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 2vsk_1_C DATA FIRST_RESID 188 DATA SEQUENCE IcLQKTTSTI LKPRLISXXX XXXXXEGVcI TDPLLAVDNG FFAYSHLEKI DATA SEQUENCE GScTRGIAKQ RIIGVGEVLD RGDKVPSMFM TNVWTPPNPS TIHHcSSTYH DATA SEQUENCE EDFYYTLcAV SHVGDPILNS TSWTESLSLI RLAVRPXXXX XDYNQKYIAI DATA SEQUENCE TKVERGKYDK VMPYGPSGIK QGDTLYFPAV GFLPRTEFQY NDSNcPIIHc DATA SEQUENCE KYSKAENcRL SMGVNSKSHY ILRSGLLKYN LSLXXXIILQ FIEIADNRLT DATA SEQUENCE IGSPSKIYNS LGQPVFYQAS YSWDTMIKLG DVDTVDPLRV QWRNNSVISR DATA SEQUENCE PGQSQcPRFN VcPEVcWEGT YNDAFLIDRL NWVSAGVYLN SNQTAENPVF DATA SEQUENCE AVFKDNEILY QVPLAEDDTN AQKTITDcFL LENVIWcISL VEIYDTGDSV DATA SEQUENCE IRPKLFAVKI PAQcS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 188 I HA 0.000 nan 4.170 nan 0.000 0.288 188 I C 0.000 176.116 176.117 -0.001 0.000 1.063 188 I CA 0.000 61.290 61.300 -0.016 0.000 1.566 188 I CB 0.000 37.996 38.000 -0.007 0.000 1.214 189 c N 7.139 125.726 118.600 -0.021 0.000 2.437 189 c HA 0.255 4.825 4.570 -0.000 0.000 0.399 189 c C 1.383 175.521 174.090 0.081 0.000 1.478 189 c CA 0.454 56.744 56.329 -0.065 0.000 1.538 189 c CB -1.131 41.142 42.510 -0.395 0.000 2.506 189 c HN 0.777 nan 8.230 nan 0.000 0.603 190 L N 3.660 124.912 121.223 0.049 0.000 2.966 190 L HA 0.292 4.632 4.340 -0.000 0.000 0.262 190 L C 0.448 177.373 176.870 0.091 0.000 1.165 190 L CA 0.138 55.032 54.840 0.090 0.000 0.978 190 L CB -0.218 41.872 42.059 0.052 0.000 1.337 190 L HN 0.654 nan 8.230 nan 0.000 0.563 191 Q N 1.171 121.006 119.800 0.058 0.000 2.274 191 Q HA 0.292 4.632 4.340 -0.000 0.000 0.260 191 Q C -0.271 175.780 176.000 0.085 0.000 0.974 191 Q CA -0.477 55.354 55.803 0.046 0.000 0.876 191 Q CB 1.604 30.340 28.738 -0.003 0.000 1.297 191 Q HN -0.089 nan 8.270 nan 0.000 0.446 192 K N 1.388 121.847 120.400 0.098 0.000 2.524 192 K HA 0.189 4.509 4.320 -0.000 0.000 0.279 192 K C -1.031 175.612 176.600 0.072 0.000 0.993 192 K CA 0.709 57.068 56.287 0.119 0.000 1.030 192 K CB 0.291 32.841 32.500 0.083 0.000 0.891 192 K HN 0.630 nan 8.250 nan 0.000 0.488 193 T N 1.776 116.386 114.554 0.093 0.000 3.486 193 T HA 0.073 4.423 4.350 -0.000 0.000 0.375 193 T C 0.216 174.951 174.700 0.059 0.000 1.459 193 T CA -0.312 61.805 62.100 0.027 0.000 1.151 193 T CB 0.805 69.633 68.868 -0.067 0.000 1.336 193 T HN 0.732 nan 8.240 nan 0.000 0.477 194 T N 0.720 115.299 114.554 0.043 0.000 3.107 194 T HA 0.272 4.622 4.350 -0.000 0.000 0.249 194 T C 0.918 175.638 174.700 0.033 0.000 1.096 194 T CA 0.048 62.181 62.100 0.055 0.000 1.012 194 T CB -0.192 68.704 68.868 0.046 0.000 0.977 194 T HN 0.620 nan 8.240 nan 0.000 0.527 195 S N 3.067 118.768 115.700 0.002 0.000 2.574 195 S HA 0.053 4.523 4.470 -0.000 0.000 0.302 195 S C 1.057 175.660 174.600 0.004 0.000 1.270 195 S CA 0.547 58.737 58.200 -0.016 0.000 1.040 195 S CB 0.205 63.370 63.200 -0.058 0.000 0.767 195 S HN 0.746 nan 8.310 nan 0.000 0.494 196 T N -0.772 113.783 114.554 0.002 0.000 3.419 196 T HA 0.293 4.643 4.350 -0.000 0.000 0.228 196 T C 1.172 175.872 174.700 0.001 0.000 0.939 196 T CA -0.464 61.647 62.100 0.017 0.000 0.992 196 T CB -1.246 67.629 68.868 0.013 0.000 1.186 196 T HN 0.607 nan 8.240 nan 0.000 0.612 197 I N -1.319 119.242 120.570 -0.016 0.000 2.439 197 I HA 0.237 4.407 4.170 -0.000 0.000 0.251 197 I C 0.683 176.788 176.117 -0.021 0.000 1.139 197 I CA 0.315 61.583 61.300 -0.052 0.000 1.438 197 I CB -0.329 37.582 38.000 -0.147 0.000 1.085 197 I HN 0.269 nan 8.210 nan 0.000 0.427 198 L N 3.157 124.408 121.223 0.047 0.000 2.313 198 L HA 0.275 4.615 4.340 -0.000 0.000 0.282 198 L C -0.021 176.834 176.870 -0.026 0.000 1.092 198 L CA 0.179 55.034 54.840 0.025 0.000 0.831 198 L CB 0.587 42.717 42.059 0.119 0.000 1.159 198 L HN 0.221 nan 8.230 nan 0.000 0.442 199 K N 4.290 124.644 120.400 -0.077 0.000 2.842 199 K HA 0.339 4.659 4.320 -0.000 0.000 0.176 199 K C -2.493 174.081 176.600 -0.042 0.000 1.080 199 K CA -1.642 54.617 56.287 -0.047 0.000 0.954 199 K CB 0.835 33.313 32.500 -0.037 0.000 1.203 199 K HN 0.273 nan 8.250 nan 0.000 0.611 200 P HA 0.068 nan 4.420 nan 0.000 0.266 200 P C -0.661 176.695 177.300 0.094 0.000 1.195 200 P CA -0.067 63.020 63.100 -0.020 0.000 0.768 200 P CB 0.596 32.248 31.700 -0.080 0.000 0.838 201 R N 1.998 122.598 120.500 0.167 0.000 2.476 201 R HA 0.359 4.699 4.340 -0.000 0.000 0.305 201 R C -0.872 175.522 176.300 0.158 0.000 0.965 201 R CA -1.144 55.049 56.100 0.155 0.000 0.867 201 R CB 0.998 31.386 30.300 0.147 0.000 1.176 201 R HN 0.340 nan 8.270 nan 0.000 0.447 202 L N 5.244 126.541 121.223 0.123 0.000 2.530 202 L HA 0.073 4.413 4.340 -0.000 0.000 0.273 202 L C -0.059 176.728 176.870 -0.138 0.000 1.141 202 L CA 0.712 55.516 54.840 -0.059 0.000 0.905 202 L CB 0.317 42.369 42.059 -0.011 0.000 1.202 202 L HN 0.643 nan 8.230 nan 0.000 0.473 203 I N 4.992 125.428 120.570 -0.224 0.000 3.531 203 I HA 0.182 4.352 4.170 -0.000 0.000 0.341 203 I C 0.486 176.461 176.117 -0.237 0.000 1.550 203 I CA 0.517 61.702 61.300 -0.191 0.000 1.087 203 I CB -1.443 36.461 38.000 -0.159 0.000 1.408 203 I HN 0.946 nan 8.210 nan 0.000 0.484 214 G N 2.383 111.161 108.800 -0.037 0.000 4.873 214 G HA2 0.532 4.492 3.960 -0.000 0.000 0.314 214 G HA3 0.532 4.492 3.960 -0.000 0.000 0.314 214 G C -0.809 174.058 174.900 -0.055 0.000 1.426 214 G CA 0.030 45.104 45.100 -0.043 0.000 1.136 214 G HN 0.048 nan 8.290 nan 0.000 0.589 215 V N -0.114 119.759 119.914 -0.068 0.000 2.914 215 V HA 0.610 4.730 4.120 -0.000 0.000 0.314 215 V C -0.604 175.427 176.094 -0.106 0.000 1.084 215 V CA -0.902 61.351 62.300 -0.079 0.000 0.963 215 V CB 2.404 34.183 31.823 -0.074 0.000 1.025 215 V HN 0.351 nan 8.190 nan 0.000 0.432 216 c N 6.102 124.634 118.600 -0.113 0.000 2.346 216 c HA 0.596 5.166 4.570 -0.000 0.000 0.326 216 c C -0.548 173.461 174.090 -0.136 0.000 1.224 216 c CA -0.723 55.525 56.329 -0.134 0.000 1.408 216 c CB -0.303 42.125 42.510 -0.136 0.000 2.089 216 c HN 0.682 nan 8.230 nan 0.000 0.456 217 I N 6.015 126.491 120.570 -0.157 0.000 2.352 217 I HA 0.410 4.580 4.170 -0.000 0.000 0.290 217 I C 0.740 176.791 176.117 -0.109 0.000 1.036 217 I CA 0.818 61.994 61.300 -0.208 0.000 1.336 217 I CB 0.823 38.660 38.000 -0.272 0.000 1.407 217 I HN 0.841 nan 8.210 nan 0.000 0.497 218 T N 3.871 118.379 114.554 -0.078 0.000 2.671 218 T HA 0.282 4.632 4.350 -0.000 0.000 0.300 218 T C -0.816 173.890 174.700 0.010 0.000 1.238 218 T CA -0.321 61.768 62.100 -0.019 0.000 1.020 218 T CB 1.247 70.104 68.868 -0.019 0.000 1.503 218 T HN 0.662 nan 8.240 nan 0.000 0.497 219 D N 1.315 121.727 120.400 0.021 0.000 2.760 219 D HA -0.076 4.564 4.640 -0.000 0.000 0.244 219 D C -2.768 173.525 176.300 -0.012 0.000 1.123 219 D CA 0.079 54.093 54.000 0.023 0.000 0.719 219 D CB -0.368 40.446 40.800 0.023 0.000 1.045 219 D HN 0.357 nan 8.370 nan 0.000 0.426 220 P HA 0.409 nan 4.420 nan 0.000 0.290 220 P C -0.358 176.846 177.300 -0.161 0.000 1.276 220 P CA -0.671 62.357 63.100 -0.119 0.000 0.808 220 P CB 1.156 32.828 31.700 -0.045 0.000 0.966 221 L N 4.014 125.060 121.223 -0.295 0.000 2.362 221 L HA 0.709 5.049 4.340 -0.000 0.000 0.275 221 L C -1.667 175.072 176.870 -0.219 0.000 0.998 221 L CA -1.075 53.644 54.840 -0.201 0.000 0.820 221 L CB 1.622 43.598 42.059 -0.138 0.000 1.270 221 L HN 0.184 nan 8.230 nan 0.000 0.415 222 L N 5.133 126.320 121.223 -0.060 0.000 2.438 222 L HA 0.899 5.239 4.340 -0.000 0.000 0.270 222 L C -1.123 175.788 176.870 0.069 0.000 0.972 222 L CA -0.182 54.670 54.840 0.021 0.000 0.831 222 L CB 1.724 43.808 42.059 0.042 0.000 1.273 222 L HN 0.710 nan 8.230 nan 0.000 0.405 223 A N 4.029 126.905 122.820 0.093 0.000 2.454 223 A HA 0.921 5.241 4.320 -0.000 0.000 0.302 223 A C -1.645 176.082 177.584 0.239 0.000 1.079 223 A CA -0.578 51.562 52.037 0.173 0.000 0.731 223 A CB 2.142 21.273 19.000 0.219 0.000 1.299 223 A HN 0.538 nan 8.150 nan 0.000 0.413 224 V N 2.007 122.099 119.914 0.296 0.000 2.462 224 V HA 0.358 4.478 4.120 -0.000 0.000 0.288 224 V C -1.542 174.703 176.094 0.252 0.000 1.020 224 V CA -0.363 62.088 62.300 0.252 0.000 0.857 224 V CB 1.581 33.480 31.823 0.128 0.000 1.013 224 V HN 0.935 nan 8.190 nan 0.000 0.431 225 D N 3.562 124.120 120.400 0.264 0.000 2.462 225 D HA 0.434 5.074 4.640 -0.000 0.000 0.245 225 D C 0.648 176.862 176.300 -0.142 0.000 1.122 225 D CA -0.211 53.803 54.000 0.024 0.000 0.864 225 D CB 0.676 41.392 40.800 -0.141 0.000 1.098 225 D HN 0.681 nan 8.370 nan 0.000 0.541 226 N N 1.753 120.398 118.700 -0.091 0.000 2.809 226 N HA -0.301 4.439 4.740 -0.000 0.000 0.244 226 N C 1.023 176.453 175.510 -0.133 0.000 1.018 226 N CA 0.678 53.671 53.050 -0.096 0.000 0.917 226 N CB -0.429 37.971 38.487 -0.145 0.000 1.130 226 N HN 0.596 nan 8.380 nan 0.000 0.591 227 G N -1.711 106.971 108.800 -0.197 0.000 3.655 227 G HA2 0.089 4.049 3.960 -0.000 0.000 0.219 227 G HA3 0.089 4.049 3.960 -0.000 0.000 0.219 227 G C -0.281 174.327 174.900 -0.487 0.000 0.933 227 G CA -0.382 44.488 45.100 -0.383 0.000 0.856 227 G HN 0.165 nan 8.290 nan 0.000 0.523 228 F N 0.758 120.660 119.950 -0.080 0.000 2.575 228 F HA 0.843 5.370 4.527 0.000 0.000 0.330 228 F C -0.154 175.775 175.800 0.215 0.000 1.056 228 F CA -1.374 56.651 58.000 0.042 0.000 0.964 228 F CB 1.896 40.970 39.000 0.123 0.000 1.258 228 F HN 0.131 nan 8.300 nan 0.000 0.484 229 F N 0.650 120.787 119.950 0.312 0.000 2.599 229 F HA 0.933 5.460 4.527 -0.000 0.000 0.311 229 F C -1.266 174.457 175.800 -0.128 0.000 1.076 229 F CA -1.785 56.275 58.000 0.099 0.000 0.937 229 F CB 0.809 39.823 39.000 0.024 0.000 1.282 229 F HN 0.584 nan 8.300 nan 0.000 0.460 230 A N 2.947 125.755 122.820 -0.020 0.000 2.337 230 A HA 0.813 5.133 4.320 -0.000 0.000 0.331 230 A C -2.135 175.624 177.584 0.291 0.000 1.137 230 A CA -0.789 51.090 52.037 -0.262 0.000 0.807 230 A CB 1.056 19.496 19.000 -0.933 0.000 1.250 230 A HN 1.232 nan 8.150 nan 0.000 0.468 231 Y N 0.489 120.852 120.300 0.106 0.000 2.521 231 Y HA 0.546 5.096 4.550 -0.000 0.000 0.328 231 Y C -0.605 175.314 175.900 0.031 0.000 1.151 231 Y CA -0.068 58.083 58.100 0.084 0.000 1.054 231 Y CB 1.540 40.073 38.460 0.122 0.000 1.338 231 Y HN 1.028 nan 8.280 nan 0.000 0.453 232 S N 4.203 119.597 115.700 -0.510 0.000 2.579 232 S HA 0.702 5.172 4.470 -0.000 0.000 0.272 232 S C -1.881 172.388 174.600 -0.553 0.000 1.141 232 S CA -0.299 57.690 58.200 -0.352 0.000 0.843 232 S CB 1.335 64.480 63.200 -0.091 0.000 1.122 232 S HN 1.044 nan 8.310 nan 0.000 0.468 233 H N 0.640 119.623 119.070 -0.144 0.000 2.960 233 H HA 0.764 5.320 4.556 -0.000 0.000 0.323 233 H C -2.084 173.236 175.328 -0.015 0.000 1.326 233 H CA -1.051 54.942 56.048 -0.093 0.000 1.124 233 H CB 1.046 30.811 29.762 0.005 0.000 1.853 233 H HN 0.519 nan 8.280 nan 0.000 0.536 234 L N 1.422 122.778 121.223 0.221 0.000 2.381 234 L HA 0.316 4.656 4.340 -0.000 0.000 0.274 234 L C -0.411 176.436 176.870 -0.038 0.000 0.988 234 L CA -0.296 54.611 54.840 0.111 0.000 0.824 234 L CB 1.874 43.947 42.059 0.023 0.000 1.263 234 L HN 0.792 nan 8.230 nan 0.000 0.410 235 E N 4.103 124.280 120.200 -0.038 0.000 2.229 235 E HA 0.317 4.667 4.350 -0.000 0.000 0.283 235 E C -1.032 175.526 176.600 -0.069 0.000 1.030 235 E CA -0.326 56.003 56.400 -0.117 0.000 0.836 235 E CB 0.740 30.395 29.700 -0.075 0.000 1.068 235 E HN 0.451 nan 8.360 nan 0.000 0.401 236 K N 4.008 124.360 120.400 -0.080 0.000 2.270 236 K HA 0.390 4.710 4.320 -0.000 0.000 0.255 236 K C -0.549 176.016 176.600 -0.058 0.000 0.936 236 K CA -0.745 55.507 56.287 -0.057 0.000 0.809 236 K CB 1.471 33.939 32.500 -0.053 0.000 1.131 236 K HN 0.525 nan 8.250 nan 0.000 0.427 237 I N 3.700 124.244 120.570 -0.044 0.000 2.372 237 I HA 0.104 4.274 4.170 -0.000 0.000 0.298 237 I C 0.971 177.064 176.117 -0.040 0.000 1.137 237 I CA 0.571 61.846 61.300 -0.041 0.000 1.314 237 I CB -0.386 37.595 38.000 -0.031 0.000 1.444 237 I HN 0.969 nan 8.210 nan 0.000 0.541 238 G N 4.229 113.000 108.800 -0.049 0.000 2.475 238 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.223 238 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.223 238 G C -0.104 174.761 174.900 -0.059 0.000 1.201 238 G CA -0.496 44.575 45.100 -0.049 0.000 0.962 238 G HN 0.511 nan 8.290 nan 0.000 0.586 239 S N -0.156 115.516 115.700 -0.046 0.000 2.715 239 S HA 0.070 4.540 4.470 -0.000 0.000 0.318 239 S C 1.636 176.206 174.600 -0.050 0.000 1.242 239 S CA 0.349 58.522 58.200 -0.046 0.000 1.044 239 S CB 0.591 63.776 63.200 -0.024 0.000 0.760 239 S HN 1.077 nan 8.310 nan 0.000 0.501 240 c N 2.614 121.176 118.600 -0.063 0.000 2.422 240 c HA -0.064 4.506 4.570 -0.000 0.000 0.286 240 c C 2.796 176.873 174.090 -0.022 0.000 1.412 240 c CA 0.958 57.253 56.329 -0.056 0.000 1.786 240 c CB -1.919 40.550 42.510 -0.069 0.000 1.835 240 c HN 1.076 nan 8.230 nan 0.000 0.533 241 T N -1.564 112.983 114.554 -0.011 0.000 2.988 241 T HA 0.062 4.412 4.350 -0.000 0.000 0.240 241 T C 1.876 176.583 174.700 0.011 0.000 1.014 241 T CA 0.592 62.696 62.100 0.008 0.000 1.155 241 T CB -0.093 68.782 68.868 0.012 0.000 0.872 241 T HN 0.441 nan 8.240 nan 0.000 0.440 242 R N 0.528 121.030 120.500 0.003 0.000 2.221 242 R HA 0.408 4.748 4.340 -0.000 0.000 0.195 242 R C 1.476 177.775 176.300 -0.002 0.000 0.956 242 R CA 0.310 56.413 56.100 0.006 0.000 1.064 242 R CB -0.116 30.189 30.300 0.007 0.000 1.049 242 R HN 0.501 nan 8.270 nan 0.000 0.534 243 G N 1.685 110.477 108.800 -0.013 0.000 2.341 243 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.231 243 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.231 243 G C -0.066 174.824 174.900 -0.017 0.000 1.206 243 G CA -0.085 45.004 45.100 -0.019 0.000 0.865 243 G HN 0.095 nan 8.290 nan 0.000 0.515 244 I N 1.398 121.958 120.570 -0.017 0.000 2.775 244 I HA 0.141 4.311 4.170 -0.000 0.000 0.290 244 I C 1.303 177.406 176.117 -0.023 0.000 1.203 244 I CA 0.698 61.988 61.300 -0.017 0.000 1.433 244 I CB 0.831 38.821 38.000 -0.017 0.000 1.354 244 I HN 0.611 nan 8.210 nan 0.000 0.579 245 A N 7.773 130.580 122.820 -0.021 0.000 2.395 245 A HA 0.158 4.478 4.320 -0.000 0.000 0.286 245 A C 1.263 178.830 177.584 -0.029 0.000 1.193 245 A CA -0.342 51.678 52.037 -0.027 0.000 0.852 245 A CB 0.085 19.067 19.000 -0.029 0.000 1.118 245 A HN 0.794 nan 8.150 nan 0.000 0.524 246 K N 1.024 121.406 120.400 -0.031 0.000 1.965 246 K HA -0.084 4.236 4.320 -0.000 0.000 0.214 246 K C 0.461 177.045 176.600 -0.027 0.000 1.042 246 K CA 1.747 58.016 56.287 -0.029 0.000 0.950 246 K CB -0.061 32.421 32.500 -0.030 0.000 0.733 246 K HN 0.996 nan 8.250 nan 0.000 0.441 247 Q N 0.169 119.962 119.800 -0.011 0.000 2.364 247 Q HA 0.305 4.645 4.340 -0.000 0.000 0.257 247 Q C -1.288 174.739 176.000 0.044 0.000 0.956 247 Q CA -0.887 54.911 55.803 -0.008 0.000 0.924 247 Q CB 1.433 30.162 28.738 -0.016 0.000 1.413 247 Q HN -0.081 nan 8.270 nan 0.000 0.418 248 R N 3.371 123.874 120.500 0.005 0.000 2.340 248 R HA 0.638 4.978 4.340 -0.000 0.000 0.300 248 R C -0.655 175.653 176.300 0.015 0.000 1.069 248 R CA -0.171 55.951 56.100 0.037 0.000 0.984 248 R CB 0.619 30.916 30.300 -0.005 0.000 1.003 248 R HN 0.806 nan 8.270 nan 0.000 0.459 249 I N 1.433 122.024 120.570 0.034 0.000 2.785 249 I HA 0.617 4.787 4.170 -0.000 0.000 0.302 249 I C -1.170 174.983 176.117 0.059 0.000 1.069 249 I CA -1.203 60.091 61.300 -0.010 0.000 1.045 249 I CB 2.084 40.026 38.000 -0.097 0.000 1.236 249 I HN 0.608 nan 8.210 nan 0.000 0.429 250 I N 4.372 125.050 120.570 0.180 0.000 2.534 250 I HA 0.679 4.849 4.170 -0.000 0.000 0.286 250 I C -0.123 176.137 176.117 0.237 0.000 1.094 250 I CA -0.190 61.252 61.300 0.237 0.000 1.055 250 I CB 1.946 40.164 38.000 0.365 0.000 1.225 250 I HN 0.915 nan 8.210 nan 0.000 0.435 251 G N 4.722 113.650 108.800 0.213 0.000 2.733 251 G HA2 0.854 4.814 3.960 -0.000 0.000 0.288 251 G HA3 0.854 4.814 3.960 -0.000 0.000 0.288 251 G C -1.365 173.592 174.900 0.096 0.000 1.373 251 G CA -0.691 44.501 45.100 0.154 0.000 0.895 251 G HN 0.604 nan 8.290 nan 0.000 0.479 252 V N -2.901 116.972 119.914 -0.070 0.000 3.178 252 V HA 1.059 5.179 4.120 -0.000 0.000 0.302 252 V C 0.072 175.845 176.094 -0.536 0.000 1.262 252 V CA 0.136 62.249 62.300 -0.311 0.000 1.030 252 V CB 1.411 33.151 31.823 -0.138 0.000 1.074 252 V HN 2.269 nan 8.190 nan 0.000 0.438 253 G N 1.226 109.483 108.800 -0.905 0.000 2.325 253 G HA2 0.518 4.478 3.960 -0.000 0.000 0.295 253 G HA3 0.518 4.478 3.960 -0.000 0.000 0.295 253 G C -1.807 172.796 174.900 -0.495 0.000 1.274 253 G CA -0.585 44.137 45.100 -0.629 0.000 0.857 253 G HN 0.919 nan 8.290 nan 0.000 0.499 254 E N -1.007 119.098 120.200 -0.158 0.000 2.212 254 E HA 0.533 4.883 4.350 -0.000 0.000 0.270 254 E C -0.849 175.819 176.600 0.112 0.000 0.956 254 E CA -0.824 55.502 56.400 -0.123 0.000 0.825 254 E CB 2.868 32.420 29.700 -0.246 0.000 1.167 254 E HN 0.172 nan 8.360 nan 0.000 0.400 255 V N 4.181 124.070 119.914 -0.042 0.000 2.288 255 V HA 0.241 4.361 4.120 -0.000 0.000 0.266 255 V C -0.425 175.609 176.094 -0.101 0.000 1.048 255 V CA -0.237 62.039 62.300 -0.039 0.000 0.842 255 V CB -0.260 31.404 31.823 -0.264 0.000 1.064 255 V HN 0.409 nan 8.190 nan 0.000 0.472 256 L N 4.602 125.858 121.223 0.055 0.000 2.333 256 L HA 0.554 4.894 4.340 -0.000 0.000 0.280 256 L C -0.150 176.729 176.870 0.015 0.000 1.004 256 L CA -0.872 53.944 54.840 -0.039 0.000 0.820 256 L CB 2.118 44.040 42.059 -0.227 0.000 1.247 256 L HN 0.645 nan 8.230 nan 0.000 0.416 257 D N 1.111 121.470 120.400 -0.069 0.000 2.341 257 D HA 0.425 5.065 4.640 -0.000 0.000 0.245 257 D C 0.273 176.546 176.300 -0.045 0.000 1.106 257 D CA -0.548 53.408 54.000 -0.074 0.000 0.905 257 D CB 1.591 42.337 40.800 -0.090 0.000 1.202 257 D HN 0.301 nan 8.370 nan 0.000 0.426 258 R N 1.232 121.720 120.500 -0.020 0.000 1.752 258 R HA 0.515 4.855 4.340 -0.000 0.000 0.123 258 R C 1.876 178.164 176.300 -0.020 0.000 1.996 258 R CA 0.186 56.276 56.100 -0.017 0.000 1.800 258 R CB -0.535 29.776 30.300 0.018 0.000 1.356 258 R HN 0.589 nan 8.270 nan 0.000 0.507 259 G N -0.455 108.341 108.800 -0.007 0.000 2.784 259 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.208 259 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.208 259 G C 0.252 175.158 174.900 0.009 0.000 1.120 259 G CA -0.013 45.086 45.100 -0.001 0.000 0.774 259 G HN 0.263 nan 8.290 nan 0.000 0.528 260 D N 1.198 121.603 120.400 0.009 0.000 2.340 260 D HA 0.058 4.697 4.640 -0.000 0.000 0.220 260 D C 0.569 176.891 176.300 0.038 0.000 1.039 260 D CA 0.212 54.226 54.000 0.024 0.000 0.866 260 D CB 0.208 41.020 40.800 0.020 0.000 0.913 260 D HN 0.285 nan 8.370 nan 0.000 0.523 261 K N -0.256 120.149 120.400 0.009 0.000 3.209 261 K HA -0.147 4.173 4.320 -0.000 0.000 0.289 261 K C -0.356 176.197 176.600 -0.078 0.000 1.191 261 K CA 0.121 56.417 56.287 0.015 0.000 0.851 261 K CB -1.754 30.816 32.500 0.117 0.000 1.242 261 K HN 0.070 nan 8.250 nan 0.000 0.480 262 V N 1.655 121.461 119.914 -0.180 0.000 2.481 262 V HA 0.275 4.395 4.120 -0.000 0.000 0.286 262 V C -1.602 174.214 176.094 -0.462 0.000 1.042 262 V CA -1.733 60.271 62.300 -0.494 0.000 0.928 262 V CB 1.575 33.244 31.823 -0.257 0.000 0.986 262 V HN 0.016 nan 8.190 nan 0.000 0.462 263 P HA 0.406 nan 4.420 nan 0.000 0.275 263 P C -0.680 176.509 177.300 -0.184 0.000 1.266 263 P CA -0.250 62.661 63.100 -0.314 0.000 0.793 263 P CB 0.798 32.349 31.700 -0.248 0.000 1.074 264 S N -1.574 114.092 115.700 -0.057 0.000 2.611 264 S HA 0.491 4.961 4.470 -0.000 0.000 0.268 264 S C -0.754 173.783 174.600 -0.105 0.000 1.156 264 S CA -0.670 57.463 58.200 -0.111 0.000 0.817 264 S CB 0.774 63.879 63.200 -0.158 0.000 1.122 264 S HN 0.580 nan 8.310 nan 0.000 0.466 265 M N 0.995 120.397 119.600 -0.330 0.000 2.120 265 M HA 0.698 5.178 4.480 -0.000 0.000 0.354 265 M C -1.667 174.368 176.300 -0.441 0.000 1.287 265 M CA 0.585 55.744 55.300 -0.234 0.000 1.103 265 M CB -0.381 32.021 32.600 -0.329 0.000 1.623 265 M HN 0.408 nan 8.290 nan 0.000 0.471 266 F N 4.632 124.705 119.950 0.206 0.000 2.622 266 F HA 0.417 4.944 4.527 -0.000 0.000 0.338 266 F C -0.273 175.563 175.800 0.060 0.000 1.334 266 F CA -0.766 57.284 58.000 0.083 0.000 1.179 266 F CB 0.811 39.807 39.000 -0.006 0.000 1.471 266 F HN 0.613 nan 8.300 nan 0.000 0.576 267 M N 1.569 121.297 119.600 0.213 0.000 2.274 267 M HA -0.067 4.413 4.480 -0.000 0.000 0.377 267 M C 1.501 177.807 176.300 0.009 0.000 1.428 267 M CA 0.927 56.268 55.300 0.067 0.000 0.907 267 M CB 0.478 33.128 32.600 0.084 0.000 1.974 267 M HN 0.684 nan 8.290 nan 0.000 0.479 268 T N 0.068 114.580 114.554 -0.069 0.000 3.042 268 T HA 0.120 4.470 4.350 -0.000 0.000 0.245 268 T C 0.589 175.271 174.700 -0.030 0.000 1.029 268 T CA -0.011 62.069 62.100 -0.033 0.000 1.120 268 T CB 0.345 69.188 68.868 -0.043 0.000 0.917 268 T HN 0.605 nan 8.240 nan 0.000 0.467 269 N N 0.007 118.683 118.700 -0.041 0.000 2.324 269 N HA 0.513 5.253 4.740 -0.000 0.000 0.285 269 N C -2.165 173.361 175.510 0.027 0.000 1.076 269 N CA -0.508 52.533 53.050 -0.015 0.000 0.864 269 N CB 2.498 40.953 38.487 -0.052 0.000 1.632 269 N HN 0.105 nan 8.380 nan 0.000 0.478 270 V N 2.820 122.778 119.914 0.073 0.000 2.888 270 V HA 0.600 4.720 4.120 -0.000 0.000 0.309 270 V C -1.556 174.657 176.094 0.198 0.000 1.114 270 V CA -0.653 61.714 62.300 0.112 0.000 0.940 270 V CB 2.313 34.169 31.823 0.056 0.000 1.021 270 V HN 0.736 nan 8.190 nan 0.000 0.426 271 W N 3.209 124.516 121.300 0.012 0.000 2.781 271 W HA 0.696 5.356 4.660 -0.000 0.000 0.333 271 W C -0.565 175.969 176.519 0.025 0.000 1.047 271 W CA -0.229 57.130 57.345 0.023 0.000 1.236 271 W CB 2.180 31.666 29.460 0.044 0.000 1.394 271 W HN 0.488 nan 8.180 nan 0.000 0.466 272 T N 8.052 122.116 114.554 -0.816 0.000 2.772 272 T HA 0.351 4.701 4.350 -0.000 0.000 0.288 272 T C -2.419 171.486 174.700 -1.324 0.000 0.994 272 T CA -1.185 60.453 62.100 -0.769 0.000 0.951 272 T CB 1.178 69.814 68.868 -0.388 0.000 0.933 272 T HN 0.103 nan 8.240 nan 0.000 0.447 273 P HA 0.174 nan 4.420 nan 0.000 0.270 273 P C -1.725 175.319 177.300 -0.427 0.000 1.223 273 P CA -1.375 61.210 63.100 -0.859 0.000 0.785 273 P CB 0.344 31.860 31.700 -0.306 0.000 0.923 274 P HA -0.042 nan 4.420 nan 0.000 0.224 274 P C 0.059 177.291 177.300 -0.114 0.000 1.157 274 P CA 1.291 64.287 63.100 -0.174 0.000 0.799 274 P CB 0.356 31.979 31.700 -0.128 0.000 0.809 275 N N 0.259 118.906 118.700 -0.088 0.000 2.442 275 N HA 0.250 4.990 4.740 -0.000 0.000 0.274 275 N C -2.314 173.162 175.510 -0.056 0.000 1.002 275 N CA -2.418 50.598 53.050 -0.057 0.000 0.910 275 N CB 1.516 39.987 38.487 -0.027 0.000 1.244 275 N HN -0.224 nan 8.380 nan 0.000 0.492 276 P HA 0.140 nan 4.420 nan 0.000 0.245 276 P C 0.199 177.453 177.300 -0.077 0.000 1.212 276 P CA 0.446 63.506 63.100 -0.067 0.000 0.774 276 P CB 0.409 32.075 31.700 -0.057 0.000 0.999 277 S N -1.057 114.613 115.700 -0.050 0.000 2.501 277 S HA -0.024 4.446 4.470 -0.000 0.000 0.220 277 S C 1.505 176.093 174.600 -0.019 0.000 0.997 277 S CA 1.272 59.452 58.200 -0.034 0.000 0.919 277 S CB -0.679 62.520 63.200 -0.001 0.000 0.778 277 S HN 0.361 nan 8.310 nan 0.000 0.523 278 T N -0.747 113.806 114.554 -0.001 0.000 3.054 278 T HA 0.442 4.792 4.350 -0.000 0.000 0.255 278 T C 0.416 175.209 174.700 0.155 0.000 1.035 278 T CA -0.193 62.004 62.100 0.162 0.000 0.941 278 T CB -0.007 68.956 68.868 0.158 0.000 1.026 278 T HN 0.155 nan 8.240 nan 0.000 0.533 279 I N 2.095 122.595 120.570 -0.116 0.000 2.437 279 I HA 0.532 4.702 4.170 -0.000 0.000 0.298 279 I C -0.538 175.309 176.117 -0.449 0.000 0.984 279 I CA -0.928 60.347 61.300 -0.042 0.000 1.214 279 I CB 1.321 39.359 38.000 0.064 0.000 1.365 279 I HN 0.251 nan 8.210 nan 0.000 0.469 280 H N 2.815 121.925 119.070 0.068 0.000 3.037 280 H HA 0.368 4.924 4.556 -0.000 0.000 0.355 280 H C -0.681 174.663 175.328 0.026 0.000 1.263 280 H CA -0.711 55.305 56.048 -0.054 0.000 1.129 280 H CB 0.935 30.591 29.762 -0.176 0.000 1.861 280 H HN 0.470 nan 8.280 nan 0.000 0.546 281 H N -1.009 118.190 119.070 0.216 0.000 2.527 281 H HA -0.173 4.383 4.556 0.000 0.000 0.321 281 H C -0.293 175.123 175.328 0.147 0.000 1.092 281 H CA 0.360 56.513 56.048 0.175 0.000 1.118 281 H CB -1.953 27.930 29.762 0.202 0.000 1.536 281 H HN 0.498 nan 8.280 nan 0.000 0.407 282 c N 0.255 118.980 118.600 0.208 0.000 2.657 282 c HA 0.521 5.091 4.570 -0.000 0.000 0.404 282 c C 1.355 175.547 174.090 0.170 0.000 1.291 282 c CA -0.081 56.345 56.329 0.163 0.000 2.218 282 c CB 1.461 44.046 42.510 0.125 0.000 2.687 282 c HN 0.716 nan 8.230 nan 0.000 0.634 283 S N 0.427 116.248 115.700 0.203 0.000 2.533 283 S HA 0.708 5.178 4.470 -0.000 0.000 0.271 283 S C -0.810 174.051 174.600 0.435 0.000 1.143 283 S CA -0.383 57.991 58.200 0.290 0.000 0.891 283 S CB 1.398 64.814 63.200 0.360 0.000 1.105 283 S HN 1.109 nan 8.310 nan 0.000 0.468 284 S N 2.354 118.284 115.700 0.383 0.000 2.557 284 S HA 0.774 5.244 4.470 -0.000 0.000 0.291 284 S C -0.996 173.845 174.600 0.401 0.000 1.116 284 S CA -0.543 57.927 58.200 0.449 0.000 0.992 284 S CB 1.682 65.071 63.200 0.315 0.000 1.028 284 S HN 0.555 nan 8.310 nan 0.000 0.484 285 T N 3.733 118.428 114.554 0.235 0.000 2.809 285 T HA 0.363 4.713 4.350 -0.000 0.000 0.284 285 T C -0.896 173.845 174.700 0.068 0.000 0.992 285 T CA -0.386 61.709 62.100 -0.007 0.000 0.957 285 T CB 0.568 69.067 68.868 -0.614 0.000 0.942 285 T HN 0.680 nan 8.240 nan 0.000 0.439 286 Y N 3.378 123.437 120.300 -0.402 0.000 2.379 286 Y HA 0.437 4.987 4.550 0.000 0.000 0.337 286 Y C -0.046 175.831 175.900 -0.038 0.000 1.238 286 Y CA 0.170 57.840 58.100 -0.717 0.000 1.405 286 Y CB 0.547 38.372 38.460 -1.059 0.000 1.310 286 Y HN 0.762 nan 8.280 nan 0.000 0.569 287 H N 3.170 121.730 119.070 -0.851 0.000 3.129 287 H HA 0.181 4.737 4.556 -0.000 0.000 0.342 287 H C -1.203 173.849 175.328 -0.459 0.000 1.092 287 H CA -0.898 54.911 56.048 -0.398 0.000 1.310 287 H CB 0.848 30.700 29.762 0.151 0.000 1.932 287 H HN 0.839 nan 8.280 nan 0.000 0.507 288 E N 3.570 123.397 120.200 -0.623 0.000 2.216 288 E HA -0.271 4.079 4.350 -0.000 0.000 0.162 288 E C -0.653 175.696 176.600 -0.417 0.000 1.642 288 E CA 1.280 57.426 56.400 -0.424 0.000 0.599 288 E CB -0.860 28.534 29.700 -0.511 0.000 1.045 288 E HN 0.861 nan 8.360 nan 0.000 0.308 289 D N -1.646 118.428 120.400 -0.543 0.000 3.012 289 D HA -0.228 4.412 4.640 -0.000 0.000 0.222 289 D C -0.551 175.012 176.300 -1.229 0.000 1.167 289 D CA 1.610 55.173 54.000 -0.728 0.000 0.854 289 D CB -1.217 39.252 40.800 -0.551 0.000 1.107 289 D HN 0.325 nan 8.370 nan 0.000 0.421 290 F N -1.094 118.330 119.950 -0.877 0.000 2.599 290 F HA 0.548 5.075 4.527 -0.000 0.000 0.311 290 F C -0.127 175.119 175.800 -0.923 0.000 1.076 290 F CA -1.232 56.250 58.000 -0.862 0.000 0.937 290 F CB 1.314 39.611 39.000 -1.172 0.000 1.282 290 F HN -0.278 nan 8.300 nan 0.000 0.460 291 Y N 1.057 121.148 120.300 -0.348 0.000 2.342 291 Y HA 0.487 5.037 4.550 -0.000 0.000 0.334 291 Y C -0.988 174.763 175.900 -0.247 0.000 1.067 291 Y CA -0.553 57.458 58.100 -0.148 0.000 1.128 291 Y CB 1.089 39.558 38.460 0.014 0.000 1.200 291 Y HN 0.405 nan 8.280 nan 0.000 0.464 292 Y N 1.386 121.832 120.300 0.243 0.000 2.377 292 Y HA 0.490 5.040 4.550 -0.000 0.000 0.339 292 Y C 0.114 176.194 175.900 0.300 0.000 1.011 292 Y CA -0.834 57.369 58.100 0.171 0.000 1.093 292 Y CB 2.268 40.806 38.460 0.131 0.000 1.201 292 Y HN 0.387 nan 8.280 nan 0.000 0.455 293 T N 4.306 119.036 114.554 0.293 0.000 3.011 293 T HA 0.441 4.791 4.350 -0.000 0.000 0.303 293 T C -1.832 172.897 174.700 0.048 0.000 0.997 293 T CA -0.519 61.737 62.100 0.261 0.000 1.007 293 T CB 0.377 69.347 68.868 0.169 0.000 1.017 293 T HN 0.474 nan 8.240 nan 0.000 0.443 294 L N 5.946 127.156 121.223 -0.021 0.000 2.262 294 L HA 0.580 4.920 4.340 -0.000 0.000 0.288 294 L C -0.232 176.605 176.870 -0.055 0.000 1.035 294 L CA -0.148 54.540 54.840 -0.253 0.000 0.820 294 L CB -0.044 41.573 42.059 -0.736 0.000 1.204 294 L HN 0.791 nan 8.230 nan 0.000 0.424 295 c N 3.076 121.666 118.600 -0.016 0.000 2.335 295 c HA 0.892 5.462 4.570 -0.000 0.000 0.363 295 c C 0.687 174.843 174.090 0.110 0.000 1.198 295 c CA -0.709 55.674 56.329 0.090 0.000 2.279 295 c CB 1.072 43.663 42.510 0.135 0.000 2.334 295 c HN 0.905 nan 8.230 nan 0.000 0.559 296 A N 1.063 124.012 122.820 0.215 0.000 2.311 296 A HA 0.821 5.141 4.320 -0.000 0.000 0.334 296 A C -0.843 176.963 177.584 0.370 0.000 1.139 296 A CA -0.311 51.907 52.037 0.301 0.000 0.830 296 A CB 0.635 19.900 19.000 0.440 0.000 1.234 296 A HN 0.706 nan 8.150 nan 0.000 0.483 297 V N 0.574 120.703 119.914 0.358 0.000 2.581 297 V HA 0.770 4.890 4.120 -0.000 0.000 0.303 297 V C 0.182 176.503 176.094 0.378 0.000 1.041 297 V CA -0.379 62.124 62.300 0.339 0.000 0.907 297 V CB 1.597 33.543 31.823 0.206 0.000 0.994 297 V HN 0.926 nan 8.190 nan 0.000 0.442 298 S N 0.680 116.624 115.700 0.407 0.000 2.572 298 S HA 0.425 4.895 4.470 -0.000 0.000 0.274 298 S C 0.091 174.891 174.600 0.333 0.000 1.150 298 S CA -0.547 57.862 58.200 0.349 0.000 0.944 298 S CB 1.310 64.618 63.200 0.180 0.000 1.071 298 S HN 0.889 nan 8.310 nan 0.000 0.479 299 H N 2.530 121.674 119.070 0.123 0.000 2.551 299 H HA 0.157 4.712 4.556 -0.000 0.000 0.266 299 H C 1.215 176.594 175.328 0.086 0.000 0.964 299 H CA 1.396 57.495 56.048 0.085 0.000 1.180 299 H CB 0.652 30.438 29.762 0.040 0.000 1.408 299 H HN 0.469 nan 8.280 nan 0.000 0.563 300 V N -2.854 117.182 119.914 0.202 0.000 3.159 300 V HA 0.489 4.609 4.120 -0.000 0.000 0.333 300 V C 0.807 176.950 176.094 0.082 0.000 1.424 300 V CA 0.052 62.431 62.300 0.131 0.000 1.125 300 V CB 0.291 32.200 31.823 0.142 0.000 1.075 300 V HN 0.456 nan 8.190 nan 0.000 0.482 301 G N 0.967 109.811 108.800 0.072 0.000 2.725 301 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 301 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 301 G C -0.514 174.272 174.900 -0.189 0.000 1.357 301 G CA -0.022 45.101 45.100 0.038 0.000 0.866 301 G HN 0.665 nan 8.290 nan 0.000 0.548 302 D N 1.117 121.433 120.400 -0.139 0.000 2.479 302 D HA 0.243 4.883 4.640 -0.000 0.000 0.257 302 D C -0.350 175.808 176.300 -0.238 0.000 1.230 302 D CA -0.986 52.872 54.000 -0.237 0.000 0.912 302 D CB 0.877 41.679 40.800 0.003 0.000 1.130 302 D HN 0.050 nan 8.370 nan 0.000 0.515 303 P HA -0.157 nan 4.420 nan 0.000 0.216 303 P C 1.710 178.836 177.300 -0.291 0.000 1.150 303 P CA 0.524 63.260 63.100 -0.607 0.000 0.843 303 P CB 0.202 30.976 31.700 -1.543 0.000 0.787 304 I N -1.468 119.004 120.570 -0.163 0.000 2.399 304 I HA -0.190 3.980 4.170 -0.000 0.000 0.254 304 I C 1.842 177.959 176.117 -0.000 0.000 1.146 304 I CA 1.751 63.006 61.300 -0.075 0.000 1.412 304 I CB -1.121 36.878 38.000 -0.003 0.000 1.076 304 I HN 0.069 nan 8.210 nan 0.000 0.432 305 L N -0.823 120.431 121.223 0.052 0.000 2.766 305 L HA 0.227 4.567 4.340 -0.000 0.000 0.242 305 L C 0.606 177.516 176.870 0.067 0.000 1.136 305 L CA 0.140 55.042 54.840 0.103 0.000 0.933 305 L CB 0.078 42.234 42.059 0.161 0.000 1.241 305 L HN 0.136 nan 8.230 nan 0.000 0.522 306 N N -0.415 118.304 118.700 0.031 0.000 2.636 306 N HA 0.032 4.772 4.740 -0.000 0.000 0.287 306 N C 0.906 176.455 175.510 0.065 0.000 1.817 306 N CA 0.156 53.235 53.050 0.049 0.000 0.842 306 N CB 0.959 39.475 38.487 0.049 0.000 1.353 306 N HN -0.055 nan 8.380 nan 0.000 0.500 307 S N -0.664 115.084 115.700 0.079 0.000 2.355 307 S HA -0.122 4.348 4.470 -0.000 0.000 0.222 307 S C 1.890 176.628 174.600 0.230 0.000 1.031 307 S CA 2.217 60.497 58.200 0.133 0.000 0.993 307 S CB -0.173 63.172 63.200 0.241 0.000 0.859 307 S HN 0.376 nan 8.310 nan 0.000 0.453 308 T N 0.778 115.434 114.554 0.171 0.000 2.803 308 T HA -0.037 4.313 4.350 -0.000 0.000 0.269 308 T C 1.604 176.339 174.700 0.057 0.000 1.052 308 T CA 1.896 64.024 62.100 0.047 0.000 1.136 308 T CB -0.560 68.207 68.868 -0.168 0.000 0.864 308 T HN 0.486 nan 8.240 nan 0.000 0.467 309 S N -0.521 115.232 115.700 0.088 0.000 2.593 309 S HA 0.146 4.616 4.470 -0.000 0.000 0.217 309 S C -0.131 174.550 174.600 0.136 0.000 0.966 309 S CA -0.512 57.738 58.200 0.083 0.000 0.914 309 S CB -0.077 63.168 63.200 0.074 0.000 0.776 309 S HN 0.668 nan 8.310 nan 0.000 0.523 310 W N 3.733 124.999 121.300 -0.058 0.000 2.416 310 W HA 0.366 5.026 4.660 0.000 0.000 0.318 310 W C 0.467 176.919 176.519 -0.112 0.000 1.150 310 W CA -0.849 56.440 57.345 -0.094 0.000 1.392 310 W CB -0.116 29.253 29.460 -0.151 0.000 1.311 310 W HN -0.110 nan 8.180 nan 0.000 0.436 311 T N 4.250 118.577 114.554 -0.379 0.000 2.891 311 T HA -0.149 4.201 4.350 -0.000 0.000 0.296 311 T C 0.562 174.461 174.700 -1.335 0.000 1.025 311 T CA 0.193 61.937 62.100 -0.593 0.000 1.149 311 T CB 0.326 68.924 68.868 -0.449 0.000 1.007 311 T HN 0.571 nan 8.240 nan 0.000 0.528 312 E N 3.724 123.256 120.200 -1.112 0.000 2.261 312 E HA 0.348 4.698 4.350 -0.000 0.000 0.308 312 E C -0.104 175.933 176.600 -0.938 0.000 1.400 312 E CA -0.448 55.035 56.400 -1.528 0.000 1.542 312 E CB -0.062 29.183 29.700 -0.758 0.000 1.369 312 E HN 0.291 nan 8.360 nan 0.000 0.493 313 S N 2.559 117.718 115.700 -0.901 0.000 2.525 313 S HA 0.617 5.087 4.470 -0.000 0.000 0.290 313 S C -0.546 173.943 174.600 -0.185 0.000 1.152 313 S CA -0.720 57.244 58.200 -0.393 0.000 1.072 313 S CB 0.371 63.401 63.200 -0.283 0.000 1.027 313 S HN 0.510 nan 8.310 nan 0.000 0.500 314 L N 2.511 123.673 121.223 -0.102 0.000 2.303 314 L HA 0.784 5.124 4.340 -0.000 0.000 0.256 314 L C -0.766 176.065 176.870 -0.064 0.000 1.034 314 L CA -0.888 53.929 54.840 -0.039 0.000 0.832 314 L CB 2.443 44.469 42.059 -0.054 0.000 1.403 314 L HN 0.795 nan 8.230 nan 0.000 0.419 315 S N 0.838 116.471 115.700 -0.111 0.000 2.542 315 S HA 0.667 5.137 4.470 -0.000 0.000 0.276 315 S C -1.527 172.860 174.600 -0.356 0.000 1.148 315 S CA -0.717 57.330 58.200 -0.256 0.000 0.886 315 S CB 2.094 65.164 63.200 -0.217 0.000 1.109 315 S HN 0.459 nan 8.310 nan 0.000 0.458 316 L N 1.886 122.816 121.223 -0.488 0.000 2.342 316 L HA 0.814 5.154 4.340 -0.000 0.000 0.271 316 L C -1.619 174.937 176.870 -0.523 0.000 1.008 316 L CA -0.871 53.708 54.840 -0.435 0.000 0.818 316 L CB 1.462 43.283 42.059 -0.397 0.000 1.296 316 L HN 0.854 nan 8.230 nan 0.000 0.427 317 I N 3.727 124.075 120.570 -0.370 0.000 2.410 317 I HA 0.465 4.635 4.170 -0.000 0.000 0.286 317 I C -0.624 175.375 176.117 -0.197 0.000 1.009 317 I CA -0.657 60.406 61.300 -0.396 0.000 1.111 317 I CB 1.453 39.102 38.000 -0.585 0.000 1.262 317 I HN 0.597 nan 8.210 nan 0.000 0.443 318 R N 7.287 127.688 120.500 -0.164 0.000 2.265 318 R HA 0.776 5.116 4.340 -0.000 0.000 0.319 318 R C -1.700 174.513 176.300 -0.145 0.000 1.006 318 R CA -0.320 55.680 56.100 -0.167 0.000 0.880 318 R CB 0.862 31.019 30.300 -0.237 0.000 1.077 318 R HN 0.580 nan 8.270 nan 0.000 0.454 319 L N 3.103 124.271 121.223 -0.092 0.000 2.356 319 L HA 0.617 4.957 4.340 -0.000 0.000 0.277 319 L C 0.020 176.842 176.870 -0.080 0.000 0.996 319 L CA -1.468 53.330 54.840 -0.070 0.000 0.822 319 L CB 2.098 44.124 42.059 -0.055 0.000 1.256 319 L HN 0.939 nan 8.230 nan 0.000 0.413 320 A N 2.129 124.826 122.820 -0.204 0.000 2.462 320 A HA 0.306 4.626 4.320 -0.000 0.000 0.243 320 A C 1.066 178.424 177.584 -0.378 0.000 1.076 320 A CA -0.005 51.717 52.037 -0.525 0.000 0.773 320 A CB 0.729 19.154 19.000 -0.958 0.000 1.010 320 A HN 0.753 nan 8.150 nan 0.000 0.493 321 V N 0.301 119.947 119.914 -0.446 0.000 2.878 321 V HA 0.238 4.358 4.120 -0.000 0.000 0.250 321 V C 1.181 177.193 176.094 -0.137 0.000 1.075 321 V CA 1.589 63.714 62.300 -0.290 0.000 1.096 321 V CB -0.580 30.880 31.823 -0.606 0.000 0.724 321 V HN 0.759 nan 8.190 nan 0.000 0.467 322 R N 1.783 122.159 120.500 -0.206 0.000 2.886 322 R HA 0.413 4.753 4.340 -0.000 0.000 0.306 322 R C -2.163 174.072 176.300 -0.108 0.000 1.300 322 R CA -1.491 54.571 56.100 -0.064 0.000 1.441 322 R CB 0.309 30.625 30.300 0.028 0.000 1.328 322 R HN 0.523 nan 8.270 nan 0.000 0.629 330 Y N 2.535 122.875 120.300 0.066 0.000 2.224 330 Y HA -0.136 4.414 4.550 -0.000 0.000 0.289 330 Y C 1.657 177.628 175.900 0.118 0.000 1.146 330 Y CA 1.892 60.056 58.100 0.106 0.000 1.182 330 Y CB -0.230 38.271 38.460 0.069 0.000 0.983 330 Y HN -0.103 nan 8.280 nan 0.000 0.524 331 N N 0.272 118.892 118.700 -0.133 0.000 2.106 331 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 331 N C -0.139 175.304 175.510 -0.112 0.000 1.029 331 N CA 1.407 54.308 53.050 -0.249 0.000 0.848 331 N CB -0.174 38.237 38.487 -0.126 0.000 1.007 331 N HN 0.507 nan 8.380 nan 0.000 0.423 332 Q N -0.495 119.293 119.800 -0.020 0.000 2.305 332 Q HA 0.488 4.828 4.340 -0.000 0.000 0.271 332 Q C -1.099 174.897 176.000 -0.006 0.000 1.046 332 Q CA -0.524 55.265 55.803 -0.023 0.000 0.798 332 Q CB 3.116 31.880 28.738 0.044 0.000 1.286 332 Q HN -0.042 nan 8.270 nan 0.000 0.435 333 K N 1.500 121.862 120.400 -0.063 0.000 2.477 333 K HA 0.545 4.865 4.320 -0.000 0.000 0.255 333 K C -2.082 174.488 176.600 -0.050 0.000 0.952 333 K CA -0.573 55.702 56.287 -0.020 0.000 0.826 333 K CB 1.979 34.467 32.500 -0.020 0.000 1.331 333 K HN 0.574 nan 8.250 nan 0.000 0.437 334 Y N 2.340 122.572 120.300 -0.115 0.000 2.499 334 Y HA 0.643 5.193 4.550 0.000 0.000 0.347 334 Y C -1.151 174.712 175.900 -0.062 0.000 0.987 334 Y CA -0.758 57.268 58.100 -0.124 0.000 1.044 334 Y CB 1.339 39.766 38.460 -0.054 0.000 1.245 334 Y HN 0.451 nan 8.280 nan 0.000 0.461 335 I N 3.353 123.664 120.570 -0.432 0.000 2.722 335 I HA 0.573 4.743 4.170 -0.000 0.000 0.295 335 I C -1.119 174.841 176.117 -0.262 0.000 1.161 335 I CA -1.069 60.107 61.300 -0.206 0.000 1.032 335 I CB 2.300 40.194 38.000 -0.176 0.000 1.244 335 I HN 0.705 nan 8.210 nan 0.000 0.421 336 A N 6.923 129.719 122.820 -0.041 0.000 2.341 336 A HA 0.669 4.989 4.320 -0.000 0.000 0.326 336 A C -0.368 177.191 177.584 -0.043 0.000 1.402 336 A CA -0.389 51.638 52.037 -0.016 0.000 0.957 336 A CB -0.210 18.829 19.000 0.065 0.000 1.151 336 A HN 0.612 nan 8.150 nan 0.000 0.533 337 I N 2.807 123.331 120.570 -0.077 0.000 2.668 337 I HA 0.036 4.206 4.170 -0.000 0.000 0.285 337 I C 1.739 177.831 176.117 -0.042 0.000 1.168 337 I CA 0.735 62.005 61.300 -0.051 0.000 1.424 337 I CB 0.997 38.960 38.000 -0.062 0.000 1.377 337 I HN 0.817 nan 8.210 nan 0.000 0.560 338 T N 1.827 116.367 114.554 -0.025 0.000 3.038 338 T HA 0.220 4.570 4.350 -0.000 0.000 0.244 338 T C 0.701 175.385 174.700 -0.026 0.000 1.016 338 T CA -0.063 62.021 62.100 -0.027 0.000 1.098 338 T CB 0.154 69.012 68.868 -0.017 0.000 0.954 338 T HN 0.358 nan 8.240 nan 0.000 0.469 339 K N 1.058 121.450 120.400 -0.013 0.000 2.244 339 K HA 0.708 5.028 4.320 -0.000 0.000 0.260 339 K C -1.763 174.840 176.600 0.006 0.000 0.951 339 K CA -0.657 55.626 56.287 -0.007 0.000 0.826 339 K CB 2.565 35.061 32.500 -0.007 0.000 1.108 339 K HN -0.004 nan 8.250 nan 0.000 0.433 340 V N 3.149 123.068 119.914 0.007 0.000 2.577 340 V HA 0.138 4.258 4.120 -0.000 0.000 0.294 340 V C -0.974 175.148 176.094 0.046 0.000 1.052 340 V CA -0.809 61.508 62.300 0.028 0.000 0.891 340 V CB 1.728 33.553 31.823 0.004 0.000 1.017 340 V HN 0.753 nan 8.190 nan 0.000 0.436 341 E N 5.123 125.368 120.200 0.075 0.000 2.081 341 E HA 0.387 4.737 4.350 -0.000 0.000 0.281 341 E C 0.375 177.068 176.600 0.156 0.000 0.986 341 E CA -0.428 56.030 56.400 0.096 0.000 0.796 341 E CB 1.101 30.852 29.700 0.084 0.000 1.085 341 E HN 0.631 nan 8.360 nan 0.000 0.398 342 R N 2.759 123.359 120.500 0.166 0.000 2.513 342 R HA 0.253 4.593 4.340 -0.000 0.000 0.245 342 R C 0.993 177.495 176.300 0.336 0.000 0.908 342 R CA 0.688 56.941 56.100 0.256 0.000 1.023 342 R CB 0.655 31.040 30.300 0.142 0.000 1.338 342 R HN 0.682 nan 8.270 nan 0.000 0.575 343 G N 1.795 110.731 108.800 0.227 0.000 4.794 343 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.275 343 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.275 343 G C 0.799 175.784 174.900 0.141 0.000 1.648 343 G CA 0.280 45.501 45.100 0.202 0.000 1.154 343 G HN 0.188 nan 8.290 nan 0.000 0.680 344 K N -0.093 120.382 120.400 0.125 0.000 2.329 344 K HA 0.273 4.593 4.320 -0.000 0.000 0.198 344 K C 0.539 177.134 176.600 -0.009 0.000 1.085 344 K CA 0.015 56.295 56.287 -0.011 0.000 0.961 344 K CB 0.155 32.572 32.500 -0.138 0.000 0.971 344 K HN 0.451 nan 8.250 nan 0.000 0.502 345 Y N 2.420 122.766 120.300 0.077 0.000 2.810 345 Y HA -0.138 4.412 4.550 -0.000 0.000 0.332 345 Y C 1.515 177.415 175.900 -0.001 0.000 1.243 345 Y CA 0.376 58.490 58.100 0.022 0.000 1.537 345 Y CB 0.277 38.681 38.460 -0.094 0.000 1.265 345 Y HN 0.114 nan 8.280 nan 0.000 0.572 346 D N 1.753 122.228 120.400 0.126 0.000 2.178 346 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 346 D C 0.032 176.319 176.300 -0.021 0.000 0.974 346 D CA 1.257 55.308 54.000 0.085 0.000 0.841 346 D CB 0.274 41.203 40.800 0.215 0.000 0.953 346 D HN 0.698 nan 8.370 nan 0.000 0.478 347 K N -1.466 118.865 120.400 -0.115 0.000 2.575 347 K HA 0.490 4.810 4.320 -0.000 0.000 0.279 347 K C -1.001 175.484 176.600 -0.192 0.000 0.969 347 K CA -1.003 55.179 56.287 -0.175 0.000 0.868 347 K CB 2.119 34.473 32.500 -0.244 0.000 1.457 347 K HN -0.139 nan 8.250 nan 0.000 0.426 348 V N -1.651 118.190 119.914 -0.120 0.000 3.126 348 V HA 0.830 4.950 4.120 -0.000 0.000 0.314 348 V C -0.638 175.522 176.094 0.110 0.000 1.138 348 V CA -0.963 61.289 62.300 -0.080 0.000 1.034 348 V CB 1.905 33.568 31.823 -0.267 0.000 1.075 348 V HN 1.037 nan 8.190 nan 0.000 0.442 349 M N 2.041 121.740 119.600 0.165 0.000 2.523 349 M HA 0.519 4.999 4.480 -0.000 0.000 0.287 349 M C -3.165 173.232 176.300 0.162 0.000 1.160 349 M CA -1.347 54.062 55.300 0.181 0.000 0.902 349 M CB 2.862 35.483 32.600 0.034 0.000 1.752 349 M HN 0.647 nan 8.290 nan 0.000 0.504 350 P HA 0.060 nan 4.420 nan 0.000 0.269 350 P C -1.662 175.803 177.300 0.274 0.000 1.215 350 P CA 0.434 63.655 63.100 0.202 0.000 0.780 350 P CB 0.201 31.996 31.700 0.158 0.000 0.898 351 Y N 0.829 121.182 120.300 0.088 0.000 2.532 351 Y HA 0.444 4.994 4.550 0.000 0.000 0.318 351 Y C -0.084 175.836 175.900 0.032 0.000 1.138 351 Y CA -0.358 57.734 58.100 -0.014 0.000 1.306 351 Y CB 0.634 39.048 38.460 -0.077 0.000 1.106 351 Y HN 0.784 nan 8.280 nan 0.000 0.588 352 G N 2.308 111.150 108.800 0.069 0.000 2.321 352 G HA2 0.112 4.072 3.960 -0.000 0.000 0.298 352 G HA3 0.112 4.072 3.960 -0.000 0.000 0.298 352 G C -3.018 171.902 174.900 0.034 0.000 1.385 352 G CA -0.792 44.306 45.100 -0.003 0.000 0.856 352 G HN 0.011 nan 8.290 nan 0.000 0.584 353 P HA 0.086 nan 4.420 nan 0.000 0.214 353 P C 0.882 178.262 177.300 0.133 0.000 1.162 353 P CA 1.590 64.707 63.100 0.028 0.000 0.871 353 P CB 0.230 31.917 31.700 -0.020 0.000 0.783 354 S N -1.852 113.942 115.700 0.157 0.000 2.599 354 S HA 0.766 5.236 4.470 -0.000 0.000 0.287 354 S C -0.023 174.679 174.600 0.171 0.000 1.105 354 S CA -0.344 57.974 58.200 0.197 0.000 0.899 354 S CB 2.040 65.371 63.200 0.219 0.000 1.100 354 S HN 0.268 nan 8.310 nan 0.000 0.482 355 G N 0.365 109.238 108.800 0.121 0.000 3.252 355 G HA2 0.843 4.803 3.960 -0.000 0.000 0.181 355 G HA3 0.843 4.803 3.960 -0.000 0.000 0.181 355 G C -0.747 174.204 174.900 0.084 0.000 1.187 355 G CA -0.640 44.496 45.100 0.060 0.000 0.886 355 G HN 1.422 nan 8.290 nan 0.000 0.615 356 I N -2.772 117.828 120.570 0.050 0.000 3.181 356 I HA 0.637 4.807 4.170 -0.000 0.000 0.311 356 I C -1.145 175.016 176.117 0.074 0.000 1.287 356 I CA -1.324 60.028 61.300 0.087 0.000 0.958 356 I CB 2.616 40.679 38.000 0.105 0.000 1.294 356 I HN 0.523 nan 8.210 nan 0.000 0.467 357 K N 1.845 122.289 120.400 0.073 0.000 2.208 357 K HA 0.564 4.884 4.320 -0.000 0.000 0.247 357 K C -1.307 175.328 176.600 0.058 0.000 0.953 357 K CA -0.584 55.709 56.287 0.011 0.000 0.837 357 K CB 2.182 34.631 32.500 -0.086 0.000 1.131 357 K HN 0.830 nan 8.250 nan 0.000 0.431 358 Q N 1.115 120.935 119.800 0.033 0.000 2.695 358 Q HA 0.247 4.587 4.340 -0.000 0.000 0.246 358 Q C 0.147 176.151 176.000 0.006 0.000 0.961 358 Q CA -0.126 55.719 55.803 0.071 0.000 0.708 358 Q CB 1.492 30.352 28.738 0.203 0.000 1.282 358 Q HN 1.086 nan 8.270 nan 0.000 0.482 359 G N 3.246 112.047 108.800 0.002 0.000 2.686 359 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.329 359 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.329 359 G C 0.335 175.183 174.900 -0.086 0.000 1.187 359 G CA 0.740 45.843 45.100 0.004 0.000 0.965 359 G HN 0.598 nan 8.290 nan 0.000 0.549 360 D N 1.899 122.254 120.400 -0.076 0.000 2.587 360 D HA 0.461 5.101 4.640 -0.000 0.000 0.233 360 D C 0.063 176.246 176.300 -0.195 0.000 1.213 360 D CA 0.590 54.523 54.000 -0.112 0.000 0.827 360 D CB 0.131 40.914 40.800 -0.028 0.000 1.006 360 D HN 0.294 nan 8.370 nan 0.000 0.490 361 T N 0.183 114.594 114.554 -0.238 0.000 2.971 361 T HA 0.405 4.755 4.350 -0.000 0.000 0.304 361 T C -0.013 174.497 174.700 -0.317 0.000 1.038 361 T CA -0.595 61.343 62.100 -0.270 0.000 1.007 361 T CB 1.578 70.282 68.868 -0.273 0.000 1.055 361 T HN -0.084 nan 8.240 nan 0.000 0.451 362 L N 2.579 123.625 121.223 -0.295 0.000 2.379 362 L HA 0.635 4.975 4.340 -0.000 0.000 0.269 362 L C -1.062 175.549 176.870 -0.431 0.000 1.084 362 L CA -0.960 53.725 54.840 -0.258 0.000 0.802 362 L CB 0.613 42.592 42.059 -0.132 0.000 1.175 362 L HN 0.620 nan 8.230 nan 0.000 0.448 363 Y N 1.007 121.243 120.300 -0.105 0.000 2.322 363 Y HA 0.464 5.014 4.550 0.000 0.000 0.324 363 Y C -0.582 175.275 175.900 -0.072 0.000 1.027 363 Y CA -0.452 57.660 58.100 0.021 0.000 1.179 363 Y CB 1.429 39.908 38.460 0.031 0.000 1.136 363 Y HN 0.259 nan 8.280 nan 0.000 0.449 364 F N 4.958 125.041 119.950 0.222 0.000 2.425 364 F HA 0.605 5.132 4.527 0.000 0.000 0.331 364 F C -2.104 173.816 175.800 0.199 0.000 1.085 364 F CA -2.584 55.527 58.000 0.185 0.000 1.028 364 F CB 1.329 40.411 39.000 0.137 0.000 1.177 364 F HN 0.237 nan 8.300 nan 0.000 0.487 365 P HA 0.398 nan 4.420 nan 0.000 0.275 365 P C -1.160 176.341 177.300 0.334 0.000 1.227 365 P CA 0.034 63.301 63.100 0.279 0.000 0.781 365 P CB 1.573 33.358 31.700 0.142 0.000 0.906 366 A N 2.307 125.346 122.820 0.365 0.000 2.557 366 A HA 0.739 5.059 4.320 -0.000 0.000 0.292 366 A C -1.506 176.338 177.584 0.432 0.000 1.139 366 A CA -0.568 51.700 52.037 0.384 0.000 0.665 366 A CB 1.572 20.817 19.000 0.408 0.000 1.285 366 A HN 0.448 nan 8.150 nan 0.000 0.433 367 V N -0.833 119.262 119.914 0.302 0.000 3.087 367 V HA 0.865 4.985 4.120 -0.000 0.000 0.306 367 V C -0.158 175.748 176.094 -0.313 0.000 1.187 367 V CA 0.395 62.739 62.300 0.074 0.000 0.999 367 V CB 2.143 33.862 31.823 -0.174 0.000 1.049 367 V HN 1.983 nan 8.190 nan 0.000 0.431 368 G N 3.276 111.720 108.800 -0.594 0.000 2.452 368 G HA2 0.700 4.660 3.960 -0.000 0.000 0.324 368 G HA3 0.700 4.660 3.960 -0.000 0.000 0.324 368 G C -1.399 173.339 174.900 -0.269 0.000 1.214 368 G CA -0.555 44.051 45.100 -0.822 0.000 0.947 368 G HN 0.636 nan 8.290 nan 0.000 0.478 369 F N 1.811 121.629 119.950 -0.221 0.000 2.307 369 F HA 0.342 4.869 4.527 0.000 0.000 0.369 369 F C 0.058 175.773 175.800 -0.142 0.000 1.076 369 F CA -0.826 56.996 58.000 -0.297 0.000 1.149 369 F CB 1.534 40.113 39.000 -0.703 0.000 1.410 369 F HN 0.172 nan 8.300 nan 0.000 0.481 370 L N 6.189 127.581 121.223 0.282 0.000 2.334 370 L HA 0.574 4.914 4.340 -0.000 0.000 0.277 370 L C -2.314 174.821 176.870 0.443 0.000 1.075 370 L CA -2.391 52.604 54.840 0.259 0.000 0.804 370 L CB 0.772 42.898 42.059 0.113 0.000 1.174 370 L HN 0.123 nan 8.230 nan 0.000 0.438 371 P HA 0.168 nan 4.420 nan 0.000 0.282 371 P C -0.374 176.961 177.300 0.059 0.000 1.262 371 P CA -0.384 62.794 63.100 0.130 0.000 0.773 371 P CB 0.469 32.092 31.700 -0.129 0.000 0.879 372 R N 1.901 122.411 120.500 0.017 0.000 2.200 372 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 372 R C 1.387 177.747 176.300 0.101 0.000 1.127 372 R CA 1.870 58.039 56.100 0.115 0.000 0.989 372 R CB -2.046 28.285 30.300 0.052 0.000 0.869 372 R HN 0.411 nan 8.270 nan 0.000 0.459 373 T N -0.874 113.674 114.554 -0.009 0.000 2.896 373 T HA -0.148 4.202 4.350 -0.000 0.000 0.270 373 T C 1.133 175.849 174.700 0.027 0.000 1.104 373 T CA 1.514 63.607 62.100 -0.012 0.000 1.115 373 T CB -0.139 68.688 68.868 -0.068 0.000 0.843 373 T HN 0.406 nan 8.240 nan 0.000 0.523 374 E N -0.461 119.776 120.200 0.061 0.000 2.562 374 E HA 0.280 4.630 4.350 -0.000 0.000 0.214 374 E C -0.228 176.427 176.600 0.092 0.000 0.979 374 E CA -0.497 55.937 56.400 0.056 0.000 1.002 374 E CB 0.154 29.877 29.700 0.038 0.000 1.048 374 E HN 0.609 nan 8.360 nan 0.000 0.488 375 F N 2.621 122.572 119.950 0.001 0.000 2.438 375 F HA 0.264 4.791 4.527 -0.000 0.000 0.356 375 F C -0.028 175.805 175.800 0.055 0.000 1.099 375 F CA -0.539 57.475 58.000 0.024 0.000 1.185 375 F CB 0.745 39.766 39.000 0.035 0.000 1.115 375 F HN -0.317 nan 8.300 nan 0.000 0.526 376 Q N 6.024 125.339 119.800 -0.809 0.000 2.372 376 Q HA 0.321 4.661 4.340 -0.000 0.000 0.259 376 Q C -1.867 173.729 176.000 -0.672 0.000 0.993 376 Q CA -0.251 55.229 55.803 -0.539 0.000 0.854 376 Q CB 0.979 29.546 28.738 -0.284 0.000 1.231 376 Q HN 0.655 nan 8.270 nan 0.000 0.462 377 Y N 2.120 122.136 120.300 -0.474 0.000 2.479 377 Y HA 0.421 4.971 4.550 -0.000 0.000 0.338 377 Y C -1.140 174.726 175.900 -0.057 0.000 1.055 377 Y CA -1.474 56.499 58.100 -0.211 0.000 1.023 377 Y CB 1.442 39.930 38.460 0.048 0.000 1.287 377 Y HN 0.579 nan 8.280 nan 0.000 0.447 378 N N 4.138 122.447 118.700 -0.651 0.000 2.408 378 N HA 0.127 4.867 4.740 -0.000 0.000 0.257 378 N C 0.219 175.342 175.510 -0.646 0.000 1.064 378 N CA 0.184 52.940 53.050 -0.490 0.000 0.952 378 N CB 0.736 39.011 38.487 -0.353 0.000 1.093 378 N HN 0.711 nan 8.380 nan 0.000 0.490 379 D N 1.773 122.007 120.400 -0.277 0.000 2.310 379 D HA -0.085 4.555 4.640 -0.000 0.000 0.212 379 D C 0.893 177.131 176.300 -0.104 0.000 0.965 379 D CA 0.771 54.701 54.000 -0.117 0.000 0.879 379 D CB 0.297 41.097 40.800 0.000 0.000 0.921 379 D HN 0.550 nan 8.370 nan 0.000 0.510 380 S N 1.228 116.848 115.700 -0.133 0.000 2.399 380 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 380 S C 1.549 176.099 174.600 -0.084 0.000 1.022 380 S CA 0.638 58.782 58.200 -0.093 0.000 0.983 380 S CB -0.098 63.048 63.200 -0.089 0.000 0.803 380 S HN 0.304 nan 8.310 nan 0.000 0.480 381 N N 0.724 119.336 118.700 -0.147 0.000 2.512 381 N HA -0.007 4.733 4.740 -0.000 0.000 0.183 381 N C 0.479 176.037 175.510 0.081 0.000 1.073 381 N CA 0.222 53.233 53.050 -0.065 0.000 0.911 381 N CB -0.605 37.800 38.487 -0.137 0.000 0.964 381 N HN 0.337 nan 8.380 nan 0.000 0.447 382 c N 4.237 122.896 118.600 0.098 0.000 2.624 382 c HA 0.197 4.767 4.570 -0.000 0.000 0.397 382 c C -2.123 171.990 174.090 0.038 0.000 1.331 382 c CA -1.426 54.998 56.329 0.157 0.000 1.716 382 c CB -0.311 42.281 42.510 0.136 0.000 2.452 382 c HN 0.214 nan 8.230 nan 0.000 0.586 383 P HA 0.217 nan 4.420 nan 0.000 0.283 383 P C 0.258 177.526 177.300 -0.052 0.000 1.412 383 P CA 0.195 63.310 63.100 0.025 0.000 0.912 383 P CB 0.016 31.783 31.700 0.110 0.000 1.132 384 I N -0.492 120.040 120.570 -0.063 0.000 4.050 384 I HA 0.230 4.400 4.170 -0.000 0.000 0.327 384 I C 1.004 177.083 176.117 -0.064 0.000 1.473 384 I CA -0.375 60.878 61.300 -0.078 0.000 1.124 384 I CB -0.059 37.887 38.000 -0.091 0.000 1.129 384 I HN -0.019 nan 8.210 nan 0.000 0.428 385 I N 1.771 122.290 120.570 -0.085 0.000 2.286 385 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 385 I C 1.935 177.892 176.117 -0.266 0.000 1.115 385 I CA 1.415 62.602 61.300 -0.189 0.000 1.392 385 I CB -0.340 37.507 38.000 -0.255 0.000 1.065 385 I HN 0.366 nan 8.210 nan 0.000 0.418 386 H N -0.811 118.252 119.070 -0.012 0.000 2.537 386 H HA 0.280 4.836 4.556 -0.000 0.000 0.295 386 H C -0.267 175.056 175.328 -0.008 0.000 1.054 386 H CA -0.115 55.928 56.048 -0.009 0.000 1.156 386 H CB -0.010 29.754 29.762 0.003 0.000 1.468 386 H HN 0.258 nan 8.280 nan 0.000 0.551 387 c N 2.115 120.747 118.600 0.053 0.000 2.248 387 c HA 0.125 4.695 4.570 -0.000 0.000 0.320 387 c C 2.011 176.103 174.090 0.002 0.000 1.065 387 c CA -0.902 55.450 56.329 0.039 0.000 1.558 387 c CB 0.317 42.830 42.510 0.004 0.000 1.787 387 c HN 0.584 nan 8.230 nan 0.000 0.426 388 K N 1.199 121.588 120.400 -0.019 0.000 2.044 388 K HA -0.237 4.083 4.320 -0.000 0.000 0.224 388 K C 0.784 177.291 176.600 -0.155 0.000 1.056 388 K CA 2.244 58.439 56.287 -0.153 0.000 0.962 388 K CB -0.114 32.216 32.500 -0.283 0.000 0.730 388 K HN 0.768 nan 8.250 nan 0.000 0.453 389 Y N 0.045 120.333 120.300 -0.021 0.000 2.478 389 Y HA 0.154 4.704 4.550 -0.000 0.000 0.261 389 Y C 0.779 176.655 175.900 -0.041 0.000 1.127 389 Y CA -0.204 57.881 58.100 -0.025 0.000 1.288 389 Y CB 0.649 39.100 38.460 -0.016 0.000 1.084 389 Y HN -0.130 nan 8.280 nan 0.000 0.530 390 S N 1.944 117.694 115.700 0.084 0.000 2.510 390 S HA 0.134 4.604 4.470 -0.000 0.000 0.279 390 S C 0.204 174.783 174.600 -0.035 0.000 1.284 390 S CA -0.672 57.521 58.200 -0.012 0.000 1.059 390 S CB 0.515 63.657 63.200 -0.098 0.000 0.901 390 S HN 0.171 nan 8.310 nan 0.000 0.491 391 K N 1.405 121.782 120.400 -0.037 0.000 2.118 391 K HA 0.393 4.713 4.320 -0.000 0.000 0.240 391 K C 1.234 177.803 176.600 -0.052 0.000 1.035 391 K CA -0.362 55.905 56.287 -0.032 0.000 0.899 391 K CB 0.342 32.835 32.500 -0.011 0.000 1.085 391 K HN 0.590 nan 8.250 nan 0.000 0.498 392 A N 1.197 124.000 122.820 -0.027 0.000 2.021 392 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 392 A C 1.724 179.323 177.584 0.025 0.000 1.163 392 A CA 0.943 52.972 52.037 -0.013 0.000 0.676 392 A CB -0.387 18.607 19.000 -0.010 0.000 0.818 392 A HN 0.830 nan 8.150 nan 0.000 0.453 393 E N 0.462 120.679 120.200 0.028 0.000 2.274 393 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 393 E C 1.394 178.025 176.600 0.051 0.000 0.996 393 E CA 0.681 57.119 56.400 0.063 0.000 0.840 393 E CB -0.365 29.368 29.700 0.054 0.000 0.772 393 E HN 0.448 nan 8.360 nan 0.000 0.491 394 N N 1.322 120.016 118.700 -0.010 0.000 2.157 394 N HA -0.279 4.461 4.740 -0.000 0.000 0.198 394 N C 1.603 177.105 175.510 -0.012 0.000 0.987 394 N CA 1.984 54.998 53.050 -0.061 0.000 0.899 394 N CB -1.117 37.246 38.487 -0.206 0.000 1.077 394 N HN 0.302 nan 8.380 nan 0.000 0.586 395 c N 0.275 118.874 118.600 -0.001 0.000 2.388 395 c HA -0.165 4.405 4.570 -0.000 0.000 0.277 395 c C 2.758 176.911 174.090 0.104 0.000 1.210 395 c CA 1.192 57.609 56.329 0.146 0.000 1.743 395 c CB -1.207 41.436 42.510 0.221 0.000 2.047 395 c HN 0.567 nan 8.230 nan 0.000 0.458 396 R N 0.951 121.526 120.500 0.125 0.000 2.080 396 R HA -0.139 4.201 4.340 -0.000 0.000 0.236 396 R C 2.105 178.418 176.300 0.021 0.000 1.137 396 R CA 1.859 58.026 56.100 0.111 0.000 0.943 396 R CB -0.548 29.933 30.300 0.301 0.000 0.846 396 R HN 0.534 nan 8.270 nan 0.000 0.431 397 L N 0.546 121.797 121.223 0.048 0.000 2.043 397 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 397 L C 2.670 179.549 176.870 0.015 0.000 1.075 397 L CA 1.696 56.550 54.840 0.024 0.000 0.752 397 L CB -0.702 41.381 42.059 0.040 0.000 0.891 397 L HN 0.356 nan 8.230 nan 0.000 0.432 398 S N -0.774 114.963 115.700 0.062 0.000 2.603 398 S HA -0.021 4.449 4.470 -0.000 0.000 0.229 398 S C 1.737 176.352 174.600 0.026 0.000 0.972 398 S CA 0.366 58.639 58.200 0.121 0.000 0.935 398 S CB -0.031 63.358 63.200 0.315 0.000 0.769 398 S HN 0.264 nan 8.310 nan 0.000 0.536 399 M N 1.376 120.921 119.600 -0.092 0.000 2.618 399 M HA 0.235 4.715 4.480 -0.000 0.000 0.240 399 M C 1.010 177.156 176.300 -0.257 0.000 1.123 399 M CA 0.189 55.355 55.300 -0.223 0.000 1.060 399 M CB -0.520 31.824 32.600 -0.427 0.000 1.535 399 M HN 0.414 nan 8.290 nan 0.000 0.507 400 G N -1.072 107.615 108.800 -0.187 0.000 2.788 400 G HA2 0.473 4.433 3.960 -0.000 0.000 0.293 400 G HA3 0.473 4.433 3.960 -0.000 0.000 0.293 400 G C 0.550 175.327 174.900 -0.205 0.000 1.305 400 G CA -0.657 44.319 45.100 -0.206 0.000 1.005 400 G HN -0.086 nan 8.290 nan 0.000 0.496 401 V N 0.299 120.056 119.914 -0.262 0.000 2.229 401 V HA -0.072 4.048 4.120 -0.000 0.000 0.243 401 V C 1.165 177.302 176.094 0.071 0.000 1.042 401 V CA 1.522 63.721 62.300 -0.169 0.000 1.000 401 V CB -0.671 31.031 31.823 -0.202 0.000 0.637 401 V HN 0.630 nan 8.190 nan 0.000 0.446 402 N N -0.016 118.710 118.700 0.045 0.000 2.509 402 N HA 0.197 4.937 4.740 -0.000 0.000 0.287 402 N C 1.100 176.630 175.510 0.034 0.000 1.121 402 N CA 0.521 53.610 53.050 0.064 0.000 0.977 402 N CB 1.227 39.751 38.487 0.061 0.000 1.167 402 N HN 0.281 nan 8.380 nan 0.000 0.476 403 S N 1.380 117.106 115.700 0.043 0.000 2.419 403 S HA -0.255 4.215 4.470 -0.000 0.000 0.235 403 S C 1.363 175.973 174.600 0.016 0.000 1.019 403 S CA 1.225 59.443 58.200 0.029 0.000 0.982 403 S CB -0.323 62.899 63.200 0.037 0.000 0.789 403 S HN 0.749 nan 8.310 nan 0.000 0.490 404 K N 2.111 122.523 120.400 0.021 0.000 2.379 404 K HA 0.219 4.539 4.320 -0.000 0.000 0.194 404 K C 0.685 177.290 176.600 0.009 0.000 1.031 404 K CA 0.393 56.689 56.287 0.014 0.000 1.037 404 K CB -0.322 32.191 32.500 0.022 0.000 0.824 404 K HN 0.358 nan 8.250 nan 0.000 0.516 405 S N 1.041 116.749 115.700 0.012 0.000 2.691 405 S HA -0.230 4.240 4.470 -0.000 0.000 0.320 405 S C 1.045 175.654 174.600 0.016 0.000 1.241 405 S CA 0.204 58.417 58.200 0.021 0.000 1.028 405 S CB 0.123 63.321 63.200 -0.003 0.000 0.726 405 S HN 0.446 nan 8.310 nan 0.000 0.488 406 H N 2.607 121.632 119.070 -0.075 0.000 2.389 406 H HA -0.007 4.549 4.556 0.000 0.000 0.299 406 H C -0.226 174.980 175.328 -0.203 0.000 1.081 406 H CA 1.478 57.418 56.048 -0.180 0.000 1.345 406 H CB -0.038 29.549 29.762 -0.291 0.000 1.393 406 H HN 0.760 nan 8.280 nan 0.000 0.520 407 Y N -0.415 119.974 120.300 0.147 0.000 2.567 407 Y HA 0.327 4.877 4.550 -0.000 0.000 0.333 407 Y C 0.296 176.151 175.900 -0.073 0.000 1.106 407 Y CA -1.278 56.870 58.100 0.081 0.000 1.157 407 Y CB 1.085 39.674 38.460 0.216 0.000 1.277 407 Y HN -0.013 nan 8.280 nan 0.000 0.490 408 I N -0.646 119.954 120.570 0.050 0.000 2.910 408 I HA 0.586 4.756 4.170 -0.000 0.000 0.310 408 I C -1.328 174.655 176.117 -0.223 0.000 1.043 408 I CA -1.488 59.702 61.300 -0.184 0.000 1.053 408 I CB 1.286 39.034 38.000 -0.419 0.000 1.242 408 I HN 0.313 nan 8.210 nan 0.000 0.452 409 L N 2.950 123.977 121.223 -0.326 0.000 2.294 409 L HA 0.623 4.963 4.340 -0.000 0.000 0.283 409 L C -0.351 176.384 176.870 -0.225 0.000 1.015 409 L CA -0.602 53.986 54.840 -0.421 0.000 0.831 409 L CB 1.207 42.960 42.059 -0.510 0.000 1.217 409 L HN 0.617 nan 8.230 nan 0.000 0.420 410 R N 2.003 122.433 120.500 -0.115 0.000 2.338 410 R HA 0.447 4.787 4.340 -0.000 0.000 0.317 410 R C -0.502 175.855 176.300 0.095 0.000 0.968 410 R CA -0.110 56.032 56.100 0.070 0.000 0.849 410 R CB 1.527 32.014 30.300 0.312 0.000 1.128 410 R HN 0.528 nan 8.270 nan 0.000 0.448 411 S N 1.342 117.128 115.700 0.144 0.000 2.632 411 S HA 0.853 5.323 4.470 -0.000 0.000 0.271 411 S C -0.108 174.631 174.600 0.231 0.000 1.260 411 S CA 0.332 58.671 58.200 0.232 0.000 1.010 411 S CB 1.475 64.827 63.200 0.254 0.000 0.965 411 S HN 0.839 nan 8.310 nan 0.000 0.534 412 G N 0.168 109.125 108.800 0.262 0.000 2.364 412 G HA2 0.476 4.436 3.960 -0.000 0.000 0.286 412 G HA3 0.476 4.436 3.960 -0.000 0.000 0.286 412 G C -2.376 172.608 174.900 0.140 0.000 1.241 412 G CA -0.781 44.322 45.100 0.006 0.000 0.887 412 G HN 0.572 nan 8.290 nan 0.000 0.484 413 L N -0.374 120.815 121.223 -0.057 0.000 2.354 413 L HA 0.706 5.046 4.340 -0.000 0.000 0.264 413 L C -0.400 176.568 176.870 0.164 0.000 1.008 413 L CA -0.634 54.312 54.840 0.177 0.000 0.819 413 L CB 2.220 44.437 42.059 0.264 0.000 1.339 413 L HN 0.425 nan 8.230 nan 0.000 0.420 414 L N 2.301 123.722 121.223 0.330 0.000 2.272 414 L HA 0.470 4.810 4.340 -0.000 0.000 0.289 414 L C -0.048 177.001 176.870 0.298 0.000 1.032 414 L CA -0.430 54.596 54.840 0.310 0.000 0.810 414 L CB 1.418 43.634 42.059 0.262 0.000 1.205 414 L HN 0.588 nan 8.230 nan 0.000 0.422 415 K N 3.666 124.183 120.400 0.196 0.000 2.227 415 K HA 0.222 4.542 4.320 -0.000 0.000 0.280 415 K C -1.658 174.976 176.600 0.056 0.000 1.041 415 K CA -0.358 55.939 56.287 0.016 0.000 0.905 415 K CB 0.830 33.365 32.500 0.059 0.000 1.068 415 K HN 0.443 nan 8.250 nan 0.000 0.470 416 Y N 4.456 124.636 120.300 -0.201 0.000 2.445 416 Y HA 0.238 4.788 4.550 -0.000 0.000 0.332 416 Y C -1.173 174.607 175.900 -0.200 0.000 1.037 416 Y CA -1.087 56.937 58.100 -0.128 0.000 1.296 416 Y CB 0.809 39.270 38.460 0.002 0.000 1.099 416 Y HN 0.628 nan 8.280 nan 0.000 0.496 417 N N 5.613 124.058 118.700 -0.425 0.000 2.420 417 N HA 0.205 4.945 4.740 -0.000 0.000 0.249 417 N C 0.558 175.807 175.510 -0.434 0.000 1.033 417 N CA 0.058 52.900 53.050 -0.347 0.000 0.944 417 N CB 0.991 39.342 38.487 -0.227 0.000 1.113 417 N HN 0.906 nan 8.380 nan 0.000 0.502 418 L N 1.666 122.702 121.223 -0.311 0.000 2.376 418 L HA -0.059 4.281 4.340 -0.000 0.000 0.219 418 L C 1.727 178.506 176.870 -0.153 0.000 1.133 418 L CA 0.488 55.186 54.840 -0.236 0.000 0.816 418 L CB -0.143 41.864 42.059 -0.087 0.000 0.933 418 L HN 0.458 nan 8.230 nan 0.000 0.449 419 S N 0.132 115.755 115.700 -0.129 0.000 2.500 419 S HA -0.030 4.440 4.470 -0.000 0.000 0.239 419 S C 1.065 175.606 174.600 -0.099 0.000 0.989 419 S CA 0.544 58.692 58.200 -0.087 0.000 0.951 419 S CB -0.376 62.783 63.200 -0.069 0.000 0.759 419 S HN 0.196 nan 8.310 nan 0.000 0.523 425 I N 5.229 125.741 120.570 -0.096 0.000 2.634 425 I HA 0.265 4.435 4.170 -0.000 0.000 0.284 425 I C -0.284 175.858 176.117 0.042 0.000 1.124 425 I CA -0.387 60.905 61.300 -0.014 0.000 1.417 425 I CB 0.340 38.325 38.000 -0.024 0.000 1.396 425 I HN 0.312 nan 8.210 nan 0.000 0.571 426 L N 5.781 127.072 121.223 0.114 0.000 2.334 426 L HA 0.441 4.781 4.340 -0.000 0.000 0.275 426 L C -0.306 176.636 176.870 0.119 0.000 1.036 426 L CA -0.451 54.482 54.840 0.154 0.000 0.807 426 L CB 1.156 43.294 42.059 0.133 0.000 1.231 426 L HN 0.555 nan 8.230 nan 0.000 0.438 427 Q N 2.322 122.207 119.800 0.140 0.000 2.275 427 Q HA 0.337 4.677 4.340 -0.000 0.000 0.266 427 Q C -1.300 174.829 176.000 0.214 0.000 1.002 427 Q CA -0.673 55.223 55.803 0.156 0.000 0.761 427 Q CB 2.749 31.551 28.738 0.107 0.000 1.255 427 Q HN 0.375 nan 8.270 nan 0.000 0.446 428 F N 4.073 124.078 119.950 0.092 0.000 2.484 428 F HA 0.255 4.782 4.527 0.000 0.000 0.360 428 F C -0.508 175.350 175.800 0.098 0.000 1.101 428 F CA -0.112 57.935 58.000 0.080 0.000 1.251 428 F CB 0.509 39.523 39.000 0.023 0.000 1.132 428 F HN 0.390 nan 8.300 nan 0.000 0.570 429 I N 6.234 126.388 120.570 -0.693 0.000 2.447 429 I HA 0.178 4.348 4.170 -0.000 0.000 0.287 429 I C -0.275 175.321 176.117 -0.868 0.000 1.023 429 I CA -0.659 60.341 61.300 -0.501 0.000 1.083 429 I CB 1.545 39.442 38.000 -0.172 0.000 1.245 429 I HN 0.629 nan 8.210 nan 0.000 0.434 430 E N 6.454 126.335 120.200 -0.532 0.000 2.374 430 E HA 0.383 4.733 4.350 -0.000 0.000 0.260 430 E C -0.521 176.000 176.600 -0.131 0.000 1.101 430 E CA -0.606 55.628 56.400 -0.278 0.000 0.907 430 E CB 2.153 31.976 29.700 0.205 0.000 1.014 430 E HN 0.523 nan 8.360 nan 0.000 0.427 431 I N 1.550 122.092 120.570 -0.045 0.000 2.638 431 I HA 0.207 4.377 4.170 -0.000 0.000 0.286 431 I C 0.174 176.309 176.117 0.029 0.000 1.088 431 I CA -0.131 61.138 61.300 -0.053 0.000 1.397 431 I CB 0.739 38.710 38.000 -0.048 0.000 1.414 431 I HN 0.790 nan 8.210 nan 0.000 0.566 432 A N 5.203 128.026 122.820 0.006 0.000 2.586 432 A HA -0.056 4.264 4.320 -0.000 0.000 0.231 432 A C 1.064 178.718 177.584 0.116 0.000 1.055 432 A CA 0.442 52.513 52.037 0.057 0.000 0.756 432 A CB -0.030 18.995 19.000 0.042 0.000 0.988 432 A HN 0.875 nan 8.150 nan 0.000 0.509 433 D N 1.278 121.753 120.400 0.125 0.000 2.392 433 D HA -0.106 4.534 4.640 -0.000 0.000 0.228 433 D C -0.021 176.363 176.300 0.139 0.000 1.003 433 D CA 0.511 54.600 54.000 0.147 0.000 0.917 433 D CB -0.771 40.128 40.800 0.166 0.000 0.890 433 D HN 0.588 nan 8.370 nan 0.000 0.532 434 N N 1.102 119.897 118.700 0.158 0.000 2.430 434 N HA 0.179 4.919 4.740 -0.000 0.000 0.265 434 N C -0.357 175.186 175.510 0.054 0.000 1.100 434 N CA -0.501 52.642 53.050 0.154 0.000 0.961 434 N CB 0.398 39.009 38.487 0.208 0.000 1.075 434 N HN -0.030 nan 8.380 nan 0.000 0.478 435 R N 1.091 121.547 120.500 -0.073 0.000 3.205 435 R HA -0.193 4.147 4.340 -0.000 0.000 0.249 435 R C -0.944 175.136 176.300 -0.366 0.000 0.937 435 R CA -0.055 55.861 56.100 -0.307 0.000 0.641 435 R CB -0.995 28.906 30.300 -0.664 0.000 1.114 435 R HN 0.432 nan 8.270 nan 0.000 0.451 436 L N 0.985 122.123 121.223 -0.141 0.000 2.410 436 L HA 0.240 4.580 4.340 -0.000 0.000 0.273 436 L C 0.855 177.597 176.870 -0.214 0.000 1.152 436 L CA 1.035 55.804 54.840 -0.117 0.000 0.855 436 L CB 1.179 43.225 42.059 -0.022 0.000 1.129 436 L HN 0.388 nan 8.230 nan 0.000 0.463 437 T N 2.376 116.791 114.554 -0.232 0.000 2.901 437 T HA 0.463 4.812 4.350 -0.000 0.000 0.293 437 T C 0.255 174.865 174.700 -0.151 0.000 1.084 437 T CA -0.906 61.039 62.100 -0.258 0.000 1.008 437 T CB 0.787 69.444 68.868 -0.351 0.000 1.170 437 T HN 0.643 nan 8.240 nan 0.000 0.509 438 I N 1.812 122.299 120.570 -0.140 0.000 2.948 438 I HA 0.296 4.466 4.170 -0.000 0.000 0.303 438 I C 1.180 177.242 176.117 -0.093 0.000 1.224 438 I CA 0.342 61.562 61.300 -0.133 0.000 1.442 438 I CB -0.112 37.811 38.000 -0.129 0.000 1.328 438 I HN 1.004 nan 8.210 nan 0.000 0.578 439 G N 5.553 114.287 108.800 -0.109 0.000 2.391 439 G HA2 0.312 4.272 3.960 -0.000 0.000 0.234 439 G HA3 0.312 4.272 3.960 -0.000 0.000 0.234 439 G C -0.392 174.520 174.900 0.021 0.000 1.284 439 G CA 0.287 45.373 45.100 -0.022 0.000 0.873 439 G HN 0.929 nan 8.290 nan 0.000 0.549 440 S N 2.194 117.889 115.700 -0.009 0.000 2.579 440 S HA 0.718 5.188 4.470 -0.000 0.000 0.272 440 S C -3.216 170.987 174.600 -0.663 0.000 1.141 440 S CA -1.467 56.509 58.200 -0.375 0.000 0.843 440 S CB 2.448 65.554 63.200 -0.156 0.000 1.122 440 S HN 0.331 nan 8.310 nan 0.000 0.468 441 P HA 0.243 nan 4.420 nan 0.000 0.264 441 P C -0.567 176.745 177.300 0.020 0.000 1.183 441 P CA 0.441 63.151 63.100 -0.648 0.000 0.763 441 P CB 0.475 31.870 31.700 -0.508 0.000 0.807 442 S N 1.479 117.241 115.700 0.102 0.000 2.611 442 S HA 0.732 5.202 4.470 -0.000 0.000 0.268 442 S C -1.325 173.321 174.600 0.077 0.000 1.156 442 S CA -0.995 57.340 58.200 0.224 0.000 0.817 442 S CB 2.020 65.309 63.200 0.150 0.000 1.122 442 S HN 0.473 nan 8.310 nan 0.000 0.466 443 K N 0.579 120.950 120.400 -0.048 0.000 2.565 443 K HA 0.592 4.912 4.320 -0.000 0.000 0.251 443 K C -1.839 174.682 176.600 -0.131 0.000 0.956 443 K CA -0.740 55.543 56.287 -0.007 0.000 0.809 443 K CB 1.832 34.473 32.500 0.236 0.000 1.267 443 K HN 0.831 nan 8.250 nan 0.000 0.438 444 I N 4.823 125.307 120.570 -0.144 0.000 2.498 444 I HA 0.565 4.735 4.170 -0.000 0.000 0.301 444 I C -1.638 174.595 176.117 0.193 0.000 0.984 444 I CA -0.702 60.573 61.300 -0.041 0.000 1.204 444 I CB 0.862 38.846 38.000 -0.028 0.000 1.362 444 I HN 0.788 nan 8.210 nan 0.000 0.471 445 Y N 2.564 122.865 120.300 0.001 0.000 2.424 445 Y HA 0.441 4.990 4.550 -0.000 0.000 0.323 445 Y C -1.517 174.382 175.900 -0.001 0.000 1.174 445 Y CA -1.307 56.821 58.100 0.047 0.000 1.060 445 Y CB -0.176 38.350 38.460 0.110 0.000 1.314 445 Y HN 0.530 nan 8.280 nan 0.000 0.439 446 N N 1.941 120.696 118.700 0.093 0.000 2.497 446 N HA 0.539 5.279 4.740 -0.000 0.000 0.268 446 N C -0.998 174.549 175.510 0.062 0.000 1.171 446 N CA 0.031 53.088 53.050 0.011 0.000 0.948 446 N CB 1.072 39.598 38.487 0.064 0.000 1.069 446 N HN 0.612 nan 8.380 nan 0.000 0.460 447 S N 1.725 117.383 115.700 -0.069 0.000 2.571 447 S HA 0.319 4.789 4.470 -0.000 0.000 0.284 447 S C -0.005 174.567 174.600 -0.047 0.000 1.128 447 S CA -0.760 57.415 58.200 -0.041 0.000 0.970 447 S CB 0.815 63.851 63.200 -0.273 0.000 1.039 447 S HN 0.603 nan 8.310 nan 0.000 0.485 448 L N 2.337 123.571 121.223 0.017 0.000 3.936 448 L HA -0.341 3.999 4.340 -0.000 0.000 0.453 448 L C 1.210 178.074 176.870 -0.010 0.000 1.158 448 L CA 0.686 55.528 54.840 0.002 0.000 0.831 448 L CB -2.379 39.661 42.059 -0.031 0.000 1.746 448 L HN 1.177 nan 8.230 nan 0.000 0.912 449 G N -1.114 107.687 108.800 0.002 0.000 2.284 449 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 449 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 449 G C -0.057 174.834 174.900 -0.015 0.000 1.009 449 G CA 0.464 45.565 45.100 0.001 0.000 0.625 449 G HN 0.641 nan 8.290 nan 0.000 0.501 450 Q N 1.293 121.067 119.800 -0.043 0.000 2.433 450 Q HA 0.765 5.105 4.340 -0.000 0.000 0.279 450 Q C -2.926 173.004 176.000 -0.116 0.000 1.105 450 Q CA -2.080 53.685 55.803 -0.064 0.000 0.815 450 Q CB 3.264 31.968 28.738 -0.056 0.000 1.403 450 Q HN 0.228 nan 8.270 nan 0.000 0.435 451 P HA 0.321 nan 4.420 nan 0.000 0.282 451 P C -1.144 175.973 177.300 -0.305 0.000 1.259 451 P CA -0.456 62.513 63.100 -0.219 0.000 0.826 451 P CB 1.244 32.854 31.700 -0.149 0.000 1.064 452 V N 1.874 121.432 119.914 -0.593 0.000 2.735 452 V HA 0.439 4.559 4.120 -0.000 0.000 0.310 452 V C -0.451 175.362 176.094 -0.468 0.000 1.061 452 V CA -0.586 61.395 62.300 -0.532 0.000 0.913 452 V CB 1.785 33.189 31.823 -0.699 0.000 1.005 452 V HN 0.491 nan 8.190 nan 0.000 0.428 453 F N 4.013 123.828 119.950 -0.226 0.000 2.470 453 F HA 0.769 5.296 4.527 -0.000 0.000 0.329 453 F C -0.955 174.964 175.800 0.198 0.000 1.072 453 F CA -0.580 57.399 58.000 -0.036 0.000 0.989 453 F CB 1.683 40.578 39.000 -0.174 0.000 1.193 453 F HN 0.576 nan 8.300 nan 0.000 0.481 454 Y N 4.251 124.674 120.300 0.204 0.000 2.470 454 Y HA 0.389 4.939 4.550 -0.000 0.000 0.341 454 Y C -1.590 174.532 175.900 0.370 0.000 1.021 454 Y CA -0.699 57.620 58.100 0.365 0.000 1.025 454 Y CB 1.448 40.060 38.460 0.253 0.000 1.266 454 Y HN 0.664 nan 8.280 nan 0.000 0.448 455 Q N 4.475 124.102 119.800 -0.289 0.000 2.353 455 Q HA 0.783 5.123 4.340 -0.000 0.000 0.268 455 Q C -1.106 174.403 176.000 -0.818 0.000 1.045 455 Q CA -1.071 54.581 55.803 -0.251 0.000 0.811 455 Q CB 1.962 30.856 28.738 0.260 0.000 1.305 455 Q HN 0.967 nan 8.270 nan 0.000 0.447 456 A N 2.342 124.947 122.820 -0.360 0.000 2.477 456 A HA 0.210 4.530 4.320 -0.000 0.000 0.246 456 A C -0.108 177.521 177.584 0.076 0.000 1.078 456 A CA -0.038 51.994 52.037 -0.010 0.000 0.770 456 A CB 0.365 19.721 19.000 0.593 0.000 1.011 456 A HN 0.714 nan 8.150 nan 0.000 0.494 457 S N 2.440 118.117 115.700 -0.037 0.000 4.120 457 S HA 0.183 4.653 4.470 -0.000 0.000 0.196 457 S C 0.010 174.557 174.600 -0.087 0.000 1.447 457 S CA -0.013 58.122 58.200 -0.108 0.000 0.939 457 S CB -0.686 62.415 63.200 -0.165 0.000 1.496 457 S HN 0.665 nan 8.310 nan 0.000 0.460 458 Y N 1.742 122.017 120.300 -0.043 0.000 2.529 458 Y HA 0.039 4.589 4.550 -0.000 0.000 0.290 458 Y C 1.647 177.630 175.900 0.139 0.000 1.177 458 Y CA 0.117 58.269 58.100 0.086 0.000 1.305 458 Y CB 0.351 38.964 38.460 0.255 0.000 1.047 458 Y HN 0.600 nan 8.280 nan 0.000 0.522 459 S N -1.849 113.916 115.700 0.109 0.000 2.998 459 S HA 0.067 4.537 4.470 -0.000 0.000 0.321 459 S C 0.867 175.427 174.600 -0.067 0.000 1.171 459 S CA -0.483 57.770 58.200 0.089 0.000 0.882 459 S CB -0.397 62.878 63.200 0.124 0.000 1.301 459 S HN 0.443 nan 8.310 nan 0.000 0.629 460 W N 1.000 122.317 121.300 0.029 0.000 2.321 460 W HA -0.019 4.641 4.660 -0.000 0.000 0.285 460 W C 0.020 176.531 176.519 -0.013 0.000 1.213 460 W CA 1.262 58.611 57.345 0.008 0.000 1.205 460 W CB -1.278 28.191 29.460 0.016 0.000 1.134 460 W HN 0.550 nan 8.180 nan 0.000 0.549 461 D N 2.404 122.346 120.400 -0.764 0.000 2.402 461 D HA 0.045 4.685 4.640 -0.000 0.000 0.235 461 D C 1.100 177.222 176.300 -0.296 0.000 1.226 461 D CA 0.655 54.318 54.000 -0.561 0.000 0.918 461 D CB 0.762 41.030 40.800 -0.886 0.000 1.043 461 D HN 0.104 nan 8.370 nan 0.000 0.506 462 T N 0.212 114.683 114.554 -0.138 0.000 3.105 462 T HA 0.182 4.532 4.350 -0.000 0.000 0.253 462 T C 1.077 175.694 174.700 -0.139 0.000 1.047 462 T CA -0.571 61.448 62.100 -0.135 0.000 0.944 462 T CB 0.062 68.871 68.868 -0.099 0.000 1.016 462 T HN 0.119 nan 8.240 nan 0.000 0.544 463 M N 1.567 121.100 119.600 -0.112 0.000 2.255 463 M HA 0.449 4.929 4.480 -0.000 0.000 0.336 463 M C 0.363 176.603 176.300 -0.100 0.000 1.135 463 M CA -1.561 53.684 55.300 -0.092 0.000 1.145 463 M CB 1.064 33.638 32.600 -0.043 0.000 1.473 463 M HN 0.246 nan 8.290 nan 0.000 0.462 464 I N 2.399 122.930 120.570 -0.064 0.000 2.710 464 I HA -0.049 4.121 4.170 -0.000 0.000 0.286 464 I C 0.079 176.227 176.117 0.052 0.000 1.181 464 I CA 0.531 61.839 61.300 0.012 0.000 1.430 464 I CB 0.192 38.229 38.000 0.061 0.000 1.367 464 I HN 0.499 nan 8.210 nan 0.000 0.577 465 K N 9.068 129.502 120.400 0.057 0.000 2.347 465 K HA 0.483 4.802 4.320 -0.000 0.000 0.262 465 K C -1.085 175.808 176.600 0.488 0.000 1.052 465 K CA -0.459 55.932 56.287 0.174 0.000 0.946 465 K CB 0.825 33.245 32.500 -0.134 0.000 1.220 465 K HN 0.557 nan 8.250 nan 0.000 0.450 466 L N -1.261 120.317 121.223 0.593 0.000 2.630 466 L HA 0.922 5.262 4.340 -0.000 0.000 0.258 466 L C -0.661 176.398 176.870 0.316 0.000 1.072 466 L CA -0.776 54.383 54.840 0.532 0.000 0.885 466 L CB 2.200 44.628 42.059 0.614 0.000 1.502 466 L HN 0.599 nan 8.230 nan 0.000 0.406 467 G N 0.028 108.981 108.800 0.256 0.000 2.350 467 G HA2 0.210 4.170 3.960 -0.000 0.000 0.304 467 G HA3 0.210 4.170 3.960 -0.000 0.000 0.304 467 G C -2.129 172.827 174.900 0.092 0.000 1.421 467 G CA -0.805 44.382 45.100 0.146 0.000 0.934 467 G HN 0.704 nan 8.290 nan 0.000 0.632 468 D N -0.054 120.447 120.400 0.169 0.000 2.455 468 D HA 0.350 4.990 4.640 -0.000 0.000 0.241 468 D C 0.855 177.096 176.300 -0.097 0.000 1.138 468 D CA 0.167 54.202 54.000 0.058 0.000 0.877 468 D CB 1.672 42.559 40.800 0.146 0.000 1.187 468 D HN 0.287 nan 8.370 nan 0.000 0.451 469 V N 3.215 123.058 119.914 -0.120 0.000 2.583 469 V HA 0.013 4.133 4.120 -0.000 0.000 0.287 469 V C 0.857 176.874 176.094 -0.129 0.000 1.051 469 V CA -0.143 62.059 62.300 -0.163 0.000 1.010 469 V CB 1.419 33.155 31.823 -0.144 0.000 0.988 469 V HN 0.431 nan 8.190 nan 0.000 0.478 470 D N 1.667 121.983 120.400 -0.139 0.000 2.197 470 D HA 0.054 4.694 4.640 -0.000 0.000 0.212 470 D C 0.925 177.168 176.300 -0.094 0.000 0.963 470 D CA 1.056 54.997 54.000 -0.098 0.000 0.864 470 D CB 0.090 40.837 40.800 -0.089 0.000 1.009 470 D HN 0.726 nan 8.370 nan 0.000 0.479 471 T N -1.961 112.525 114.554 -0.113 0.000 2.893 471 T HA 0.503 4.853 4.350 -0.000 0.000 0.293 471 T C 0.964 175.577 174.700 -0.145 0.000 1.027 471 T CA -0.846 61.190 62.100 -0.107 0.000 0.988 471 T CB 2.283 71.102 68.868 -0.081 0.000 1.043 471 T HN -0.207 nan 8.240 nan 0.000 0.461 472 V N 0.381 120.194 119.914 -0.169 0.000 2.331 472 V HA 0.154 4.274 4.120 -0.000 0.000 0.242 472 V C 0.216 176.187 176.094 -0.205 0.000 1.034 472 V CA 1.029 63.174 62.300 -0.258 0.000 1.027 472 V CB -0.407 31.151 31.823 -0.441 0.000 0.667 472 V HN 0.868 nan 8.190 nan 0.000 0.457 473 D N 0.958 121.281 120.400 -0.128 0.000 2.440 473 D HA 0.417 5.057 4.640 -0.000 0.000 0.252 473 D C -2.300 173.980 176.300 -0.032 0.000 1.180 473 D CA -0.996 52.971 54.000 -0.056 0.000 0.894 473 D CB 1.320 42.133 40.800 0.021 0.000 1.111 473 D HN 0.309 nan 8.370 nan 0.000 0.544 474 P HA 0.197 nan 4.420 nan 0.000 0.274 474 P C -0.345 176.901 177.300 -0.090 0.000 1.237 474 P CA -0.799 62.271 63.100 -0.049 0.000 0.793 474 P CB 1.153 32.838 31.700 -0.024 0.000 0.977 475 L N 2.309 123.463 121.223 -0.116 0.000 2.385 475 L HA 0.283 4.623 4.340 -0.000 0.000 0.285 475 L C 0.255 177.009 176.870 -0.193 0.000 1.125 475 L CA -0.183 54.552 54.840 -0.175 0.000 0.890 475 L CB -0.866 41.067 42.059 -0.210 0.000 1.251 475 L HN 0.313 nan 8.230 nan 0.000 0.445 476 R N 3.498 123.885 120.500 -0.189 0.000 2.338 476 R HA 0.695 5.035 4.340 -0.000 0.000 0.317 476 R C -1.602 174.518 176.300 -0.300 0.000 0.968 476 R CA -0.487 55.498 56.100 -0.192 0.000 0.849 476 R CB 1.333 31.562 30.300 -0.118 0.000 1.128 476 R HN 0.364 nan 8.270 nan 0.000 0.448 477 V N 5.933 125.578 119.914 -0.447 0.000 2.376 477 V HA 0.235 4.355 4.120 -0.000 0.000 0.287 477 V C -0.180 175.514 176.094 -0.667 0.000 1.015 477 V CA -0.869 61.010 62.300 -0.703 0.000 0.834 477 V CB 1.319 32.336 31.823 -1.342 0.000 1.001 477 V HN 0.838 nan 8.190 nan 0.000 0.428 478 Q N 3.411 122.983 119.800 -0.380 0.000 3.004 478 Q HA 0.124 4.464 4.340 -0.000 0.000 0.256 478 Q C -0.818 175.053 176.000 -0.214 0.000 1.387 478 Q CA -0.421 55.248 55.803 -0.223 0.000 0.962 478 Q CB -0.303 28.351 28.738 -0.139 0.000 1.676 478 Q HN 0.709 nan 8.270 nan 0.000 0.568 479 W N 2.265 123.504 121.300 -0.102 0.000 2.314 479 W HA 0.009 4.669 4.660 -0.000 0.000 0.339 479 W C 0.656 177.075 176.519 -0.166 0.000 1.293 479 W CA -0.582 56.700 57.345 -0.106 0.000 1.288 479 W CB 0.287 29.699 29.460 -0.081 0.000 1.186 479 W HN 0.297 nan 8.180 nan 0.000 0.566 480 R N 2.520 123.033 120.500 0.022 0.000 2.590 480 R HA 0.034 4.374 4.340 -0.000 0.000 0.274 480 R C -0.129 176.160 176.300 -0.019 0.000 1.061 480 R CA -0.510 55.501 56.100 -0.148 0.000 1.081 480 R CB 0.032 30.175 30.300 -0.262 0.000 0.984 480 R HN 0.358 nan 8.270 nan 0.000 0.448 481 N N 2.319 120.989 118.700 -0.050 0.000 2.895 481 N HA -0.011 4.729 4.740 -0.000 0.000 0.277 481 N C -0.410 175.088 175.510 -0.021 0.000 1.185 481 N CA 0.164 53.201 53.050 -0.022 0.000 1.106 481 N CB -0.050 38.424 38.487 -0.021 0.000 1.422 481 N HN 0.377 nan 8.380 nan 0.000 0.521 482 N N 0.403 119.098 118.700 -0.008 0.000 2.424 482 N HA 0.097 4.837 4.740 -0.000 0.000 0.271 482 N C 0.114 175.617 175.510 -0.011 0.000 0.985 482 N CA -0.218 52.831 53.050 -0.001 0.000 0.921 482 N CB 0.943 39.442 38.487 0.020 0.000 1.149 482 N HN 0.220 nan 8.380 nan 0.000 0.492 483 S N 1.509 117.205 115.700 -0.007 0.000 2.539 483 S HA 0.042 4.512 4.470 -0.000 0.000 0.221 483 S C 1.429 176.048 174.600 0.031 0.000 0.987 483 S CA 0.205 58.413 58.200 0.014 0.000 0.929 483 S CB -0.307 62.898 63.200 0.008 0.000 0.832 483 S HN 0.417 nan 8.310 nan 0.000 0.492 484 V N -1.766 118.130 119.914 -0.031 0.000 3.013 484 V HA 0.474 4.594 4.120 -0.000 0.000 0.238 484 V C 0.654 176.671 176.094 -0.129 0.000 1.161 484 V CA -0.274 61.996 62.300 -0.049 0.000 1.170 484 V CB -0.563 31.185 31.823 -0.125 0.000 0.917 484 V HN 0.294 nan 8.190 nan 0.000 0.478 485 I N 1.754 122.139 120.570 -0.309 0.000 2.638 485 I HA 0.599 4.769 4.170 -0.000 0.000 0.286 485 I C 0.488 176.462 176.117 -0.239 0.000 1.088 485 I CA 1.050 62.124 61.300 -0.377 0.000 1.397 485 I CB 0.976 38.679 38.000 -0.496 0.000 1.414 485 I HN 0.524 nan 8.210 nan 0.000 0.566 486 S N 4.375 119.927 115.700 -0.247 0.000 3.287 486 S HA 0.745 5.215 4.470 -0.000 0.000 0.324 486 S C -1.114 173.374 174.600 -0.186 0.000 1.205 486 S CA -0.563 57.475 58.200 -0.271 0.000 1.020 486 S CB 1.618 64.489 63.200 -0.547 0.000 1.398 486 S HN 0.755 nan 8.310 nan 0.000 0.679 487 R N 0.908 121.276 120.500 -0.219 0.000 2.739 487 R HA 0.552 4.891 4.340 -0.000 0.000 0.271 487 R C -3.486 172.699 176.300 -0.192 0.000 1.010 487 R CA -1.960 54.039 56.100 -0.168 0.000 0.897 487 R CB 0.446 30.652 30.300 -0.156 0.000 1.236 487 R HN 0.462 nan 8.270 nan 0.000 0.466 488 P HA 0.200 nan 4.420 nan 0.000 0.276 488 P C -0.191 177.024 177.300 -0.142 0.000 1.243 488 P CA 0.184 63.200 63.100 -0.139 0.000 0.768 488 P CB 1.133 32.762 31.700 -0.117 0.000 0.856 489 G N 3.081 111.811 108.800 -0.117 0.000 2.940 489 G HA2 0.407 4.367 3.960 -0.000 0.000 0.164 489 G HA3 0.407 4.367 3.960 -0.000 0.000 0.164 489 G C -0.458 174.392 174.900 -0.083 0.000 1.326 489 G CA -0.308 44.727 45.100 -0.108 0.000 1.020 489 G HN 0.505 nan 8.290 nan 0.000 0.586 490 Q N -1.592 118.172 119.800 -0.061 0.000 3.353 490 Q HA 0.319 4.659 4.340 -0.000 0.000 0.302 490 Q C 1.914 177.902 176.000 -0.020 0.000 0.991 490 Q CA -0.041 55.737 55.803 -0.042 0.000 0.827 490 Q CB 0.912 29.622 28.738 -0.047 0.000 1.694 490 Q HN 0.559 nan 8.270 nan 0.000 0.458 491 S N -0.019 115.673 115.700 -0.014 0.000 2.365 491 S HA -0.309 4.161 4.470 -0.000 0.000 0.225 491 S C 1.841 176.442 174.600 0.002 0.000 1.039 491 S CA 2.282 60.478 58.200 -0.007 0.000 1.033 491 S CB -0.208 62.986 63.200 -0.009 0.000 0.887 491 S HN 0.552 nan 8.310 nan 0.000 0.447 492 Q N 0.140 119.946 119.800 0.009 0.000 2.172 492 Q HA 0.138 4.478 4.340 -0.000 0.000 0.200 492 Q C 0.365 176.393 176.000 0.047 0.000 0.964 492 Q CA 1.337 57.154 55.803 0.023 0.000 0.855 492 Q CB -0.086 28.672 28.738 0.034 0.000 0.918 492 Q HN 0.687 nan 8.270 nan 0.000 0.444 493 c N 1.968 120.596 118.600 0.046 0.000 3.370 493 c HA 0.439 5.009 4.570 -0.000 0.000 0.190 493 c C -2.466 171.636 174.090 0.020 0.000 1.647 493 c CA -1.431 54.938 56.329 0.068 0.000 1.277 493 c CB 0.316 42.892 42.510 0.110 0.000 2.037 493 c HN 0.397 nan 8.230 nan 0.000 0.537 494 P HA 0.212 nan 4.420 nan 0.000 0.277 494 P C -0.206 177.080 177.300 -0.023 0.000 1.271 494 P CA -0.107 62.985 63.100 -0.013 0.000 0.795 494 P CB 0.677 32.383 31.700 0.010 0.000 1.101 495 R N -0.371 120.079 120.500 -0.083 0.000 2.547 495 R HA -0.126 4.214 4.340 -0.000 0.000 0.269 495 R C 0.151 176.402 176.300 -0.081 0.000 0.968 495 R CA 0.847 56.804 56.100 -0.238 0.000 1.101 495 R CB -0.837 29.268 30.300 -0.324 0.000 0.898 495 R HN 0.480 nan 8.270 nan 0.000 0.416 496 F N -1.516 118.432 119.950 -0.003 0.000 3.006 496 F HA -0.327 4.200 4.527 0.000 0.000 0.289 496 F C 0.491 176.306 175.800 0.024 0.000 0.772 496 F CA 1.136 59.138 58.000 0.003 0.000 1.162 496 F CB -1.967 37.034 39.000 0.001 0.000 1.382 496 F HN 0.641 nan 8.300 nan 0.000 0.406 497 N N 0.264 119.054 118.700 0.149 0.000 2.442 497 N HA 0.407 5.147 4.740 -0.000 0.000 0.265 497 N C 0.738 176.358 175.510 0.183 0.000 1.138 497 N CA 0.058 53.201 53.050 0.155 0.000 0.956 497 N CB 0.778 39.346 38.487 0.136 0.000 1.067 497 N HN 0.055 nan 8.380 nan 0.000 0.474 498 V N 1.982 122.020 119.914 0.207 0.000 3.635 498 V HA 0.153 4.273 4.120 -0.000 0.000 0.266 498 V C 0.366 176.676 176.094 0.361 0.000 1.316 498 V CA -0.200 62.257 62.300 0.263 0.000 1.060 498 V CB -0.033 31.898 31.823 0.181 0.000 0.820 498 V HN 0.691 nan 8.190 nan 0.000 0.447 499 c N 3.105 121.836 118.600 0.218 0.000 2.499 499 c HA 0.401 4.971 4.570 -0.000 0.000 0.386 499 c C -2.058 171.951 174.090 -0.135 0.000 1.293 499 c CA -1.214 55.142 56.329 0.045 0.000 1.884 499 c CB 0.305 42.840 42.510 0.042 0.000 2.509 499 c HN 0.284 nan 8.230 nan 0.000 0.566 500 P HA 0.028 nan 4.420 nan 0.000 0.261 500 P C -0.323 176.629 177.300 -0.580 0.000 1.165 500 P CA 1.085 63.355 63.100 -1.382 0.000 0.759 500 P CB 0.391 31.422 31.700 -1.115 0.000 0.772 501 E N 1.450 121.401 120.200 -0.415 0.000 2.390 501 E HA 0.253 4.603 4.350 -0.000 0.000 0.277 501 E C -0.986 175.649 176.600 0.058 0.000 0.939 501 E CA -0.932 55.426 56.400 -0.070 0.000 0.769 501 E CB 1.555 31.289 29.700 0.056 0.000 1.251 501 E HN -0.071 nan 8.360 nan 0.000 0.450 502 V N 1.775 121.723 119.914 0.057 0.000 2.313 502 V HA 0.214 4.334 4.120 -0.000 0.000 0.252 502 V C 0.200 176.377 176.094 0.137 0.000 1.112 502 V CA -0.265 62.095 62.300 0.101 0.000 0.984 502 V CB -0.813 31.048 31.823 0.064 0.000 1.157 502 V HN 0.755 nan 8.190 nan 0.000 0.493 503 c N 2.524 121.247 118.600 0.205 0.000 3.239 503 c HA 0.838 5.408 4.570 -0.000 0.000 0.317 503 c C -1.329 172.954 174.090 0.322 0.000 1.310 503 c CA -1.069 55.389 56.329 0.215 0.000 1.371 503 c CB 1.419 44.034 42.510 0.175 0.000 1.714 503 c HN 0.836 nan 8.230 nan 0.000 0.473 504 W N 3.445 124.795 121.300 0.085 0.000 2.538 504 W HA 0.632 5.292 4.660 -0.000 0.000 0.291 504 W C -0.901 175.681 176.519 0.105 0.000 1.020 504 W CA -0.450 56.957 57.345 0.104 0.000 1.375 504 W CB 0.584 30.104 29.460 0.100 0.000 1.247 504 W HN 1.024 nan 8.180 nan 0.000 0.377 505 E N 4.514 124.662 120.200 -0.086 0.000 2.378 505 E HA 0.729 5.079 4.350 -0.000 0.000 0.283 505 E C -0.370 176.067 176.600 -0.272 0.000 0.979 505 E CA -0.798 55.453 56.400 -0.249 0.000 0.795 505 E CB 1.637 31.255 29.700 -0.136 0.000 1.221 505 E HN 0.643 nan 8.360 nan 0.000 0.428 506 G N 0.818 109.376 108.800 -0.403 0.000 2.356 506 G HA2 0.412 4.372 3.960 -0.000 0.000 0.288 506 G HA3 0.412 4.372 3.960 -0.000 0.000 0.288 506 G C -1.065 173.492 174.900 -0.571 0.000 1.302 506 G CA -0.122 44.674 45.100 -0.507 0.000 0.887 506 G HN 1.089 nan 8.290 nan 0.000 0.521 507 T N -2.627 111.638 114.554 -0.482 0.000 2.900 507 T HA 0.637 4.987 4.350 -0.000 0.000 0.303 507 T C -1.109 173.566 174.700 -0.041 0.000 1.142 507 T CA -0.568 61.401 62.100 -0.217 0.000 1.007 507 T CB 2.009 70.825 68.868 -0.086 0.000 1.156 507 T HN 1.541 nan 8.240 nan 0.000 0.490 508 Y N 2.483 122.837 120.300 0.090 0.000 2.359 508 Y HA 0.545 5.095 4.550 0.000 0.000 0.334 508 Y C -0.172 175.822 175.900 0.157 0.000 1.058 508 Y CA -0.263 57.979 58.100 0.236 0.000 1.244 508 Y CB 0.611 39.238 38.460 0.278 0.000 1.187 508 Y HN 0.738 nan 8.280 nan 0.000 0.510 509 N N 6.257 124.766 118.700 -0.318 0.000 2.701 509 N HA 0.043 4.782 4.740 -0.000 0.000 0.258 509 N C -1.911 173.229 175.510 -0.617 0.000 1.262 509 N CA -0.566 52.302 53.050 -0.303 0.000 0.780 509 N CB 0.814 39.255 38.487 -0.076 0.000 1.380 509 N HN 0.763 nan 8.380 nan 0.000 0.548 510 D N 0.897 120.662 120.400 -1.059 0.000 2.329 510 D HA 0.584 5.224 4.640 -0.000 0.000 0.246 510 D C -0.080 175.911 176.300 -0.515 0.000 1.111 510 D CA -0.393 52.803 54.000 -1.340 0.000 0.941 510 D CB 1.299 41.382 40.800 -1.195 0.000 1.169 510 D HN 0.321 nan 8.370 nan 0.000 0.441 511 A N 0.181 122.794 122.820 -0.344 0.000 2.392 511 A HA 0.745 5.065 4.320 -0.000 0.000 0.283 511 A C -1.470 176.081 177.584 -0.056 0.000 1.197 511 A CA -0.851 51.133 52.037 -0.089 0.000 0.895 511 A CB 1.022 20.116 19.000 0.157 0.000 1.400 511 A HN 0.526 nan 8.150 nan 0.000 0.461 512 F N -0.638 119.175 119.950 -0.228 0.000 2.561 512 F HA 0.541 5.068 4.527 -0.000 0.000 0.313 512 F C -0.865 174.835 175.800 -0.167 0.000 1.126 512 F CA -0.710 57.179 58.000 -0.185 0.000 0.918 512 F CB 1.860 40.731 39.000 -0.214 0.000 1.199 512 F HN 0.456 nan 8.300 nan 0.000 0.444 513 L N 7.229 128.168 121.223 -0.472 0.000 2.369 513 L HA 0.307 4.647 4.340 -0.000 0.000 0.279 513 L C 0.691 177.423 176.870 -0.229 0.000 1.108 513 L CA 0.501 55.017 54.840 -0.539 0.000 0.852 513 L CB 0.383 41.945 42.059 -0.828 0.000 1.169 513 L HN 0.677 nan 8.230 nan 0.000 0.452 514 I N -0.382 120.097 120.570 -0.151 0.000 4.139 514 I HA 0.485 4.655 4.170 -0.000 0.000 0.335 514 I C -0.496 175.564 176.117 -0.095 0.000 1.327 514 I CA -0.077 61.215 61.300 -0.013 0.000 1.112 514 I CB 0.534 38.538 38.000 0.008 0.000 1.058 514 I HN 0.534 nan 8.210 nan 0.000 0.396 515 D N 1.118 121.396 120.400 -0.203 0.000 2.333 515 D HA 0.173 4.813 4.640 -0.000 0.000 0.225 515 D C 0.654 176.808 176.300 -0.243 0.000 1.345 515 D CA -0.418 53.487 54.000 -0.159 0.000 0.971 515 D CB 1.340 42.089 40.800 -0.085 0.000 1.451 515 D HN 0.110 nan 8.370 nan 0.000 0.561 516 R N 3.487 123.843 120.500 -0.240 0.000 2.073 516 R HA 0.068 4.408 4.340 -0.000 0.000 0.229 516 R C 1.482 177.780 176.300 -0.004 0.000 1.120 516 R CA 0.686 56.638 56.100 -0.247 0.000 0.967 516 R CB -0.024 30.180 30.300 -0.160 0.000 0.862 516 R HN 0.508 nan 8.270 nan 0.000 0.436 517 L N 0.968 122.194 121.223 0.005 0.000 2.051 517 L HA -0.219 4.121 4.340 -0.000 0.000 0.214 517 L C 0.944 177.864 176.870 0.084 0.000 1.076 517 L CA 1.469 56.338 54.840 0.049 0.000 0.758 517 L CB -0.336 41.739 42.059 0.027 0.000 0.890 517 L HN 0.378 nan 8.230 nan 0.000 0.433 518 N N -2.040 116.704 118.700 0.074 0.000 2.275 518 N HA -0.007 4.733 4.740 -0.000 0.000 0.236 518 N C -0.417 175.205 175.510 0.186 0.000 1.154 518 N CA -0.192 52.924 53.050 0.110 0.000 0.866 518 N CB 0.295 38.826 38.487 0.073 0.000 1.093 518 N HN 0.248 nan 8.380 nan 0.000 0.515 519 W N 1.990 123.290 121.300 -0.000 0.000 7.467 519 W HA -0.236 4.424 4.660 -0.000 0.000 0.416 519 W C -0.460 176.047 176.519 -0.020 0.000 1.623 519 W CA 0.155 57.496 57.345 -0.006 0.000 1.204 519 W CB -1.338 28.128 29.460 0.010 0.000 2.836 519 W HN -0.216 nan 8.180 nan 0.000 1.656 520 V N 1.696 121.590 119.914 -0.033 0.000 2.465 520 V HA 0.518 4.638 4.120 -0.000 0.000 0.279 520 V C 0.761 176.678 176.094 -0.295 0.000 1.045 520 V CA -0.588 61.653 62.300 -0.099 0.000 0.938 520 V CB 1.436 33.214 31.823 -0.075 0.000 0.986 520 V HN 0.082 nan 8.190 nan 0.000 0.467 521 S N 1.871 117.298 115.700 -0.454 0.000 2.806 521 S HA 1.000 5.470 4.470 -0.000 0.000 0.315 521 S C -0.136 173.982 174.600 -0.804 0.000 1.127 521 S CA -0.114 57.735 58.200 -0.586 0.000 0.918 521 S CB 2.044 64.927 63.200 -0.528 0.000 1.240 521 S HN 1.256 nan 8.310 nan 0.000 0.552 522 A N -0.687 121.752 122.820 -0.635 0.000 2.586 522 A HA 0.957 5.277 4.320 -0.000 0.000 0.290 522 A C -0.426 176.850 177.584 -0.514 0.000 1.086 522 A CA -0.144 51.470 52.037 -0.706 0.000 0.665 522 A CB 1.098 19.791 19.000 -0.512 0.000 1.279 522 A HN 1.650 nan 8.150 nan 0.000 0.423 523 G N -1.656 106.678 108.800 -0.777 0.000 2.321 523 G HA2 0.587 4.547 3.960 -0.000 0.000 0.298 523 G HA3 0.587 4.547 3.960 -0.000 0.000 0.298 523 G C -1.738 172.887 174.900 -0.459 0.000 1.385 523 G CA 0.054 44.838 45.100 -0.527 0.000 0.856 523 G HN 1.514 nan 8.290 nan 0.000 0.584 524 V N 1.150 120.988 119.914 -0.127 0.000 2.407 524 V HA 0.611 4.731 4.120 -0.000 0.000 0.278 524 V C -0.269 175.879 176.094 0.089 0.000 1.037 524 V CA -0.478 61.847 62.300 0.040 0.000 0.900 524 V CB 0.484 32.368 31.823 0.102 0.000 0.983 524 V HN 0.926 nan 8.190 nan 0.000 0.459 525 Y N 4.222 124.480 120.300 -0.071 0.000 2.393 525 Y HA 0.785 5.335 4.550 -0.000 0.000 0.341 525 Y C -0.730 175.133 175.900 -0.062 0.000 0.988 525 Y CA -1.460 56.593 58.100 -0.078 0.000 1.078 525 Y CB 1.328 39.725 38.460 -0.105 0.000 1.203 525 Y HN 0.443 nan 8.280 nan 0.000 0.453 526 L N 4.773 125.801 121.223 -0.324 0.000 2.315 526 L HA 0.214 4.554 4.340 -0.000 0.000 0.283 526 L C 0.089 176.619 176.870 -0.567 0.000 1.089 526 L CA -0.039 54.565 54.840 -0.393 0.000 0.833 526 L CB 0.484 42.429 42.059 -0.189 0.000 1.170 526 L HN 0.803 nan 8.230 nan 0.000 0.442 527 N N 2.651 120.920 118.700 -0.718 0.000 2.968 527 N HA 0.113 4.853 4.740 -0.000 0.000 0.271 527 N C -0.676 174.721 175.510 -0.188 0.000 1.174 527 N CA -0.145 52.637 53.050 -0.446 0.000 1.096 527 N CB 0.381 38.650 38.487 -0.364 0.000 1.403 527 N HN 0.565 nan 8.380 nan 0.000 0.522 528 S N 2.091 117.705 115.700 -0.142 0.000 2.562 528 S HA 0.231 4.701 4.470 -0.000 0.000 0.274 528 S C 0.254 174.811 174.600 -0.072 0.000 1.160 528 S CA -0.797 57.352 58.200 -0.085 0.000 0.933 528 S CB 1.042 64.186 63.200 -0.095 0.000 1.100 528 S HN 0.455 nan 8.310 nan 0.000 0.468 529 N N 2.871 121.553 118.700 -0.030 0.000 2.058 529 N HA -0.008 4.732 4.740 -0.000 0.000 0.191 529 N C 1.015 176.497 175.510 -0.047 0.000 1.037 529 N CA 1.686 54.723 53.050 -0.022 0.000 0.848 529 N CB -0.037 38.467 38.487 0.028 0.000 1.021 529 N HN 0.768 nan 8.380 nan 0.000 0.422 530 Q N -1.106 118.669 119.800 -0.042 0.000 2.086 530 Q HA 0.215 4.555 4.340 -0.000 0.000 0.220 530 Q C -0.859 175.110 176.000 -0.052 0.000 0.792 530 Q CA -0.096 55.678 55.803 -0.047 0.000 1.062 530 Q CB 1.287 30.006 28.738 -0.031 0.000 1.198 530 Q HN 0.249 nan 8.270 nan 0.000 0.466 531 T N -2.801 111.718 114.554 -0.057 0.000 2.906 531 T HA 0.665 5.015 4.350 -0.000 0.000 0.295 531 T C -0.204 174.457 174.700 -0.065 0.000 1.061 531 T CA -0.953 61.115 62.100 -0.054 0.000 1.000 531 T CB 1.932 70.773 68.868 -0.046 0.000 1.103 531 T HN 0.052 nan 8.240 nan 0.000 0.486 532 A N 2.129 124.919 122.820 -0.050 0.000 2.981 532 A HA 0.483 4.803 4.320 -0.000 0.000 0.280 532 A C 0.335 177.887 177.584 -0.054 0.000 1.797 532 A CA -0.086 51.926 52.037 -0.042 0.000 1.456 532 A CB -0.807 18.190 19.000 -0.005 0.000 1.057 532 A HN 0.762 nan 8.150 nan 0.000 0.602 533 E N 0.254 120.405 120.200 -0.082 0.000 2.433 533 E HA 0.294 4.644 4.350 -0.000 0.000 0.278 533 E C -0.614 175.909 176.600 -0.128 0.000 0.976 533 E CA -1.133 55.210 56.400 -0.096 0.000 0.793 533 E CB 1.186 30.832 29.700 -0.090 0.000 1.311 533 E HN 0.407 nan 8.360 nan 0.000 0.460 534 N N 0.914 119.539 118.700 -0.124 0.000 2.783 534 N HA -0.092 4.648 4.740 -0.000 0.000 0.247 534 N C -2.685 172.699 175.510 -0.209 0.000 1.089 534 N CA 0.155 53.116 53.050 -0.148 0.000 0.690 534 N CB -0.820 37.577 38.487 -0.150 0.000 0.991 534 N HN 0.196 nan 8.380 nan 0.000 0.552 535 P HA 0.065 nan 4.420 nan 0.000 0.261 535 P C -0.499 176.713 177.300 -0.146 0.000 1.183 535 P CA 0.296 63.294 63.100 -0.170 0.000 0.761 535 P CB 0.752 32.389 31.700 -0.104 0.000 0.785 536 V N 5.536 125.373 119.914 -0.127 0.000 2.569 536 V HA 0.231 4.351 4.120 -0.000 0.000 0.301 536 V C -0.107 176.160 176.094 0.287 0.000 1.044 536 V CA -0.779 61.570 62.300 0.081 0.000 0.874 536 V CB 1.548 33.475 31.823 0.173 0.000 1.002 536 V HN 0.391 nan 8.190 nan 0.000 0.424 537 F N 4.324 124.311 119.950 0.062 0.000 2.543 537 F HA 0.527 5.054 4.527 -0.000 0.000 0.375 537 F C 0.615 176.462 175.800 0.080 0.000 1.075 537 F CA 0.251 58.286 58.000 0.058 0.000 1.225 537 F CB 0.586 39.573 39.000 -0.022 0.000 1.099 537 F HN 0.604 nan 8.300 nan 0.000 0.561 538 A N 6.190 128.835 122.820 -0.291 0.000 2.335 538 A HA 0.680 5.000 4.320 -0.000 0.000 0.304 538 A C -1.499 175.913 177.584 -0.287 0.000 1.118 538 A CA -0.668 51.274 52.037 -0.158 0.000 0.757 538 A CB 1.062 19.983 19.000 -0.131 0.000 1.188 538 A HN 0.532 nan 8.150 nan 0.000 0.460 539 V N 3.638 123.360 119.914 -0.319 0.000 2.370 539 V HA 0.768 4.888 4.120 -0.000 0.000 0.283 539 V C -0.458 175.431 176.094 -0.341 0.000 1.023 539 V CA -0.191 61.794 62.300 -0.526 0.000 0.857 539 V CB 0.101 31.399 31.823 -0.875 0.000 0.985 539 V HN 0.969 nan 8.190 nan 0.000 0.443 540 F N 2.573 122.376 119.950 -0.246 0.000 2.817 540 F HA 0.828 5.355 4.527 -0.000 0.000 0.317 540 F C -1.090 174.696 175.800 -0.024 0.000 1.168 540 F CA -1.386 56.533 58.000 -0.135 0.000 0.911 540 F CB 1.844 40.752 39.000 -0.154 0.000 1.337 540 F HN 0.445 nan 8.300 nan 0.000 0.464 541 K N 0.016 120.667 120.400 0.419 0.000 2.439 541 K HA 0.333 4.653 4.320 -0.000 0.000 0.260 541 K C -0.046 176.739 176.600 0.309 0.000 1.032 541 K CA -0.456 56.034 56.287 0.338 0.000 0.882 541 K CB 1.955 34.571 32.500 0.193 0.000 1.420 541 K HN 0.717 nan 8.250 nan 0.000 0.455 542 D N 0.673 121.207 120.400 0.223 0.000 2.154 542 D HA -0.200 4.440 4.640 -0.000 0.000 0.190 542 D C 0.109 176.445 176.300 0.060 0.000 1.003 542 D CA 1.658 55.725 54.000 0.112 0.000 0.849 542 D CB 0.070 40.894 40.800 0.041 0.000 0.942 542 D HN 0.379 nan 8.370 nan 0.000 0.446 543 N N 0.439 119.175 118.700 0.060 0.000 2.553 543 N HA 0.176 4.916 4.740 -0.000 0.000 0.298 543 N C -1.010 174.522 175.510 0.035 0.000 1.596 543 N CA 0.007 53.076 53.050 0.031 0.000 0.910 543 N CB 1.599 40.099 38.487 0.022 0.000 1.336 543 N HN 0.276 nan 8.380 nan 0.000 0.497 544 E N 0.556 120.785 120.200 0.049 0.000 3.287 544 E HA 0.153 4.503 4.350 -0.000 0.000 0.355 544 E C -1.485 175.164 176.600 0.081 0.000 1.027 544 E CA -0.321 56.111 56.400 0.055 0.000 0.840 544 E CB 1.190 30.931 29.700 0.069 0.000 1.273 544 E HN 0.064 nan 8.360 nan 0.000 0.458 545 I N 6.394 126.989 120.570 0.042 0.000 2.312 545 I HA 0.130 4.300 4.170 -0.000 0.000 0.291 545 I C 1.354 177.510 176.117 0.065 0.000 1.031 545 I CA -0.152 61.177 61.300 0.050 0.000 1.293 545 I CB 0.766 38.743 38.000 -0.038 0.000 1.403 545 I HN 0.628 nan 8.210 nan 0.000 0.484 546 L N 7.469 128.731 121.223 0.065 0.000 2.007 546 L HA -0.010 4.330 4.340 -0.000 0.000 0.205 546 L C -0.038 177.066 176.870 0.390 0.000 1.073 546 L CA 1.063 56.033 54.840 0.216 0.000 0.744 546 L CB -0.479 41.761 42.059 0.302 0.000 0.898 546 L HN 0.544 nan 8.230 nan 0.000 0.435 547 Y N -2.774 117.553 120.300 0.045 0.000 2.571 547 Y HA 0.697 5.247 4.550 -0.000 0.000 0.341 547 Y C -0.555 175.388 175.900 0.072 0.000 1.076 547 Y CA -1.286 56.843 58.100 0.048 0.000 1.029 547 Y CB 1.315 39.798 38.460 0.038 0.000 1.308 547 Y HN -0.142 nan 8.280 nan 0.000 0.461 548 Q N 0.408 120.300 119.800 0.153 0.000 2.892 548 Q HA 0.898 5.238 4.340 -0.000 0.000 0.307 548 Q C -1.923 174.187 176.000 0.183 0.000 1.039 548 Q CA -1.367 54.514 55.803 0.130 0.000 0.792 548 Q CB 3.377 32.184 28.738 0.115 0.000 1.504 548 Q HN 0.622 nan 8.270 nan 0.000 0.487 549 V N 1.880 121.913 119.914 0.198 0.000 2.851 549 V HA 0.302 4.422 4.120 -0.000 0.000 0.290 549 V C -2.677 173.487 176.094 0.116 0.000 1.330 549 V CA -1.196 61.189 62.300 0.142 0.000 0.944 549 V CB 1.917 33.809 31.823 0.114 0.000 1.090 549 V HN 0.664 nan 8.190 nan 0.000 0.436 550 P HA 0.350 nan 4.420 nan 0.000 0.282 550 P C 0.423 177.707 177.300 -0.027 0.000 1.274 550 P CA -0.057 63.057 63.100 0.023 0.000 0.770 550 P CB 1.476 33.185 31.700 0.016 0.000 0.867 551 L N 2.067 123.238 121.223 -0.088 0.000 2.418 551 L HA 0.168 4.508 4.340 -0.000 0.000 0.218 551 L C 1.279 178.076 176.870 -0.122 0.000 1.125 551 L CA 0.883 55.608 54.840 -0.192 0.000 0.835 551 L CB -0.113 41.675 42.059 -0.452 0.000 0.953 551 L HN 0.471 nan 8.230 nan 0.000 0.454 552 A N -1.486 121.289 122.820 -0.076 0.000 2.524 552 A HA 0.476 4.796 4.320 -0.000 0.000 0.289 552 A C -0.474 177.091 177.584 -0.032 0.000 1.248 552 A CA -0.693 51.322 52.037 -0.037 0.000 0.712 552 A CB 0.623 19.604 19.000 -0.032 0.000 1.312 552 A HN 0.012 nan 8.150 nan 0.000 0.441 553 E N -0.567 119.617 120.200 -0.026 0.000 2.494 553 E HA -0.030 4.320 4.350 -0.000 0.000 0.262 553 E C -0.244 176.331 176.600 -0.041 0.000 1.294 553 E CA 0.289 56.671 56.400 -0.029 0.000 1.062 553 E CB 0.226 29.909 29.700 -0.029 0.000 0.982 553 E HN 0.554 nan 8.360 nan 0.000 0.495 554 D N 0.260 120.638 120.400 -0.037 0.000 2.224 554 D HA -0.112 4.528 4.640 -0.000 0.000 0.205 554 D C 0.573 176.840 176.300 -0.055 0.000 0.965 554 D CA 1.184 55.160 54.000 -0.041 0.000 0.852 554 D CB -0.053 40.730 40.800 -0.028 0.000 0.947 554 D HN 0.363 nan 8.370 nan 0.000 0.494 555 D N -1.145 119.219 120.400 -0.059 0.000 2.535 555 D HA 0.005 4.645 4.640 -0.000 0.000 0.229 555 D C -0.210 176.029 176.300 -0.101 0.000 1.238 555 D CA -0.284 53.672 54.000 -0.073 0.000 0.824 555 D CB -0.732 40.031 40.800 -0.062 0.000 1.045 555 D HN -0.042 nan 8.370 nan 0.000 0.500 556 T N -1.121 113.375 114.554 -0.097 0.000 2.884 556 T HA 0.325 4.675 4.350 -0.000 0.000 0.298 556 T C 0.229 174.845 174.700 -0.140 0.000 0.998 556 T CA -0.847 61.181 62.100 -0.120 0.000 1.124 556 T CB 0.739 69.563 68.868 -0.073 0.000 0.931 556 T HN -0.136 nan 8.240 nan 0.000 0.531 557 N N 1.757 120.321 118.700 -0.226 0.000 2.497 557 N HA 0.607 5.347 4.740 -0.000 0.000 0.271 557 N C -0.355 175.128 175.510 -0.044 0.000 1.142 557 N CA -0.343 52.596 53.050 -0.187 0.000 0.965 557 N CB 1.152 39.398 38.487 -0.403 0.000 1.077 557 N HN 1.040 nan 8.380 nan 0.000 0.462 558 A N 0.972 123.790 122.820 -0.004 0.000 2.593 558 A HA 0.682 5.002 4.320 -0.000 0.000 0.290 558 A C -0.073 177.535 177.584 0.041 0.000 1.126 558 A CA -0.388 51.675 52.037 0.042 0.000 0.695 558 A CB 1.766 20.773 19.000 0.011 0.000 1.290 558 A HN 0.639 nan 8.150 nan 0.000 0.414 559 Q N -0.256 119.583 119.800 0.065 0.000 1.594 559 Q HA 0.331 4.671 4.340 -0.000 0.000 0.145 559 Q C -0.475 175.581 176.000 0.092 0.000 0.421 559 Q CA -0.080 55.763 55.803 0.066 0.000 0.726 559 Q CB 0.418 29.206 28.738 0.084 0.000 0.772 559 Q HN 0.597 nan 8.270 nan 0.000 0.187 560 K N 2.502 122.979 120.400 0.128 0.000 2.244 560 K HA 0.240 4.560 4.320 -0.000 0.000 0.263 560 K C -0.998 175.731 176.600 0.214 0.000 1.103 560 K CA -0.089 56.314 56.287 0.195 0.000 0.966 560 K CB 0.736 33.341 32.500 0.174 0.000 1.429 560 K HN 0.428 nan 8.250 nan 0.000 0.434 561 T N 1.440 116.122 114.554 0.213 0.000 2.909 561 T HA 0.531 4.881 4.350 -0.000 0.000 0.289 561 T C 0.191 175.040 174.700 0.248 0.000 1.005 561 T CA -0.626 61.584 62.100 0.183 0.000 1.084 561 T CB 0.631 69.561 68.868 0.103 0.000 0.975 561 T HN 0.398 nan 8.240 nan 0.000 0.509 562 I N 1.495 122.191 120.570 0.211 0.000 2.865 562 I HA 0.596 4.766 4.170 -0.000 0.000 0.302 562 I C -0.389 175.801 176.117 0.121 0.000 1.140 562 I CA -1.020 60.404 61.300 0.207 0.000 1.021 562 I CB 2.948 41.080 38.000 0.219 0.000 1.233 562 I HN 0.977 nan 8.210 nan 0.000 0.427 563 T N -0.952 113.635 114.554 0.055 0.000 3.071 563 T HA 0.567 4.917 4.350 -0.000 0.000 0.311 563 T C -1.609 173.044 174.700 -0.078 0.000 1.042 563 T CA -0.832 61.282 62.100 0.025 0.000 1.028 563 T CB 1.620 70.504 68.868 0.025 0.000 1.068 563 T HN 0.449 nan 8.240 nan 0.000 0.451 564 D N 2.400 122.689 120.400 -0.186 0.000 2.686 564 D HA 0.452 5.092 4.640 -0.000 0.000 0.249 564 D C -0.365 175.598 176.300 -0.562 0.000 1.260 564 D CA -0.183 53.591 54.000 -0.377 0.000 0.910 564 D CB 1.570 42.368 40.800 -0.004 0.000 1.323 564 D HN 0.686 nan 8.370 nan 0.000 0.561 565 c N 1.897 119.608 118.600 -1.483 0.000 2.401 565 c HA 0.915 5.485 4.570 -0.000 0.000 0.356 565 c C -0.223 173.698 174.090 -0.282 0.000 1.192 565 c CA -0.626 55.170 56.329 -0.889 0.000 2.028 565 c CB 0.271 42.255 42.510 -0.876 0.000 2.344 565 c HN 0.711 nan 8.230 nan 0.000 0.525 566 F N -1.875 118.017 119.950 -0.097 0.000 2.926 566 F HA 0.688 5.215 4.527 0.000 0.000 0.321 566 F C -1.805 174.040 175.800 0.076 0.000 1.168 566 F CA -1.431 56.579 58.000 0.017 0.000 0.890 566 F CB 0.334 39.340 39.000 0.011 0.000 1.357 566 F HN 0.261 nan 8.300 nan 0.000 0.468 567 L N 2.222 123.634 121.223 0.314 0.000 2.309 567 L HA 0.634 4.974 4.340 -0.000 0.000 0.282 567 L C -1.163 175.925 176.870 0.364 0.000 1.036 567 L CA -0.990 53.993 54.840 0.239 0.000 0.806 567 L CB 1.660 43.815 42.059 0.160 0.000 1.220 567 L HN 0.572 nan 8.230 nan 0.000 0.429 568 L N 3.133 124.565 121.223 0.349 0.000 2.333 568 L HA 0.308 4.648 4.340 -0.000 0.000 0.280 568 L C 0.321 177.313 176.870 0.202 0.000 1.004 568 L CA 0.130 55.130 54.840 0.267 0.000 0.820 568 L CB 1.078 43.246 42.059 0.181 0.000 1.247 568 L HN 0.614 nan 8.230 nan 0.000 0.416 569 E N 4.742 125.013 120.200 0.118 0.000 2.257 569 E HA -0.314 4.036 4.350 -0.000 0.000 0.224 569 E C -0.255 176.401 176.600 0.094 0.000 1.286 569 E CA 0.780 57.233 56.400 0.087 0.000 0.716 569 E CB -1.041 28.704 29.700 0.074 0.000 1.159 569 E HN 0.826 nan 8.360 nan 0.000 0.367 570 N N -3.545 115.214 118.700 0.097 0.000 2.999 570 N HA -0.141 4.599 4.740 -0.000 0.000 0.242 570 N C -0.709 174.846 175.510 0.074 0.000 1.016 570 N CA 1.058 54.154 53.050 0.076 0.000 0.894 570 N CB -1.207 37.312 38.487 0.054 0.000 1.113 570 N HN 0.161 nan 8.380 nan 0.000 0.555 571 V N 0.828 120.808 119.914 0.110 0.000 2.925 571 V HA 0.533 4.653 4.120 -0.000 0.000 0.311 571 V C -0.026 176.103 176.094 0.058 0.000 1.104 571 V CA -0.894 61.446 62.300 0.067 0.000 0.954 571 V CB 2.352 34.222 31.823 0.078 0.000 1.022 571 V HN 0.051 nan 8.190 nan 0.000 0.427 572 I N 2.938 123.463 120.570 -0.075 0.000 2.363 572 I HA 0.262 4.432 4.170 -0.000 0.000 0.292 572 I C -0.591 175.366 176.117 -0.267 0.000 1.075 572 I CA 0.559 61.785 61.300 -0.123 0.000 1.333 572 I CB 0.264 38.196 38.000 -0.113 0.000 1.415 572 I HN 0.495 nan 8.210 nan 0.000 0.502 573 W N 5.375 126.438 121.300 -0.394 0.000 2.666 573 W HA 0.616 5.276 4.660 0.000 0.000 0.334 573 W C -0.933 175.139 176.519 -0.745 0.000 1.051 573 W CA -0.312 56.735 57.345 -0.496 0.000 1.224 573 W CB 1.900 31.079 29.460 -0.469 0.000 1.405 573 W HN 0.304 nan 8.180 nan 0.000 0.513 574 c N 5.106 123.594 118.600 -0.186 0.000 2.340 574 c HA 0.471 5.041 4.570 -0.000 0.000 0.323 574 c C 0.078 174.178 174.090 0.017 0.000 1.260 574 c CA -0.856 55.364 56.329 -0.182 0.000 1.464 574 c CB -0.182 42.328 42.510 0.001 0.000 2.156 574 c HN 0.372 nan 8.230 nan 0.000 0.476 575 I N 2.897 123.520 120.570 0.088 0.000 2.581 575 I HA 0.352 4.522 4.170 -0.000 0.000 0.288 575 I C 0.640 176.853 176.117 0.160 0.000 1.047 575 I CA 0.932 62.335 61.300 0.171 0.000 1.374 575 I CB 1.685 39.815 38.000 0.216 0.000 1.423 575 I HN 0.714 nan 8.210 nan 0.000 0.549 576 S N 5.535 121.365 115.700 0.216 0.000 2.677 576 S HA 0.655 5.125 4.470 -0.000 0.000 0.304 576 S C -0.365 174.377 174.600 0.237 0.000 1.108 576 S CA -0.501 57.848 58.200 0.248 0.000 0.944 576 S CB 2.535 65.937 63.200 0.336 0.000 1.127 576 S HN 0.445 nan 8.310 nan 0.000 0.511 577 L N 0.676 122.031 121.223 0.220 0.000 2.558 577 L HA 0.935 5.275 4.340 -0.000 0.000 0.260 577 L C -0.952 176.099 176.870 0.301 0.000 1.130 577 L CA -0.379 54.587 54.840 0.210 0.000 1.049 577 L CB 1.198 43.341 42.059 0.140 0.000 1.758 577 L HN 0.541 nan 8.230 nan 0.000 0.555 578 V N -0.768 119.306 119.914 0.266 0.000 3.218 578 V HA 0.261 4.381 4.120 -0.000 0.000 0.266 578 V C -1.654 174.561 176.094 0.202 0.000 1.831 578 V CA -0.973 61.475 62.300 0.247 0.000 0.997 578 V CB 1.935 33.934 31.823 0.293 0.000 1.324 578 V HN 0.728 nan 8.190 nan 0.000 0.469 579 E N 1.452 121.753 120.200 0.168 0.000 2.145 579 E HA 0.657 5.007 4.350 -0.000 0.000 0.262 579 E C -1.373 175.330 176.600 0.172 0.000 0.883 579 E CA -0.297 56.192 56.400 0.148 0.000 0.748 579 E CB 1.881 31.650 29.700 0.116 0.000 1.140 579 E HN 0.502 nan 8.360 nan 0.000 0.417 580 I N 4.420 125.107 120.570 0.195 0.000 2.646 580 I HA 0.516 4.686 4.170 -0.000 0.000 0.299 580 I C -1.323 174.958 176.117 0.273 0.000 1.036 580 I CA -0.767 60.657 61.300 0.207 0.000 1.074 580 I CB 1.161 39.301 38.000 0.232 0.000 1.258 580 I HN 0.581 nan 8.210 nan 0.000 0.430 581 Y N 4.497 124.824 120.300 0.044 0.000 2.677 581 Y HA 0.500 5.050 4.550 0.000 0.000 0.334 581 Y C -2.228 173.684 175.900 0.020 0.000 1.196 581 Y CA -1.110 57.008 58.100 0.030 0.000 1.059 581 Y CB 1.224 39.695 38.460 0.018 0.000 1.315 581 Y HN 0.375 nan 8.280 nan 0.000 0.455 582 D N 1.389 121.722 120.400 -0.111 0.000 2.350 582 D HA 0.286 4.926 4.640 -0.000 0.000 0.245 582 D C -0.996 175.213 176.300 -0.151 0.000 1.036 582 D CA -0.350 53.534 54.000 -0.193 0.000 0.848 582 D CB 2.615 43.389 40.800 -0.043 0.000 1.307 582 D HN 0.716 nan 8.370 nan 0.000 0.469 583 T N 1.184 115.617 114.554 -0.201 0.000 2.817 583 T HA 0.429 4.779 4.350 -0.000 0.000 0.295 583 T C 1.095 175.802 174.700 0.011 0.000 0.958 583 T CA 0.909 62.965 62.100 -0.072 0.000 1.157 583 T CB 0.806 69.621 68.868 -0.089 0.000 0.898 583 T HN 0.675 nan 8.240 nan 0.000 0.536 584 G N 4.023 112.865 108.800 0.071 0.000 2.391 584 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.204 584 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.204 584 G C -0.256 174.691 174.900 0.078 0.000 1.012 584 G CA -0.633 44.502 45.100 0.058 0.000 0.651 584 G HN 0.645 nan 8.290 nan 0.000 0.494 585 D N 1.638 122.112 120.400 0.123 0.000 2.455 585 D HA 0.529 5.169 4.640 -0.000 0.000 0.241 585 D C 1.411 177.762 176.300 0.086 0.000 1.138 585 D CA 0.754 54.826 54.000 0.119 0.000 0.877 585 D CB 1.391 42.298 40.800 0.178 0.000 1.187 585 D HN 0.156 nan 8.370 nan 0.000 0.451 586 S N 0.359 116.084 115.700 0.042 0.000 2.355 586 S HA -0.006 4.464 4.470 -0.000 0.000 0.210 586 S C 0.815 175.406 174.600 -0.014 0.000 1.035 586 S CA 0.207 58.414 58.200 0.012 0.000 1.011 586 S CB 0.139 63.342 63.200 0.004 0.000 1.000 586 S HN 0.310 nan 8.310 nan 0.000 0.423 587 V N 2.207 122.108 119.914 -0.020 0.000 2.567 587 V HA 0.396 4.516 4.120 -0.000 0.000 0.289 587 V C -0.299 175.761 176.094 -0.057 0.000 1.049 587 V CA -0.268 62.003 62.300 -0.048 0.000 0.969 587 V CB 1.125 32.924 31.823 -0.040 0.000 0.995 587 V HN 0.348 nan 8.190 nan 0.000 0.471 588 I N 5.821 126.324 120.570 -0.112 0.000 2.362 588 I HA 0.647 4.817 4.170 -0.000 0.000 0.289 588 I C 0.022 176.083 176.117 -0.093 0.000 0.994 588 I CA -0.405 60.809 61.300 -0.143 0.000 1.158 588 I CB 1.173 38.977 38.000 -0.325 0.000 1.315 588 I HN 0.791 nan 8.210 nan 0.000 0.451 589 R N 5.172 125.654 120.500 -0.030 0.000 2.663 589 R HA 0.645 4.985 4.340 -0.000 0.000 0.267 589 R C -3.224 173.099 176.300 0.038 0.000 1.038 589 R CA -1.844 54.247 56.100 -0.015 0.000 0.886 589 R CB 0.887 31.169 30.300 -0.030 0.000 1.249 589 R HN 0.098 nan 8.270 nan 0.000 0.463 590 P HA 0.102 nan 4.420 nan 0.000 0.269 590 P C -1.101 176.230 177.300 0.051 0.000 1.215 590 P CA -0.286 62.870 63.100 0.094 0.000 0.780 590 P CB 0.545 32.320 31.700 0.125 0.000 0.898 591 K N 1.058 121.480 120.400 0.037 0.000 2.328 591 K HA 0.549 4.869 4.320 -0.000 0.000 0.246 591 K C -0.778 175.622 176.600 -0.334 0.000 0.955 591 K CA -0.879 55.292 56.287 -0.194 0.000 0.817 591 K CB 1.504 33.837 32.500 -0.279 0.000 1.208 591 K HN 0.350 nan 8.250 nan 0.000 0.432 592 L N 3.098 123.997 121.223 -0.539 0.000 2.295 592 L HA 0.483 4.823 4.340 -0.000 0.000 0.285 592 L C -1.345 175.151 176.870 -0.624 0.000 1.035 592 L CA -0.647 53.957 54.840 -0.394 0.000 0.806 592 L CB 0.602 42.502 42.059 -0.265 0.000 1.214 592 L HN 0.534 nan 8.230 nan 0.000 0.426 593 F N 2.658 122.614 119.950 0.010 0.000 2.496 593 F HA 0.493 5.020 4.527 -0.000 0.000 0.341 593 F C 0.628 176.435 175.800 0.012 0.000 1.134 593 F CA -0.542 57.461 58.000 0.004 0.000 0.968 593 F CB 1.565 40.569 39.000 0.007 0.000 1.205 593 F HN 0.440 nan 8.300 nan 0.000 0.436 594 A N 2.193 125.120 122.820 0.178 0.000 2.346 594 A HA 0.745 5.065 4.320 -0.000 0.000 0.252 594 A C -0.558 177.181 177.584 0.259 0.000 1.089 594 A CA -0.324 51.859 52.037 0.243 0.000 0.797 594 A CB 0.710 19.805 19.000 0.158 0.000 1.047 594 A HN 0.624 nan 8.150 nan 0.000 0.494 595 V N 1.812 121.899 119.914 0.288 0.000 2.719 595 V HA 0.183 4.303 4.120 -0.000 0.000 0.289 595 V C -0.202 175.610 176.094 -0.470 0.000 1.167 595 V CA -0.687 61.514 62.300 -0.165 0.000 0.929 595 V CB 1.635 33.054 31.823 -0.674 0.000 1.050 595 V HN 1.058 nan 8.190 nan 0.000 0.448 596 K N 3.750 123.494 120.400 -1.095 0.000 2.326 596 K HA 0.476 4.796 4.320 -0.000 0.000 0.275 596 K C -0.628 175.596 176.600 -0.626 0.000 1.018 596 K CA -0.371 55.082 56.287 -1.389 0.000 0.962 596 K CB 0.691 32.323 32.500 -1.446 0.000 0.953 596 K HN 0.462 nan 8.250 nan 0.000 0.475 597 I N 6.852 127.134 120.570 -0.479 0.000 2.342 597 I HA 0.228 4.398 4.170 -0.000 0.000 0.291 597 I C -1.972 174.036 176.117 -0.181 0.000 1.010 597 I CA -2.689 58.490 61.300 -0.202 0.000 1.308 597 I CB 0.948 38.878 38.000 -0.117 0.000 1.400 597 I HN 0.607 nan 8.210 nan 0.000 0.488 598 P HA 0.154 nan 4.420 nan 0.000 0.271 598 P C 0.085 177.326 177.300 -0.098 0.000 1.216 598 P CA -0.275 62.752 63.100 -0.121 0.000 0.776 598 P CB 1.099 32.723 31.700 -0.128 0.000 0.881 599 A N 3.909 126.670 122.820 -0.098 0.000 1.825 599 A HA -0.115 4.205 4.320 -0.000 0.000 0.214 599 A C 1.178 178.717 177.584 -0.075 0.000 1.206 599 A CA 1.158 53.152 52.037 -0.072 0.000 0.609 599 A CB -0.861 18.103 19.000 -0.060 0.000 0.851 599 A HN 0.656 nan 8.150 nan 0.000 0.445 600 Q N -1.306 118.444 119.800 -0.082 0.000 2.256 600 Q HA 0.304 4.644 4.340 -0.000 0.000 0.232 600 Q C -0.799 175.122 176.000 -0.131 0.000 0.965 600 Q CA -0.597 55.154 55.803 -0.086 0.000 0.908 600 Q CB 0.993 29.690 28.738 -0.068 0.000 1.209 600 Q HN 0.494 nan 8.270 nan 0.000 0.489 601 c N 2.069 120.588 118.600 -0.135 0.000 2.865 601 c HA 0.329 4.899 4.570 -0.000 0.000 0.545 601 c C 0.450 174.461 174.090 -0.132 0.000 1.154 601 c CA -0.273 55.945 56.329 -0.185 0.000 1.375 601 c CB -1.851 40.552 42.510 -0.178 0.000 1.627 601 c HN 0.513 nan 8.230 nan 0.000 0.623 602 S N 0.000 115.630 115.700 -0.116 0.000 2.498 602 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 602 S CA 0.000 58.151 58.200 -0.081 0.000 1.107 602 S CB 0.000 63.162 63.200 -0.063 0.000 0.593 602 S HN 0.000 nan 8.310 nan 0.000 0.517