411 446 G N -0.016 108.805 108.800 0.035 0.000 2.335 446 G HA2 -0.043 3.917 3.960 0.000 0.000 0.592 446 G HA3 -0.043 3.917 3.960 0.000 0.000 0.592 446 G C 0.013 174.934 174.900 0.036 0.000 1.442 446 G CA -0.397 44.726 45.100 0.038 0.000 0.976 446 G HN 0.399 nan 8.290 nan 0.000 0.652 447 L N -0.688 120.552 121.223 0.028 0.000 2.395 447 L HA 0.107 4.447 4.340 0.000 0.000 0.218 447 L C 1.496 178.381 176.870 0.023 0.000 1.130 447 L CA 0.782 55.635 54.840 0.022 0.000 0.826 447 L CB 0.152 42.218 42.059 0.011 0.000 0.941 447 L HN 0.499 nan 8.230 nan 0.000 0.451 448 c N -0.316 118.303 118.600 0.032 0.000 2.429 448 c HA 0.390 4.961 4.570 0.000 0.000 0.310 448 c C 0.290 174.442 174.090 0.104 0.000 1.446 448 c CA -0.957 55.398 56.329 0.045 0.000 1.747 448 c CB -0.943 41.573 42.510 0.011 0.000 2.865 448 c HN 0.525 nan 8.230 nan 0.000 0.554 449 c N 1.854 120.506 118.600 0.086 0.000 2.705 449 c HA 0.534 5.104 4.570 0.000 0.000 0.369 449 c C -1.617 172.499 174.090 0.043 0.000 1.069 449 c CA -0.241 56.144 56.329 0.094 0.000 1.260 449 c CB 0.317 42.885 42.510 0.097 0.000 1.764 449 c HN 0.686 nan 8.230 nan 0.000 0.469 450 D N 3.769 124.186 120.400 0.029 0.000 2.649 450 D HA 0.319 4.959 4.640 0.000 0.000 0.249 450 D C -0.337 175.957 176.300 -0.010 0.000 1.112 450 D CA 0.183 54.189 54.000 0.010 0.000 0.850 450 D CB 1.651 42.459 40.800 0.014 0.000 1.399 450 D HN 0.804 nan 8.370 nan 0.000 0.503 451 Q N 2.152 121.942 119.800 -0.016 0.000 2.451 451 Q HA -0.221 4.119 4.340 0.000 0.000 0.305 451 Q C 0.183 176.153 176.000 -0.050 0.000 1.345 451 Q CA 0.613 56.400 55.803 -0.028 0.000 0.854 451 Q CB -2.013 26.711 28.738 -0.024 0.000 1.162 451 Q HN 0.763 nan 8.270 nan 0.000 0.440 452 c N -2.029 116.536 118.600 -0.058 0.000 4.358 452 c HA -0.230 4.340 4.570 0.000 0.000 0.287 452 c C 0.547 174.539 174.090 -0.163 0.000 1.414 452 c CA 1.135 57.405 56.329 -0.097 0.000 1.949 452 c CB -2.162 40.294 42.510 -0.091 0.000 1.274 452 c HN 0.529 nan 8.230 nan 0.000 0.793 453 R N -1.322 119.098 120.500 -0.134 0.000 2.621 453 R HA 0.571 4.912 4.340 0.000 0.000 0.284 453 R C -0.260 176.005 176.300 -0.058 0.000 0.998 453 R CA -0.692 55.296 56.100 -0.186 0.000 0.895 453 R CB 1.047 31.283 30.300 -0.106 0.000 1.195 453 R HN 0.337 nan 8.270 nan 0.000 0.450 454 F N 2.830 122.771 119.950 -0.015 0.000 2.612 454 F HA -0.053 4.474 4.527 0.000 0.000 0.389 454 F C 1.254 177.046 175.800 -0.013 0.000 1.055 454 F CA 0.284 58.275 58.000 -0.015 0.000 1.232 454 F CB 0.324 39.315 39.000 -0.016 0.000 1.044 454 F HN 0.189 nan 8.300 nan 0.000 0.560 455 K N 2.488 122.998 120.400 0.183 0.000 2.380 455 K HA 0.086 4.406 4.320 0.000 0.000 0.267 455 K C 0.642 177.289 176.600 0.079 0.000 0.990 455 K CA -0.121 56.221 56.287 0.092 0.000 0.946 455 K CB 0.419 32.953 32.500 0.056 0.000 0.937 455 K HN 0.805 nan 8.250 nan 0.000 0.491 456 G N 0.880 109.711 108.800 0.050 0.000 2.353 456 G HA2 0.213 4.173 3.960 0.000 0.000 0.239 456 G HA3 0.213 4.173 3.960 0.000 0.000 0.239 456 G C -0.144 174.767 174.900 0.018 0.000 1.295 456 G CA -0.373 44.748 45.100 0.036 0.000 0.884 456 G HN 0.697 nan 8.290 nan 0.000 0.537 457 A N 1.348 124.174 122.820 0.009 0.000 2.546 457 A HA 0.540 4.860 4.320 0.000 0.000 0.243 457 A C 1.655 179.233 177.584 -0.011 0.000 1.063 457 A CA 1.171 53.201 52.037 -0.012 0.000 0.757 457 A CB -0.122 18.868 19.000 -0.017 0.000 0.991 457 A HN 2.566 nan 8.150 nan 0.000 0.503 458 G N 1.866 110.655 108.800 -0.018 0.000 2.232 458 G HA2 -0.197 3.763 3.960 0.000 0.000 0.226 458 G HA3 -0.197 3.763 3.960 0.000 0.000 0.226 458 G C 0.475 175.368 174.900 -0.013 0.000 0.996 458 G CA 0.286 45.377 45.100 -0.016 0.000 0.626 458 G HN 1.207 nan 8.290 nan 0.000 0.509 459 T N 1.673 116.222 114.554 -0.008 0.000 2.901 459 T HA 0.429 4.779 4.350 0.000 0.000 0.301 459 T C 0.344 175.038 174.700 -0.010 0.000 1.012 459 T CA 0.321 62.418 62.100 -0.005 0.000 1.135 459 T CB 1.797 70.667 68.868 0.003 0.000 0.936 459 T HN 0.475 nan 8.240 nan 0.000 0.539 460 E N 0.930 121.124 120.200 -0.010 0.000 2.373 460 E HA 0.110 4.460 4.350 0.000 0.000 0.267 460 E C 0.850 177.443 176.600 -0.011 0.000 1.032 460 E CA -0.570 55.822 56.400 -0.014 0.000 0.889 460 E CB 0.381 30.074 29.700 -0.012 0.000 0.984 460 E HN 0.890 nan 8.360 nan 0.000 0.425 461 c N 4.172 122.761 118.600 -0.017 0.000 2.735 461 c HA 0.416 4.986 4.570 0.000 0.000 0.444 461 c C 0.821 174.904 174.090 -0.012 0.000 1.331 461 c CA -0.505 55.817 56.329 -0.012 0.000 2.225 461 c CB -0.138 42.363 42.510 -0.016 0.000 2.917 461 c HN 0.710 nan 8.230 nan 0.000 0.567 462 R N 1.342 121.829 120.500 -0.023 0.000 2.513 462 R HA 0.650 4.990 4.340 0.000 0.000 0.301 462 R C -0.099 176.187 176.300 -0.023 0.000 0.968 462 R CA 0.097 56.184 56.100 -0.022 0.000 0.872 462 R CB 1.673 31.952 30.300 -0.034 0.000 1.177 462 R HN 0.551 nan 8.270 nan 0.000 0.444 463 A N 2.896 125.709 122.820 -0.011 0.000 2.292 463 A HA 0.595 4.915 4.320 0.000 0.000 0.265 463 A C -0.248 177.332 177.584 -0.006 0.000 1.133 463 A CA -0.093 51.940 52.037 -0.007 0.000 0.807 463 A CB 0.340 19.342 19.000 0.002 0.000 1.102 463 A HN 0.828 nan 8.150 nan 0.000 0.502 464 A N -0.361 122.460 122.820 0.001 0.000 2.320 464 A HA 0.466 4.786 4.320 0.000 0.000 0.287 464 A C 1.053 178.652 177.584 0.026 0.000 1.181 464 A CA -0.017 52.028 52.037 0.012 0.000 0.831 464 A CB 0.163 19.173 19.000 0.016 0.000 1.102 464 A HN 0.859 nan 8.150 nan 0.000 0.513 465 K N 1.602 122.026 120.400 0.040 0.000 2.098 465 K HA 0.045 4.365 4.320 0.000 0.000 0.203 465 K C -0.237 176.393 176.600 0.050 0.000 1.051 465 K CA 1.224 57.539 56.287 0.047 0.000 0.957 465 K CB -0.131 32.406 32.500 0.061 0.000 0.738 465 K HN 0.754 nan 8.250 nan 0.000 0.447 466 D N -0.134 120.303 120.400 0.063 0.000 2.566 466 D HA -0.008 4.632 4.640 0.000 0.000 0.254 466 D C 0.098 176.434 176.300 0.060 0.000 1.090 466 D CA -0.938 53.096 54.000 0.058 0.000 1.034 466 D CB 0.894 41.733 40.800 0.064 0.000 1.434 466 D HN 0.184 nan 8.370 nan 0.000 0.509 467 E N -1.006 119.226 120.200 0.052 0.000 2.515 467 E HA -0.057 4.293 4.350 0.000 0.000 0.201 467 E C 0.257 176.898 176.600 0.069 0.000 1.071 467 E CA 0.306 56.738 56.400 0.052 0.000 0.880 467 E CB -0.395 29.331 29.700 0.043 0.000 0.828 467 E HN 0.354 nan 8.360 nan 0.000 0.540 468 c N 0.605 119.257 118.600 0.087 0.000 3.336 468 c HA 0.193 4.763 4.570 0.000 0.000 0.291 468 c C 0.371 174.561 174.090 0.166 0.000 1.363 468 c CA -0.604 55.792 56.329 0.112 0.000 1.737 468 c CB -0.451 42.119 42.510 0.101 0.000 2.274 468 c HN 0.376 nan 8.230 nan 0.000 0.663 469 D N 1.147 121.636 120.400 0.148 0.000 2.175 469 D HA 0.361 5.001 4.640 0.000 0.000 0.248 469 D C -0.534 175.804 176.300 0.063 0.000 1.047 469 D CA 0.122 54.214 54.000 0.153 0.000 0.883 469 D CB 0.749 41.621 40.800 0.121 0.000 1.180 469 D HN 0.199 nan 8.370 nan 0.000 0.438 470 M N 3.150 122.752 119.600 0.004 0.000 2.167 470 M HA 0.516 4.996 4.480 0.000 0.000 0.333 470 M C -0.602 175.659 176.300 -0.066 0.000 1.030 470 M CA -0.765 54.519 55.300 -0.026 0.000 0.963 470 M CB 1.393 33.975 32.600 -0.030 0.000 1.589 470 M HN 0.500 nan 8.290 nan 0.000 0.431 471 A N 4.468 127.265 122.820 -0.039 0.000 2.580 471 A HA 0.041 4.361 4.320 0.000 0.000 0.244 471 A C -0.384 177.162 177.584 -0.063 0.000 1.045 471 A CA 0.380 52.391 52.037 -0.043 0.000 0.761 471 A CB -0.246 18.739 19.000 -0.024 0.000 0.962 471 A HN 0.826 nan 8.150 nan 0.000 0.512 472 D N 1.263 121.618 120.400 -0.075 0.000 2.304 472 D HA 0.429 5.069 4.640 0.000 0.000 0.247 472 D C -0.187 176.079 176.300 -0.057 0.000 1.089 472 D CA 0.153 54.102 54.000 -0.083 0.000 0.910 472 D CB 1.595 42.336 40.800 -0.098 0.000 1.199 472 D HN 0.203 nan 8.370 nan 0.000 0.426 473 V N 1.353 121.233 119.914 -0.057 0.000 2.864 473 V HA 0.222 4.342 4.120 0.000 0.000 0.314 473 V C 0.070 176.135 176.094 -0.047 0.000 1.073 473 V CA -0.816 61.458 62.300 -0.044 0.000 0.956 473 V CB 2.251 34.050 31.823 -0.039 0.000 1.023 473 V HN 0.723 nan 8.190 nan 0.000 0.435 474 c N 2.239 120.815 118.600 -0.039 0.000 2.452 474 c HA 0.323 4.893 4.570 0.000 0.000 0.379 474 c C 2.032 176.088 174.090 -0.056 0.000 1.275 474 c CA 0.190 56.491 56.329 -0.046 0.000 2.056 474 c CB 0.683 43.177 42.510 -0.027 0.000 2.506 474 c HN 1.064 nan 8.230 nan 0.000 0.560 475 T N -0.513 113.991 114.554 -0.083 0.000 3.085 475 T HA 0.187 4.537 4.350 0.000 0.000 0.263 475 T C 1.599 176.241 174.700 -0.096 0.000 1.127 475 T CA 1.210 63.256 62.100 -0.090 0.000 1.103 475 T CB -0.214 68.586 68.868 -0.113 0.000 0.921 475 T HN 1.550 nan 8.240 nan 0.000 0.510 476 G N 2.084 110.824 108.800 -0.100 0.000 2.347 476 G HA2 -0.349 3.611 3.960 0.000 0.000 0.247 476 G HA3 -0.349 3.611 3.960 0.000 0.000 0.247 476 G C 1.136 175.948 174.900 -0.148 0.000 1.037 476 G CA 0.362 45.424 45.100 -0.063 0.000 0.622 476 G HN 0.573 nan 8.290 nan 0.000 0.521 477 R N 0.228 120.560 120.500 -0.280 0.000 2.362 477 R HA 0.476 4.816 4.340 0.000 0.000 0.227 477 R C 0.831 176.592 176.300 -0.898 0.000 0.905 477 R CA 0.719 56.558 56.100 -0.435 0.000 1.067 477 R CB 0.736 30.921 30.300 -0.191 0.000 1.078 477 R HN 0.326 nan 8.270 nan 0.000 0.516 478 S N -1.244 113.941 115.700 -0.857 0.000 2.677 478 S HA 0.607 5.077 4.470 0.000 0.000 0.304 478 S C 0.333 174.546 174.600 -0.645 0.000 1.108 478 S CA -0.402 57.362 58.200 -0.727 0.000 0.944 478 S CB 1.914 64.918 63.200 -0.326 0.000 1.127 478 S HN 0.143 nan 8.310 nan 0.000 0.511 479 A N 1.104 123.769 122.820 -0.258 0.000 2.014 479 A HA 0.294 4.615 4.320 0.000 0.000 0.210 479 A C 0.755 178.335 177.584 -0.006 0.000 1.188 479 A CA 0.398 52.454 52.037 0.032 0.000 0.731 479 A CB -0.600 18.499 19.000 0.165 0.000 0.858 479 A HN 0.881 nan 8.150 nan 0.000 0.464 480 E N -1.689 118.480 120.200 -0.052 0.000 2.385 480 E HA 0.405 4.755 4.350 0.000 0.000 0.254 480 E C -0.698 175.871 176.600 -0.053 0.000 1.228 480 E CA -0.602 55.774 56.400 -0.040 0.000 0.956 480 E CB 0.990 30.662 29.700 -0.045 0.000 1.116 480 E HN 0.159 nan 8.360 nan 0.000 0.507 481 c N 2.597 121.170 118.600 -0.044 0.000 3.362 481 c HA 0.286 4.856 4.570 0.000 0.000 0.276 481 c C -0.123 173.931 174.090 -0.061 0.000 1.102 481 c CA 0.064 56.361 56.329 -0.053 0.000 1.361 481 c CB -0.959 41.527 42.510 -0.040 0.000 1.822 481 c HN 0.808 nan 8.230 nan 0.000 0.538 482 T N 0.572 115.084 114.554 -0.069 0.000 2.906 482 T HA 0.070 4.420 4.350 0.000 0.000 0.329 482 T C -0.075 174.552 174.700 -0.121 0.000 1.091 482 T CA 0.462 62.514 62.100 -0.079 0.000 1.127 482 T CB 0.571 69.395 68.868 -0.073 0.000 1.035 482 T HN 0.742 nan 8.240 nan 0.000 0.547 483 D N 0.744 121.047 120.400 -0.162 0.000 2.177 483 D HA 0.345 4.985 4.640 0.000 0.000 0.247 483 D C -0.234 175.765 176.300 -0.501 0.000 1.063 483 D CA -0.593 53.223 54.000 -0.306 0.000 0.867 483 D CB 1.266 41.884 40.800 -0.303 0.000 1.168 483 D HN 0.646 nan 8.370 nan 0.000 0.445 484 R N 2.789 122.932 120.500 -0.594 0.000 2.795 484 R HA 0.534 4.874 4.340 0.000 0.000 0.275 484 R C -1.122 174.748 176.300 -0.717 0.000 0.981 484 R CA -0.576 55.183 56.100 -0.569 0.000 0.917 484 R CB 1.145 31.308 30.300 -0.228 0.000 1.202 484 R HN 0.255 nan 8.270 nan 0.000 0.469 485 F N 0.249 120.185 119.950 -0.024 0.000 2.618 485 F HA 0.408 4.935 4.527 0.000 0.000 0.332 485 F C 0.370 176.157 175.800 -0.021 0.000 1.061 485 F CA -1.127 56.862 58.000 -0.018 0.000 0.974 485 F CB 0.757 39.744 39.000 -0.022 0.000 1.310 485 F HN 0.214 nan 8.300 nan 0.000 0.491 486 Q N 0.614 120.528 119.800 0.190 0.000 2.614 486 Q HA 0.056 4.396 4.340 0.000 0.000 0.244 486 Q C -0.018 176.026 176.000 0.073 0.000 1.097 486 Q CA -0.003 55.859 55.803 0.098 0.000 0.986 486 Q CB 0.416 29.207 28.738 0.089 0.000 1.308 486 Q HN 0.589 nan 8.270 nan 0.000 0.546 487 R N 1.340 121.856 120.500 0.025 0.000 2.389 487 R HA 0.070 4.410 4.340 0.000 0.000 0.295 487 R C -0.211 176.060 176.300 -0.050 0.000 1.075 487 R CA -0.036 56.050 56.100 -0.025 0.000 1.005 487 R CB 0.309 30.585 30.300 -0.040 0.000 0.987 487 R HN 0.552 nan 8.270 nan 0.000 0.452 488 N N 1.941 120.565 118.700 -0.127 0.000 2.292 488 N HA -0.063 4.677 4.740 0.000 0.000 0.242 488 N C 0.739 176.134 175.510 -0.191 0.000 1.243 488 N CA 1.116 54.059 53.050 -0.178 0.000 0.851 488 N CB 0.364 38.544 38.487 -0.512 0.000 1.093 488 N HN 0.898 nan 8.380 nan 0.000 0.450 489 G N 0.291 109.137 108.800 0.076 0.000 2.213 489 G HA2 -0.299 3.661 3.960 0.000 0.000 0.236 489 G HA3 -0.299 3.661 3.960 0.000 0.000 0.236 489 G C 0.127 175.092 174.900 0.108 0.000 0.991 489 G CA -0.144 45.007 45.100 0.084 0.000 0.629 489 G HN 0.612 nan 8.290 nan 0.000 0.517 490 Q N 2.670 122.555 119.800 0.141 0.000 2.262 490 Q HA 0.448 4.788 4.340 0.000 0.000 0.272 490 Q C -1.837 174.320 176.000 0.262 0.000 1.076 490 Q CA -1.809 54.085 55.803 0.152 0.000 0.905 490 Q CB 0.631 29.429 28.738 0.100 0.000 1.182 490 Q HN 0.372 nan 8.270 nan 0.000 0.390 491 P HA -0.065 nan 4.420 nan 0.000 0.262 491 P C -0.713 176.655 177.300 0.113 0.000 1.182 491 P CA 0.067 63.332 63.100 0.276 0.000 0.761 491 P CB 0.128 31.969 31.700 0.235 0.000 0.795 492 c N 0.716 119.335 118.600 0.032 0.000 3.080 492 c HA 0.563 5.133 4.570 0.000 0.000 0.307 492 c C -0.091 173.979 174.090 -0.034 0.000 1.311 492 c CA -1.187 55.150 56.329 0.014 0.000 1.533 492 c CB 0.902 43.435 42.510 0.037 0.000 1.970 492 c HN 0.630 nan 8.230 nan 0.000 0.467 493 K N 2.159 122.549 120.400 -0.016 0.000 4.405 493 K HA -0.173 4.147 4.320 0.000 0.000 0.287 493 K C -0.174 176.403 176.600 -0.039 0.000 0.905 493 K CA 0.922 57.193 56.287 -0.026 0.000 0.867 493 K CB -1.265 31.214 32.500 -0.035 0.000 1.652 493 K HN 0.854 nan 8.250 nan 0.000 0.435 494 N N 1.809 120.495 118.700 -0.023 0.000 2.707 494 N HA -0.224 4.516 4.740 0.000 0.000 0.253 494 N C -0.642 174.843 175.510 -0.042 0.000 0.998 494 N CA 1.403 54.439 53.050 -0.023 0.000 0.751 494 N CB -0.879 37.596 38.487 -0.020 0.000 0.920 494 N HN 0.679 nan 8.380 nan 0.000 0.539 495 N N -0.884 117.783 118.700 -0.055 0.000 2.725 495 N HA -0.197 4.543 4.740 0.000 0.000 0.251 495 N C -0.070 175.345 175.510 -0.157 0.000 1.031 495 N CA 0.577 53.570 53.050 -0.095 0.000 0.720 495 N CB -0.862 37.605 38.487 -0.033 0.000 0.930 495 N HN 0.577 nan 8.380 nan 0.000 0.543 496 N N -0.590 118.001 118.700 -0.180 0.000 2.184 496 N HA 0.191 4.931 4.740 0.000 0.000 0.206 496 N C 1.087 176.442 175.510 -0.258 0.000 1.151 496 N CA 0.815 53.760 53.050 -0.175 0.000 0.878 496 N CB 1.441 39.866 38.487 -0.103 0.000 1.014 496 N HN 0.500 nan 8.380 nan 0.000 0.512 497 G N -0.488 108.075 108.800 -0.395 0.000 2.554 497 G HA2 0.541 4.501 3.960 0.000 0.000 0.306 497 G HA3 0.541 4.501 3.960 0.000 0.000 0.306 497 G C -2.230 172.271 174.900 -0.665 0.000 1.320 497 G CA -0.542 44.281 45.100 -0.462 0.000 0.800 497 G HN 0.054 nan 8.290 nan 0.000 0.481 498 Y N -0.635 119.700 120.300 0.058 0.000 2.386 498 Y HA 0.400 4.950 4.550 0.000 0.000 0.334 498 Y C 0.677 176.670 175.900 0.155 0.000 1.002 498 Y CA -1.063 57.102 58.100 0.108 0.000 1.068 498 Y CB 1.795 40.344 38.460 0.148 0.000 1.203 498 Y HN 0.659 nan 8.280 nan 0.000 0.443 499 c N 2.772 121.543 118.600 0.286 0.000 2.494 499 c HA -0.129 4.441 4.570 0.000 0.000 0.399 499 c C -0.059 174.224 174.090 0.323 0.000 1.388 499 c CA 0.419 56.881 56.329 0.222 0.000 1.657 499 c CB -1.358 41.243 42.510 0.152 0.000 2.585 499 c HN 0.712 nan 8.230 nan 0.000 0.601 500 Y N 3.344 123.698 120.300 0.090 0.000 2.400 500 Y HA 0.284 4.834 4.550 0.000 0.000 0.335 500 Y C 0.400 176.276 175.900 -0.039 0.000 1.066 500 Y CA -0.900 57.260 58.100 0.100 0.000 1.285 500 Y CB -0.234 38.302 38.460 0.126 0.000 1.103 500 Y HN 0.971 nan 8.280 nan 0.000 0.490 501 N N 3.938 122.411 118.700 -0.378 0.000 2.740 501 N HA -0.251 4.489 4.740 0.000 0.000 0.248 501 N C 0.950 175.996 175.510 -0.774 0.000 1.062 501 N CA 0.721 53.448 53.050 -0.538 0.000 0.704 501 N CB -1.008 37.079 38.487 -0.666 0.000 0.968 501 N HN 1.200 nan 8.380 nan 0.000 0.547 502 G N -1.444 107.061 108.800 -0.492 0.000 2.284 502 G HA2 -0.328 3.632 3.960 0.000 0.000 0.230 502 G HA3 -0.328 3.632 3.960 0.000 0.000 0.230 502 G C 0.164 174.974 174.900 -0.150 0.000 1.021 502 G CA 0.833 45.660 45.100 -0.454 0.000 0.619 502 G HN 0.345 nan 8.290 nan 0.000 0.510 503 K N -0.363 119.956 120.400 -0.135 0.000 2.106 503 K HA 0.729 5.049 4.320 0.000 0.000 0.246 503 K C -0.109 176.527 176.600 0.059 0.000 0.987 503 K CA -0.342 55.935 56.287 -0.017 0.000 0.904 503 K CB 1.798 34.292 32.500 -0.011 0.000 1.071 503 K HN 0.409 nan 8.250 nan 0.000 0.453 504 c N 4.216 122.847 118.600 0.051 0.000 2.787 504 c HA 0.420 4.990 4.570 0.000 0.000 0.265 504 c C -2.435 171.672 174.090 0.028 0.000 1.190 504 c CA -2.306 54.054 56.329 0.053 0.000 1.616 504 c CB -0.707 41.820 42.510 0.030 0.000 1.732 504 c HN 0.531 nan 8.230 nan 0.000 0.433 505 P HA 0.114 nan 4.420 nan 0.000 0.259 505 P C -0.426 176.857 177.300 -0.028 0.000 1.211 505 P CA 0.654 63.755 63.100 0.002 0.000 0.810 505 P CB 0.276 31.970 31.700 -0.010 0.000 0.815 506 I N 4.464 125.017 120.570 -0.028 0.000 2.412 506 I HA 0.247 4.417 4.170 0.000 0.000 0.296 506 I C 2.023 178.128 176.117 -0.020 0.000 0.987 506 I CA -1.238 60.039 61.300 -0.038 0.000 1.180 506 I CB 1.453 39.431 38.000 -0.037 0.000 1.340 506 I HN 0.351 nan 8.210 nan 0.000 0.455 507 M N 4.034 123.623 119.600 -0.017 0.000 2.358 507 M HA -0.141 4.339 4.480 0.000 0.000 0.264 507 M C 1.840 178.165 176.300 0.043 0.000 1.064 507 M CA 1.609 56.922 55.300 0.022 0.000 1.093 507 M CB 0.242 32.858 32.600 0.028 0.000 1.401 507 M HN 0.799 nan 8.290 nan 0.000 0.440 508 A N 0.123 122.954 122.820 0.020 0.000 1.874 508 A HA -0.136 4.184 4.320 0.000 0.000 0.214 508 A C 1.704 179.301 177.584 0.022 0.000 1.189 508 A CA 1.639 53.691 52.037 0.025 0.000 0.615 508 A CB -0.673 18.331 19.000 0.008 0.000 0.830 508 A HN 0.472 nan 8.150 nan 0.000 0.443 509 D N -0.180 120.224 120.400 0.006 0.000 2.178 509 D HA -0.150 4.490 4.640 0.000 0.000 0.201 509 D C 2.062 178.363 176.300 0.001 0.000 0.980 509 D CA 1.235 55.234 54.000 -0.001 0.000 0.842 509 D CB -0.294 40.499 40.800 -0.012 0.000 0.948 509 D HN 0.612 nan 8.370 nan 0.000 0.472 510 Q N -0.118 119.686 119.800 0.006 0.000 2.124 510 Q HA -0.105 4.235 4.340 0.000 0.000 0.202 510 Q C 2.429 178.449 176.000 0.033 0.000 0.977 510 Q CA 0.896 56.698 55.803 -0.002 0.000 0.850 510 Q CB -0.068 28.672 28.738 0.002 0.000 0.901 510 Q HN 0.305 nan 8.270 nan 0.000 0.429 511 c N 0.290 118.943 118.600 0.088 0.000 2.440 511 c HA -0.062 4.508 4.570 0.000 0.000 0.278 511 c C 2.437 176.645 174.090 0.196 0.000 1.295 511 c CA 0.344 56.786 56.329 0.189 0.000 1.738 511 c CB -0.684 41.895 42.510 0.116 0.000 1.987 511 c HN 0.481 nan 8.230 nan 0.000 0.492 512 I N 1.156 121.777 120.570 0.085 0.000 2.614 512 I HA -0.137 4.033 4.170 0.000 0.000 0.258 512 I C 2.558 178.691 176.117 0.027 0.000 1.189 512 I CA 1.358 62.691 61.300 0.056 0.000 1.462 512 I CB -0.380 37.629 38.000 0.016 0.000 1.092 512 I HN 0.279 nan 8.210 nan 0.000 0.442 513 A N 0.415 123.230 122.820 -0.008 0.000 2.030 513 A HA 0.096 4.416 4.320 0.000 0.000 0.215 513 A C 2.178 179.675 177.584 -0.146 0.000 1.164 513 A CA 0.661 52.654 52.037 -0.073 0.000 0.697 513 A CB -0.208 18.736 19.000 -0.093 0.000 0.827 513 A HN 0.350 nan 8.150 nan 0.000 0.457 514 L N -2.679 118.447 121.223 -0.161 0.000 2.253 514 L HA 0.145 4.485 4.340 0.000 0.000 0.205 514 L C 1.583 178.188 176.870 -0.442 0.000 1.078 514 L CA 0.807 55.364 54.840 -0.471 0.000 0.805 514 L CB -0.081 41.611 42.059 -0.611 0.000 0.963 514 L HN 0.399 nan 8.230 nan 0.000 0.459 515 F N -0.700 119.263 119.950 0.021 0.000 2.752 515 F HA 0.484 5.011 4.527 0.000 0.000 0.310 515 F C 1.192 176.993 175.800 0.001 0.000 1.097 515 F CA 0.181 58.208 58.000 0.043 0.000 1.238 515 F CB 0.388 39.406 39.000 0.030 0.000 1.061 515 F HN 0.033 nan 8.300 nan 0.000 0.591 516 G N 0.377 109.261 108.800 0.139 0.000 2.525 516 G HA2 -0.070 3.890 3.960 0.000 0.000 0.685 516 G HA3 -0.070 3.890 3.960 0.000 0.000 0.685 516 G C -2.985 171.940 174.900 0.042 0.000 1.290 516 G CA -1.572 43.565 45.100 0.061 0.000 0.915 516 G HN -0.133 nan 8.290 nan 0.000 0.548 517 P HA 0.324 nan 4.420 nan 0.000 0.266 517 P C 1.244 178.532 177.300 -0.020 0.000 1.186 517 P CA 2.473 65.569 63.100 -0.007 0.000 0.767 517 P CB 0.533 32.225 31.700 -0.013 0.000 0.820 518 G N 1.110 109.891 108.800 -0.032 0.000 2.284 518 G HA2 -0.254 3.706 3.960 0.000 0.000 0.247 518 G HA3 -0.254 3.706 3.960 0.000 0.000 0.247 518 G C 0.506 175.350 174.900 -0.093 0.000 1.012 518 G CA 0.078 45.141 45.100 -0.062 0.000 0.618 518 G HN 0.870 nan 8.290 nan 0.000 0.521 519 A N 0.628 123.409 122.820 -0.065 0.000 2.498 519 A HA 0.631 4.951 4.320 0.000 0.000 0.239 519 A C 0.848 178.398 177.584 -0.057 0.000 1.068 519 A CA 1.776 53.761 52.037 -0.087 0.000 0.766 519 A CB 0.142 19.150 19.000 0.013 0.000 1.003 519 A HN 1.969 nan 8.150 nan 0.000 0.497 520 T N -1.327 113.188 114.554 -0.065 0.000 2.883 520 T HA 0.572 4.922 4.350 0.000 0.000 0.296 520 T C -0.490 174.257 174.700 0.079 0.000 1.117 520 T CA -0.772 61.343 62.100 0.025 0.000 1.006 520 T CB 0.825 69.731 68.868 0.063 0.000 1.191 520 T HN 0.686 nan 8.240 nan 0.000 0.508 521 V N 2.550 122.530 119.914 0.109 0.000 2.572 521 V HA 0.283 4.403 4.120 0.000 0.000 0.291 521 V C 0.948 177.160 176.094 0.196 0.000 1.039 521 V CA -0.364 62.037 62.300 0.168 0.000 1.055 521 V CB 0.705 32.628 31.823 0.166 0.000 0.969 521 V HN 1.059 nan 8.190 nan 0.000 0.482 522 S N 4.145 119.975 115.700 0.216 0.000 2.579 522 S HA 0.160 4.630 4.470 0.000 0.000 0.275 522 S C 0.314 175.027 174.600 0.188 0.000 1.345 522 S CA -0.597 57.682 58.200 0.132 0.000 1.031 522 S CB 0.421 63.634 63.200 0.021 0.000 0.892 522 S HN 0.887 nan 8.310 nan 0.000 0.529 523 Q N 1.571 121.387 119.800 0.028 0.000 2.479 523 Q HA 0.048 4.388 4.340 0.000 0.000 0.267 523 Q C -0.115 175.937 176.000 0.086 0.000 1.071 523 Q CA -0.299 55.512 55.803 0.014 0.000 0.935 523 Q CB 0.291 28.983 28.738 -0.077 0.000 1.295 523 Q HN 0.472 nan 8.270 nan 0.000 0.476 524 D N 1.666 122.077 120.400 0.018 0.000 2.126 524 D HA -0.271 4.369 4.640 0.000 0.000 0.190 524 D C 1.943 178.256 176.300 0.023 0.000 1.001 524 D CA 2.239 56.238 54.000 -0.001 0.000 0.841 524 D CB -0.782 39.972 40.800 -0.076 0.000 0.949 524 D HN 0.744 nan 8.370 nan 0.000 0.446 525 A N 0.433 123.211 122.820 -0.070 0.000 1.985 525 A HA -0.319 4.001 4.320 0.000 0.000 0.223 525 A C 2.556 179.950 177.584 -0.315 0.000 1.189 525 A CA 1.958 53.905 52.037 -0.150 0.000 0.658 525 A CB -1.220 17.686 19.000 -0.156 0.000 0.820 525 A HN 0.428 nan 8.150 nan 0.000 0.464 526 c N -2.074 116.307 118.600 -0.365 0.000 2.432 526 c HA -0.101 4.469 4.570 0.000 0.000 0.277 526 c C 2.297 175.686 174.090 -1.169 0.000 1.249 526 c CA 0.955 56.798 56.329 -0.810 0.000 1.725 526 c CB -1.746 40.378 42.510 -0.643 0.000 2.028 526 c HN 0.660 nan 8.230 nan 0.000 0.477 527 F N 0.784 120.302 119.950 -0.719 0.000 2.494 527 F HA -0.120 4.407 4.527 0.000 0.000 0.298 527 F C 2.453 178.097 175.800 -0.260 0.000 1.106 527 F CA 0.923 58.636 58.000 -0.479 0.000 1.452 527 F CB -0.780 38.154 39.000 -0.109 0.000 1.085 527 F HN 0.300 nan 8.300 nan 0.000 0.569 528 Q N -0.406 119.322 119.800 -0.119 0.000 2.364 528 Q HA -0.124 4.216 4.340 0.000 0.000 0.209 528 Q C 2.073 178.183 176.000 0.183 0.000 0.977 528 Q CA 0.990 56.805 55.803 0.020 0.000 0.885 528 Q CB -0.695 28.038 28.738 -0.008 0.000 0.941 528 Q HN 0.511 nan 8.270 nan 0.000 0.464 529 F N 0.181 120.069 119.950 -0.103 0.000 2.699 529 F HA -0.078 4.449 4.527 0.000 0.000 0.298 529 F C 1.597 177.450 175.800 0.089 0.000 1.154 529 F CA -0.003 58.010 58.000 0.022 0.000 1.457 529 F CB 0.063 39.153 39.000 0.150 0.000 1.106 529 F HN 0.271 nan 8.300 nan 0.000 0.585 530 N N 0.313 119.195 118.700 0.304 0.000 2.416 530 N HA -0.057 4.683 4.740 0.000 0.000 0.177 530 N C 1.476 177.075 175.510 0.148 0.000 1.036 530 N CA 0.056 53.246 53.050 0.234 0.000 0.901 530 N CB 0.047 38.693 38.487 0.264 0.000 0.976 530 N HN 0.243 nan 8.380 nan 0.000 0.444 531 R N 0.855 121.435 120.500 0.132 0.000 2.280 531 R HA 0.009 4.349 4.340 0.000 0.000 0.207 531 R C 0.925 177.259 176.300 0.058 0.000 1.043 531 R CA 0.603 56.756 56.100 0.089 0.000 1.006 531 R CB 0.109 30.457 30.300 0.080 0.000 0.885 531 R HN 0.255 nan 8.270 nan 0.000 0.467 532 E N -0.035 120.190 120.200 0.042 0.000 2.358 532 E HA -0.009 4.341 4.350 0.000 0.000 0.195 532 E C 1.322 177.909 176.600 -0.021 0.000 1.010 532 E CA 0.718 57.108 56.400 -0.017 0.000 0.856 532 E CB 0.001 29.646 29.700 -0.092 0.000 0.795 532 E HN 0.453 nan 8.360 nan 0.000 0.504 533 G N 2.924 111.736 108.800 0.021 0.000 2.269 533 G HA2 -0.377 3.583 3.960 0.000 0.000 0.277 533 G HA3 -0.377 3.583 3.960 0.000 0.000 0.277 533 G C 0.379 175.281 174.900 0.004 0.000 1.008 533 G CA 0.963 46.093 45.100 0.050 0.000 0.774 533 G HN 0.497 nan 8.290 nan 0.000 0.511 534 N N -1.467 117.194 118.700 -0.065 0.000 2.285 534 N HA 0.168 4.908 4.740 0.000 0.000 0.278 534 N C 1.458 176.962 175.510 -0.010 0.000 1.289 534 N CA 0.391 53.384 53.050 -0.095 0.000 0.934 534 N CB -0.206 38.145 38.487 -0.227 0.000 1.048 534 N HN 0.100 nan 8.380 nan 0.000 0.499 535 H N -1.229 117.785 119.070 -0.093 0.000 2.387 535 H HA -0.143 4.413 4.556 0.000 0.000 0.299 535 H C 1.083 176.521 175.328 0.183 0.000 1.090 535 H CA 2.091 58.149 56.048 0.017 0.000 1.332 535 H CB 0.053 29.806 29.762 -0.016 0.000 1.386 535 H HN 0.795 nan 8.280 nan 0.000 0.516 536 Y N -1.685 118.808 120.300 0.323 0.000 2.607 536 Y HA 0.408 4.958 4.550 0.000 0.000 0.276 536 Y C 1.518 177.456 175.900 0.062 0.000 1.117 536 Y CA 0.013 58.247 58.100 0.223 0.000 1.273 536 Y CB -0.451 38.060 38.460 0.084 0.000 1.282 536 Y HN 0.019 nan 8.280 nan 0.000 0.514 537 G N 1.720 110.231 108.800 -0.482 0.000 2.519 537 G HA2 0.418 4.378 3.960 0.000 0.000 0.306 537 G HA3 0.418 4.378 3.960 0.000 0.000 0.306 537 G C -1.282 173.653 174.900 0.059 0.000 0.965 537 G CA 0.033 45.052 45.100 -0.135 0.000 1.291 537 G HN 0.560 nan 8.290 nan 0.000 0.450 538 Y N -1.212 119.131 120.300 0.071 0.000 2.750 538 Y HA 0.554 5.104 4.550 0.000 0.000 0.335 538 Y C -0.021 175.930 175.900 0.084 0.000 1.252 538 Y CA -1.400 56.731 58.100 0.053 0.000 1.064 538 Y CB 0.393 38.859 38.460 0.010 0.000 1.321 538 Y HN 0.121 nan 8.280 nan 0.000 0.451 539 c N 0.122 118.907 118.600 0.309 0.000 2.378 539 c HA 0.394 4.964 4.570 0.000 0.000 0.389 539 c C 0.309 174.550 174.090 0.251 0.000 1.394 539 c CA 0.591 57.039 56.329 0.197 0.000 2.275 539 c CB -0.050 42.538 42.510 0.130 0.000 2.567 539 c HN 0.841 nan 8.230 nan 0.000 0.556 540 R N 0.743 121.397 120.500 0.256 0.000 2.795 540 R HA 0.532 4.872 4.340 0.000 0.000 0.275 540 R C -1.039 175.307 176.300 0.077 0.000 0.981 540 R CA -0.539 55.658 56.100 0.162 0.000 0.917 540 R CB 1.255 31.603 30.300 0.080 0.000 1.202 540 R HN -0.023 nan 8.270 nan 0.000 0.469 541 K N 1.742 122.156 120.400 0.023 0.000 2.800 541 K HA 0.084 4.404 4.320 0.000 0.000 0.185 541 K C 0.187 176.758 176.600 -0.047 0.000 1.082 541 K CA -0.307 55.927 56.287 -0.087 0.000 0.978 541 K CB 0.634 33.070 32.500 -0.106 0.000 1.364 541 K HN 0.614 nan 8.250 nan 0.000 0.592 542 E N 0.918 121.098 120.200 -0.034 0.000 2.110 542 E HA -0.337 4.013 4.350 0.000 0.000 0.225 542 E C 1.275 177.859 176.600 -0.027 0.000 1.063 542 E CA 1.939 58.326 56.400 -0.022 0.000 0.906 542 E CB 0.135 29.823 29.700 -0.021 0.000 0.795 542 E HN 0.694 nan 8.360 nan 0.000 0.479 543 Q N -1.433 118.343 119.800 -0.040 0.000 2.527 543 Q HA 0.081 4.421 4.340 0.000 0.000 0.194 543 Q C 0.948 176.919 176.000 -0.049 0.000 0.963 543 Q CA 0.320 56.101 55.803 -0.037 0.000 0.861 543 Q CB 0.739 29.457 28.738 -0.034 0.000 1.051 543 Q HN 0.078 nan 8.270 nan 0.000 0.605 544 N N -0.238 118.422 118.700 -0.066 0.000 1.900 544 N HA 0.054 4.794 4.740 0.000 0.000 0.227 544 N C -0.568 174.870 175.510 -0.120 0.000 1.411 544 N CA 0.661 53.662 53.050 -0.081 0.000 0.780 544 N CB 1.330 39.783 38.487 -0.058 0.000 1.082 544 N HN 0.354 nan 8.380 nan 0.000 0.505 545 T N -0.638 113.844 114.554 -0.120 0.000 2.810 545 T HA 0.510 4.860 4.350 0.000 0.000 0.277 545 T C 0.006 174.568 174.700 -0.229 0.000 0.973 545 T CA -0.289 61.724 62.100 -0.145 0.000 0.949 545 T CB 1.657 70.466 68.868 -0.097 0.000 1.075 545 T HN -0.149 nan 8.240 nan 0.000 0.537 546 K N 0.882 121.131 120.400 -0.252 0.000 2.450 546 K HA 0.460 4.780 4.320 0.000 0.000 0.257 546 K C -0.910 175.601 176.600 -0.148 0.000 0.953 546 K CA -0.785 55.283 56.287 -0.365 0.000 0.844 546 K CB 1.367 33.524 32.500 -0.572 0.000 1.103 546 K HN 0.430 nan 8.250 nan 0.000 0.429 547 I N 2.872 123.400 120.570 -0.069 0.000 2.325 547 I HA 0.197 4.367 4.170 0.000 0.000 0.291 547 I C 0.781 176.947 176.117 0.081 0.000 1.019 547 I CA -0.619 60.686 61.300 0.009 0.000 1.302 547 I CB 0.807 38.816 38.000 0.016 0.000 1.401 547 I HN 0.691 nan 8.210 nan 0.000 0.485 548 A N 6.294 129.153 122.820 0.066 0.000 2.498 548 A HA 0.155 4.475 4.320 0.000 0.000 0.239 548 A C 0.432 178.070 177.584 0.089 0.000 1.068 548 A CA -0.204 51.886 52.037 0.088 0.000 0.766 548 A CB -0.047 18.985 19.000 0.053 0.000 1.003 548 A HN 0.836 nan 8.150 nan 0.000 0.497 549 c N 2.221 120.886 118.600 0.108 0.000 2.679 549 c HA 0.198 4.768 4.570 0.000 0.000 0.417 549 c C 1.007 175.136 174.090 0.066 0.000 1.302 549 c CA -0.533 55.852 56.329 0.093 0.000 1.973 549 c CB -0.631 41.945 42.510 0.111 0.000 2.715 549 c HN 0.810 nan 8.230 nan 0.000 0.628 550 E N 2.249 122.479 120.200 0.051 0.000 2.373 550 E HA 0.107 4.457 4.350 0.000 0.000 0.263 550 E C -1.469 175.151 176.600 0.035 0.000 1.073 550 E CA -1.383 55.038 56.400 0.036 0.000 0.894 550 E CB 0.261 29.976 29.700 0.025 0.000 1.008 550 E HN 0.374 nan 8.360 nan 0.000 0.420 551 P HA -0.198 nan 4.420 nan 0.000 0.218 551 P C 0.801 178.110 177.300 0.014 0.000 1.146 551 P CA 1.487 64.601 63.100 0.022 0.000 0.820 551 P CB 0.268 31.977 31.700 0.015 0.000 0.778 552 Q N -1.659 118.147 119.800 0.010 0.000 2.201 552 Q HA 0.106 4.447 4.340 0.000 0.000 0.236 552 Q C -0.187 175.812 176.000 -0.001 0.000 0.857 552 Q CA 0.486 56.288 55.803 -0.002 0.000 1.025 552 Q CB -0.405 28.330 28.738 -0.005 0.000 1.124 552 Q HN 0.198 nan 8.270 nan 0.000 0.473 553 D N 0.505 120.914 120.400 0.015 0.000 2.539 553 D HA 0.044 4.684 4.640 0.000 0.000 0.232 553 D C 1.636 177.966 176.300 0.050 0.000 1.256 553 D CA 0.365 54.378 54.000 0.021 0.000 0.810 553 D CB 1.105 41.922 40.800 0.028 0.000 1.090 553 D HN 0.152 nan 8.370 nan 0.000 0.519 554 V N 0.059 120.009 119.914 0.060 0.000 2.282 554 V HA -0.205 3.915 4.120 0.000 0.000 0.249 554 V C 1.564 177.774 176.094 0.193 0.000 1.057 554 V CA 1.273 63.652 62.300 0.131 0.000 1.032 554 V CB -0.847 31.048 31.823 0.119 0.000 0.645 554 V HN -0.025 nan 8.190 nan 0.000 0.447 555 K N -0.603 119.807 120.400 0.017 0.000 2.743 555 K HA 0.176 4.496 4.320 0.000 0.000 0.219 555 K C 0.712 177.332 176.600 0.034 0.000 1.003 555 K CA 0.595 56.816 56.287 -0.110 0.000 1.156 555 K CB -0.474 31.779 32.500 -0.411 0.000 0.932 555 K HN 0.617 nan 8.250 nan 0.000 0.490 556 c N -1.396 117.267 118.600 0.104 0.000 3.785 556 c HA 0.201 4.771 4.570 0.000 0.000 0.312 556 c C 1.515 175.656 174.090 0.086 0.000 1.566 556 c CA -0.745 55.622 56.329 0.064 0.000 1.837 556 c CB 0.016 42.535 42.510 0.015 0.000 2.826 556 c HN 0.662 nan 8.230 nan 0.000 0.667 557 G N 0.657 109.544 108.800 0.144 0.000 3.380 557 G HA2 0.369 4.329 3.960 0.000 0.000 0.188 557 G HA3 0.369 4.329 3.960 0.000 0.000 0.188 557 G C -0.053 174.855 174.900 0.012 0.000 1.892 557 G CA -0.103 45.038 45.100 0.068 0.000 0.912 557 G HN 0.292 nan 8.290 nan 0.000 0.609 558 R N -0.255 120.222 120.500 -0.039 0.000 2.438 558 R HA 0.384 4.724 4.340 0.000 0.000 0.287 558 R C -0.644 175.551 176.300 -0.176 0.000 1.077 558 R CA -0.593 55.404 56.100 -0.171 0.000 1.034 558 R CB 0.546 30.684 30.300 -0.271 0.000 0.993 558 R HN 0.227 nan 8.270 nan 0.000 0.459 559 L N 5.896 127.020 121.223 -0.165 0.000 2.278 559 L HA 0.304 4.644 4.340 0.000 0.000 0.287 559 L C -1.413 175.260 176.870 -0.328 0.000 1.072 559 L CA 0.019 54.812 54.840 -0.080 0.000 0.819 559 L CB 0.159 42.252 42.059 0.057 0.000 1.176 559 L HN 0.567 nan 8.230 nan 0.000 0.435 560 Y N 4.513 124.519 120.300 -0.491 0.000 2.367 560 Y HA 0.446 4.996 4.550 0.000 0.000 0.342 560 Y C 0.528 176.285 175.900 -0.239 0.000 0.979 560 Y CA -0.324 57.510 58.100 -0.443 0.000 1.161 560 Y CB 0.901 38.899 38.460 -0.769 0.000 1.155 560 Y HN 0.569 nan 8.280 nan 0.000 0.503 561 c N 3.290 121.828 118.600 -0.103 0.000 2.505 561 c HA 0.611 5.181 4.570 0.000 0.000 0.358 561 c C -0.671 173.315 174.090 -0.174 0.000 1.226 561 c CA -1.033 55.187 56.329 -0.182 0.000 1.900 561 c CB 1.334 43.568 42.510 -0.460 0.000 2.306 561 c HN 0.740 nan 8.230 nan 0.000 0.512 562 F N 3.598 123.365 119.950 -0.305 0.000 2.941 562 F HA 0.424 4.951 4.527 0.000 0.000 0.359 562 F C -2.572 173.110 175.800 -0.197 0.000 1.231 562 F CA -2.580 55.280 58.000 -0.234 0.000 1.089 562 F CB 1.260 40.185 39.000 -0.125 0.000 1.407 562 F HN 0.360 nan 8.300 nan 0.000 0.538 563 P HA 0.011 nan 4.420 nan 0.000 0.264 563 P C -0.434 176.347 177.300 -0.866 0.000 1.236 563 P CA 0.160 62.927 63.100 -0.555 0.000 0.811 563 P CB 0.425 31.937 31.700 -0.313 0.000 0.840 564 N N 2.631 120.927 118.700 -0.673 0.000 2.526 564 N HA 0.021 4.761 4.740 0.000 0.000 0.302 564 N C -0.484 174.830 175.510 -0.326 0.000 1.232 564 N CA 0.462 53.188 53.050 -0.539 0.000 1.127 564 N CB -0.463 37.890 38.487 -0.224 0.000 1.476 564 N HN 0.208 nan 8.380 nan 0.000 0.498 565 S N 1.787 117.274 115.700 -0.354 0.000 2.538 565 S HA 0.484 4.954 4.470 0.000 0.000 0.288 565 S C -1.973 172.580 174.600 -0.078 0.000 1.108 565 S CA -1.498 56.602 58.200 -0.166 0.000 0.971 565 S CB 1.324 64.436 63.200 -0.146 0.000 1.041 565 S HN 0.340 nan 8.310 nan 0.000 0.483 566 P HA 0.021 nan 4.420 nan 0.000 0.236 566 P C 0.326 177.636 177.300 0.017 0.000 1.172 566 P CA 0.694 63.799 63.100 0.009 0.000 0.759 566 P CB 0.244 31.946 31.700 0.003 0.000 0.843 567 E N -0.328 119.874 120.200 0.004 0.000 2.121 567 E HA 0.004 4.354 4.350 0.000 0.000 0.194 567 E C 0.810 177.432 176.600 0.036 0.000 0.940 567 E CA -0.398 56.010 56.400 0.013 0.000 0.884 567 E CB -0.488 29.211 29.700 -0.001 0.000 0.874 567 E HN 0.067 nan 8.360 nan 0.000 0.471 568 N N 2.626 121.343 118.700 0.028 0.000 2.132 568 N HA -0.146 4.594 4.740 0.000 0.000 0.280 568 N C -0.070 175.530 175.510 0.151 0.000 1.318 568 N CA 0.667 53.763 53.050 0.077 0.000 0.822 568 N CB 0.412 38.930 38.487 0.051 0.000 1.058 568 N HN 0.188 nan 8.380 nan 0.000 0.489 569 K N 1.205 121.669 120.400 0.105 0.000 2.593 569 K HA 0.244 4.564 4.320 0.000 0.000 0.208 569 K C -0.701 175.934 176.600 0.058 0.000 1.051 569 K CA -0.507 55.828 56.287 0.080 0.000 1.111 569 K CB 0.182 32.708 32.500 0.043 0.000 0.849 569 K HN 0.240 nan 8.250 nan 0.000 0.479 570 N N 2.270 121.028 118.700 0.096 0.000 2.448 570 N HA 0.150 4.890 4.740 0.000 0.000 0.279 570 N C -2.287 173.235 175.510 0.020 0.000 1.025 570 N CA -1.507 51.570 53.050 0.045 0.000 0.898 570 N CB 2.099 40.620 38.487 0.057 0.000 1.303 570 N HN -0.023 nan 8.380 nan 0.000 0.495 571 P HA 0.016 nan 4.420 nan 0.000 0.218 571 P C -0.011 177.183 177.300 -0.177 0.000 1.152 571 P CA 0.580 63.440 63.100 -0.401 0.000 0.826 571 P CB 0.363 31.819 31.700 -0.406 0.000 0.790 572 c N 2.206 120.747 118.600 -0.098 0.000 2.273 572 c HA 0.521 5.091 4.570 0.000 0.000 0.328 572 c C 0.053 174.181 174.090 0.063 0.000 1.275 572 c CA -0.688 55.626 56.329 -0.024 0.000 1.704 572 c CB -0.480 41.961 42.510 -0.116 0.000 2.326 572 c HN 0.230 nan 8.230 nan 0.000 0.517 573 N N 2.687 121.413 118.700 0.045 0.000 2.397 573 N HA 0.550 5.290 4.740 0.000 0.000 0.291 573 N C -0.954 174.541 175.510 -0.024 0.000 1.065 573 N CA -0.373 52.674 53.050 -0.005 0.000 0.884 573 N CB 2.145 40.591 38.487 -0.067 0.000 1.551 573 N HN 0.674 nan 8.380 nan 0.000 0.487 574 I N -1.361 119.189 120.570 -0.034 0.000 2.947 574 I HA 0.551 4.721 4.170 0.000 0.000 0.314 574 I C -0.742 175.521 176.117 0.244 0.000 1.028 574 I CA -0.832 60.448 61.300 -0.033 0.000 1.077 574 I CB 0.889 38.693 38.000 -0.327 0.000 1.274 574 I HN 0.405 nan 8.210 nan 0.000 0.485 575 Y N 3.585 123.944 120.300 0.098 0.000 2.575 575 Y HA 0.510 5.060 4.550 0.000 0.000 0.326 575 Y C -1.459 174.448 175.900 0.013 0.000 0.979 575 Y CA -0.861 57.234 58.100 -0.008 0.000 1.286 575 Y CB 0.420 38.757 38.460 -0.205 0.000 1.093 575 Y HN 0.636 nan 8.280 nan 0.000 0.501 576 Y N 3.379 123.619 120.300 -0.100 0.000 2.488 576 Y HA 0.663 5.213 4.550 0.000 0.000 0.325 576 Y C -0.651 175.205 175.900 -0.072 0.000 1.204 576 Y CA -0.681 57.411 58.100 -0.014 0.000 1.229 576 Y CB 1.724 40.186 38.460 0.004 0.000 1.274 576 Y HN 0.443 nan 8.280 nan 0.000 0.493 577 S N 5.042 120.159 115.700 -0.972 0.000 2.720 577 S HA 0.365 4.835 4.470 0.000 0.000 0.278 577 S C -2.437 171.676 174.600 -0.812 0.000 1.172 577 S CA -1.394 56.442 58.200 -0.607 0.000 1.019 577 S CB 1.420 64.460 63.200 -0.268 0.000 1.049 577 S HN 0.540 nan 8.310 nan 0.000 0.483 578 P HA -0.062 nan 4.420 nan 0.000 0.218 578 P C 0.755 178.025 177.300 -0.050 0.000 1.148 578 P CA 1.275 64.377 63.100 0.003 0.000 0.822 578 P CB 0.027 31.797 31.700 0.117 0.000 0.784 579 N N -1.464 117.178 118.700 -0.097 0.000 2.171 579 N HA -0.076 4.664 4.740 0.000 0.000 0.184 579 N C 0.367 175.830 175.510 -0.079 0.000 1.021 579 N CA 0.612 53.622 53.050 -0.068 0.000 0.854 579 N CB -0.107 38.341 38.487 -0.065 0.000 0.994 579 N HN 0.065 nan 8.380 nan 0.000 0.426 580 D N 0.020 120.343 120.400 -0.127 0.000 2.473 580 D HA 0.131 4.771 4.640 0.000 0.000 0.253 580 D C -0.303 175.909 176.300 -0.147 0.000 1.233 580 D CA -0.250 53.691 54.000 -0.099 0.000 0.908 580 D CB 1.089 41.846 40.800 -0.071 0.000 1.170 580 D HN -0.007 nan 8.370 nan 0.000 0.558 581 E N 1.638 121.794 120.200 -0.072 0.000 2.478 581 E HA -0.077 4.273 4.350 0.000 0.000 0.198 581 E C 0.471 177.133 176.600 0.104 0.000 1.046 581 E CA 0.444 56.857 56.400 0.023 0.000 0.870 581 E CB 0.553 30.388 29.700 0.225 0.000 0.818 581 E HN 0.507 nan 8.360 nan 0.000 0.527 582 D N 1.022 121.452 120.400 0.049 0.000 2.213 582 D HA -0.073 4.567 4.640 0.000 0.000 0.205 582 D C 0.878 177.180 176.300 0.003 0.000 0.961 582 D CA 0.583 54.613 54.000 0.051 0.000 0.853 582 D CB 0.128 40.948 40.800 0.033 0.000 0.967 582 D HN -0.071 nan 8.370 nan 0.000 0.496 583 K N 0.398 120.783 120.400 -0.025 0.000 2.484 583 K HA 0.155 4.475 4.320 0.000 0.000 0.280 583 K C 0.869 177.468 176.600 -0.000 0.000 1.013 583 K CA 1.006 57.270 56.287 -0.037 0.000 1.029 583 K CB 0.318 32.806 32.500 -0.021 0.000 0.902 583 K HN 0.171 nan 8.250 nan 0.000 0.481 584 G N 3.173 111.935 108.800 -0.064 0.000 2.194 584 G HA2 -0.197 3.763 3.960 0.000 0.000 0.236 584 G HA3 -0.197 3.763 3.960 0.000 0.000 0.236 584 G C -0.098 174.785 174.900 -0.028 0.000 0.987 584 G CA 0.112 45.201 45.100 -0.018 0.000 0.635 584 G HN 0.464 nan 8.290 nan 0.000 0.520 585 M N 1.074 120.651 119.600 -0.038 0.000 2.288 585 M HA 0.451 4.931 4.480 0.000 0.000 0.334 585 M C 1.043 177.331 176.300 -0.021 0.000 1.150 585 M CA -0.732 54.544 55.300 -0.039 0.000 1.118 585 M CB 1.236 33.818 32.600 -0.030 0.000 1.501 585 M HN -0.039 nan 8.290 nan 0.000 0.462 586 V N 4.135 124.054 119.914 0.009 0.000 2.475 586 V HA -0.046 4.074 4.120 0.000 0.000 0.292 586 V C 0.837 176.912 176.094 -0.031 0.000 1.003 586 V CA -0.111 62.200 62.300 0.017 0.000 1.120 586 V CB -0.853 31.005 31.823 0.058 0.000 0.937 586 V HN 0.620 nan 8.190 nan 0.000 0.476 587 L N 8.504 129.697 121.223 -0.049 0.000 2.529 587 L HA 0.147 4.487 4.340 0.000 0.000 0.287 587 L C -1.611 175.168 176.870 -0.153 0.000 1.241 587 L CA -1.124 53.669 54.840 -0.078 0.000 0.857 587 L CB 0.140 42.160 42.059 -0.066 0.000 1.113 587 L HN 0.460 nan 8.230 nan 0.000 0.504 588 P HA 0.050 nan 4.420 nan 0.000 0.271 588 P C 0.596 177.409 177.300 -0.811 0.000 1.216 588 P CA 0.463 63.329 63.100 -0.389 0.000 0.771 588 P CB 1.195 32.734 31.700 -0.269 0.000 0.864 589 G N 1.806 110.156 108.800 -0.750 0.000 2.175 589 G HA2 -0.187 3.773 3.960 0.000 0.000 0.244 589 G HA3 -0.187 3.773 3.960 0.000 0.000 0.244 589 G C 0.182 174.899 174.900 -0.306 0.000 0.982 589 G CA -0.039 44.616 45.100 -0.743 0.000 0.641 589 G HN 0.626 nan 8.290 nan 0.000 0.527 590 T N 1.485 115.893 114.554 -0.242 0.000 2.779 590 T HA 0.364 4.714 4.350 0.000 0.000 0.296 590 T C 0.631 175.281 174.700 -0.083 0.000 0.938 590 T CA 0.173 62.200 62.100 -0.123 0.000 1.119 590 T CB 1.263 70.074 68.868 -0.095 0.000 0.891 590 T HN 0.468 nan 8.240 nan 0.000 0.526 591 K N 2.758 123.125 120.400 -0.055 0.000 2.405 591 K HA -0.034 4.286 4.320 0.000 0.000 0.276 591 K C 0.978 177.547 176.600 -0.052 0.000 1.099 591 K CA -0.198 56.075 56.287 -0.023 0.000 1.120 591 K CB -0.309 32.072 32.500 -0.199 0.000 0.877 591 K HN 0.867 nan 8.250 nan 0.000 0.472 592 c N 2.566 121.147 118.600 -0.031 0.000 2.906 592 c HA 0.686 5.256 4.570 0.000 0.000 0.274 592 c C 0.610 174.661 174.090 -0.064 0.000 1.257 592 c CA -0.159 56.125 56.329 -0.075 0.000 1.695 592 c CB -1.315 41.150 42.510 -0.074 0.000 1.958 592 c HN 0.779 nan 8.230 nan 0.000 0.619 593 A N 0.172 122.988 122.820 -0.008 0.000 2.375 593 A HA 0.483 4.803 4.320 0.000 0.000 0.299 593 A C -1.960 175.674 177.584 0.083 0.000 1.044 593 A CA -0.309 51.731 52.037 0.004 0.000 0.585 593 A CB -0.582 18.413 19.000 -0.008 0.000 1.438 593 A HN 0.105 nan 8.150 nan 0.000 0.574 594 D N 0.622 121.065 120.400 0.071 0.000 2.358 594 D HA 0.470 5.110 4.640 0.000 0.000 0.258 594 D C 0.701 177.085 176.300 0.141 0.000 1.223 594 D CA 0.712 54.786 54.000 0.124 0.000 0.886 594 D CB -0.164 40.676 40.800 0.066 0.000 1.120 594 D HN 0.581 nan 8.370 nan 0.000 0.482 595 R N 1.339 121.994 120.500 0.259 0.000 3.878 595 R HA -0.191 4.149 4.340 0.000 0.000 0.330 595 R C -0.266 175.963 176.300 -0.118 0.000 1.186 595 R CA 0.836 56.895 56.100 -0.069 0.000 0.885 595 R CB -1.500 28.771 30.300 -0.048 0.000 1.377 595 R HN 0.460 nan 8.270 nan 0.000 0.523 596 K N -0.333 120.111 120.400 0.072 0.000 2.477 596 K HA 0.849 5.169 4.320 0.000 0.000 0.255 596 K C -0.975 175.677 176.600 0.085 0.000 0.952 596 K CA -0.289 56.009 56.287 0.019 0.000 0.826 596 K CB 2.537 35.041 32.500 0.006 0.000 1.331 596 K HN 0.125 nan 8.250 nan 0.000 0.437 597 A N 0.775 123.564 122.820 -0.051 0.000 2.587 597 A HA 0.524 4.844 4.320 0.000 0.000 0.293 597 A C -1.130 176.328 177.584 -0.209 0.000 1.087 597 A CA -0.720 51.252 52.037 -0.109 0.000 0.692 597 A CB 0.978 19.876 19.000 -0.170 0.000 1.291 597 A HN 0.798 nan 8.150 nan 0.000 0.407 598 c N 1.175 119.654 118.600 -0.203 0.000 2.566 598 c HA 0.497 5.067 4.570 0.000 0.000 0.393 598 c C 1.900 175.836 174.090 -0.256 0.000 1.309 598 c CA 0.441 56.662 56.329 -0.181 0.000 1.801 598 c CB -0.042 42.392 42.510 -0.127 0.000 2.493 598 c HN 0.982 nan 8.230 nan 0.000 0.575 599 S N 2.021 117.606 115.700 -0.193 0.000 2.431 599 S HA 0.114 4.584 4.470 0.000 0.000 0.210 599 S C 0.803 175.356 174.600 -0.078 0.000 1.013 599 S CA 0.756 58.858 58.200 -0.165 0.000 0.920 599 S CB 0.056 63.191 63.200 -0.109 0.000 0.882 599 S HN 0.850 nan 8.310 nan 0.000 0.567 600 N N 0.498 119.174 118.700 -0.040 0.000 2.672 600 N HA 0.306 5.046 4.740 0.000 0.000 0.295 600 N C 0.083 175.599 175.510 0.009 0.000 1.924 600 N CA 0.564 53.611 53.050 -0.005 0.000 0.851 600 N CB 0.878 39.372 38.487 0.011 0.000 1.281 600 N HN 0.580 nan 8.380 nan 0.000 0.494 601 G N 1.001 109.803 108.800 0.004 0.000 2.143 601 G HA2 -0.262 3.698 3.960 0.000 0.000 0.249 601 G HA3 -0.262 3.698 3.960 0.000 0.000 0.249 601 G C -0.123 174.789 174.900 0.021 0.000 0.981 601 G CA -0.003 45.115 45.100 0.031 0.000 0.665 601 G HN 0.439 nan 8.290 nan 0.000 0.528 602 Q N -1.183 118.613 119.800 -0.007 0.000 2.372 602 Q HA 0.506 4.846 4.340 0.000 0.000 0.273 602 Q C -0.508 175.469 176.000 -0.039 0.000 1.078 602 Q CA -0.711 55.085 55.803 -0.011 0.000 0.806 602 Q CB 2.550 31.284 28.738 -0.007 0.000 1.332 602 Q HN 0.363 nan 8.270 nan 0.000 0.435 603 c N 3.878 122.458 118.600 -0.034 0.000 2.252 603 c HA 0.478 5.048 4.570 0.000 0.000 0.342 603 c C 0.352 174.414 174.090 -0.047 0.000 1.110 603 c CA -0.336 55.963 56.329 -0.049 0.000 1.581 603 c CB -1.595 40.892 42.510 -0.039 0.000 2.087 603 c HN 0.563 nan 8.230 nan 0.000 0.500 604 V N 3.494 123.366 119.914 -0.070 0.000 3.093 604 V HA 0.653 4.773 4.120 0.000 0.000 0.320 604 V C -0.112 175.948 176.094 -0.057 0.000 1.093 604 V CA -0.663 61.605 62.300 -0.053 0.000 1.016 604 V CB 1.163 32.957 31.823 -0.047 0.000 1.096 604 V HN 0.637 nan 8.190 nan 0.000 0.452 605 D N 0.629 121.014 120.400 -0.026 0.000 2.399 605 D HA 0.331 4.971 4.640 0.000 0.000 0.241 605 D C 0.974 177.282 176.300 0.014 0.000 1.133 605 D CA 0.452 54.437 54.000 -0.026 0.000 0.890 605 D CB 1.478 42.270 40.800 -0.014 0.000 1.201 605 D HN 0.738 nan 8.370 nan 0.000 0.432 606 V N -0.581 119.313 119.914 -0.034 0.000 3.577 606 V HA 0.051 4.171 4.120 0.000 0.000 0.294 606 V C 1.245 177.369 176.094 0.049 0.000 1.317 606 V CA 0.581 62.959 62.300 0.131 0.000 1.169 606 V CB -0.830 30.862 31.823 -0.219 0.000 1.011 606 V HN 0.652 nan 8.190 nan 0.000 0.426 607 T N -3.287 111.270 114.554 0.006 0.000 3.122 607 T HA 0.209 4.559 4.350 0.000 0.000 0.250 607 T C 0.613 175.314 174.700 0.001 0.000 1.067 607 T CA 0.290 62.378 62.100 -0.021 0.000 0.966 607 T CB -0.273 68.578 68.868 -0.029 0.000 1.002 607 T HN 0.469 nan 8.240 nan 0.000 0.542 608 T N 3.861 118.447 114.554 0.054 0.000 2.812 608 T HA 0.487 4.837 4.350 0.000 0.000 0.282 608 T C -2.915 171.814 174.700 0.047 0.000 0.990 608 T CA -1.369 60.764 62.100 0.055 0.000 0.960 608 T CB 1.606 70.524 68.868 0.083 0.000 0.948 608 T HN -0.067 nan 8.240 nan 0.000 0.438 609 P HA 0.088 nan 4.420 nan 0.000 0.255 609 P C -1.091 176.219 177.300 0.016 0.000 1.173 609 P CA 0.294 63.343 63.100 -0.085 0.000 0.780 609 P CB -0.217 31.456 31.700 -0.045 0.000 0.758 610 Y N 0.000 120.333 120.300 0.054 0.000 2.660 610 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 610 Y CA 0.000 58.155 58.100 0.091 0.000 1.940 610 Y CB 0.000 38.519 38.460 0.099 0.000 1.050 610 Y HN 0.000 nan 8.280 nan 0.000 0.758