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 1qas_1_B DATA FIRST_RESID 206 DATA SEQUENCE KMLTQRAEID RAFEEAAGSA ETLSVERLVT FLQHQQREEE AGPALALSLI DATA SEQUENCE ERYEPSETAK AQRQMTKDGF LMYLLSADGN AFSLAHRRVY QDMDQPLSHY DATA SEQUENCE LVSSSHNTYL LEDQLTGPSS TEAYIRALCK GCRCLELDCW DGPNQEPIIY DATA SEQUENCE HGYTFTSKIL FCDVLRAIRD YAFKASPYPV ILSLENHCSL EQQRVMARHL DATA SEQUENCE RAILGPILLD QPLDGVTTSL PSPEQLKGKI LLKGKKLGGL XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXK LKLVPELSDM IIYCKSVHFG DATA SEQUENCE GFSSPXXXGQ AFYEMASFSE SRALRLLQES GNGFVRHNVS CLSRIYPAGW DATA SEQUENCE RTDSSNYSPV EMWNGGCQIV ALNFQTPGPE MDVYLGCFQD NGGCGYVLKP DATA SEQUENCE AFLRDPNTTF NSRALTQGPW WRPERLRVRI ISGQQLPKVN XXXXXIVDPK DATA SEQUENCE VIVEIHGVGR DTGSRQTAVI TNNGFNPRWD MEFEFEVTVP DLALVRFMVE DATA SEQUENCE DYDSSSKNDF IGQSTIPWNS LKQGYRHVHL LSKNGDQHPS ATLFVKISIQ DATA SEQUENCE D 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 206 K HA 0.000 nan 4.320 nan 0.000 0.191 206 K C 0.000 176.609 176.600 0.014 0.000 0.988 206 K CA 0.000 56.294 56.287 0.013 0.000 0.838 206 K CB 0.000 32.498 32.500 -0.002 0.000 1.064 207 M N 0.267 119.873 119.600 0.011 0.000 2.319 207 M HA -0.023 4.456 4.480 -0.001 0.000 0.265 207 M C 1.779 178.094 176.300 0.025 0.000 1.068 207 M CA 1.318 56.623 55.300 0.009 0.000 1.118 207 M CB -0.102 32.498 32.600 -0.001 0.000 1.395 207 M HN 0.037 nan 8.290 nan 0.000 0.435 208 L N -0.503 120.746 121.223 0.044 0.000 2.416 208 L HA 0.098 4.438 4.340 -0.001 0.000 0.216 208 L C 1.811 178.799 176.870 0.197 0.000 1.098 208 L CA 1.360 56.255 54.840 0.092 0.000 0.840 208 L CB -0.274 41.801 42.059 0.026 0.000 0.981 208 L HN 0.064 nan 8.230 nan 0.000 0.462 209 T N 0.252 114.888 114.554 0.136 0.000 3.163 209 T HA -0.002 4.348 4.350 -0.001 0.000 0.260 209 T C 0.630 175.340 174.700 0.016 0.000 1.156 209 T CA 0.223 62.378 62.100 0.092 0.000 1.072 209 T CB -0.492 68.406 68.868 0.050 0.000 0.937 209 T HN 0.418 nan 8.240 nan 0.000 0.528 210 Q N 1.683 121.497 119.800 0.024 0.000 2.327 210 Q HA 0.374 4.714 4.340 -0.001 0.000 0.254 210 Q C -0.012 175.977 176.000 -0.019 0.000 0.952 210 Q CA 0.038 55.835 55.803 -0.009 0.000 0.884 210 Q CB 0.794 29.531 28.738 -0.002 0.000 1.224 210 Q HN 0.294 nan 8.270 nan 0.000 0.422 211 R N 1.411 121.882 120.500 -0.048 0.000 2.468 211 R HA 0.359 4.699 4.340 -0.001 0.000 0.302 211 R C 0.078 176.353 176.300 -0.041 0.000 1.041 211 R CA -0.357 55.708 56.100 -0.059 0.000 0.899 211 R CB 1.207 31.438 30.300 -0.115 0.000 1.167 211 R HN 0.776 nan 8.270 nan 0.000 0.483 212 A N 3.120 125.931 122.820 -0.015 0.000 1.927 212 A HA -0.272 4.047 4.320 -0.001 0.000 0.220 212 A C 1.998 179.593 177.584 0.019 0.000 1.185 212 A CA 2.008 54.047 52.037 0.004 0.000 0.639 212 A CB -0.270 18.737 19.000 0.011 0.000 0.820 212 A HN 0.845 nan 8.150 nan 0.000 0.451 213 E N 0.014 120.229 120.200 0.026 0.000 2.204 213 E HA -0.164 4.186 4.350 -0.001 0.000 0.194 213 E C 1.753 178.385 176.600 0.054 0.000 0.989 213 E CA 1.248 57.700 56.400 0.085 0.000 0.824 213 E CB -0.449 29.354 29.700 0.172 0.000 0.756 213 E HN 0.523 nan 8.360 nan 0.000 0.477 214 I N 2.120 122.656 120.570 -0.057 0.000 2.406 214 I HA -0.141 4.029 4.170 -0.001 0.000 0.249 214 I C 1.391 177.546 176.117 0.063 0.000 1.122 214 I CA 1.058 62.325 61.300 -0.055 0.000 1.431 214 I CB -0.973 36.947 38.000 -0.133 0.000 1.087 214 I HN 0.006 nan 8.210 nan 0.000 0.424 215 D N 0.554 120.970 120.400 0.027 0.000 2.117 215 D HA -0.187 4.453 4.640 -0.001 0.000 0.198 215 D C 2.254 178.590 176.300 0.060 0.000 0.982 215 D CA 0.937 54.965 54.000 0.046 0.000 0.828 215 D CB -0.133 40.679 40.800 0.020 0.000 0.967 215 D HN 0.086 nan 8.370 nan 0.000 0.464 216 R N 1.206 121.738 120.500 0.055 0.000 2.073 216 R HA 0.026 4.366 4.340 -0.001 0.000 0.234 216 R C 1.867 178.193 176.300 0.043 0.000 1.134 216 R CA 1.828 57.961 56.100 0.055 0.000 0.952 216 R CB -0.825 29.524 30.300 0.081 0.000 0.850 216 R HN 0.080 nan 8.270 nan 0.000 0.433 217 A N -0.357 122.495 122.820 0.053 0.000 1.930 217 A HA -0.087 4.233 4.320 -0.001 0.000 0.217 217 A C 2.135 179.670 177.584 -0.082 0.000 1.175 217 A CA 1.309 53.336 52.037 -0.017 0.000 0.627 217 A CB -0.827 18.109 19.000 -0.106 0.000 0.815 217 A HN 0.462 nan 8.150 nan 0.000 0.443 218 F N 0.976 120.722 119.950 -0.340 0.000 2.084 218 F HA -0.119 4.408 4.527 -0.001 0.000 0.296 218 F C 2.178 177.687 175.800 -0.485 0.000 1.111 218 F CA 2.149 59.650 58.000 -0.831 0.000 1.224 218 F CB -0.529 38.038 39.000 -0.722 0.000 0.991 218 F HN 0.349 nan 8.300 nan 0.000 0.471 219 E N -0.136 119.909 120.200 -0.258 0.000 2.118 219 E HA -0.281 4.068 4.350 -0.001 0.000 0.195 219 E C 2.105 178.568 176.600 -0.228 0.000 0.992 219 E CA 1.357 57.605 56.400 -0.254 0.000 0.804 219 E CB -0.384 29.266 29.700 -0.083 0.000 0.741 219 E HN 0.586 nan 8.360 nan 0.000 0.458 220 E N 0.180 120.293 120.200 -0.144 0.000 2.265 220 E HA -0.187 4.162 4.350 -0.001 0.000 0.196 220 E C 1.619 178.172 176.600 -0.079 0.000 0.996 220 E CA 1.051 57.421 56.400 -0.051 0.000 0.832 220 E CB 0.058 29.790 29.700 0.053 0.000 0.756 220 E HN 0.257 nan 8.360 nan 0.000 0.491 221 A N 0.105 122.779 122.820 -0.242 0.000 2.055 221 A HA 0.420 4.740 4.320 -0.001 0.000 0.205 221 A C 2.044 179.390 177.584 -0.397 0.000 1.235 221 A CA 0.662 52.541 52.037 -0.263 0.000 0.822 221 A CB 0.097 18.866 19.000 -0.384 0.000 0.903 221 A HN 0.313 nan 8.150 nan 0.000 0.473 222 A N -1.080 121.349 122.820 -0.650 0.000 1.901 222 A HA 0.489 4.808 4.320 -0.001 0.000 0.210 222 A C 1.756 179.129 177.584 -0.352 0.000 1.208 222 A CA 1.629 53.289 52.037 -0.629 0.000 0.644 222 A CB -0.840 17.482 19.000 -1.130 0.000 0.863 222 A HN 2.016 nan 8.150 nan 0.000 0.454 223 G N -1.083 107.537 108.800 -0.300 0.000 2.481 223 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.230 223 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.230 223 G C 0.975 175.790 174.900 -0.141 0.000 1.210 223 G CA 0.691 45.688 45.100 -0.173 0.000 0.936 223 G HN 1.075 nan 8.290 nan 0.000 0.583 224 S N 0.723 116.367 115.700 -0.094 0.000 2.595 224 S HA 0.391 4.861 4.470 -0.001 0.000 0.235 224 S C 1.343 175.904 174.600 -0.065 0.000 0.974 224 S CA 1.571 59.732 58.200 -0.065 0.000 0.942 224 S CB -0.947 62.225 63.200 -0.046 0.000 0.766 224 S HN 1.956 nan 8.310 nan 0.000 0.536 225 A N 0.822 123.582 122.820 -0.100 0.000 2.354 225 A HA 0.416 4.735 4.320 -0.001 0.000 0.269 225 A C 0.814 178.359 177.584 -0.066 0.000 1.109 225 A CA -0.353 51.631 52.037 -0.087 0.000 0.800 225 A CB 0.380 19.307 19.000 -0.122 0.000 1.045 225 A HN 0.592 nan 8.150 nan 0.000 0.489 226 E N 1.108 121.316 120.200 0.014 0.000 2.250 226 E HA -0.013 4.337 4.350 -0.001 0.000 0.192 226 E C 0.531 177.274 176.600 0.238 0.000 0.986 226 E CA 1.151 57.621 56.400 0.117 0.000 0.849 226 E CB 0.191 29.933 29.700 0.071 0.000 0.797 226 E HN 0.781 nan 8.360 nan 0.000 0.482 227 T N -1.286 113.343 114.554 0.126 0.000 2.885 227 T HA 0.508 4.858 4.350 -0.001 0.000 0.285 227 T C -0.130 174.597 174.700 0.045 0.000 1.019 227 T CA -0.890 61.314 62.100 0.172 0.000 1.010 227 T CB 1.651 70.573 68.868 0.089 0.000 1.022 227 T HN -0.000 nan 8.240 nan 0.000 0.466 228 L N 3.017 124.276 121.223 0.061 0.000 2.371 228 L HA 0.431 4.771 4.340 -0.001 0.000 0.272 228 L C 1.090 177.949 176.870 -0.018 0.000 1.124 228 L CA -0.572 54.217 54.840 -0.085 0.000 0.816 228 L CB 1.211 43.227 42.059 -0.071 0.000 1.129 228 L HN 0.993 nan 8.230 nan 0.000 0.448 229 S N 1.558 117.234 115.700 -0.040 0.000 2.610 229 S HA 0.211 4.681 4.470 -0.001 0.000 0.273 229 S C 1.124 175.726 174.600 0.003 0.000 1.274 229 S CA -0.995 57.197 58.200 -0.013 0.000 1.023 229 S CB 1.702 64.889 63.200 -0.022 0.000 0.962 229 S HN 0.340 nan 8.310 nan 0.000 0.523 230 V N 2.241 122.162 119.914 0.012 0.000 2.370 230 V HA -0.226 3.894 4.120 -0.001 0.000 0.252 230 V C 2.428 178.536 176.094 0.023 0.000 1.068 230 V CA 2.495 64.807 62.300 0.020 0.000 1.061 230 V CB -1.285 30.547 31.823 0.016 0.000 0.656 230 V HN 0.913 nan 8.190 nan 0.000 0.455 231 E N -0.428 119.780 120.200 0.013 0.000 2.106 231 E HA -0.119 4.231 4.350 -0.001 0.000 0.192 231 E C 2.419 179.030 176.600 0.018 0.000 0.984 231 E CA 0.773 57.181 56.400 0.013 0.000 0.806 231 E CB -0.249 29.453 29.700 0.003 0.000 0.750 231 E HN 0.428 nan 8.360 nan 0.000 0.458 232 R N 0.054 120.556 120.500 0.004 0.000 2.115 232 R HA 0.005 4.344 4.340 -0.001 0.000 0.226 232 R C 2.202 178.533 176.300 0.052 0.000 1.100 232 R CA 0.553 56.653 56.100 -0.000 0.000 0.980 232 R CB -0.342 29.921 30.300 -0.062 0.000 0.875 232 R HN 0.194 nan 8.270 nan 0.000 0.445 233 L N 0.853 122.113 121.223 0.062 0.000 2.141 233 L HA -0.076 4.264 4.340 -0.001 0.000 0.209 233 L C 1.962 178.945 176.870 0.189 0.000 1.094 233 L CA 1.369 56.294 54.840 0.142 0.000 0.763 233 L CB -0.236 41.883 42.059 0.101 0.000 0.908 233 L HN -0.170 nan 8.230 nan 0.000 0.437 234 V N -0.645 119.337 119.914 0.113 0.000 2.594 234 V HA -0.238 3.882 4.120 -0.001 0.000 0.253 234 V C 2.330 178.493 176.094 0.115 0.000 1.069 234 V CA 2.022 64.380 62.300 0.096 0.000 1.082 234 V CB -0.997 30.860 31.823 0.057 0.000 0.680 234 V HN 0.549 nan 8.190 nan 0.000 0.469 235 T N -0.264 114.369 114.554 0.132 0.000 2.896 235 T HA -0.064 4.285 4.350 -0.001 0.000 0.263 235 T C 1.623 176.461 174.700 0.231 0.000 1.050 235 T CA 1.174 63.356 62.100 0.137 0.000 1.140 235 T CB -0.273 68.647 68.868 0.086 0.000 0.877 235 T HN 0.440 nan 8.240 nan 0.000 0.457 236 F N 2.365 122.388 119.950 0.122 0.000 2.051 236 F HA -0.016 4.510 4.527 -0.001 0.000 0.296 236 F C 1.902 177.812 175.800 0.182 0.000 1.122 236 F CA 1.108 59.221 58.000 0.188 0.000 1.201 236 F CB -0.728 38.398 39.000 0.211 0.000 0.978 236 F HN 0.004 nan 8.300 nan 0.000 0.472 237 L N 0.317 121.638 121.223 0.163 0.000 2.051 237 L HA -0.301 4.038 4.340 -0.001 0.000 0.214 237 L C 2.679 179.538 176.870 -0.019 0.000 1.076 237 L CA 2.192 57.051 54.840 0.033 0.000 0.758 237 L CB -1.131 40.984 42.059 0.094 0.000 0.890 237 L HN 0.425 nan 8.230 nan 0.000 0.433 238 Q N -1.533 118.287 119.800 0.034 0.000 2.089 238 Q HA -0.176 4.164 4.340 -0.001 0.000 0.195 238 Q C 2.215 178.235 176.000 0.033 0.000 0.963 238 Q CA 1.112 56.932 55.803 0.028 0.000 0.834 238 Q CB -0.500 28.268 28.738 0.051 0.000 0.906 238 Q HN 0.567 nan 8.270 nan 0.000 0.452 239 H N 0.368 119.422 119.070 -0.027 0.000 2.317 239 H HA 0.004 4.560 4.556 -0.001 0.000 0.304 239 H C 1.972 177.260 175.328 -0.067 0.000 1.067 239 H CA 1.491 57.525 56.048 -0.024 0.000 1.352 239 H CB 0.536 30.313 29.762 0.024 0.000 1.398 239 H HN 0.243 nan 8.280 nan 0.000 0.510 240 Q N 0.373 120.073 119.800 -0.167 0.000 1.984 240 Q HA -0.070 4.269 4.340 -0.001 0.000 0.196 240 Q C 2.204 177.988 176.000 -0.360 0.000 0.975 240 Q CA 0.798 56.422 55.803 -0.299 0.000 0.827 240 Q CB -0.273 28.277 28.738 -0.314 0.000 0.894 240 Q HN 0.525 nan 8.270 nan 0.000 0.438 241 Q N 0.736 120.271 119.800 -0.442 0.000 2.488 241 Q HA 0.008 4.348 4.340 -0.001 0.000 0.211 241 Q C 0.041 175.938 176.000 -0.172 0.000 0.967 241 Q CA 0.118 55.757 55.803 -0.275 0.000 0.926 241 Q CB 0.018 28.631 28.738 -0.210 0.000 0.992 241 Q HN 0.306 nan 8.270 nan 0.000 0.506 242 R N 1.114 121.517 120.500 -0.163 0.000 3.591 242 R HA -0.147 4.193 4.340 -0.001 0.000 0.268 242 R C -0.455 175.794 176.300 -0.086 0.000 1.102 242 R CA 0.607 56.636 56.100 -0.119 0.000 0.732 242 R CB -1.858 28.358 30.300 -0.141 0.000 1.117 242 R HN 0.342 nan 8.270 nan 0.000 0.472 243 E N 1.246 121.407 120.200 -0.064 0.000 2.373 243 E HA 0.056 4.406 4.350 -0.001 0.000 0.263 243 E C 0.351 176.935 176.600 -0.027 0.000 1.073 243 E CA -0.128 56.249 56.400 -0.039 0.000 0.894 243 E CB 0.500 30.197 29.700 -0.006 0.000 1.008 243 E HN 0.125 nan 8.360 nan 0.000 0.420 244 E N 0.926 121.111 120.200 -0.026 0.000 2.452 244 E HA 0.152 4.501 4.350 -0.001 0.000 0.293 244 E C 0.137 176.735 176.600 -0.003 0.000 1.535 244 E CA 0.007 56.397 56.400 -0.016 0.000 1.816 244 E CB -0.591 29.096 29.700 -0.021 0.000 1.494 244 E HN 0.547 nan 8.360 nan 0.000 0.464 245 E N 1.042 121.244 120.200 0.003 0.000 2.760 245 E HA 0.059 4.408 4.350 -0.001 0.000 0.268 245 E C 0.662 177.271 176.600 0.016 0.000 0.935 245 E CA 0.626 57.035 56.400 0.015 0.000 0.960 245 E CB 0.044 29.759 29.700 0.024 0.000 0.931 245 E HN 0.468 nan 8.360 nan 0.000 0.483 246 A N 3.313 126.145 122.820 0.019 0.000 3.019 246 A HA 0.558 4.878 4.320 -0.001 0.000 0.262 246 A C 1.724 179.319 177.584 0.018 0.000 1.509 246 A CA 0.979 53.027 52.037 0.017 0.000 1.159 246 A CB -1.231 17.779 19.000 0.017 0.000 1.042 246 A HN 2.305 nan 8.150 nan 0.000 0.641 247 G N 0.999 109.812 108.800 0.020 0.000 2.627 247 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.312 247 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.312 247 G C -0.990 173.924 174.900 0.023 0.000 1.299 247 G CA 0.592 45.705 45.100 0.021 0.000 0.989 247 G HN 0.371 nan 8.290 nan 0.000 0.547 248 P HA 0.167 nan 4.420 nan 0.000 0.226 248 P C 1.950 179.259 177.300 0.014 0.000 1.153 248 P CA 2.334 65.444 63.100 0.017 0.000 0.777 248 P CB -0.173 31.535 31.700 0.013 0.000 0.794 249 A N -0.259 122.569 122.820 0.013 0.000 1.854 249 A HA -0.144 4.175 4.320 -0.001 0.000 0.214 249 A C 2.044 179.634 177.584 0.011 0.000 1.192 249 A CA 1.222 53.265 52.037 0.010 0.000 0.611 249 A CB -1.608 17.399 19.000 0.011 0.000 0.832 249 A HN 0.138 nan 8.150 nan 0.000 0.442 250 L N 0.128 121.360 121.223 0.015 0.000 2.012 250 L HA -0.129 4.211 4.340 -0.001 0.000 0.210 250 L C 2.689 179.565 176.870 0.009 0.000 1.073 250 L CA 2.386 57.236 54.840 0.018 0.000 0.748 250 L CB -1.065 41.009 42.059 0.025 0.000 0.891 250 L HN 0.382 nan 8.230 nan 0.000 0.431 251 A N -0.490 122.337 122.820 0.013 0.000 1.892 251 A HA -0.242 4.077 4.320 -0.001 0.000 0.218 251 A C 2.302 179.889 177.584 0.006 0.000 1.188 251 A CA 2.358 54.402 52.037 0.012 0.000 0.631 251 A CB -1.076 17.940 19.000 0.026 0.000 0.822 251 A HN 0.535 nan 8.150 nan 0.000 0.447 252 L N -0.251 120.975 121.223 0.006 0.000 2.201 252 L HA -0.134 4.205 4.340 -0.001 0.000 0.212 252 L C 2.785 179.649 176.870 -0.010 0.000 1.105 252 L CA 1.193 56.034 54.840 0.001 0.000 0.775 252 L CB -0.341 41.719 42.059 0.002 0.000 0.913 252 L HN 0.378 nan 8.230 nan 0.000 0.440 253 S N 0.025 115.718 115.700 -0.012 0.000 2.345 253 S HA -0.109 4.361 4.470 -0.001 0.000 0.220 253 S C 1.880 176.446 174.600 -0.055 0.000 1.031 253 S CA 0.840 59.023 58.200 -0.029 0.000 0.996 253 S CB -0.243 62.950 63.200 -0.011 0.000 0.882 253 S HN 0.160 nan 8.310 nan 0.000 0.445 254 L N 1.646 122.858 121.223 -0.019 0.000 2.079 254 L HA 0.002 4.341 4.340 -0.001 0.000 0.210 254 L C 2.160 179.045 176.870 0.025 0.000 1.081 254 L CA 1.358 56.213 54.840 0.025 0.000 0.752 254 L CB -1.436 40.604 42.059 -0.031 0.000 0.896 254 L HN 0.330 nan 8.230 nan 0.000 0.433 255 I N -0.560 120.017 120.570 0.013 0.000 2.163 255 I HA -0.279 3.890 4.170 -0.001 0.000 0.240 255 I C 2.542 178.655 176.117 -0.006 0.000 1.081 255 I CA 1.180 62.497 61.300 0.030 0.000 1.353 255 I CB -0.262 37.755 38.000 0.027 0.000 1.054 255 I HN 0.230 nan 8.210 nan 0.000 0.407 256 E N 1.524 121.702 120.200 -0.036 0.000 2.085 256 E HA -0.266 4.084 4.350 -0.001 0.000 0.194 256 E C 2.203 178.741 176.600 -0.104 0.000 0.994 256 E CA 1.653 58.021 56.400 -0.053 0.000 0.801 256 E CB -0.175 29.494 29.700 -0.052 0.000 0.743 256 E HN 0.234 nan 8.360 nan 0.000 0.453 257 R N -1.548 118.827 120.500 -0.208 0.000 2.056 257 R HA -0.107 4.232 4.340 -0.001 0.000 0.227 257 R C 2.055 178.105 176.300 -0.416 0.000 1.149 257 R CA 1.722 57.567 56.100 -0.426 0.000 0.937 257 R CB -0.343 29.481 30.300 -0.793 0.000 0.835 257 R HN 0.278 nan 8.270 nan 0.000 0.430 258 Y N 0.256 120.591 120.300 0.059 0.000 2.490 258 Y HA 0.115 4.664 4.550 -0.001 0.000 0.285 258 Y C 0.407 176.336 175.900 0.048 0.000 1.117 258 Y CA -0.040 58.100 58.100 0.067 0.000 1.262 258 Y CB -0.289 38.244 38.460 0.122 0.000 1.043 258 Y HN 0.076 nan 8.280 nan 0.000 0.553 259 E N 3.723 124.008 120.200 0.143 0.000 2.383 259 E HA -0.004 4.346 4.350 -0.001 0.000 0.257 259 E C -1.704 174.932 176.600 0.059 0.000 1.079 259 E CA -1.635 54.821 56.400 0.094 0.000 0.934 259 E CB 0.569 30.310 29.700 0.068 0.000 0.978 259 E HN 0.126 nan 8.360 nan 0.000 0.462 260 P HA -0.057 nan 4.420 nan 0.000 0.224 260 P C 0.093 177.405 177.300 0.021 0.000 1.157 260 P CA 0.217 63.337 63.100 0.034 0.000 0.799 260 P CB 0.388 32.105 31.700 0.028 0.000 0.809 261 S N 0.911 116.622 115.700 0.019 0.000 2.465 261 S HA 0.049 4.519 4.470 -0.001 0.000 0.280 261 S C 1.363 175.971 174.600 0.014 0.000 1.232 261 S CA -0.384 57.824 58.200 0.013 0.000 1.066 261 S CB 0.051 63.258 63.200 0.011 0.000 0.929 261 S HN -0.057 nan 8.310 nan 0.000 0.494 262 E N 3.234 123.440 120.200 0.010 0.000 2.110 262 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 262 E C 2.223 178.828 176.600 0.008 0.000 0.988 262 E CA 1.834 58.239 56.400 0.008 0.000 0.804 262 E CB -0.716 28.988 29.700 0.006 0.000 0.745 262 E HN 0.957 nan 8.360 nan 0.000 0.458 263 T N -0.873 113.686 114.554 0.008 0.000 2.812 263 T HA 0.058 4.408 4.350 -0.001 0.000 0.264 263 T C 2.099 176.805 174.700 0.011 0.000 1.042 263 T CA 1.295 63.400 62.100 0.008 0.000 1.140 263 T CB -0.158 68.714 68.868 0.006 0.000 0.870 263 T HN 0.105 nan 8.240 nan 0.000 0.445 264 A N 1.259 124.088 122.820 0.015 0.000 2.066 264 A HA 0.130 4.449 4.320 -0.001 0.000 0.218 264 A C 2.387 179.985 177.584 0.023 0.000 1.157 264 A CA 1.445 53.495 52.037 0.021 0.000 0.670 264 A CB -0.617 18.399 19.000 0.027 0.000 0.804 264 A HN 0.580 nan 8.150 nan 0.000 0.453 265 K N -0.306 120.106 120.400 0.019 0.000 2.031 265 K HA -0.001 4.318 4.320 -0.001 0.000 0.205 265 K C 2.241 178.848 176.600 0.012 0.000 1.049 265 K CA 0.988 57.285 56.287 0.017 0.000 0.939 265 K CB -0.264 32.243 32.500 0.013 0.000 0.717 265 K HN 0.373 nan 8.250 nan 0.000 0.438 266 A N 0.840 123.666 122.820 0.009 0.000 1.877 266 A HA -0.190 4.130 4.320 -0.001 0.000 0.216 266 A C 1.727 179.316 177.584 0.007 0.000 1.186 266 A CA 1.405 53.446 52.037 0.007 0.000 0.620 266 A CB -0.422 18.581 19.000 0.005 0.000 0.822 266 A HN 0.386 nan 8.150 nan 0.000 0.443 267 Q N -1.288 118.517 119.800 0.009 0.000 2.329 267 Q HA 0.243 4.582 4.340 -0.001 0.000 0.208 267 Q C -0.176 175.830 176.000 0.011 0.000 0.934 267 Q CA -0.069 55.739 55.803 0.009 0.000 0.951 267 Q CB -0.098 28.645 28.738 0.009 0.000 1.017 267 Q HN 0.517 nan 8.270 nan 0.000 0.490 268 R N 0.304 120.811 120.500 0.012 0.000 3.422 268 R HA -0.228 4.112 4.340 -0.001 0.000 0.267 268 R C -0.917 175.395 176.300 0.020 0.000 1.074 268 R CA 0.581 56.690 56.100 0.014 0.000 0.718 268 R CB -1.525 28.781 30.300 0.010 0.000 1.157 268 R HN 0.387 nan 8.270 nan 0.000 0.440 269 Q N -0.301 119.516 119.800 0.028 0.000 2.484 269 Q HA 0.596 4.935 4.340 -0.001 0.000 0.285 269 Q C -0.743 175.295 176.000 0.063 0.000 1.097 269 Q CA -0.975 54.852 55.803 0.041 0.000 0.802 269 Q CB 2.460 31.220 28.738 0.037 0.000 1.444 269 Q HN 0.180 nan 8.270 nan 0.000 0.429 270 M N 1.959 121.616 119.600 0.096 0.000 2.181 270 M HA 0.348 4.828 4.480 -0.001 0.000 0.323 270 M C -0.376 176.030 176.300 0.177 0.000 1.004 270 M CA -0.350 55.032 55.300 0.138 0.000 0.941 270 M CB 1.501 34.211 32.600 0.182 0.000 1.579 270 M HN 0.894 nan 8.290 nan 0.000 0.427 271 T N 1.044 115.648 114.554 0.084 0.000 2.753 271 T HA 0.246 4.596 4.350 -0.001 0.000 0.309 271 T C 0.781 175.294 174.700 -0.312 0.000 1.043 271 T CA -0.226 61.858 62.100 -0.027 0.000 0.964 271 T CB 0.711 69.552 68.868 -0.046 0.000 1.206 271 T HN 0.858 nan 8.240 nan 0.000 0.528 272 K N -0.237 119.791 120.400 -0.621 0.000 2.305 272 K HA -0.034 4.286 4.320 -0.001 0.000 0.199 272 K C 1.432 177.851 176.600 -0.302 0.000 1.047 272 K CA 0.806 56.559 56.287 -0.890 0.000 0.976 272 K CB -0.151 31.836 32.500 -0.856 0.000 0.765 272 K HN 0.548 nan 8.250 nan 0.000 0.474 273 D N 0.018 120.310 120.400 -0.181 0.000 2.117 273 D HA -0.101 4.538 4.640 -0.001 0.000 0.198 273 D C 1.731 178.021 176.300 -0.018 0.000 0.982 273 D CA 1.466 55.417 54.000 -0.082 0.000 0.828 273 D CB -0.232 40.536 40.800 -0.052 0.000 0.967 273 D HN 0.428 nan 8.370 nan 0.000 0.464 274 G N -0.552 108.265 108.800 0.028 0.000 2.777 274 G HA2 -0.104 3.855 3.960 -0.001 0.000 0.211 274 G HA3 -0.104 3.855 3.960 -0.001 0.000 0.211 274 G C 1.177 176.185 174.900 0.181 0.000 1.149 274 G CA -0.267 44.904 45.100 0.118 0.000 0.785 274 G HN 0.150 nan 8.290 nan 0.000 0.536 275 F N 0.724 120.655 119.950 -0.032 0.000 2.219 275 F HA 0.196 4.722 4.527 -0.001 0.000 0.294 275 F C 2.105 177.928 175.800 0.038 0.000 1.086 275 F CA 0.577 58.597 58.000 0.033 0.000 1.330 275 F CB -0.041 38.890 39.000 -0.115 0.000 1.047 275 F HN 0.088 nan 8.300 nan 0.000 0.495 276 L N 0.287 121.468 121.223 -0.070 0.000 2.044 276 L HA -0.110 4.230 4.340 -0.001 0.000 0.205 276 L C 2.301 179.033 176.870 -0.231 0.000 1.075 276 L CA 1.840 56.564 54.840 -0.194 0.000 0.747 276 L CB -0.858 41.115 42.059 -0.144 0.000 0.903 276 L HN 0.237 nan 8.230 nan 0.000 0.435 277 M N -1.666 117.852 119.600 -0.137 0.000 2.106 277 M HA -0.275 4.204 4.480 -0.001 0.000 0.259 277 M C 2.258 178.350 176.300 -0.347 0.000 1.068 277 M CA 2.260 57.470 55.300 -0.149 0.000 1.100 277 M CB -0.512 32.093 32.600 0.008 0.000 1.351 277 M HN 0.506 nan 8.290 nan 0.000 0.404 278 Y N 0.602 120.640 120.300 -0.437 0.000 2.224 278 Y HA -0.170 4.379 4.550 -0.001 0.000 0.289 278 Y C 1.644 177.253 175.900 -0.486 0.000 1.146 278 Y CA 1.513 59.164 58.100 -0.748 0.000 1.182 278 Y CB -0.474 37.852 38.460 -0.222 0.000 0.983 278 Y HN 0.130 nan 8.280 nan 0.000 0.524 279 L N -0.361 120.440 121.223 -0.703 0.000 2.217 279 L HA -0.126 4.214 4.340 -0.001 0.000 0.211 279 L C 2.102 178.774 176.870 -0.330 0.000 1.107 279 L CA 0.821 55.318 54.840 -0.572 0.000 0.783 279 L CB -0.276 41.622 42.059 -0.269 0.000 0.919 279 L HN 0.275 nan 8.230 nan 0.000 0.442 280 L N -1.080 119.862 121.223 -0.467 0.000 2.509 280 L HA 0.047 4.387 4.340 -0.001 0.000 0.222 280 L C 1.649 178.414 176.870 -0.176 0.000 1.123 280 L CA -0.210 54.361 54.840 -0.449 0.000 0.856 280 L CB -0.033 41.738 42.059 -0.480 0.000 0.985 280 L HN 0.272 nan 8.230 nan 0.000 0.456 281 S N -0.444 115.061 115.700 -0.325 0.000 2.640 281 S HA 0.315 4.785 4.470 -0.001 0.000 0.262 281 S C 1.476 175.964 174.600 -0.186 0.000 1.232 281 S CA -0.001 58.034 58.200 -0.274 0.000 0.988 281 S CB 1.300 64.134 63.200 -0.611 0.000 1.034 281 S HN 0.103 nan 8.310 nan 0.000 0.569 282 A N 0.126 122.900 122.820 -0.077 0.000 2.019 282 A HA -0.055 4.265 4.320 -0.001 0.000 0.219 282 A C 1.827 179.412 177.584 0.001 0.000 1.164 282 A CA 1.539 53.554 52.037 -0.036 0.000 0.644 282 A CB -1.017 18.006 19.000 0.040 0.000 0.805 282 A HN 0.884 nan 8.150 nan 0.000 0.449 283 D N -0.764 119.658 120.400 0.036 0.000 2.234 283 D HA -0.044 4.595 4.640 -0.001 0.000 0.205 283 D C 1.863 178.100 176.300 -0.104 0.000 0.962 283 D CA 1.213 55.271 54.000 0.096 0.000 0.855 283 D CB -0.056 40.985 40.800 0.401 0.000 0.951 283 D HN 0.492 nan 8.370 nan 0.000 0.500 284 G N 0.264 108.865 108.800 -0.331 0.000 2.838 284 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.210 284 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.210 284 G C 0.914 175.756 174.900 -0.096 0.000 1.153 284 G CA -0.274 44.589 45.100 -0.395 0.000 0.778 284 G HN 0.074 nan 8.290 nan 0.000 0.539 285 N N 0.943 119.624 118.700 -0.032 0.000 2.407 285 N HA 0.116 4.855 4.740 -0.001 0.000 0.250 285 N C 1.563 177.085 175.510 0.019 0.000 1.236 285 N CA 0.506 53.590 53.050 0.056 0.000 0.879 285 N CB 1.285 39.770 38.487 -0.002 0.000 1.088 285 N HN 0.038 nan 8.380 nan 0.000 0.450 286 A N 4.057 126.891 122.820 0.022 0.000 2.067 286 A HA -0.073 4.246 4.320 -0.001 0.000 0.219 286 A C 0.741 178.303 177.584 -0.036 0.000 1.158 286 A CA 0.576 52.579 52.037 -0.057 0.000 0.661 286 A CB -0.216 18.697 19.000 -0.145 0.000 0.801 286 A HN 0.619 nan 8.150 nan 0.000 0.452 287 F N 1.165 121.082 119.950 -0.054 0.000 2.390 287 F HA 0.423 4.950 4.527 -0.000 0.000 0.361 287 F C 0.877 176.638 175.800 -0.066 0.000 1.124 287 F CA -0.918 57.061 58.000 -0.036 0.000 1.149 287 F CB 0.676 39.675 39.000 -0.000 0.000 1.160 287 F HN -0.011 nan 8.300 nan 0.000 0.501 288 S N 6.091 121.603 115.700 -0.315 0.000 2.885 288 S HA -0.098 4.372 4.470 -0.001 0.000 0.334 288 S C 1.302 175.902 174.600 -0.001 0.000 1.224 288 S CA -0.385 57.649 58.200 -0.276 0.000 1.080 288 S CB -0.078 62.688 63.200 -0.724 0.000 0.801 288 S HN 0.805 nan 8.310 nan 0.000 0.510 289 L N 6.786 128.021 121.223 0.019 0.000 2.083 289 L HA 0.019 4.359 4.340 -0.001 0.000 0.209 289 L C 2.423 179.345 176.870 0.086 0.000 1.083 289 L CA 2.483 57.376 54.840 0.088 0.000 0.752 289 L CB -1.237 40.862 42.059 0.066 0.000 0.899 289 L HN 0.840 nan 8.230 nan 0.000 0.433 290 A N -1.697 121.116 122.820 -0.012 0.000 2.024 290 A HA -0.243 4.076 4.320 -0.001 0.000 0.220 290 A C 2.048 179.693 177.584 0.102 0.000 1.164 290 A CA 1.814 53.849 52.037 -0.002 0.000 0.643 290 A CB -1.038 17.888 19.000 -0.123 0.000 0.806 290 A HN 0.756 nan 8.150 nan 0.000 0.451 291 H N -1.473 117.547 119.070 -0.084 0.000 2.548 291 H HA 0.115 4.670 4.556 -0.001 0.000 0.265 291 H C 1.202 176.748 175.328 0.364 0.000 0.969 291 H CA -0.170 55.904 56.048 0.044 0.000 1.155 291 H CB 0.279 30.009 29.762 -0.055 0.000 1.394 291 H HN 0.320 nan 8.280 nan 0.000 0.570 292 R N 1.650 122.383 120.500 0.388 0.000 2.319 292 R HA 0.050 4.390 4.340 -0.001 0.000 0.204 292 R C 0.573 177.007 176.300 0.224 0.000 0.954 292 R CA 0.108 56.373 56.100 0.276 0.000 1.066 292 R CB -0.028 30.378 30.300 0.177 0.000 0.991 292 R HN 0.475 nan 8.270 nan 0.000 0.486 293 R N -1.420 119.244 120.500 0.273 0.000 2.854 293 R HA 0.392 4.732 4.340 -0.001 0.000 0.271 293 R C -0.732 175.735 176.300 0.279 0.000 0.994 293 R CA -0.784 55.455 56.100 0.231 0.000 0.945 293 R CB 1.270 31.689 30.300 0.200 0.000 1.194 293 R HN -0.268 nan 8.270 nan 0.000 0.476 294 V N 3.507 123.535 119.914 0.190 0.000 2.446 294 V HA 0.036 4.156 4.120 -0.001 0.000 0.276 294 V C -0.228 175.940 176.094 0.123 0.000 1.030 294 V CA 0.229 62.589 62.300 0.099 0.000 1.033 294 V CB -0.310 31.578 31.823 0.107 0.000 0.993 294 V HN 0.902 nan 8.190 nan 0.000 0.477 295 Y N 2.142 122.460 120.300 0.030 0.000 2.610 295 Y HA 0.498 5.048 4.550 -0.001 0.000 0.254 295 Y C 0.547 176.447 175.900 -0.000 0.000 1.110 295 Y CA -0.795 57.322 58.100 0.027 0.000 1.238 295 Y CB -0.091 38.394 38.460 0.042 0.000 1.322 295 Y HN 0.483 nan 8.280 nan 0.000 0.547 296 Q N 1.517 121.006 119.800 -0.519 0.000 2.212 296 Q HA 0.119 4.459 4.340 -0.001 0.000 0.238 296 Q C -0.767 175.161 176.000 -0.120 0.000 0.955 296 Q CA -0.895 54.690 55.803 -0.363 0.000 0.906 296 Q CB 1.083 29.526 28.738 -0.492 0.000 1.215 296 Q HN 0.233 nan 8.270 nan 0.000 0.478 297 D N 1.533 121.898 120.400 -0.058 0.000 2.382 297 D HA -0.019 4.620 4.640 -0.001 0.000 0.259 297 D C -0.206 176.150 176.300 0.093 0.000 1.224 297 D CA 0.241 54.248 54.000 0.012 0.000 0.894 297 D CB 0.706 41.510 40.800 0.007 0.000 1.127 297 D HN 0.365 nan 8.370 nan 0.000 0.487 298 M N 3.020 122.659 119.600 0.064 0.000 2.655 298 M HA 0.120 4.599 4.480 -0.001 0.000 0.311 298 M C -0.173 176.137 176.300 0.018 0.000 1.229 298 M CA -0.121 55.196 55.300 0.027 0.000 0.972 298 M CB 0.038 32.607 32.600 -0.051 0.000 1.366 298 M HN 0.291 nan 8.290 nan 0.000 0.500 299 D N -0.079 120.366 120.400 0.075 0.000 2.501 299 D HA 0.140 4.779 4.640 -0.001 0.000 0.224 299 D C 0.331 176.648 176.300 0.029 0.000 1.202 299 D CA 0.105 54.118 54.000 0.022 0.000 0.829 299 D CB 1.143 41.948 40.800 0.009 0.000 1.023 299 D HN 0.264 nan 8.370 nan 0.000 0.499 300 Q N 0.855 120.742 119.800 0.146 0.000 2.205 300 Q HA 0.402 4.742 4.340 -0.001 0.000 0.249 300 Q C -2.456 173.577 176.000 0.056 0.000 0.948 300 Q CA -2.043 53.805 55.803 0.075 0.000 0.895 300 Q CB 0.730 29.546 28.738 0.130 0.000 1.249 300 Q HN -0.096 nan 8.270 nan 0.000 0.458 301 P HA -0.010 nan 4.420 nan 0.000 0.267 301 P C 0.816 178.153 177.300 0.061 0.000 1.201 301 P CA 0.201 63.178 63.100 -0.206 0.000 0.775 301 P CB 0.509 31.964 31.700 -0.408 0.000 0.854 302 L N 1.480 122.730 121.223 0.045 0.000 2.129 302 L HA -0.238 4.102 4.340 -0.001 0.000 0.212 302 L C 2.089 179.162 176.870 0.338 0.000 1.087 302 L CA 2.218 57.150 54.840 0.154 0.000 0.757 302 L CB -0.966 41.163 42.059 0.115 0.000 0.896 302 L HN 0.470 nan 8.230 nan 0.000 0.434 303 S N -2.376 113.490 115.700 0.276 0.000 2.547 303 S HA -0.150 4.320 4.470 -0.001 0.000 0.235 303 S C 1.399 176.216 174.600 0.361 0.000 0.980 303 S CA 0.534 58.918 58.200 0.306 0.000 0.941 303 S CB -0.640 62.719 63.200 0.264 0.000 0.763 303 S HN 0.562 nan 8.310 nan 0.000 0.532 304 H N -0.506 118.649 119.070 0.141 0.000 2.526 304 H HA 0.269 4.825 4.556 -0.001 0.000 0.274 304 H C -0.641 174.491 175.328 -0.325 0.000 0.999 304 H CA -0.064 55.923 56.048 -0.102 0.000 1.157 304 H CB 0.218 29.868 29.762 -0.187 0.000 1.407 304 H HN 0.427 nan 8.280 nan 0.000 0.568 305 Y N 0.203 120.584 120.300 0.134 0.000 2.570 305 Y HA 0.352 4.902 4.550 -0.001 0.000 0.345 305 Y C -0.306 175.649 175.900 0.091 0.000 1.014 305 Y CA -1.071 57.087 58.100 0.097 0.000 1.063 305 Y CB 1.532 40.129 38.460 0.228 0.000 1.272 305 Y HN -0.127 nan 8.280 nan 0.000 0.477 306 L N 2.728 124.058 121.223 0.179 0.000 2.275 306 L HA 0.590 4.930 4.340 -0.001 0.000 0.288 306 L C -0.951 176.104 176.870 0.309 0.000 1.046 306 L CA -0.936 54.002 54.840 0.163 0.000 0.805 306 L CB 1.001 42.936 42.059 -0.207 0.000 1.193 306 L HN 0.299 nan 8.230 nan 0.000 0.426 307 V N 1.931 121.959 119.914 0.190 0.000 2.398 307 V HA 0.179 4.299 4.120 -0.001 0.000 0.286 307 V C 0.519 176.391 176.094 -0.370 0.000 1.026 307 V CA -0.556 61.619 62.300 -0.207 0.000 0.868 307 V CB 1.604 33.329 31.823 -0.164 0.000 0.982 307 V HN 0.797 nan 8.190 nan 0.000 0.443 308 S N 3.754 118.841 115.700 -1.022 0.000 2.506 308 S HA 0.186 4.656 4.470 -0.001 0.000 0.291 308 S C 0.263 174.738 174.600 -0.209 0.000 1.230 308 S CA -0.052 57.616 58.200 -0.886 0.000 1.107 308 S CB -0.227 62.458 63.200 -0.858 0.000 0.942 308 S HN 0.827 nan 8.310 nan 0.000 0.502 309 S N 3.822 119.596 115.700 0.123 0.000 2.532 309 S HA 0.456 4.926 4.470 -0.001 0.000 0.299 309 S C -0.554 173.968 174.600 -0.130 0.000 1.105 309 S CA -0.694 57.508 58.200 0.003 0.000 1.018 309 S CB 1.846 65.120 63.200 0.124 0.000 1.021 309 S HN 0.649 nan 8.310 nan 0.000 0.483 310 S N 2.074 117.552 115.700 -0.370 0.000 2.489 310 S HA 0.353 4.822 4.470 -0.001 0.000 0.291 310 S C -0.789 173.720 174.600 -0.151 0.000 1.151 310 S CA -0.625 57.289 58.200 -0.477 0.000 1.082 310 S CB 0.416 63.172 63.200 -0.741 0.000 1.019 310 S HN 0.791 nan 8.310 nan 0.000 0.492 311 H N 4.126 123.090 119.070 -0.177 0.000 2.467 311 H HA 0.285 4.840 4.556 -0.001 0.000 0.326 311 H C 0.047 175.224 175.328 -0.252 0.000 1.094 311 H CA -0.031 55.940 56.048 -0.129 0.000 1.253 311 H CB 0.171 29.902 29.762 -0.053 0.000 1.439 311 H HN 0.982 nan 8.280 nan 0.000 0.479 312 N N 3.618 121.839 118.700 -0.798 0.000 2.698 312 N HA -0.207 4.532 4.740 -0.001 0.000 0.258 312 N C 0.620 175.555 175.510 -0.960 0.000 0.978 312 N CA 0.525 53.020 53.050 -0.925 0.000 0.777 312 N CB -0.268 37.495 38.487 -1.208 0.000 0.907 312 N HN 0.689 nan 8.380 nan 0.000 0.543 313 T N -1.003 113.178 114.554 -0.622 0.000 2.760 313 T HA -0.281 4.069 4.350 -0.001 0.000 0.269 313 T C 1.500 175.648 174.700 -0.920 0.000 1.047 313 T CA 1.974 63.636 62.100 -0.729 0.000 1.139 313 T CB -0.380 68.041 68.868 -0.745 0.000 0.855 313 T HN 0.679 nan 8.240 nan 0.000 0.471 314 Y N 1.046 120.956 120.300 -0.651 0.000 2.333 314 Y HA 0.230 4.779 4.550 -0.001 0.000 0.290 314 Y C 0.885 176.669 175.900 -0.194 0.000 1.144 314 Y CA -0.340 57.551 58.100 -0.348 0.000 1.228 314 Y CB -1.174 37.326 38.460 0.066 0.000 0.985 314 Y HN 0.135 nan 8.280 nan 0.000 0.542 315 L N 1.656 122.534 121.223 -0.576 0.000 2.380 315 L HA 0.116 4.456 4.340 -0.001 0.000 0.273 315 L C 0.879 177.628 176.870 -0.201 0.000 1.138 315 L CA -0.162 54.489 54.840 -0.314 0.000 0.832 315 L CB 1.301 43.112 42.059 -0.413 0.000 1.124 315 L HN 0.294 nan 8.230 nan 0.000 0.454 316 L N 1.880 123.045 121.223 -0.097 0.000 2.590 316 L HA 0.189 4.529 4.340 -0.001 0.000 0.227 316 L C 0.959 177.795 176.870 -0.056 0.000 1.099 316 L CA 0.437 55.234 54.840 -0.071 0.000 0.872 316 L CB 0.318 42.355 42.059 -0.035 0.000 1.088 316 L HN 0.770 nan 8.230 nan 0.000 0.479 317 E N -1.038 119.132 120.200 -0.050 0.000 4.559 317 E HA 0.091 4.440 4.350 -0.001 0.000 0.154 317 E C -0.819 175.763 176.600 -0.031 0.000 1.183 317 E CA -0.675 55.707 56.400 -0.031 0.000 0.787 317 E CB 0.313 30.009 29.700 -0.006 0.000 2.055 317 E HN 0.075 nan 8.360 nan 0.000 0.445 318 D N 0.624 121.025 120.400 0.001 0.000 2.433 318 D HA 0.003 4.642 4.640 -0.001 0.000 0.255 318 D C 0.487 176.807 176.300 0.033 0.000 1.226 318 D CA -0.089 53.921 54.000 0.018 0.000 1.015 318 D CB 0.738 41.564 40.800 0.044 0.000 1.091 318 D HN 0.139 nan 8.370 nan 0.000 0.527 319 Q N -0.609 119.230 119.800 0.067 0.000 2.403 319 Q HA 0.169 4.508 4.340 -0.001 0.000 0.203 319 Q C 1.587 177.744 176.000 0.261 0.000 0.932 319 Q CA 0.341 56.233 55.803 0.148 0.000 0.945 319 Q CB 0.512 29.341 28.738 0.152 0.000 1.045 319 Q HN 0.533 nan 8.270 nan 0.000 0.511 320 L N -0.979 120.338 121.223 0.157 0.000 2.600 320 L HA 0.119 4.458 4.340 -0.001 0.000 0.213 320 L C 1.626 178.589 176.870 0.155 0.000 1.045 320 L CA 1.196 56.109 54.840 0.121 0.000 0.863 320 L CB 0.233 42.349 42.059 0.094 0.000 1.189 320 L HN 0.077 nan 8.230 nan 0.000 0.484 321 T N -3.276 111.379 114.554 0.168 0.000 3.058 321 T HA 0.283 4.632 4.350 -0.001 0.000 0.278 321 T C 0.826 175.611 174.700 0.141 0.000 0.974 321 T CA 0.160 62.383 62.100 0.205 0.000 0.893 321 T CB 0.295 69.275 68.868 0.186 0.000 1.138 321 T HN 0.100 nan 8.240 nan 0.000 0.529 322 G N 3.026 111.896 108.800 0.116 0.000 2.599 322 G HA2 0.566 4.526 3.960 -0.001 0.000 0.264 322 G HA3 0.566 4.526 3.960 -0.001 0.000 0.264 322 G C -2.641 172.314 174.900 0.092 0.000 1.200 322 G CA -1.445 43.704 45.100 0.082 0.000 0.896 322 G HN 0.199 nan 8.290 nan 0.000 0.536 323 P HA 0.239 nan 4.420 nan 0.000 0.277 323 P C -0.608 176.744 177.300 0.087 0.000 1.240 323 P CA -0.229 62.914 63.100 0.072 0.000 0.798 323 P CB 1.541 33.267 31.700 0.043 0.000 0.979 324 S N 0.527 116.303 115.700 0.127 0.000 2.503 324 S HA 0.600 5.069 4.470 -0.001 0.000 0.301 324 S C -0.463 174.217 174.600 0.135 0.000 1.087 324 S CA -0.365 57.947 58.200 0.186 0.000 1.042 324 S CB 1.057 64.435 63.200 0.296 0.000 1.043 324 S HN 0.587 nan 8.310 nan 0.000 0.489 325 S N 0.429 116.209 115.700 0.134 0.000 2.537 325 S HA 0.389 4.858 4.470 -0.001 0.000 0.271 325 S C 0.992 175.686 174.600 0.157 0.000 1.148 325 S CA -0.213 58.050 58.200 0.106 0.000 0.868 325 S CB 0.986 64.215 63.200 0.048 0.000 1.115 325 S HN 0.805 nan 8.310 nan 0.000 0.461 326 T N 0.781 115.413 114.554 0.130 0.000 2.833 326 T HA -0.036 4.314 4.350 -0.001 0.000 0.269 326 T C 1.274 176.032 174.700 0.095 0.000 1.054 326 T CA 1.489 63.679 62.100 0.150 0.000 1.135 326 T CB -0.555 68.335 68.868 0.036 0.000 0.869 326 T HN 0.720 nan 8.240 nan 0.000 0.466 327 E N 1.544 121.756 120.200 0.020 0.000 2.130 327 E HA -0.126 4.224 4.350 -0.001 0.000 0.196 327 E C 2.577 179.143 176.600 -0.058 0.000 0.998 327 E CA 1.119 57.493 56.400 -0.044 0.000 0.806 327 E CB -0.390 29.289 29.700 -0.035 0.000 0.738 327 E HN 0.727 nan 8.360 nan 0.000 0.459 328 A N 0.338 123.131 122.820 -0.046 0.000 1.933 328 A HA -0.186 4.134 4.320 -0.001 0.000 0.218 328 A C 1.763 179.227 177.584 -0.200 0.000 1.175 328 A CA 1.216 53.170 52.037 -0.139 0.000 0.628 328 A CB -0.624 18.251 19.000 -0.209 0.000 0.814 328 A HN 0.268 nan 8.150 nan 0.000 0.444 329 Y N -0.271 119.967 120.300 -0.104 0.000 2.220 329 Y HA -0.054 4.495 4.550 -0.001 0.000 0.291 329 Y C 2.232 178.035 175.900 -0.163 0.000 1.129 329 Y CA 1.316 59.341 58.100 -0.125 0.000 1.161 329 Y CB -0.296 38.102 38.460 -0.103 0.000 0.997 329 Y HN 0.195 nan 8.280 nan 0.000 0.522 330 I N -0.194 120.329 120.570 -0.080 0.000 2.179 330 I HA -0.340 3.830 4.170 -0.001 0.000 0.242 330 I C 2.376 178.358 176.117 -0.226 0.000 1.088 330 I CA 1.432 62.531 61.300 -0.335 0.000 1.357 330 I CB -0.388 37.242 38.000 -0.616 0.000 1.051 330 I HN 0.177 nan 8.210 nan 0.000 0.409 331 R N 0.820 121.232 120.500 -0.146 0.000 2.091 331 R HA -0.161 4.179 4.340 -0.001 0.000 0.238 331 R C 2.435 178.732 176.300 -0.004 0.000 1.136 331 R CA 1.593 57.652 56.100 -0.069 0.000 0.959 331 R CB -0.615 29.656 30.300 -0.048 0.000 0.856 331 R HN 0.384 nan 8.270 nan 0.000 0.437 332 A N 1.310 124.113 122.820 -0.030 0.000 1.902 332 A HA -0.122 4.198 4.320 -0.001 0.000 0.217 332 A C 2.231 179.800 177.584 -0.025 0.000 1.181 332 A CA 1.167 53.188 52.037 -0.027 0.000 0.623 332 A CB -0.461 18.371 19.000 -0.280 0.000 0.818 332 A HN 0.173 nan 8.150 nan 0.000 0.443 333 L N -1.202 120.000 121.223 -0.035 0.000 2.072 333 L HA -0.176 4.164 4.340 -0.001 0.000 0.205 333 L C 2.523 179.426 176.870 0.055 0.000 1.079 333 L CA 0.880 55.717 54.840 -0.004 0.000 0.752 333 L CB -0.461 41.607 42.059 0.015 0.000 0.906 333 L HN 0.451 nan 8.230 nan 0.000 0.436 334 C N -0.095 119.243 119.300 0.063 0.000 2.422 334 C HA -0.125 4.335 4.460 -0.001 0.000 0.286 334 C C 2.161 177.207 174.990 0.093 0.000 1.412 334 C CA 0.716 59.790 59.018 0.093 0.000 1.786 334 C CB -0.930 26.852 27.740 0.070 0.000 1.835 334 C HN 0.324 nan 8.230 nan 0.000 0.533 335 K N -0.077 120.391 120.400 0.112 0.000 2.500 335 K HA 0.236 4.555 4.320 -0.001 0.000 0.206 335 K C 1.340 178.044 176.600 0.174 0.000 1.034 335 K CA 0.555 56.931 56.287 0.148 0.000 1.179 335 K CB 0.032 32.658 32.500 0.210 0.000 0.884 335 K HN 0.458 nan 8.250 nan 0.000 0.493 336 G N 1.341 110.215 108.800 0.122 0.000 2.189 336 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.267 336 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.267 336 G C 0.420 175.340 174.900 0.033 0.000 0.975 336 G CA 0.192 45.350 45.100 0.096 0.000 0.644 336 G HN 0.484 nan 8.290 nan 0.000 0.537 337 C N 1.047 120.364 119.300 0.028 0.000 2.596 337 C HA 0.479 4.939 4.460 -0.001 0.000 0.414 337 C C 2.003 176.897 174.990 -0.160 0.000 1.396 337 C CA 0.367 59.301 59.018 -0.140 0.000 1.698 337 C CB 0.074 27.551 27.740 -0.439 0.000 2.572 337 C HN 0.502 nan 8.230 nan 0.000 0.604 338 R N 2.925 123.304 120.500 -0.202 0.000 2.195 338 R HA 0.152 4.492 4.340 -0.001 0.000 0.197 338 R C 0.328 176.579 176.300 -0.081 0.000 0.990 338 R CA 0.539 56.564 56.100 -0.125 0.000 1.048 338 R CB -0.491 29.695 30.300 -0.190 0.000 0.997 338 R HN 0.697 nan 8.270 nan 0.000 0.502 339 C N 3.319 122.551 119.300 -0.112 0.000 2.239 339 C HA 0.559 5.018 4.460 -0.001 0.000 0.325 339 C C 0.343 175.282 174.990 -0.085 0.000 1.231 339 C CA -0.900 58.090 59.018 -0.046 0.000 1.652 339 C CB -0.356 27.386 27.740 0.003 0.000 2.284 339 C HN 0.192 nan 8.230 nan 0.000 0.499 340 L N 2.775 123.981 121.223 -0.027 0.000 2.331 340 L HA 0.609 4.949 4.340 -0.001 0.000 0.275 340 L C 0.049 176.965 176.870 0.077 0.000 1.022 340 L CA -0.407 54.435 54.840 0.002 0.000 0.812 340 L CB 1.205 43.338 42.059 0.123 0.000 1.257 340 L HN 0.573 nan 8.230 nan 0.000 0.435 341 E N 2.211 122.457 120.200 0.078 0.000 2.183 341 E HA 0.603 4.952 4.350 -0.001 0.000 0.271 341 E C -1.500 175.285 176.600 0.310 0.000 0.919 341 E CA -0.736 55.740 56.400 0.127 0.000 0.781 341 E CB 2.288 32.000 29.700 0.019 0.000 1.140 341 E HN 0.238 nan 8.360 nan 0.000 0.402 342 L N 3.258 124.640 121.223 0.266 0.000 2.406 342 L HA 0.288 4.628 4.340 -0.001 0.000 0.270 342 L C -1.079 175.893 176.870 0.170 0.000 0.982 342 L CA -0.579 54.424 54.840 0.271 0.000 0.843 342 L CB 1.502 43.681 42.059 0.200 0.000 1.225 342 L HN 0.372 nan 8.230 nan 0.000 0.412 343 D N 2.244 122.690 120.400 0.076 0.000 2.428 343 D HA 0.272 4.912 4.640 -0.001 0.000 0.221 343 D C -0.560 175.841 176.300 0.168 0.000 1.123 343 D CA -0.129 53.940 54.000 0.115 0.000 0.869 343 D CB 0.860 41.752 40.800 0.153 0.000 1.032 343 D HN 0.377 nan 8.370 nan 0.000 0.506 344 C N 3.272 122.615 119.300 0.071 0.000 2.415 344 C HA 0.534 4.994 4.460 -0.001 0.000 0.369 344 C C -0.010 174.883 174.990 -0.162 0.000 1.279 344 C CA -0.885 58.156 59.018 0.038 0.000 1.886 344 C CB -0.976 26.718 27.740 -0.077 0.000 2.468 344 C HN 0.555 nan 8.230 nan 0.000 0.553 345 W N 0.421 121.766 121.300 0.076 0.000 2.992 345 W HA 0.387 5.047 4.660 -0.000 0.000 0.342 345 W C -0.478 176.066 176.519 0.041 0.000 1.176 345 W CA -0.643 56.753 57.345 0.085 0.000 1.118 345 W CB 0.444 29.989 29.460 0.141 0.000 1.457 345 W HN 0.445 nan 8.180 nan 0.000 0.573 346 D N 0.629 121.192 120.400 0.272 0.000 2.389 346 D HA 0.417 5.057 4.640 -0.001 0.000 0.247 346 D C 0.221 176.599 176.300 0.130 0.000 1.128 346 D CA 0.545 54.631 54.000 0.143 0.000 0.884 346 D CB 1.274 42.142 40.800 0.112 0.000 1.194 346 D HN 0.490 nan 8.370 nan 0.000 0.441 347 G N 1.480 110.328 108.800 0.080 0.000 2.537 347 G HA2 0.521 4.481 3.960 -0.001 0.000 0.308 347 G HA3 0.521 4.481 3.960 -0.001 0.000 0.308 347 G C -2.797 172.122 174.900 0.031 0.000 1.237 347 G CA -1.482 43.647 45.100 0.048 0.000 0.968 347 G HN 0.158 nan 8.290 nan 0.000 0.481 348 P HA 0.073 nan 4.420 nan 0.000 0.262 348 P C -0.111 177.200 177.300 0.019 0.000 1.182 348 P CA 0.540 63.647 63.100 0.011 0.000 0.761 348 P CB 0.145 31.845 31.700 0.000 0.000 0.795 349 N N 2.375 121.086 118.700 0.018 0.000 2.780 349 N HA -0.197 4.543 4.740 -0.001 0.000 0.247 349 N C -0.320 175.204 175.510 0.025 0.000 1.076 349 N CA -0.058 53.004 53.050 0.019 0.000 0.688 349 N CB -1.067 37.431 38.487 0.019 0.000 0.957 349 N HN 0.458 nan 8.380 nan 0.000 0.551 350 Q N -3.003 116.810 119.800 0.022 0.000 2.452 350 Q HA -0.220 4.120 4.340 -0.001 0.000 0.248 350 Q C -0.814 175.208 176.000 0.037 0.000 0.874 350 Q CA 1.452 57.267 55.803 0.019 0.000 1.208 350 Q CB -0.939 27.803 28.738 0.007 0.000 1.569 350 Q HN 0.641 nan 8.270 nan 0.000 0.579 351 E N 1.186 121.421 120.200 0.058 0.000 2.114 351 E HA 0.332 4.682 4.350 -0.001 0.000 0.266 351 E C -2.202 174.451 176.600 0.089 0.000 0.896 351 E CA -1.930 54.531 56.400 0.100 0.000 0.750 351 E CB 1.396 31.159 29.700 0.105 0.000 1.121 351 E HN 0.034 nan 8.360 nan 0.000 0.413 352 P HA 0.104 nan 4.420 nan 0.000 0.269 352 P C 0.069 177.454 177.300 0.142 0.000 1.209 352 P CA 0.086 63.224 63.100 0.063 0.000 0.776 352 P CB 0.693 32.333 31.700 -0.100 0.000 0.876 353 I N -0.992 119.679 120.570 0.169 0.000 3.108 353 I HA 0.648 4.818 4.170 -0.001 0.000 0.312 353 I C -0.516 175.759 176.117 0.264 0.000 1.095 353 I CA -1.664 59.747 61.300 0.185 0.000 1.000 353 I CB 2.154 40.222 38.000 0.112 0.000 1.229 353 I HN 0.095 nan 8.210 nan 0.000 0.454 354 I N 2.932 123.622 120.570 0.201 0.000 2.498 354 I HA 0.592 4.761 4.170 -0.001 0.000 0.290 354 I C -1.210 174.940 176.117 0.054 0.000 1.032 354 I CA -0.564 60.800 61.300 0.106 0.000 1.073 354 I CB 1.993 39.996 38.000 0.004 0.000 1.251 354 I HN 0.780 nan 8.210 nan 0.000 0.426 355 Y N 3.784 123.869 120.300 -0.358 0.000 2.810 355 Y HA 0.317 4.867 4.550 0.000 0.000 0.355 355 Y C -1.462 174.299 175.900 -0.233 0.000 1.211 355 Y CA -1.297 56.628 58.100 -0.293 0.000 1.112 355 Y CB 0.741 39.098 38.460 -0.172 0.000 1.383 355 Y HN 0.533 nan 8.280 nan 0.000 0.458 356 H N 1.596 120.363 119.070 -0.505 0.000 2.846 356 H HA 0.451 5.006 4.556 -0.001 0.000 0.278 356 H C 0.663 175.269 175.328 -1.202 0.000 1.117 356 H CA -0.218 55.532 56.048 -0.497 0.000 1.406 356 H CB 0.491 30.227 29.762 -0.043 0.000 1.445 356 H HN 1.144 nan 8.280 nan 0.000 0.469 357 G N 3.582 111.483 108.800 -1.498 0.000 2.257 357 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.235 357 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.235 357 G C -0.649 173.525 174.900 -1.210 0.000 1.225 357 G CA 0.035 43.897 45.100 -2.063 0.000 0.878 357 G HN 0.897 nan 8.290 nan 0.000 0.505 358 Y N -1.004 118.947 120.300 -0.581 0.000 3.389 358 Y HA -0.245 4.305 4.550 -0.001 0.000 0.213 358 Y C 1.296 176.986 175.900 -0.349 0.000 1.272 358 Y CA 0.866 58.756 58.100 -0.349 0.000 1.444 358 Y CB -2.655 35.632 38.460 -0.287 0.000 1.445 358 Y HN 1.180 nan 8.280 nan 0.000 0.583 359 T N -5.450 108.983 114.554 -0.202 0.000 2.787 359 T HA 0.695 5.045 4.350 -0.001 0.000 0.297 359 T C -0.101 174.532 174.700 -0.113 0.000 1.221 359 T CA -0.887 61.074 62.100 -0.232 0.000 1.006 359 T CB 0.832 69.587 68.868 -0.189 0.000 1.328 359 T HN -0.173 nan 8.240 nan 0.000 0.509 360 F N 1.886 121.863 119.950 0.044 0.000 2.676 360 F HA 0.234 4.761 4.527 0.000 0.000 0.300 360 F C 1.724 177.567 175.800 0.070 0.000 1.160 360 F CA -0.565 57.460 58.000 0.042 0.000 1.401 360 F CB -1.003 38.011 39.000 0.023 0.000 1.037 360 F HN 0.731 nan 8.300 nan 0.000 0.522 361 T N -2.220 112.496 114.554 0.270 0.000 2.916 361 T HA 0.158 4.508 4.350 -0.001 0.000 0.303 361 T C 0.639 175.483 174.700 0.240 0.000 1.025 361 T CA -0.634 61.617 62.100 0.252 0.000 1.142 361 T CB 1.240 70.276 68.868 0.279 0.000 0.947 361 T HN 0.192 nan 8.240 nan 0.000 0.544 362 S N 2.320 118.122 115.700 0.170 0.000 2.563 362 S HA 0.139 4.609 4.470 -0.001 0.000 0.284 362 S C -0.117 174.562 174.600 0.133 0.000 1.331 362 S CA -0.254 58.014 58.200 0.114 0.000 1.047 362 S CB -0.118 63.134 63.200 0.087 0.000 0.859 362 S HN 0.736 nan 8.310 nan 0.000 0.514 363 K N 2.855 123.283 120.400 0.046 0.000 2.156 363 K HA 0.698 5.017 4.320 -0.001 0.000 0.254 363 K C -0.324 176.303 176.600 0.045 0.000 0.950 363 K CA -0.691 55.614 56.287 0.030 0.000 0.849 363 K CB 1.407 33.826 32.500 -0.136 0.000 1.100 363 K HN 0.733 nan 8.250 nan 0.000 0.434 364 I N -1.359 119.253 120.570 0.070 0.000 2.969 364 I HA 0.426 4.596 4.170 -0.001 0.000 0.307 364 I C -0.921 175.231 176.117 0.058 0.000 1.149 364 I CA -1.434 59.902 61.300 0.060 0.000 1.008 364 I CB 1.372 39.423 38.000 0.085 0.000 1.232 364 I HN 0.359 nan 8.210 nan 0.000 0.435 365 L N 2.604 123.847 121.223 0.033 0.000 2.380 365 L HA 0.187 4.527 4.340 -0.001 0.000 0.273 365 L C 0.889 177.776 176.870 0.028 0.000 1.138 365 L CA -0.081 54.783 54.840 0.040 0.000 0.832 365 L CB 0.768 42.828 42.059 0.002 0.000 1.124 365 L HN 0.693 nan 8.230 nan 0.000 0.454 366 F N 2.983 122.889 119.950 -0.075 0.000 2.126 366 F HA -0.278 4.248 4.527 -0.001 0.000 0.299 366 F C 2.511 178.189 175.800 -0.203 0.000 1.096 366 F CA 1.918 59.856 58.000 -0.104 0.000 1.255 366 F CB -0.053 38.922 39.000 -0.042 0.000 0.997 366 F HN 0.727 nan 8.300 nan 0.000 0.479 367 C N -0.331 118.836 119.300 -0.222 0.000 2.440 367 C HA -0.118 4.342 4.460 -0.001 0.000 0.278 367 C C 2.452 177.257 174.990 -0.309 0.000 1.295 367 C CA 0.856 59.602 59.018 -0.453 0.000 1.738 367 C CB -1.321 25.984 27.740 -0.725 0.000 1.987 367 C HN 0.428 nan 8.230 nan 0.000 0.492 368 D N 1.368 121.642 120.400 -0.210 0.000 2.084 368 D HA -0.093 4.547 4.640 -0.001 0.000 0.194 368 D C 2.449 178.628 176.300 -0.202 0.000 0.990 368 D CA 1.535 55.445 54.000 -0.149 0.000 0.826 368 D CB -0.530 40.219 40.800 -0.083 0.000 0.971 368 D HN 0.411 nan 8.370 nan 0.000 0.453 369 V N 1.159 120.904 119.914 -0.281 0.000 2.380 369 V HA -0.225 3.895 4.120 -0.001 0.000 0.251 369 V C 2.540 178.330 176.094 -0.507 0.000 1.063 369 V CA 1.167 63.199 62.300 -0.447 0.000 1.055 369 V CB -0.365 31.113 31.823 -0.574 0.000 0.657 369 V HN 0.254 nan 8.190 nan 0.000 0.455 370 L N -0.988 119.933 121.223 -0.502 0.000 2.217 370 L HA -0.096 4.244 4.340 -0.001 0.000 0.211 370 L C 2.696 179.428 176.870 -0.230 0.000 1.107 370 L CA 1.239 55.833 54.840 -0.411 0.000 0.783 370 L CB -0.482 41.313 42.059 -0.440 0.000 0.919 370 L HN 0.277 nan 8.230 nan 0.000 0.442 371 R N -0.076 120.315 120.500 -0.182 0.000 2.073 371 R HA -0.056 4.284 4.340 -0.001 0.000 0.229 371 R C 2.485 178.759 176.300 -0.043 0.000 1.120 371 R CA 1.177 57.223 56.100 -0.091 0.000 0.967 371 R CB -0.364 29.895 30.300 -0.068 0.000 0.862 371 R HN 0.287 nan 8.270 nan 0.000 0.436 372 A N 1.462 124.250 122.820 -0.053 0.000 1.858 372 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 372 A C 2.162 179.788 177.584 0.070 0.000 1.190 372 A CA 1.306 53.367 52.037 0.040 0.000 0.617 372 A CB -0.576 18.406 19.000 -0.029 0.000 0.827 372 A HN 0.176 nan 8.150 nan 0.000 0.443 373 I N -0.900 119.620 120.570 -0.083 0.000 2.264 373 I HA -0.268 3.901 4.170 -0.001 0.000 0.248 373 I C 2.743 178.817 176.117 -0.071 0.000 1.111 373 I CA 1.644 62.889 61.300 -0.092 0.000 1.382 373 I CB -0.333 37.543 38.000 -0.207 0.000 1.060 373 I HN 0.395 nan 8.210 nan 0.000 0.418 374 R N 0.993 121.454 120.500 -0.066 0.000 2.081 374 R HA -0.199 4.141 4.340 -0.001 0.000 0.235 374 R C 1.723 178.005 176.300 -0.030 0.000 1.131 374 R CA 2.032 58.108 56.100 -0.041 0.000 0.960 374 R CB -0.203 30.079 30.300 -0.030 0.000 0.856 374 R HN 0.303 nan 8.270 nan 0.000 0.436 375 D N -0.644 119.744 120.400 -0.020 0.000 2.144 375 D HA -0.147 4.492 4.640 -0.001 0.000 0.200 375 D C 1.080 177.191 176.300 -0.314 0.000 0.978 375 D CA 1.351 55.273 54.000 -0.131 0.000 0.833 375 D CB -0.081 40.654 40.800 -0.108 0.000 0.961 375 D HN 0.368 nan 8.370 nan 0.000 0.470 376 Y N -0.008 120.257 120.300 -0.059 0.000 2.467 376 Y HA 0.418 4.968 4.550 -0.001 0.000 0.250 376 Y C 2.018 177.836 175.900 -0.136 0.000 1.155 376 Y CA -0.175 57.889 58.100 -0.060 0.000 1.249 376 Y CB -0.036 38.401 38.460 -0.038 0.000 1.146 376 Y HN -0.132 nan 8.280 nan 0.000 0.524 377 A N 0.297 123.025 122.820 -0.154 0.000 1.927 377 A HA -0.221 4.098 4.320 -0.001 0.000 0.220 377 A C 1.068 178.214 177.584 -0.731 0.000 1.185 377 A CA 2.026 53.742 52.037 -0.534 0.000 0.639 377 A CB -0.884 17.599 19.000 -0.861 0.000 0.820 377 A HN 0.407 nan 8.150 nan 0.000 0.451 378 F N -1.406 118.565 119.950 0.035 0.000 2.735 378 F HA 0.298 4.825 4.527 -0.001 0.000 0.304 378 F C 1.540 177.354 175.800 0.022 0.000 1.119 378 F CA -0.624 57.391 58.000 0.024 0.000 1.280 378 F CB 0.498 39.492 39.000 -0.011 0.000 0.994 378 F HN -0.070 nan 8.300 nan 0.000 0.520 379 K N 0.866 121.328 120.400 0.103 0.000 2.025 379 K HA 0.031 4.351 4.320 -0.001 0.000 0.207 379 K C 2.046 178.712 176.600 0.110 0.000 1.049 379 K CA 1.347 57.686 56.287 0.087 0.000 0.933 379 K CB -0.445 32.109 32.500 0.091 0.000 0.714 379 K HN 0.292 nan 8.250 nan 0.000 0.438 380 A N -0.060 122.833 122.820 0.122 0.000 2.220 380 A HA 0.101 4.421 4.320 -0.001 0.000 0.211 380 A C 0.716 178.394 177.584 0.156 0.000 1.176 380 A CA 0.277 52.389 52.037 0.125 0.000 0.834 380 A CB 0.278 19.347 19.000 0.115 0.000 0.868 380 A HN 0.190 nan 8.150 nan 0.000 0.488 381 S N -1.360 114.456 115.700 0.193 0.000 2.558 381 S HA 0.459 4.929 4.470 -0.001 0.000 0.277 381 S C -2.839 171.942 174.600 0.302 0.000 1.143 381 S CA -0.459 57.897 58.200 0.260 0.000 0.865 381 S CB 1.747 65.137 63.200 0.318 0.000 1.102 381 S HN -0.040 nan 8.310 nan 0.000 0.454 382 P HA 0.163 nan 4.420 nan 0.000 0.251 382 P C -0.198 176.983 177.300 -0.199 0.000 1.223 382 P CA 0.093 63.151 63.100 -0.070 0.000 0.796 382 P CB -0.085 31.431 31.700 -0.307 0.000 1.068 383 Y N 2.857 123.288 120.300 0.218 0.000 2.326 383 Y HA 0.198 4.747 4.550 -0.001 0.000 0.333 383 Y C -1.337 174.780 175.900 0.362 0.000 1.240 383 Y CA -2.515 55.683 58.100 0.163 0.000 1.365 383 Y CB -0.684 37.869 38.460 0.155 0.000 1.289 383 Y HN -0.050 nan 8.280 nan 0.000 0.548 384 P HA -0.048 nan 4.420 nan 0.000 0.264 384 P C -0.589 176.959 177.300 0.414 0.000 1.183 384 P CA 0.215 63.548 63.100 0.388 0.000 0.763 384 P CB 0.930 32.738 31.700 0.180 0.000 0.807 385 V N 4.312 124.395 119.914 0.282 0.000 2.483 385 V HA 0.503 4.622 4.120 -0.001 0.000 0.295 385 V C -0.358 175.814 176.094 0.130 0.000 1.035 385 V CA -0.925 61.448 62.300 0.122 0.000 0.896 385 V CB 0.872 32.651 31.823 -0.074 0.000 0.986 385 V HN 0.309 nan 8.190 nan 0.000 0.447 386 I N 6.387 127.025 120.570 0.114 0.000 2.354 386 I HA 0.394 4.563 4.170 -0.001 0.000 0.292 386 I C -0.409 175.755 176.117 0.078 0.000 0.989 386 I CA -0.547 60.824 61.300 0.118 0.000 1.188 386 I CB 1.714 39.798 38.000 0.141 0.000 1.342 386 I HN 0.467 nan 8.210 nan 0.000 0.457 387 L N 6.175 127.444 121.223 0.077 0.000 2.277 387 L HA 0.314 4.654 4.340 -0.001 0.000 0.284 387 L C 0.045 176.964 176.870 0.082 0.000 1.028 387 L CA -0.461 54.419 54.840 0.066 0.000 0.835 387 L CB 1.111 43.194 42.059 0.040 0.000 1.215 387 L HN 0.632 nan 8.230 nan 0.000 0.425 388 S N 4.618 120.370 115.700 0.087 0.000 2.422 388 S HA 0.524 4.994 4.470 -0.001 0.000 0.283 388 S C -0.250 174.400 174.600 0.083 0.000 1.163 388 S CA -0.728 57.522 58.200 0.083 0.000 1.054 388 S CB 0.490 63.741 63.200 0.084 0.000 0.967 388 S HN 0.411 nan 8.310 nan 0.000 0.499 389 L N 2.948 124.209 121.223 0.064 0.000 2.275 389 L HA 0.470 4.810 4.340 -0.001 0.000 0.288 389 L C 0.549 177.407 176.870 -0.020 0.000 1.046 389 L CA -0.305 54.565 54.840 0.051 0.000 0.805 389 L CB 1.024 43.112 42.059 0.048 0.000 1.193 389 L HN 0.724 nan 8.230 nan 0.000 0.426 390 E N 4.453 124.627 120.200 -0.043 0.000 2.173 390 E HA 0.122 4.472 4.350 -0.001 0.000 0.249 390 E C -0.733 175.656 176.600 -0.352 0.000 0.923 390 E CA -0.347 55.959 56.400 -0.157 0.000 0.754 390 E CB 0.712 30.390 29.700 -0.037 0.000 1.177 390 E HN 0.577 nan 8.360 nan 0.000 0.430 391 N N 3.319 121.761 118.700 -0.430 0.000 2.430 391 N HA 0.037 4.776 4.740 -0.001 0.000 0.265 391 N C -0.084 174.952 175.510 -0.790 0.000 1.100 391 N CA -0.073 52.685 53.050 -0.487 0.000 0.961 391 N CB 0.501 38.806 38.487 -0.304 0.000 1.075 391 N HN 0.630 nan 8.380 nan 0.000 0.478 392 H N 1.553 120.282 119.070 -0.570 0.000 3.058 392 H HA 0.134 4.690 4.556 -0.000 0.000 0.266 392 H C 0.295 175.391 175.328 -0.387 0.000 1.135 392 H CA -0.322 55.328 56.048 -0.665 0.000 1.174 392 H CB 0.214 29.058 29.762 -1.530 0.000 1.581 392 H HN 0.434 nan 8.280 nan 0.000 0.553 393 C N 2.911 122.086 119.300 -0.208 0.000 2.700 393 C HA 0.193 4.653 4.460 -0.001 0.000 0.397 393 C C 1.577 176.510 174.990 -0.094 0.000 1.301 393 C CA -0.188 58.760 59.018 -0.116 0.000 2.219 393 C CB 0.560 28.209 27.740 -0.151 0.000 2.699 393 C HN 0.573 nan 8.230 nan 0.000 0.669 394 S N 1.968 117.636 115.700 -0.052 0.000 2.617 394 S HA 0.246 4.716 4.470 -0.001 0.000 0.259 394 S C 0.922 175.484 174.600 -0.063 0.000 1.301 394 S CA -0.569 57.606 58.200 -0.043 0.000 0.984 394 S CB 0.230 63.419 63.200 -0.018 0.000 0.954 394 S HN 0.615 nan 8.310 nan 0.000 0.572 395 L N -0.057 121.133 121.223 -0.054 0.000 2.191 395 L HA -0.086 4.254 4.340 -0.001 0.000 0.212 395 L C 2.818 179.651 176.870 -0.061 0.000 1.103 395 L CA 1.555 56.359 54.840 -0.060 0.000 0.769 395 L CB -0.563 41.466 42.059 -0.049 0.000 0.908 395 L HN 0.765 nan 8.230 nan 0.000 0.438 396 E N 0.212 120.382 120.200 -0.050 0.000 2.076 396 E HA -0.173 4.176 4.350 -0.001 0.000 0.190 396 E C 2.136 178.698 176.600 -0.063 0.000 0.979 396 E CA 1.235 57.605 56.400 -0.050 0.000 0.807 396 E CB 0.031 29.710 29.700 -0.034 0.000 0.761 396 E HN 0.384 nan 8.360 nan 0.000 0.454 397 Q N -0.292 119.470 119.800 -0.064 0.000 2.297 397 Q HA -0.070 4.269 4.340 -0.001 0.000 0.204 397 Q C 2.081 177.999 176.000 -0.137 0.000 0.962 397 Q CA 0.786 56.540 55.803 -0.081 0.000 0.879 397 Q CB 0.076 28.781 28.738 -0.055 0.000 0.947 397 Q HN 0.446 nan 8.270 nan 0.000 0.462 398 Q N 0.142 119.861 119.800 -0.135 0.000 2.167 398 Q HA -0.100 4.239 4.340 -0.001 0.000 0.202 398 Q C 1.952 177.866 176.000 -0.144 0.000 0.970 398 Q CA 0.851 56.556 55.803 -0.163 0.000 0.855 398 Q CB 0.064 28.722 28.738 -0.132 0.000 0.911 398 Q HN 0.280 nan 8.270 nan 0.000 0.438 399 R N -0.112 120.321 120.500 -0.112 0.000 2.092 399 R HA -0.075 4.265 4.340 -0.001 0.000 0.231 399 R C 2.287 178.514 176.300 -0.122 0.000 1.119 399 R CA 1.141 57.182 56.100 -0.099 0.000 0.970 399 R CB -0.317 29.935 30.300 -0.080 0.000 0.864 399 R HN 0.106 nan 8.270 nan 0.000 0.440 400 V N 1.534 121.365 119.914 -0.138 0.000 2.343 400 V HA -0.265 3.855 4.120 -0.001 0.000 0.247 400 V C 2.399 178.383 176.094 -0.184 0.000 1.051 400 V CA 1.731 63.918 62.300 -0.188 0.000 1.036 400 V CB -0.409 31.342 31.823 -0.120 0.000 0.654 400 V HN 0.291 nan 8.190 nan 0.000 0.451 401 M N -0.096 119.386 119.600 -0.197 0.000 2.065 401 M HA -0.198 4.282 4.480 -0.001 0.000 0.259 401 M C 2.445 178.740 176.300 -0.008 0.000 1.069 401 M CA 2.349 57.456 55.300 -0.322 0.000 1.110 401 M CB -0.635 31.590 32.600 -0.624 0.000 1.328 401 M HN 0.405 nan 8.290 nan 0.000 0.405 402 A N 0.361 123.147 122.820 -0.057 0.000 1.908 402 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 402 A C 2.122 179.718 177.584 0.020 0.000 1.181 402 A CA 1.515 53.552 52.037 -0.001 0.000 0.627 402 A CB -0.568 18.409 19.000 -0.038 0.000 0.818 402 A HN 0.371 nan 8.150 nan 0.000 0.445 403 R N -0.719 119.757 120.500 -0.041 0.000 2.092 403 R HA -0.088 4.252 4.340 -0.001 0.000 0.231 403 R C 1.943 178.245 176.300 0.003 0.000 1.119 403 R CA 1.506 57.568 56.100 -0.063 0.000 0.970 403 R CB -1.076 29.128 30.300 -0.159 0.000 0.864 403 R HN 0.681 nan 8.270 nan 0.000 0.440 404 H N 0.853 119.984 119.070 0.102 0.000 2.389 404 H HA 0.040 4.595 4.556 -0.001 0.000 0.299 404 H C 2.289 177.693 175.328 0.128 0.000 1.081 404 H CA 0.897 57.031 56.048 0.142 0.000 1.345 404 H CB -0.180 29.753 29.762 0.284 0.000 1.393 404 H HN 0.081 nan 8.280 nan 0.000 0.520 405 L N 0.232 121.639 121.223 0.306 0.000 1.989 405 L HA -0.200 4.140 4.340 -0.001 0.000 0.211 405 L C 2.818 179.753 176.870 0.108 0.000 1.071 405 L CA 1.393 56.347 54.840 0.190 0.000 0.749 405 L CB -0.244 41.930 42.059 0.192 0.000 0.890 405 L HN 0.146 nan 8.230 nan 0.000 0.431 406 R N -0.639 119.914 120.500 0.088 0.000 2.092 406 R HA -0.087 4.252 4.340 -0.001 0.000 0.231 406 R C 2.300 178.631 176.300 0.051 0.000 1.119 406 R CA 1.184 57.316 56.100 0.053 0.000 0.970 406 R CB -0.342 29.977 30.300 0.032 0.000 0.864 406 R HN 0.368 nan 8.270 nan 0.000 0.440 407 A N 0.729 123.589 122.820 0.067 0.000 1.930 407 A HA -0.016 4.304 4.320 -0.001 0.000 0.215 407 A C 2.031 179.652 177.584 0.063 0.000 1.176 407 A CA 0.852 52.927 52.037 0.062 0.000 0.632 407 A CB -0.141 18.903 19.000 0.074 0.000 0.819 407 A HN 0.125 nan 8.150 nan 0.000 0.445 408 I N -0.679 119.936 120.570 0.075 0.000 2.429 408 I HA -0.093 4.076 4.170 -0.001 0.000 0.247 408 I C 2.194 178.324 176.117 0.022 0.000 1.099 408 I CA 0.743 62.066 61.300 0.038 0.000 1.422 408 I CB -0.284 37.721 38.000 0.009 0.000 1.112 408 I HN 0.215 nan 8.210 nan 0.000 0.430 409 L N 0.439 121.679 121.223 0.028 0.000 2.179 409 L HA 0.087 4.427 4.340 -0.001 0.000 0.208 409 L C 1.724 178.619 176.870 0.042 0.000 1.096 409 L CA 0.770 55.629 54.840 0.032 0.000 0.779 409 L CB -1.104 40.977 42.059 0.037 0.000 0.922 409 L HN 0.491 nan 8.230 nan 0.000 0.443 410 G N 0.943 109.766 108.800 0.038 0.000 2.596 410 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.295 410 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.295 410 G C -1.364 173.554 174.900 0.030 0.000 1.240 410 G CA 0.271 45.390 45.100 0.031 0.000 0.985 410 G HN 0.242 nan 8.290 nan 0.000 0.555 411 P HA 0.009 nan 4.420 nan 0.000 0.222 411 P C 2.135 179.449 177.300 0.023 0.000 1.147 411 P CA 1.668 64.777 63.100 0.015 0.000 0.790 411 P CB -0.073 31.628 31.700 0.001 0.000 0.780 412 I N -0.828 119.771 120.570 0.047 0.000 2.264 412 I HA -0.189 3.981 4.170 -0.001 0.000 0.248 412 I C 1.525 177.700 176.117 0.097 0.000 1.111 412 I CA 0.457 61.810 61.300 0.089 0.000 1.382 412 I CB -0.554 37.553 38.000 0.179 0.000 1.060 412 I HN -0.005 nan 8.210 nan 0.000 0.418 413 L N 1.527 122.796 121.223 0.077 0.000 2.455 413 L HA 0.101 4.440 4.340 -0.001 0.000 0.272 413 L C -0.177 176.727 176.870 0.058 0.000 1.174 413 L CA 0.142 55.025 54.840 0.073 0.000 0.869 413 L CB 0.725 42.818 42.059 0.058 0.000 1.130 413 L HN 0.021 nan 8.230 nan 0.000 0.474 414 L N 5.795 127.060 121.223 0.069 0.000 2.334 414 L HA 0.249 4.588 4.340 -0.001 0.000 0.286 414 L C 0.930 177.818 176.870 0.031 0.000 1.108 414 L CA 0.333 55.210 54.840 0.061 0.000 0.875 414 L CB -0.077 42.044 42.059 0.104 0.000 1.246 414 L HN 0.844 nan 8.230 nan 0.000 0.439 415 D N 2.526 122.934 120.400 0.014 0.000 2.327 415 D HA -0.034 4.606 4.640 -0.001 0.000 0.205 415 D C 0.148 176.429 176.300 -0.032 0.000 0.989 415 D CA 0.484 54.480 54.000 -0.007 0.000 0.873 415 D CB 0.424 41.223 40.800 -0.002 0.000 0.955 415 D HN 0.505 nan 8.370 nan 0.000 0.515 416 Q N 0.660 120.445 119.800 -0.025 0.000 2.413 416 Q HA 0.383 4.723 4.340 -0.001 0.000 0.276 416 Q C -2.535 173.442 176.000 -0.038 0.000 1.099 416 Q CA -1.894 53.884 55.803 -0.042 0.000 0.814 416 Q CB 3.103 31.829 28.738 -0.021 0.000 1.379 416 Q HN 0.067 nan 8.270 nan 0.000 0.436 417 P HA 0.128 nan 4.420 nan 0.000 0.272 417 P C -0.688 176.678 177.300 0.110 0.000 1.240 417 P CA -0.122 62.962 63.100 -0.027 0.000 0.791 417 P CB 0.796 32.449 31.700 -0.079 0.000 0.978 418 L N 1.021 122.394 121.223 0.251 0.000 2.292 418 L HA 0.269 4.609 4.340 -0.001 0.000 0.284 418 L C 0.934 177.875 176.870 0.117 0.000 1.065 418 L CA -0.676 54.260 54.840 0.160 0.000 0.806 418 L CB 0.332 42.480 42.059 0.148 0.000 1.175 418 L HN 0.358 nan 8.230 nan 0.000 0.431 419 D N 1.639 122.078 120.400 0.065 0.000 2.443 419 D HA 0.306 4.946 4.640 -0.001 0.000 0.239 419 D C 1.044 177.370 176.300 0.042 0.000 1.136 419 D CA 1.503 55.532 54.000 0.047 0.000 0.879 419 D CB 1.260 42.076 40.800 0.027 0.000 1.195 419 D HN 0.720 nan 8.370 nan 0.000 0.443 420 G N 1.992 110.817 108.800 0.040 0.000 2.383 420 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.229 420 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.229 420 G C 0.287 175.202 174.900 0.026 0.000 1.089 420 G CA 0.184 45.299 45.100 0.025 0.000 0.640 420 G HN 0.670 nan 8.290 nan 0.000 0.510 421 V N 2.843 122.786 119.914 0.048 0.000 2.421 421 V HA 0.498 4.617 4.120 -0.001 0.000 0.271 421 V C 1.346 177.522 176.094 0.137 0.000 1.031 421 V CA 1.711 64.036 62.300 0.043 0.000 1.032 421 V CB 0.653 32.509 31.823 0.056 0.000 1.009 421 V HN 1.091 nan 8.190 nan 0.000 0.477 422 T N -0.779 113.819 114.554 0.074 0.000 3.151 422 T HA -0.044 4.306 4.350 -0.001 0.000 0.257 422 T C 1.350 176.130 174.700 0.134 0.000 0.872 422 T CA 0.640 62.856 62.100 0.194 0.000 0.873 422 T CB 0.402 69.346 68.868 0.127 0.000 1.272 422 T HN 0.515 nan 8.240 nan 0.000 0.543 423 T N 0.768 115.222 114.554 -0.167 0.000 3.015 423 T HA 0.500 4.850 4.350 -0.001 0.000 0.250 423 T C 0.349 174.553 174.700 -0.827 0.000 1.057 423 T CA 0.481 62.422 62.100 -0.265 0.000 1.066 423 T CB 0.062 68.862 68.868 -0.115 0.000 0.959 423 T HN 0.351 nan 8.240 nan 0.000 0.488 424 S N -0.441 114.559 115.700 -1.166 0.000 2.625 424 S HA 0.583 5.053 4.470 -0.001 0.000 0.271 424 S C -1.292 172.769 174.600 -0.898 0.000 1.161 424 S CA -0.825 56.682 58.200 -1.156 0.000 0.820 424 S CB 1.352 64.270 63.200 -0.469 0.000 1.137 424 S HN 0.329 nan 8.310 nan 0.000 0.470 425 L N 3.492 124.527 121.223 -0.313 0.000 2.485 425 L HA 0.226 4.566 4.340 -0.001 0.000 0.275 425 L C -1.683 175.033 176.870 -0.256 0.000 1.207 425 L CA -1.186 53.613 54.840 -0.067 0.000 0.855 425 L CB 0.202 42.309 42.059 0.081 0.000 1.114 425 L HN 0.435 nan 8.230 nan 0.000 0.485 426 P HA 0.034 nan 4.420 nan 0.000 0.280 426 P C -0.704 176.457 177.300 -0.231 0.000 1.278 426 P CA -0.440 62.471 63.100 -0.315 0.000 0.787 426 P CB 0.528 31.991 31.700 -0.394 0.000 1.163 427 S N -1.983 113.600 115.700 -0.195 0.000 2.722 427 S HA 0.429 4.899 4.470 -0.001 0.000 0.292 427 S C -2.008 172.432 174.600 -0.268 0.000 1.135 427 S CA -1.436 56.643 58.200 -0.203 0.000 1.003 427 S CB 0.986 64.105 63.200 -0.135 0.000 1.067 427 S HN 0.145 nan 8.310 nan 0.000 0.546 428 P HA -0.030 nan 4.420 nan 0.000 0.217 428 P C 1.411 178.642 177.300 -0.116 0.000 1.150 428 P CA 0.883 63.693 63.100 -0.483 0.000 0.832 428 P CB 0.090 31.226 31.700 -0.940 0.000 0.787 429 E N -0.085 120.082 120.200 -0.055 0.000 2.085 429 E HA -0.209 4.141 4.350 -0.001 0.000 0.194 429 E C 2.004 178.557 176.600 -0.079 0.000 0.994 429 E CA 1.309 57.715 56.400 0.010 0.000 0.801 429 E CB -0.483 29.224 29.700 0.012 0.000 0.743 429 E HN 0.436 nan 8.360 nan 0.000 0.453 430 Q N -0.358 119.385 119.800 -0.095 0.000 2.224 430 Q HA -0.033 4.307 4.340 -0.001 0.000 0.203 430 Q C 1.432 177.379 176.000 -0.089 0.000 0.970 430 Q CA 0.622 56.371 55.803 -0.090 0.000 0.865 430 Q CB 0.106 28.789 28.738 -0.093 0.000 0.922 430 Q HN 0.221 nan 8.270 nan 0.000 0.445 431 L N 0.749 121.909 121.223 -0.105 0.000 2.928 431 L HA 0.194 4.534 4.340 -0.001 0.000 0.246 431 L C -0.201 176.601 176.870 -0.114 0.000 1.239 431 L CA -0.297 54.499 54.840 -0.073 0.000 1.035 431 L CB 0.264 42.300 42.059 -0.037 0.000 1.360 431 L HN -0.075 nan 8.230 nan 0.000 0.529 432 K N 0.933 121.216 120.400 -0.196 0.000 2.401 432 K HA 0.230 4.550 4.320 -0.001 0.000 0.278 432 K C 1.179 177.530 176.600 -0.415 0.000 1.018 432 K CA 0.678 56.764 56.287 -0.334 0.000 0.981 432 K CB 0.716 32.968 32.500 -0.414 0.000 0.933 432 K HN 0.305 nan 8.250 nan 0.000 0.477 433 G N 2.015 110.371 108.800 -0.739 0.000 2.155 433 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.257 433 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.257 433 G C -0.064 174.391 174.900 -0.741 0.000 0.983 433 G CA 0.538 44.864 45.100 -1.289 0.000 0.676 433 G HN 0.471 nan 8.290 nan 0.000 0.528 434 K N -0.547 119.719 120.400 -0.223 0.000 2.281 434 K HA 0.848 5.167 4.320 -0.001 0.000 0.242 434 K C -0.051 176.765 176.600 0.359 0.000 0.971 434 K CA -0.735 55.610 56.287 0.096 0.000 0.834 434 K CB 1.334 33.859 32.500 0.042 0.000 1.181 434 K HN 0.144 nan 8.250 nan 0.000 0.435 435 I N 4.597 125.330 120.570 0.271 0.000 2.436 435 I HA 0.363 4.532 4.170 -0.001 0.000 0.289 435 I C -0.892 175.315 176.117 0.150 0.000 1.010 435 I CA -0.944 60.483 61.300 0.211 0.000 1.098 435 I CB 1.111 39.200 38.000 0.149 0.000 1.266 435 I HN 0.356 nan 8.210 nan 0.000 0.434 436 L N 5.421 126.735 121.223 0.151 0.000 2.333 436 L HA 0.722 5.062 4.340 -0.001 0.000 0.269 436 L C -0.854 176.086 176.870 0.116 0.000 1.010 436 L CA -0.971 53.953 54.840 0.140 0.000 0.818 436 L CB 1.451 43.625 42.059 0.192 0.000 1.306 436 L HN 0.384 nan 8.230 nan 0.000 0.430 437 L N 1.883 123.161 121.223 0.092 0.000 2.334 437 L HA 0.615 4.954 4.340 -0.001 0.000 0.275 437 L C -0.040 176.879 176.870 0.082 0.000 1.036 437 L CA -0.583 54.305 54.840 0.080 0.000 0.807 437 L CB 1.471 43.567 42.059 0.062 0.000 1.231 437 L HN 0.594 nan 8.230 nan 0.000 0.438 438 K N 1.520 121.968 120.400 0.081 0.000 2.345 438 K HA 0.814 5.134 4.320 -0.001 0.000 0.255 438 K C -0.685 175.945 176.600 0.050 0.000 0.934 438 K CA -0.204 56.131 56.287 0.081 0.000 0.801 438 K CB 2.081 34.643 32.500 0.103 0.000 1.137 438 K HN 0.852 nan 8.250 nan 0.000 0.424 439 G N 2.466 111.285 108.800 0.032 0.000 2.317 439 G HA2 0.095 4.055 3.960 -0.001 0.000 0.293 439 G HA3 0.095 4.055 3.960 -0.001 0.000 0.293 439 G C -1.572 173.315 174.900 -0.021 0.000 1.287 439 G CA -0.819 44.278 45.100 -0.005 0.000 0.850 439 G HN 0.353 nan 8.290 nan 0.000 0.515 440 K N 0.611 120.978 120.400 -0.056 0.000 2.326 440 K HA 0.374 4.694 4.320 -0.001 0.000 0.275 440 K C -0.013 176.552 176.600 -0.058 0.000 1.018 440 K CA -0.021 56.226 56.287 -0.068 0.000 0.962 440 K CB 1.544 33.984 32.500 -0.100 0.000 0.953 440 K HN 0.614 nan 8.250 nan 0.000 0.475 441 K N 2.539 122.908 120.400 -0.051 0.000 2.318 441 K HA 0.264 4.584 4.320 -0.001 0.000 0.249 441 K C 1.000 177.568 176.600 -0.053 0.000 0.942 441 K CA -0.560 55.698 56.287 -0.049 0.000 0.808 441 K CB 1.172 33.650 32.500 -0.036 0.000 1.189 441 K HN 0.361 nan 8.250 nan 0.000 0.428 442 L N 2.286 123.476 121.223 -0.055 0.000 2.141 442 L HA -0.057 4.283 4.340 -0.001 0.000 0.209 442 L C 1.989 178.832 176.870 -0.045 0.000 1.094 442 L CA 1.248 56.057 54.840 -0.052 0.000 0.763 442 L CB -0.621 41.407 42.059 -0.051 0.000 0.908 442 L HN 1.072 nan 8.230 nan 0.000 0.437 443 G N 0.561 109.334 108.800 -0.045 0.000 3.206 443 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.215 443 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.215 443 G C 0.904 175.790 174.900 -0.023 0.000 1.165 443 G CA 0.658 45.736 45.100 -0.037 0.000 0.754 443 G HN 0.582 nan 8.290 nan 0.000 0.999 444 G N -0.506 108.290 108.800 -0.006 0.000 2.195 444 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.256 444 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.256 444 G C 0.326 175.222 174.900 -0.006 0.000 0.817 444 G CA 0.339 45.437 45.100 -0.004 0.000 1.235 444 G HN 0.895 nan 8.290 nan 0.000 0.358 486 L N 0.572 121.772 121.223 -0.038 0.000 2.131 486 L HA 0.391 4.730 4.340 -0.001 0.000 0.206 486 L C 2.266 179.113 176.870 -0.039 0.000 1.087 486 L CA 2.677 57.497 54.840 -0.034 0.000 0.767 486 L CB -0.506 41.534 42.059 -0.031 0.000 0.917 486 L HN 0.531 nan 8.230 nan 0.000 0.441 487 K N -2.207 118.165 120.400 -0.047 0.000 2.511 487 K HA 0.345 4.665 4.320 -0.001 0.000 0.209 487 K C -0.531 176.027 176.600 -0.071 0.000 1.301 487 K CA -0.042 56.212 56.287 -0.056 0.000 0.967 487 K CB 0.814 33.281 32.500 -0.055 0.000 1.109 487 K HN 0.338 nan 8.250 nan 0.000 0.561 488 L N 2.044 123.226 121.223 -0.068 0.000 2.439 488 L HA 0.360 4.700 4.340 -0.001 0.000 0.270 488 L C -0.915 175.915 176.870 -0.067 0.000 0.972 488 L CA -0.970 53.824 54.840 -0.077 0.000 0.836 488 L CB 1.750 43.761 42.059 -0.079 0.000 1.255 488 L HN -0.019 nan 8.230 nan 0.000 0.404 489 V N 4.087 123.959 119.914 -0.069 0.000 2.715 489 V HA 0.381 4.501 4.120 -0.001 0.000 0.299 489 V C -1.817 174.242 176.094 -0.058 0.000 1.054 489 V CA -0.864 61.400 62.300 -0.061 0.000 1.077 489 V CB 0.517 32.302 31.823 -0.063 0.000 0.972 489 V HN 0.770 nan 8.190 nan 0.000 0.484 490 P HA -0.143 nan 4.420 nan 0.000 0.216 490 P C 1.394 178.665 177.300 -0.048 0.000 1.150 490 P CA 1.677 64.749 63.100 -0.048 0.000 0.843 490 P CB 0.220 31.894 31.700 -0.043 0.000 0.787 491 E N -0.773 119.399 120.200 -0.047 0.000 2.049 491 E HA -0.179 4.171 4.350 -0.001 0.000 0.198 491 E C 2.026 178.600 176.600 -0.043 0.000 1.007 491 E CA 1.145 57.518 56.400 -0.044 0.000 0.809 491 E CB -1.088 28.583 29.700 -0.048 0.000 0.749 491 E HN 0.221 nan 8.360 nan 0.000 0.450 492 L N -0.056 121.136 121.223 -0.052 0.000 2.007 492 L HA -0.139 4.201 4.340 -0.001 0.000 0.205 492 L C 2.539 179.381 176.870 -0.046 0.000 1.073 492 L CA 1.266 56.076 54.840 -0.049 0.000 0.744 492 L CB -0.519 41.498 42.059 -0.070 0.000 0.898 492 L HN 0.202 nan 8.230 nan 0.000 0.435 493 S N 0.006 115.673 115.700 -0.055 0.000 2.380 493 S HA -0.261 4.209 4.470 -0.001 0.000 0.229 493 S C 1.482 176.047 174.600 -0.058 0.000 1.043 493 S CA 2.061 60.228 58.200 -0.056 0.000 1.038 493 S CB -0.326 62.839 63.200 -0.059 0.000 0.872 493 S HN 0.404 nan 8.310 nan 0.000 0.456 494 D N 0.541 120.908 120.400 -0.056 0.000 2.350 494 D HA 0.021 4.661 4.640 -0.001 0.000 0.216 494 D C 1.553 177.817 176.300 -0.061 0.000 0.968 494 D CA 0.796 54.759 54.000 -0.061 0.000 0.894 494 D CB -0.223 40.546 40.800 -0.053 0.000 0.909 494 D HN 0.515 nan 8.370 nan 0.000 0.520 495 M N -0.135 119.438 119.600 -0.045 0.000 2.556 495 M HA 0.053 4.533 4.480 -0.001 0.000 0.245 495 M C -0.183 176.096 176.300 -0.036 0.000 1.128 495 M CA 0.160 55.441 55.300 -0.032 0.000 1.069 495 M CB 0.832 33.429 32.600 -0.005 0.000 1.469 495 M HN -0.183 nan 8.290 nan 0.000 0.494 496 I N 1.036 121.576 120.570 -0.050 0.000 2.291 496 I HA 0.151 4.320 4.170 -0.001 0.000 0.292 496 I C 0.766 176.819 176.117 -0.107 0.000 1.064 496 I CA 0.150 61.422 61.300 -0.046 0.000 1.269 496 I CB -0.024 37.957 38.000 -0.031 0.000 1.418 496 I HN 0.212 nan 8.210 nan 0.000 0.485 497 I N 4.572 125.050 120.570 -0.154 0.000 3.132 497 I HA -0.057 4.113 4.170 -0.001 0.000 0.255 497 I C 1.063 176.907 176.117 -0.454 0.000 1.118 497 I CA 0.732 61.809 61.300 -0.371 0.000 1.463 497 I CB 0.039 37.735 38.000 -0.506 0.000 1.356 497 I HN 0.351 nan 8.210 nan 0.000 0.463 498 Y N -0.270 120.072 120.300 0.069 0.000 2.442 498 Y HA 0.238 4.787 4.550 -0.001 0.000 0.250 498 Y C 0.897 176.879 175.900 0.136 0.000 1.113 498 Y CA -0.784 57.389 58.100 0.122 0.000 1.273 498 Y CB 0.281 38.837 38.460 0.159 0.000 1.138 498 Y HN 0.106 nan 8.280 nan 0.000 0.522 499 C N 1.422 120.847 119.300 0.207 0.000 2.987 499 C HA 0.284 4.744 4.460 -0.001 0.000 0.262 499 C C 0.431 175.493 174.990 0.120 0.000 1.531 499 C CA -1.422 57.702 59.018 0.177 0.000 1.571 499 C CB -1.591 26.254 27.740 0.175 0.000 2.381 499 C HN 0.185 nan 8.230 nan 0.000 0.519 500 K N 1.624 122.094 120.400 0.118 0.000 2.378 500 K HA 0.174 4.493 4.320 -0.001 0.000 0.288 500 K C 0.361 177.004 176.600 0.072 0.000 1.057 500 K CA 0.353 56.689 56.287 0.082 0.000 0.971 500 K CB 0.425 32.995 32.500 0.116 0.000 0.975 500 K HN 0.445 nan 8.250 nan 0.000 0.475 501 S N 3.854 119.581 115.700 0.044 0.000 2.510 501 S HA 0.248 4.718 4.470 -0.001 0.000 0.279 501 S C -0.419 174.187 174.600 0.010 0.000 1.284 501 S CA -0.608 57.617 58.200 0.042 0.000 1.059 501 S CB 0.055 63.267 63.200 0.020 0.000 0.901 501 S HN 0.467 nan 8.310 nan 0.000 0.491 502 V N 3.490 123.429 119.914 0.043 0.000 3.130 502 V HA 0.649 4.769 4.120 -0.001 0.000 0.310 502 V C -0.921 175.244 176.094 0.119 0.000 1.158 502 V CA -1.096 61.212 62.300 0.013 0.000 1.029 502 V CB 1.448 33.290 31.823 0.031 0.000 1.057 502 V HN 0.825 nan 8.190 nan 0.000 0.436 503 H N 1.464 120.532 119.070 -0.004 0.000 2.505 503 H HA 0.493 5.048 4.556 -0.001 0.000 0.351 503 H C -0.710 174.620 175.328 0.003 0.000 1.151 503 H CA -1.095 54.943 56.048 -0.017 0.000 1.339 503 H CB 1.190 30.933 29.762 -0.031 0.000 1.483 503 H HN 0.766 nan 8.280 nan 0.000 0.558 504 F N 1.570 121.472 119.950 -0.080 0.000 2.471 504 F HA 0.299 4.825 4.527 -0.001 0.000 0.365 504 F C 1.024 176.750 175.800 -0.125 0.000 1.095 504 F CA -0.441 57.472 58.000 -0.145 0.000 1.174 504 F CB 0.526 39.334 39.000 -0.320 0.000 1.105 504 F HN 0.572 nan 8.300 nan 0.000 0.535 505 G N 3.986 112.374 108.800 -0.687 0.000 3.820 505 G HA2 0.458 4.417 3.960 -0.001 0.000 0.293 505 G HA3 0.458 4.417 3.960 -0.001 0.000 0.293 505 G C 0.407 174.798 174.900 -0.849 0.000 1.152 505 G CA 0.060 44.809 45.100 -0.585 0.000 0.921 505 G HN 1.306 nan 8.290 nan 0.000 0.544 506 G N -0.740 106.993 108.800 -1.778 0.000 2.781 506 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.683 506 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.683 506 G C -0.076 174.255 174.900 -0.947 0.000 1.390 506 G CA -0.631 43.690 45.100 -1.299 0.000 0.850 506 G HN 0.152 nan 8.290 nan 0.000 0.557 507 F N 0.959 120.840 119.950 -0.115 0.000 2.407 507 F HA 0.786 5.313 4.527 -0.001 0.000 0.181 507 F C 1.659 177.487 175.800 0.047 0.000 0.769 507 F CA 0.376 58.420 58.000 0.073 0.000 1.031 507 F CB -0.532 38.552 39.000 0.140 0.000 2.270 507 F HN 1.283 nan 8.300 nan 0.000 0.702 508 S N -0.944 114.956 115.700 0.333 0.000 2.817 508 S HA 0.043 4.512 4.470 -0.001 0.000 0.856 508 S C -0.798 173.895 174.600 0.155 0.000 0.868 508 S CA -0.606 57.703 58.200 0.182 0.000 1.490 508 S CB -0.856 62.407 63.200 0.104 0.000 1.070 508 S HN 0.724 nan 8.310 nan 0.000 0.222 509 S N 2.005 117.774 115.700 0.116 0.000 2.503 509 S HA 0.812 5.282 4.470 -0.001 0.000 0.301 509 S C -1.817 172.827 174.600 0.073 0.000 1.087 509 S CA -1.159 57.098 58.200 0.096 0.000 1.042 509 S CB 0.352 63.605 63.200 0.087 0.000 1.043 509 S HN 0.594 nan 8.310 nan 0.000 0.489 515 Q N 1.951 121.793 119.800 0.071 0.000 2.275 515 Q HA 0.480 4.819 4.340 -0.001 0.000 0.293 515 Q C 0.597 176.573 176.000 -0.040 0.000 1.129 515 Q CA 0.274 56.107 55.803 0.051 0.000 0.971 515 Q CB 0.386 29.261 28.738 0.228 0.000 1.098 515 Q HN 0.677 nan 8.270 nan 0.000 0.386 516 A N 4.129 126.807 122.820 -0.237 0.000 2.448 516 A HA 0.101 4.420 4.320 -0.001 0.000 0.239 516 A C 0.478 177.804 177.584 -0.430 0.000 1.080 516 A CA -0.044 51.691 52.037 -0.502 0.000 0.779 516 A CB -0.103 18.082 19.000 -1.358 0.000 1.026 516 A HN 0.979 nan 8.150 nan 0.000 0.499 517 F N -0.028 119.769 119.950 -0.255 0.000 2.269 517 F HA -0.170 4.356 4.527 -0.001 0.000 0.301 517 F C 1.442 177.276 175.800 0.056 0.000 1.082 517 F CA 1.351 59.329 58.000 -0.036 0.000 1.360 517 F CB -1.040 38.002 39.000 0.070 0.000 1.041 517 F HN 0.604 nan 8.300 nan 0.000 0.512 518 Y N 0.146 120.088 120.300 -0.597 0.000 2.529 518 Y HA 0.398 4.948 4.550 -0.001 0.000 0.290 518 Y C -0.063 175.794 175.900 -0.072 0.000 1.177 518 Y CA -1.070 56.852 58.100 -0.296 0.000 1.305 518 Y CB -1.243 36.925 38.460 -0.486 0.000 1.047 518 Y HN 0.139 nan 8.280 nan 0.000 0.522 519 E N 1.958 122.042 120.200 -0.193 0.000 2.179 519 E HA 0.421 4.770 4.350 -0.001 0.000 0.275 519 E C -1.159 175.494 176.600 0.089 0.000 0.945 519 E CA -0.743 55.637 56.400 -0.035 0.000 0.792 519 E CB 2.007 31.631 29.700 -0.126 0.000 1.125 519 E HN 0.275 nan 8.360 nan 0.000 0.397 520 M N 2.431 122.116 119.600 0.142 0.000 2.253 520 M HA 0.561 5.040 4.480 -0.001 0.000 0.314 520 M C -1.546 174.882 176.300 0.213 0.000 1.019 520 M CA -0.488 54.938 55.300 0.210 0.000 0.932 520 M CB 1.452 34.176 32.600 0.207 0.000 1.606 520 M HN 0.651 nan 8.290 nan 0.000 0.430 521 A N 3.123 126.116 122.820 0.290 0.000 2.306 521 A HA 0.856 5.176 4.320 -0.001 0.000 0.330 521 A C -0.811 176.840 177.584 0.113 0.000 1.146 521 A CA -0.562 51.579 52.037 0.173 0.000 0.827 521 A CB 1.279 20.400 19.000 0.203 0.000 1.178 521 A HN 0.788 nan 8.150 nan 0.000 0.490 522 S N -0.251 115.387 115.700 -0.105 0.000 2.532 522 S HA 0.831 5.300 4.470 -0.001 0.000 0.301 522 S C -1.289 173.119 174.600 -0.319 0.000 1.083 522 S CA -0.148 58.087 58.200 0.059 0.000 1.025 522 S CB 0.728 64.074 63.200 0.243 0.000 1.056 522 S HN 0.445 nan 8.310 nan 0.000 0.494 523 F N 1.005 121.031 119.950 0.128 0.000 2.578 523 F HA 0.476 5.003 4.527 -0.001 0.000 0.311 523 F C 0.692 176.115 175.800 -0.627 0.000 1.094 523 F CA -0.909 57.016 58.000 -0.124 0.000 0.923 523 F CB 1.568 40.508 39.000 -0.101 0.000 1.230 523 F HN 0.563 nan 8.300 nan 0.000 0.450 524 S N 0.179 115.549 115.700 -0.550 0.000 2.603 524 S HA 0.153 4.623 4.470 -0.001 0.000 0.268 524 S C 1.114 175.384 174.600 -0.550 0.000 1.317 524 S CA -0.155 57.480 58.200 -0.942 0.000 1.012 524 S CB 1.003 63.964 63.200 -0.400 0.000 0.926 524 S HN 0.869 nan 8.310 nan 0.000 0.539 525 E N 1.267 121.078 120.200 -0.648 0.000 2.118 525 E HA -0.236 4.114 4.350 -0.001 0.000 0.195 525 E C 1.774 178.210 176.600 -0.275 0.000 0.992 525 E CA 1.684 57.734 56.400 -0.583 0.000 0.804 525 E CB -0.594 28.548 29.700 -0.930 0.000 0.741 525 E HN 0.767 nan 8.360 nan 0.000 0.458 526 S N 1.016 116.604 115.700 -0.187 0.000 2.355 526 S HA -0.178 4.292 4.470 -0.001 0.000 0.222 526 S C 2.213 176.787 174.600 -0.043 0.000 1.031 526 S CA 0.976 59.137 58.200 -0.066 0.000 0.993 526 S CB -0.399 62.795 63.200 -0.008 0.000 0.859 526 S HN 0.281 nan 8.310 nan 0.000 0.453 527 R N 1.593 122.066 120.500 -0.046 0.000 2.075 527 R HA 0.035 4.374 4.340 -0.001 0.000 0.232 527 R C 2.554 178.867 176.300 0.023 0.000 1.126 527 R CA 1.195 57.300 56.100 0.008 0.000 0.963 527 R CB -0.837 29.489 30.300 0.043 0.000 0.858 527 R HN 0.501 nan 8.270 nan 0.000 0.435 528 A N 1.347 124.177 122.820 0.017 0.000 1.892 528 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 528 A C 2.217 179.838 177.584 0.062 0.000 1.188 528 A CA 1.459 53.518 52.037 0.037 0.000 0.631 528 A CB -0.667 18.320 19.000 -0.022 0.000 0.822 528 A HN 0.348 nan 8.150 nan 0.000 0.447 529 L N -1.287 119.938 121.223 0.003 0.000 2.046 529 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 529 L C 2.826 179.713 176.870 0.029 0.000 1.077 529 L CA 1.779 56.626 54.840 0.011 0.000 0.747 529 L CB -0.483 41.572 42.059 -0.007 0.000 0.896 529 L HN 0.462 nan 8.230 nan 0.000 0.432 530 R N 0.608 121.120 120.500 0.021 0.000 2.073 530 R HA -0.158 4.182 4.340 -0.001 0.000 0.234 530 R C 2.336 178.657 176.300 0.035 0.000 1.134 530 R CA 1.403 57.516 56.100 0.022 0.000 0.952 530 R CB -0.237 30.071 30.300 0.013 0.000 0.850 530 R HN 0.318 nan 8.270 nan 0.000 0.433 531 L N 0.766 122.005 121.223 0.027 0.000 2.131 531 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 531 L C 2.382 179.346 176.870 0.156 0.000 1.092 531 L CA 1.007 55.862 54.840 0.024 0.000 0.759 531 L CB -0.306 41.592 42.059 -0.269 0.000 0.903 531 L HN 0.301 nan 8.230 nan 0.000 0.435 532 L N -0.844 120.497 121.223 0.197 0.000 2.156 532 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 532 L C 2.550 179.452 176.870 0.053 0.000 1.095 532 L CA 0.760 55.693 54.840 0.155 0.000 0.770 532 L CB -0.275 41.828 42.059 0.074 0.000 0.914 532 L HN 0.252 nan 8.230 nan 0.000 0.439 533 Q N 0.093 119.917 119.800 0.040 0.000 2.269 533 Q HA -0.119 4.220 4.340 -0.001 0.000 0.201 533 Q C 1.818 177.828 176.000 0.018 0.000 0.946 533 Q CA 1.293 57.105 55.803 0.014 0.000 0.877 533 Q CB 0.268 29.012 28.738 0.011 0.000 0.963 533 Q HN 0.469 nan 8.270 nan 0.000 0.472 534 E N -1.445 118.779 120.200 0.040 0.000 2.079 534 E HA 0.066 4.416 4.350 -0.001 0.000 0.191 534 E C 1.747 178.382 176.600 0.058 0.000 0.961 534 E CA 0.942 57.370 56.400 0.046 0.000 0.823 534 E CB 0.252 29.985 29.700 0.056 0.000 0.789 534 E HN 0.138 nan 8.360 nan 0.000 0.459 535 S N -0.318 115.439 115.700 0.094 0.000 2.458 535 S HA 0.124 4.593 4.470 -0.001 0.000 0.223 535 S C 1.326 175.918 174.600 -0.013 0.000 1.019 535 S CA 0.454 58.703 58.200 0.082 0.000 0.937 535 S CB 0.300 63.625 63.200 0.208 0.000 0.788 535 S HN 0.496 nan 8.310 nan 0.000 0.511 536 G N 3.699 112.495 108.800 -0.006 0.000 2.698 536 G HA2 -0.482 3.477 3.960 -0.001 0.000 0.337 536 G HA3 -0.482 3.477 3.960 -0.001 0.000 0.337 536 G C 0.825 175.665 174.900 -0.100 0.000 1.196 536 G CA 0.807 45.868 45.100 -0.066 0.000 0.965 536 G HN 0.591 nan 8.290 nan 0.000 0.550 537 N N 2.996 121.623 118.700 -0.122 0.000 2.512 537 N HA 0.040 4.779 4.740 -0.001 0.000 0.183 537 N C 2.088 177.537 175.510 -0.101 0.000 1.073 537 N CA 1.983 54.973 53.050 -0.101 0.000 0.911 537 N CB -0.554 37.882 38.487 -0.085 0.000 0.964 537 N HN 0.896 nan 8.380 nan 0.000 0.447 538 G N 0.547 109.250 108.800 -0.161 0.000 2.402 538 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.216 538 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.216 538 G C 1.092 175.631 174.900 -0.601 0.000 1.162 538 G CA 0.159 45.093 45.100 -0.277 0.000 0.777 538 G HN 0.237 nan 8.290 nan 0.000 0.539 539 F N 1.486 120.879 119.950 -0.927 0.000 2.113 539 F HA -0.026 4.500 4.527 -0.001 0.000 0.297 539 F C 2.800 178.413 175.800 -0.312 0.000 1.103 539 F CA 0.507 57.958 58.000 -0.914 0.000 1.248 539 F CB -0.680 38.009 39.000 -0.518 0.000 0.999 539 F HN 0.015 nan 8.300 nan 0.000 0.475 540 V N 0.877 120.767 119.914 -0.039 0.000 2.287 540 V HA -0.334 3.786 4.120 -0.001 0.000 0.248 540 V C 2.582 178.685 176.094 0.014 0.000 1.053 540 V CA 2.257 64.536 62.300 -0.035 0.000 1.027 540 V CB -0.683 31.155 31.823 0.026 0.000 0.646 540 V HN 0.247 nan 8.190 nan 0.000 0.447 541 R N -1.052 119.460 120.500 0.021 0.000 2.081 541 R HA -0.179 4.161 4.340 -0.001 0.000 0.235 541 R C 2.425 178.790 176.300 0.108 0.000 1.131 541 R CA 1.585 57.715 56.100 0.049 0.000 0.960 541 R CB -0.646 29.682 30.300 0.047 0.000 0.856 541 R HN 0.657 nan 8.270 nan 0.000 0.436 542 H N 1.164 120.279 119.070 0.075 0.000 2.352 542 H HA -0.081 4.475 4.556 -0.001 0.000 0.299 542 H C 0.993 176.468 175.328 0.244 0.000 1.097 542 H CA 1.448 57.633 56.048 0.229 0.000 1.311 542 H CB 0.121 30.116 29.762 0.389 0.000 1.377 542 H HN 0.118 nan 8.280 nan 0.000 0.504 543 N N 0.632 119.466 118.700 0.224 0.000 2.521 543 N HA -0.058 4.681 4.740 -0.001 0.000 0.188 543 N C 1.840 177.390 175.510 0.068 0.000 1.146 543 N CA 0.282 53.416 53.050 0.140 0.000 0.893 543 N CB 0.222 38.760 38.487 0.085 0.000 0.975 543 N HN 0.226 nan 8.380 nan 0.000 0.451 544 V N 0.239 120.178 119.914 0.042 0.000 2.407 544 V HA -0.107 4.013 4.120 -0.001 0.000 0.245 544 V C 2.078 178.272 176.094 0.166 0.000 1.041 544 V CA 1.880 64.194 62.300 0.023 0.000 1.040 544 V CB -0.291 31.524 31.823 -0.013 0.000 0.671 544 V HN 0.381 nan 8.190 nan 0.000 0.455 545 S N -2.691 113.076 115.700 0.111 0.000 2.497 545 S HA 0.113 4.583 4.470 -0.001 0.000 0.218 545 S C 0.636 175.310 174.600 0.124 0.000 1.023 545 S CA -0.297 57.978 58.200 0.126 0.000 0.913 545 S CB -0.087 63.172 63.200 0.099 0.000 0.800 545 S HN 0.439 nan 8.310 nan 0.000 0.505 546 C N 1.815 121.141 119.300 0.044 0.000 2.561 546 C HA 0.651 5.111 4.460 -0.001 0.000 0.319 546 C C 0.075 175.164 174.990 0.165 0.000 1.198 546 C CA -1.201 57.863 59.018 0.077 0.000 1.665 546 C CB 1.002 28.702 27.740 -0.067 0.000 2.258 546 C HN 0.513 nan 8.230 nan 0.000 0.493 547 L N 2.181 123.541 121.223 0.228 0.000 2.371 547 L HA 0.429 4.768 4.340 -0.001 0.000 0.272 547 L C 0.301 177.375 176.870 0.340 0.000 1.124 547 L CA 0.584 55.584 54.840 0.266 0.000 0.816 547 L CB 0.908 43.122 42.059 0.259 0.000 1.129 547 L HN 0.689 nan 8.230 nan 0.000 0.448 548 S N 2.276 118.193 115.700 0.360 0.000 2.594 548 S HA 0.510 4.980 4.470 -0.001 0.000 0.296 548 S C -0.690 174.153 174.600 0.405 0.000 1.124 548 S CA -0.693 57.792 58.200 0.475 0.000 1.011 548 S CB 1.950 65.457 63.200 0.511 0.000 1.016 548 S HN 0.507 nan 8.310 nan 0.000 0.485 549 R N 3.011 123.781 120.500 0.450 0.000 2.474 549 R HA 0.631 4.971 4.340 -0.001 0.000 0.295 549 R C -1.108 175.456 176.300 0.440 0.000 0.980 549 R CA -0.514 55.818 56.100 0.386 0.000 0.934 549 R CB 0.465 30.962 30.300 0.330 0.000 1.101 549 R HN 0.472 nan 8.270 nan 0.000 0.469 550 I N 4.749 125.520 120.570 0.335 0.000 2.646 550 I HA 0.400 4.569 4.170 -0.001 0.000 0.299 550 I C -0.776 175.463 176.117 0.203 0.000 1.036 550 I CA -0.928 60.486 61.300 0.190 0.000 1.074 550 I CB 1.360 39.445 38.000 0.142 0.000 1.258 550 I HN 0.719 nan 8.210 nan 0.000 0.430 551 Y N 2.917 123.215 120.300 -0.004 0.000 2.588 551 Y HA 0.761 5.310 4.550 -0.001 0.000 0.343 551 Y C -3.106 172.563 175.900 -0.385 0.000 1.065 551 Y CA -3.242 54.791 58.100 -0.112 0.000 1.038 551 Y CB 0.635 39.087 38.460 -0.014 0.000 1.297 551 Y HN 0.268 nan 8.280 nan 0.000 0.467 552 P HA 0.136 nan 4.420 nan 0.000 0.267 552 P C -0.451 176.618 177.300 -0.386 0.000 1.200 552 P CA 0.353 63.166 63.100 -0.478 0.000 0.772 552 P CB 0.516 31.950 31.700 -0.443 0.000 0.855 553 A N 2.775 125.293 122.820 -0.503 0.000 2.483 553 A HA 0.343 4.662 4.320 -0.001 0.000 0.238 553 A C 1.959 179.366 177.584 -0.294 0.000 1.070 553 A CA 0.451 52.267 52.037 -0.368 0.000 0.770 553 A CB -0.687 18.058 19.000 -0.426 0.000 1.008 553 A HN 0.705 nan 8.150 nan 0.000 0.497 554 G N 1.421 110.208 108.800 -0.022 0.000 2.475 554 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.220 554 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.220 554 G C 1.275 176.227 174.900 0.087 0.000 1.125 554 G CA 1.193 46.338 45.100 0.075 0.000 0.755 554 G HN 1.036 nan 8.290 nan 0.000 0.565 555 W N 0.971 122.299 121.300 0.045 0.000 2.525 555 W HA 0.121 4.780 4.660 -0.001 0.000 0.259 555 W C 0.670 177.214 176.519 0.041 0.000 1.253 555 W CA -0.002 57.365 57.345 0.038 0.000 1.262 555 W CB -0.380 29.092 29.460 0.019 0.000 1.122 555 W HN 0.081 nan 8.180 nan 0.000 0.607 556 R N 2.607 122.844 120.500 -0.437 0.000 4.860 556 R HA 0.005 4.345 4.340 -0.001 0.000 0.191 556 R C 1.633 177.871 176.300 -0.102 0.000 1.936 556 R CA 0.846 56.675 56.100 -0.450 0.000 1.609 556 R CB -0.534 29.322 30.300 -0.739 0.000 1.392 556 R HN 0.156 nan 8.270 nan 0.000 0.844 557 T N -2.817 111.769 114.554 0.054 0.000 3.113 557 T HA -0.087 4.263 4.350 -0.001 0.000 0.263 557 T C 1.057 175.795 174.700 0.065 0.000 1.143 557 T CA 0.704 62.854 62.100 0.083 0.000 1.090 557 T CB -0.009 68.930 68.868 0.120 0.000 0.922 557 T HN 0.335 nan 8.240 nan 0.000 0.521 558 D N 0.390 120.820 120.400 0.050 0.000 2.340 558 D HA 0.120 4.760 4.640 -0.001 0.000 0.220 558 D C 0.596 176.895 176.300 -0.002 0.000 1.039 558 D CA -0.008 54.015 54.000 0.039 0.000 0.866 558 D CB -0.528 40.310 40.800 0.063 0.000 0.913 558 D HN 0.295 nan 8.370 nan 0.000 0.523 559 S N -0.825 114.860 115.700 -0.025 0.000 3.635 559 S HA -0.193 4.277 4.470 -0.001 0.000 0.328 559 S C 0.403 174.960 174.600 -0.070 0.000 1.135 559 S CA 0.601 58.773 58.200 -0.045 0.000 0.942 559 S CB -2.317 60.857 63.200 -0.043 0.000 0.930 559 S HN 0.771 nan 8.310 nan 0.000 0.512 560 S N 1.127 116.772 115.700 -0.092 0.000 2.600 560 S HA 0.595 5.064 4.470 -0.001 0.000 0.265 560 S C -0.007 174.517 174.600 -0.126 0.000 1.325 560 S CA -0.619 57.525 58.200 -0.093 0.000 1.002 560 S CB 0.697 63.860 63.200 -0.062 0.000 0.921 560 S HN 0.376 nan 8.310 nan 0.000 0.554 561 N N 0.348 118.981 118.700 -0.112 0.000 2.362 561 N HA 0.504 5.244 4.740 -0.001 0.000 0.299 561 N C -1.089 174.371 175.510 -0.082 0.000 1.170 561 N CA -0.528 52.437 53.050 -0.143 0.000 0.825 561 N CB 1.410 39.750 38.487 -0.244 0.000 1.299 561 N HN 0.810 nan 8.380 nan 0.000 0.502 562 Y N -1.713 118.477 120.300 -0.182 0.000 2.534 562 Y HA 0.582 5.131 4.550 -0.001 0.000 0.329 562 Y C 0.631 176.445 175.900 -0.143 0.000 1.154 562 Y CA -1.344 56.672 58.100 -0.141 0.000 1.192 562 Y CB 0.299 38.666 38.460 -0.156 0.000 1.275 562 Y HN 0.319 nan 8.280 nan 0.000 0.491 563 S N 3.138 118.791 115.700 -0.077 0.000 2.488 563 S HA 0.187 4.656 4.470 -0.001 0.000 0.278 563 S C -1.416 173.007 174.600 -0.296 0.000 1.259 563 S CA -1.189 56.903 58.200 -0.180 0.000 1.061 563 S CB 0.302 63.468 63.200 -0.057 0.000 0.910 563 S HN 0.700 nan 8.310 nan 0.000 0.491 564 P HA -0.013 nan 4.420 nan 0.000 0.227 564 P C 1.532 178.246 177.300 -0.977 0.000 1.161 564 P CA 0.446 63.054 63.100 -0.819 0.000 0.788 564 P CB -0.057 31.058 31.700 -0.975 0.000 0.822 565 V N 1.555 121.114 119.914 -0.591 0.000 2.231 565 V HA -0.241 3.879 4.120 -0.001 0.000 0.248 565 V C 2.753 178.829 176.094 -0.031 0.000 1.054 565 V CA 2.505 64.717 62.300 -0.146 0.000 1.015 565 V CB -1.530 30.320 31.823 0.045 0.000 0.638 565 V HN 0.166 nan 8.190 nan 0.000 0.444 566 E N -0.342 119.829 120.200 -0.048 0.000 2.267 566 E HA -0.201 4.148 4.350 -0.001 0.000 0.197 566 E C 1.986 178.566 176.600 -0.033 0.000 0.998 566 E CA 1.350 57.744 56.400 -0.009 0.000 0.830 566 E CB -0.214 29.483 29.700 -0.003 0.000 0.751 566 E HN 0.421 nan 8.360 nan 0.000 0.491 567 M N -1.112 118.434 119.600 -0.089 0.000 2.134 567 M HA -0.085 4.394 4.480 -0.001 0.000 0.262 567 M C 1.883 178.177 176.300 -0.010 0.000 1.076 567 M CA 0.972 56.213 55.300 -0.098 0.000 1.143 567 M CB -1.415 31.124 32.600 -0.101 0.000 1.346 567 M HN 0.252 nan 8.290 nan 0.000 0.421 568 W N 1.763 123.043 121.300 -0.034 0.000 2.342 568 W HA -0.151 4.509 4.660 -0.001 0.000 0.297 568 W C 1.949 178.418 176.519 -0.083 0.000 1.213 568 W CA 0.969 58.275 57.345 -0.066 0.000 1.251 568 W CB -1.838 27.575 29.460 -0.078 0.000 1.136 568 W HN 0.366 nan 8.180 nan 0.000 0.526 569 N N -0.602 118.217 118.700 0.198 0.000 2.443 569 N HA -0.073 4.667 4.740 -0.001 0.000 0.184 569 N C 1.783 177.380 175.510 0.146 0.000 1.037 569 N CA 1.502 54.658 53.050 0.176 0.000 0.896 569 N CB -0.795 37.801 38.487 0.182 0.000 0.959 569 N HN 0.143 nan 8.380 nan 0.000 0.442 570 G N -1.412 107.380 108.800 -0.014 0.000 3.434 570 G HA2 0.393 4.352 3.960 -0.001 0.000 0.258 570 G HA3 0.393 4.352 3.960 -0.001 0.000 0.258 570 G C 1.030 175.775 174.900 -0.259 0.000 1.128 570 G CA 0.195 45.190 45.100 -0.175 0.000 0.792 570 G HN 0.363 nan 8.290 nan 0.000 0.539 571 G N -0.595 108.132 108.800 -0.122 0.000 2.267 571 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.257 571 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.257 571 G C 0.730 175.590 174.900 -0.067 0.000 0.998 571 G CA 0.217 45.249 45.100 -0.114 0.000 0.620 571 G HN 0.714 nan 8.290 nan 0.000 0.529 572 C N 2.789 122.008 119.300 -0.136 0.000 2.517 572 C HA 0.342 4.802 4.460 -0.001 0.000 0.403 572 C C 1.923 177.027 174.990 0.190 0.000 1.467 572 C CA 0.720 59.726 59.018 -0.021 0.000 1.542 572 C CB 0.460 28.144 27.740 -0.094 0.000 2.482 572 C HN 0.671 nan 8.230 nan 0.000 0.610 573 Q N 2.728 122.661 119.800 0.222 0.000 2.396 573 Q HA 0.198 4.537 4.340 -0.001 0.000 0.220 573 Q C 0.325 176.521 176.000 0.326 0.000 0.900 573 Q CA 0.980 56.951 55.803 0.281 0.000 0.925 573 Q CB 0.247 29.128 28.738 0.237 0.000 1.065 573 Q HN 0.848 nan 8.270 nan 0.000 0.535 574 I N 2.865 123.613 120.570 0.297 0.000 2.523 574 I HA 0.250 4.420 4.170 -0.001 0.000 0.281 574 I C -0.770 175.532 176.117 0.309 0.000 1.126 574 I CA -0.753 60.717 61.300 0.283 0.000 1.187 574 I CB 1.449 39.594 38.000 0.241 0.000 1.478 574 I HN -0.208 nan 8.210 nan 0.000 0.522 575 V N 4.609 124.750 119.914 0.378 0.000 2.339 575 V HA 0.374 4.494 4.120 -0.001 0.000 0.261 575 V C 0.887 177.153 176.094 0.287 0.000 1.058 575 V CA -0.448 62.053 62.300 0.335 0.000 0.897 575 V CB 0.986 32.969 31.823 0.265 0.000 1.052 575 V HN 0.706 nan 8.190 nan 0.000 0.480 576 A N 7.398 130.366 122.820 0.246 0.000 2.362 576 A HA 0.773 5.092 4.320 -0.001 0.000 0.276 576 A C -0.428 177.188 177.584 0.053 0.000 1.153 576 A CA -0.226 51.906 52.037 0.160 0.000 0.813 576 A CB 0.254 19.399 19.000 0.241 0.000 1.081 576 A HN 0.780 nan 8.150 nan 0.000 0.507 577 L N 2.152 123.323 121.223 -0.087 0.000 2.354 577 L HA 0.374 4.714 4.340 -0.001 0.000 0.264 577 L C -0.427 176.462 176.870 0.032 0.000 1.008 577 L CA -1.119 53.604 54.840 -0.195 0.000 0.819 577 L CB 1.892 43.597 42.059 -0.590 0.000 1.339 577 L HN 0.638 nan 8.230 nan 0.000 0.420 578 N N 1.908 120.597 118.700 -0.018 0.000 2.434 578 N HA 0.041 4.781 4.740 -0.001 0.000 0.273 578 N C 0.583 176.106 175.510 0.022 0.000 1.210 578 N CA 0.033 53.095 53.050 0.019 0.000 0.992 578 N CB 0.393 38.866 38.487 -0.023 0.000 1.355 578 N HN 0.452 nan 8.380 nan 0.000 0.495 579 F N 1.492 121.319 119.950 -0.205 0.000 2.449 579 F HA -0.145 4.382 4.527 -0.001 0.000 0.299 579 F C 2.454 178.162 175.800 -0.152 0.000 1.092 579 F CA 0.889 58.779 58.000 -0.183 0.000 1.446 579 F CB -0.011 38.886 39.000 -0.171 0.000 1.084 579 F HN 0.501 nan 8.300 nan 0.000 0.567 580 Q N -0.678 119.122 119.800 0.001 0.000 2.424 580 Q HA 0.010 4.349 4.340 -0.001 0.000 0.204 580 Q C 0.070 176.024 176.000 -0.077 0.000 0.933 580 Q CA 0.673 56.447 55.803 -0.049 0.000 0.929 580 Q CB -0.887 27.809 28.738 -0.069 0.000 1.037 580 Q HN 0.188 nan 8.270 nan 0.000 0.511 581 T N 4.610 119.106 114.554 -0.098 0.000 2.738 581 T HA 0.437 4.787 4.350 -0.001 0.000 0.298 581 T C -2.490 172.121 174.700 -0.149 0.000 0.962 581 T CA -1.298 60.735 62.100 -0.112 0.000 0.972 581 T CB 1.437 70.242 68.868 -0.106 0.000 0.928 581 T HN 0.137 nan 8.240 nan 0.000 0.474 582 P HA 0.541 nan 4.420 nan 0.000 0.272 582 P C 0.226 177.410 177.300 -0.193 0.000 1.223 582 P CA 0.200 63.185 63.100 -0.192 0.000 0.784 582 P CB 0.677 32.251 31.700 -0.210 0.000 0.923 583 G N 1.273 109.947 108.800 -0.210 0.000 2.350 583 G HA2 0.113 4.073 3.960 -0.001 0.000 0.305 583 G HA3 0.113 4.073 3.960 -0.001 0.000 0.305 583 G C -2.819 172.008 174.900 -0.121 0.000 1.479 583 G CA -0.791 44.212 45.100 -0.162 0.000 0.949 583 G HN 0.111 nan 8.290 nan 0.000 0.651 584 P HA -0.012 nan 4.420 nan 0.000 0.221 584 P C 1.392 178.631 177.300 -0.102 0.000 1.145 584 P CA 1.348 64.424 63.100 -0.040 0.000 0.795 584 P CB 0.341 32.046 31.700 0.009 0.000 0.775 585 E N -1.406 118.720 120.200 -0.124 0.000 2.028 585 E HA -0.095 4.255 4.350 -0.001 0.000 0.190 585 E C 1.967 178.482 176.600 -0.142 0.000 0.984 585 E CA 1.184 57.482 56.400 -0.171 0.000 0.800 585 E CB -0.740 28.826 29.700 -0.222 0.000 0.758 585 E HN 0.100 nan 8.360 nan 0.000 0.448 586 M N 0.927 120.425 119.600 -0.170 0.000 2.175 586 M HA -0.120 4.359 4.480 -0.001 0.000 0.264 586 M C 1.181 177.447 176.300 -0.057 0.000 1.063 586 M CA 1.260 56.456 55.300 -0.175 0.000 1.119 586 M CB -0.700 31.731 32.600 -0.282 0.000 1.377 586 M HN 0.063 nan 8.290 nan 0.000 0.415 587 D N 0.067 120.433 120.400 -0.057 0.000 2.092 587 D HA -0.125 4.514 4.640 -0.001 0.000 0.193 587 D C 2.160 178.470 176.300 0.017 0.000 0.994 587 D CA 1.250 55.247 54.000 -0.004 0.000 0.828 587 D CB -0.280 40.533 40.800 0.023 0.000 0.963 587 D HN 0.161 nan 8.370 nan 0.000 0.450 588 V N 0.335 120.227 119.914 -0.036 0.000 2.626 588 V HA -0.222 3.897 4.120 -0.001 0.000 0.252 588 V C 2.044 178.221 176.094 0.138 0.000 1.067 588 V CA 1.046 63.324 62.300 -0.036 0.000 1.081 588 V CB -0.547 31.128 31.823 -0.245 0.000 0.686 588 V HN 0.174 nan 8.190 nan 0.000 0.468 589 Y N 0.499 120.828 120.300 0.048 0.000 2.109 589 Y HA -0.147 4.403 4.550 -0.000 0.000 0.285 589 Y C 2.213 178.275 175.900 0.271 0.000 1.131 589 Y CA 1.736 59.972 58.100 0.228 0.000 1.121 589 Y CB -0.109 38.362 38.460 0.018 0.000 0.987 589 Y HN 0.110 nan 8.280 nan 0.000 0.495 590 L N -0.825 120.548 121.223 0.250 0.000 2.275 590 L HA -0.109 4.231 4.340 -0.001 0.000 0.215 590 L C 2.526 179.454 176.870 0.097 0.000 1.119 590 L CA 0.915 55.867 54.840 0.186 0.000 0.790 590 L CB -1.040 41.068 42.059 0.082 0.000 0.919 590 L HN 0.380 nan 8.230 nan 0.000 0.443 591 G N -0.650 108.192 108.800 0.070 0.000 2.408 591 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.217 591 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.217 591 G C 1.809 176.719 174.900 0.017 0.000 1.150 591 G CA 0.769 45.909 45.100 0.067 0.000 0.776 591 G HN 0.478 nan 8.290 nan 0.000 0.542 592 C N -0.073 119.138 119.300 -0.148 0.000 2.440 592 C HA 0.162 4.622 4.460 -0.001 0.000 0.278 592 C C 2.204 176.816 174.990 -0.630 0.000 1.295 592 C CA 0.414 59.125 59.018 -0.512 0.000 1.738 592 C CB -1.076 26.016 27.740 -1.080 0.000 1.987 592 C HN 0.295 nan 8.230 nan 0.000 0.492 593 F N 0.848 120.718 119.950 -0.133 0.000 2.731 593 F HA 0.195 4.722 4.527 -0.001 0.000 0.304 593 F C 2.286 178.075 175.800 -0.018 0.000 1.133 593 F CA 0.304 58.251 58.000 -0.087 0.000 1.380 593 F CB -0.366 38.594 39.000 -0.068 0.000 1.079 593 F HN 0.275 nan 8.300 nan 0.000 0.550 594 Q N -0.272 119.567 119.800 0.066 0.000 2.269 594 Q HA -0.038 4.302 4.340 -0.001 0.000 0.201 594 Q C 0.613 176.694 176.000 0.134 0.000 0.946 594 Q CA 0.522 56.311 55.803 -0.023 0.000 0.877 594 Q CB -0.226 28.325 28.738 -0.312 0.000 0.963 594 Q HN 0.289 nan 8.270 nan 0.000 0.472 595 D N 1.315 121.868 120.400 0.256 0.000 2.361 595 D HA -0.052 4.588 4.640 -0.001 0.000 0.239 595 D C 0.253 176.642 176.300 0.149 0.000 1.200 595 D CA 0.239 54.422 54.000 0.305 0.000 0.915 595 D CB 0.353 41.217 40.800 0.106 0.000 1.170 595 D HN -0.000 nan 8.370 nan 0.000 0.444 596 N N 0.766 119.547 118.700 0.134 0.000 2.725 596 N HA -0.202 4.537 4.740 -0.001 0.000 0.251 596 N C 0.678 176.222 175.510 0.057 0.000 1.031 596 N CA 1.850 54.836 53.050 -0.107 0.000 0.720 596 N CB -1.233 37.083 38.487 -0.286 0.000 0.930 596 N HN 0.739 nan 8.380 nan 0.000 0.543 597 G N -1.351 107.566 108.800 0.196 0.000 2.175 597 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.265 597 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.265 597 G C 1.481 176.469 174.900 0.147 0.000 0.979 597 G CA 1.034 46.240 45.100 0.177 0.000 0.663 597 G HN 1.849 nan 8.290 nan 0.000 0.533 598 G N -1.596 107.288 108.800 0.140 0.000 2.153 598 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.252 598 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.252 598 G C 1.997 176.996 174.900 0.165 0.000 0.994 598 G CA 1.726 46.911 45.100 0.141 0.000 0.698 598 G HN 2.334 nan 8.290 nan 0.000 0.521 599 C N -0.921 118.480 119.300 0.169 0.000 2.511 599 C HA 0.529 4.989 4.460 -0.001 0.000 0.277 599 C C 2.503 177.620 174.990 0.212 0.000 1.451 599 C CA 0.876 60.031 59.018 0.228 0.000 1.735 599 C CB -1.057 26.808 27.740 0.207 0.000 1.704 599 C HN 2.370 nan 8.230 nan 0.000 0.571 600 G N -0.999 107.875 108.800 0.124 0.000 2.199 600 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.254 600 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.254 600 G C -0.342 174.355 174.900 -0.339 0.000 0.982 600 G CA 0.554 45.570 45.100 -0.139 0.000 0.632 600 G HN 0.675 nan 8.290 nan 0.000 0.529 601 Y N -0.414 119.934 120.300 0.081 0.000 2.338 601 Y HA 0.607 5.156 4.550 -0.001 0.000 0.333 601 Y C -0.080 175.898 175.900 0.129 0.000 0.968 601 Y CA -0.923 57.227 58.100 0.084 0.000 1.123 601 Y CB 2.451 40.781 38.460 -0.218 0.000 1.165 601 Y HN 0.099 nan 8.280 nan 0.000 0.452 602 V N 5.280 125.351 119.914 0.262 0.000 2.444 602 V HA 0.257 4.376 4.120 -0.001 0.000 0.294 602 V C -0.548 175.500 176.094 -0.077 0.000 1.022 602 V CA -0.930 61.364 62.300 -0.011 0.000 0.850 602 V CB 1.755 33.400 31.823 -0.297 0.000 0.992 602 V HN 0.563 nan 8.190 nan 0.000 0.426 603 L N 6.611 127.707 121.223 -0.211 0.000 2.477 603 L HA 0.230 4.570 4.340 -0.001 0.000 0.272 603 L C 0.698 177.321 176.870 -0.412 0.000 1.157 603 L CA 0.626 55.165 54.840 -0.502 0.000 0.889 603 L CB 0.027 41.794 42.059 -0.487 0.000 1.158 603 L HN 0.553 nan 8.230 nan 0.000 0.473 604 K N 5.878 126.019 120.400 -0.431 0.000 2.336 604 K HA 0.162 4.482 4.320 -0.001 0.000 0.262 604 K C -2.195 174.131 176.600 -0.456 0.000 0.992 604 K CA -1.366 54.668 56.287 -0.420 0.000 0.927 604 K CB -0.125 32.137 32.500 -0.397 0.000 0.956 604 K HN 0.471 nan 8.250 nan 0.000 0.495 605 P HA -0.085 nan 4.420 nan 0.000 0.267 605 P C -0.045 176.893 177.300 -0.603 0.000 1.200 605 P CA 0.273 63.011 63.100 -0.604 0.000 0.772 605 P CB 0.668 31.752 31.700 -1.028 0.000 0.855 606 A N 3.448 126.079 122.820 -0.316 0.000 1.986 606 A HA -0.221 4.099 4.320 -0.001 0.000 0.220 606 A C 1.692 179.184 177.584 -0.154 0.000 1.171 606 A CA 1.848 53.768 52.037 -0.194 0.000 0.640 606 A CB -1.679 17.290 19.000 -0.052 0.000 0.811 606 A HN 0.723 nan 8.150 nan 0.000 0.451 607 F N -1.480 118.409 119.950 -0.102 0.000 2.451 607 F HA 0.104 4.631 4.527 -0.001 0.000 0.299 607 F C 1.371 177.069 175.800 -0.170 0.000 1.101 607 F CA 0.744 58.709 58.000 -0.058 0.000 1.436 607 F CB -0.496 38.550 39.000 0.076 0.000 1.074 607 F HN 0.075 nan 8.300 nan 0.000 0.553 608 L N 0.029 120.878 121.223 -0.623 0.000 2.607 608 L HA 0.236 4.575 4.340 -0.001 0.000 0.228 608 L C 1.391 178.041 176.870 -0.367 0.000 1.123 608 L CA 0.193 54.746 54.840 -0.479 0.000 0.890 608 L CB -0.152 41.519 42.059 -0.646 0.000 1.103 608 L HN 0.068 nan 8.230 nan 0.000 0.468 609 R N -0.569 119.703 120.500 -0.381 0.000 2.586 609 R HA 0.115 4.454 4.340 -0.001 0.000 0.336 609 R C -0.461 175.665 176.300 -0.289 0.000 1.060 609 R CA -0.156 55.639 56.100 -0.508 0.000 1.079 609 R CB 0.260 30.193 30.300 -0.611 0.000 1.317 609 R HN -0.010 nan 8.270 nan 0.000 0.568 610 D N 0.884 121.202 120.400 -0.137 0.000 2.425 610 D HA 0.156 4.795 4.640 -0.001 0.000 0.240 610 D C -1.532 174.770 176.300 0.003 0.000 1.080 610 D CA -2.577 51.406 54.000 -0.027 0.000 0.836 610 D CB 1.883 42.709 40.800 0.043 0.000 1.125 610 D HN -0.143 nan 8.370 nan 0.000 0.525 611 P HA -0.121 nan 4.420 nan 0.000 0.218 611 P C 0.319 177.652 177.300 0.055 0.000 1.148 611 P CA 0.913 64.038 63.100 0.043 0.000 0.822 611 P CB 0.478 32.211 31.700 0.054 0.000 0.784 612 N N -0.990 117.747 118.700 0.062 0.000 2.230 612 N HA 0.007 4.746 4.740 -0.001 0.000 0.202 612 N C 0.682 176.248 175.510 0.094 0.000 1.119 612 N CA 0.173 53.266 53.050 0.072 0.000 0.851 612 N CB 0.023 38.551 38.487 0.069 0.000 0.990 612 N HN 0.124 nan 8.380 nan 0.000 0.497 613 T N 1.143 115.760 114.554 0.106 0.000 2.939 613 T HA -0.013 4.337 4.350 -0.001 0.000 0.319 613 T C 1.349 176.129 174.700 0.133 0.000 1.082 613 T CA 0.596 62.793 62.100 0.161 0.000 1.133 613 T CB 0.545 69.512 68.868 0.165 0.000 1.019 613 T HN 0.330 nan 8.240 nan 0.000 0.548 614 T N 2.899 117.564 114.554 0.185 0.000 3.129 614 T HA 0.249 4.599 4.350 -0.001 0.000 0.267 614 T C 0.314 174.994 174.700 -0.033 0.000 1.018 614 T CA -0.623 61.542 62.100 0.108 0.000 0.903 614 T CB -0.419 68.550 68.868 0.169 0.000 1.067 614 T HN 0.526 nan 8.240 nan 0.000 0.549 615 F N 3.254 122.960 119.950 -0.406 0.000 2.563 615 F HA 0.464 4.990 4.527 -0.001 0.000 0.363 615 F C 0.107 175.633 175.800 -0.457 0.000 1.123 615 F CA -0.251 57.196 58.000 -0.922 0.000 1.307 615 F CB 0.445 38.798 39.000 -1.079 0.000 1.115 615 F HN 0.179 nan 8.300 nan 0.000 0.592 616 N N 3.475 121.273 118.700 -1.503 0.000 2.655 616 N HA 0.026 4.766 4.740 -0.001 0.000 0.277 616 N C 0.001 174.839 175.510 -1.120 0.000 1.177 616 N CA 0.109 52.559 53.050 -0.999 0.000 0.882 616 N CB 1.522 39.733 38.487 -0.462 0.000 1.481 616 N HN 0.660 nan 8.380 nan 0.000 0.547 617 S N 2.447 117.526 115.700 -1.035 0.000 2.420 617 S HA -0.052 4.418 4.470 -0.001 0.000 0.237 617 S C 1.337 175.794 174.600 -0.240 0.000 1.023 617 S CA 1.196 59.106 58.200 -0.483 0.000 0.991 617 S CB 0.061 63.193 63.200 -0.112 0.000 0.792 617 S HN 0.518 nan 8.310 nan 0.000 0.488 618 R N 0.467 120.833 120.500 -0.224 0.000 2.280 618 R HA 0.341 4.681 4.340 -0.001 0.000 0.195 618 R C 0.338 176.571 176.300 -0.112 0.000 0.935 618 R CA 0.696 56.723 56.100 -0.121 0.000 1.033 618 R CB -0.146 30.101 30.300 -0.088 0.000 0.964 618 R HN 0.322 nan 8.270 nan 0.000 0.489 619 A N 1.226 123.947 122.820 -0.166 0.000 3.156 619 A HA 0.374 4.694 4.320 -0.001 0.000 0.311 619 A C -0.442 177.056 177.584 -0.143 0.000 1.129 619 A CA -0.592 51.372 52.037 -0.121 0.000 0.809 619 A CB 0.208 19.144 19.000 -0.107 0.000 1.257 619 A HN 0.066 nan 8.150 nan 0.000 0.491 620 L N 1.976 123.147 121.223 -0.086 0.000 2.426 620 L HA 0.452 4.792 4.340 -0.001 0.000 0.271 620 L C 1.173 178.049 176.870 0.010 0.000 1.169 620 L CA 0.357 55.198 54.840 0.002 0.000 0.836 620 L CB 1.220 43.390 42.059 0.186 0.000 1.112 620 L HN 0.808 nan 8.230 nan 0.000 0.465 621 T N -0.988 113.668 114.554 0.171 0.000 2.724 621 T HA 0.334 4.684 4.350 -0.001 0.000 0.274 621 T C -0.469 174.241 174.700 0.016 0.000 0.984 621 T CA -0.952 61.182 62.100 0.057 0.000 1.024 621 T CB 1.566 70.518 68.868 0.139 0.000 1.320 621 T HN 0.301 nan 8.240 nan 0.000 0.555 622 Q N 0.291 119.974 119.800 -0.196 0.000 2.261 622 Q HA 0.657 4.997 4.340 -0.001 0.000 0.252 622 Q C 0.025 175.673 176.000 -0.586 0.000 0.915 622 Q CA 0.261 55.825 55.803 -0.397 0.000 0.915 622 Q CB 0.938 29.467 28.738 -0.348 0.000 1.204 622 Q HN 1.162 nan 8.270 nan 0.000 0.421 623 G N 2.619 110.794 108.800 -1.042 0.000 2.430 623 G HA2 0.272 4.231 3.960 -0.001 0.000 0.300 623 G HA3 0.272 4.231 3.960 -0.001 0.000 0.300 623 G C -2.595 171.595 174.900 -1.183 0.000 1.330 623 G CA -0.794 43.366 45.100 -1.565 0.000 0.813 623 G HN 0.346 nan 8.290 nan 0.000 0.487 624 P HA 0.017 nan 4.420 nan 0.000 0.225 624 P C 1.260 178.363 177.300 -0.329 0.000 1.148 624 P CA 1.376 64.261 63.100 -0.359 0.000 0.779 624 P CB -0.029 31.603 31.700 -0.113 0.000 0.780 625 W N -2.550 118.499 121.300 -0.419 0.000 2.476 625 W HA 0.086 4.746 4.660 -0.001 0.000 0.281 625 W C 0.808 177.159 176.519 -0.279 0.000 1.230 625 W CA -0.362 56.532 57.345 -0.751 0.000 1.287 625 W CB -1.364 27.248 29.460 -1.413 0.000 1.108 625 W HN -0.135 nan 8.180 nan 0.000 0.567 626 W N 4.403 125.423 121.300 -0.467 0.000 2.497 626 W HA 0.387 5.046 4.660 -0.001 0.000 0.354 626 W C -0.607 175.779 176.519 -0.222 0.000 1.111 626 W CA -0.402 56.799 57.345 -0.240 0.000 1.510 626 W CB 0.049 29.335 29.460 -0.290 0.000 1.466 626 W HN -0.063 nan 8.180 nan 0.000 0.409 627 R N 6.445 126.695 120.500 -0.416 0.000 2.687 627 R HA 0.167 4.506 4.340 -0.001 0.000 0.264 627 R C -2.427 173.625 176.300 -0.414 0.000 1.715 627 R CA -1.495 54.417 56.100 -0.312 0.000 1.633 627 R CB 1.211 31.399 30.300 -0.186 0.000 1.353 627 R HN 0.137 nan 8.270 nan 0.000 0.653 628 P HA -0.041 nan 4.420 nan 0.000 0.263 628 P C -0.577 176.583 177.300 -0.233 0.000 1.195 628 P CA 0.510 63.329 63.100 -0.467 0.000 0.762 628 P CB 1.039 32.434 31.700 -0.509 0.000 0.799 629 E N 2.804 122.889 120.200 -0.192 0.000 2.320 629 E HA 0.471 4.820 4.350 -0.001 0.000 0.264 629 E C -0.396 176.232 176.600 0.046 0.000 0.923 629 E CA -1.082 55.313 56.400 -0.007 0.000 0.796 629 E CB 2.241 32.048 29.700 0.179 0.000 1.262 629 E HN 0.395 nan 8.360 nan 0.000 0.428 630 R N 1.278 121.844 120.500 0.111 0.000 2.409 630 R HA 0.367 4.706 4.340 -0.001 0.000 0.313 630 R C -1.321 175.082 176.300 0.172 0.000 0.953 630 R CA -0.641 55.529 56.100 0.117 0.000 0.849 630 R CB 0.566 30.900 30.300 0.057 0.000 1.171 630 R HN 0.355 nan 8.270 nan 0.000 0.458 631 L N 4.069 125.446 121.223 0.256 0.000 2.295 631 L HA 0.549 4.889 4.340 -0.001 0.000 0.285 631 L C -0.915 176.071 176.870 0.194 0.000 1.035 631 L CA -0.106 54.867 54.840 0.223 0.000 0.806 631 L CB 1.235 43.482 42.059 0.313 0.000 1.214 631 L HN 0.619 nan 8.230 nan 0.000 0.426 632 R N 4.282 124.837 120.500 0.091 0.000 2.439 632 R HA 0.712 5.051 4.340 -0.001 0.000 0.310 632 R C -1.544 174.791 176.300 0.059 0.000 0.955 632 R CA -0.818 55.322 56.100 0.066 0.000 0.853 632 R CB 2.131 32.427 30.300 -0.006 0.000 1.171 632 R HN 0.486 nan 8.270 nan 0.000 0.449 633 V N 3.883 123.880 119.914 0.139 0.000 2.444 633 V HA 0.422 4.541 4.120 -0.001 0.000 0.294 633 V C -0.019 176.127 176.094 0.086 0.000 1.022 633 V CA -0.914 61.477 62.300 0.152 0.000 0.850 633 V CB 1.819 33.835 31.823 0.321 0.000 0.992 633 V HN 0.578 nan 8.190 nan 0.000 0.426 634 R N 4.717 125.201 120.500 -0.027 0.000 2.215 634 R HA 0.459 4.799 4.340 -0.001 0.000 0.336 634 R C -0.822 175.453 176.300 -0.042 0.000 0.996 634 R CA -0.618 55.427 56.100 -0.092 0.000 0.847 634 R CB 1.354 31.575 30.300 -0.132 0.000 1.127 634 R HN 0.504 nan 8.270 nan 0.000 0.465 635 I N 6.551 127.124 120.570 0.006 0.000 2.260 635 I HA 0.038 4.207 4.170 -0.001 0.000 0.297 635 I C 1.668 177.881 176.117 0.160 0.000 1.143 635 I CA 0.036 61.388 61.300 0.087 0.000 1.271 635 I CB -0.112 37.950 38.000 0.103 0.000 1.461 635 I HN 0.540 nan 8.210 nan 0.000 0.530 636 I N 3.582 124.226 120.570 0.123 0.000 2.130 636 I HA -0.144 4.026 4.170 -0.001 0.000 0.232 636 I C 1.264 177.579 176.117 0.330 0.000 1.064 636 I CA 1.068 62.488 61.300 0.199 0.000 1.338 636 I CB -0.085 38.022 38.000 0.178 0.000 1.084 636 I HN 0.660 nan 8.210 nan 0.000 0.404 637 S N -0.661 115.254 115.700 0.359 0.000 2.697 637 S HA 0.777 5.246 4.470 -0.001 0.000 0.289 637 S C -0.496 174.345 174.600 0.402 0.000 1.149 637 S CA -0.434 57.952 58.200 0.310 0.000 0.850 637 S CB 1.883 65.178 63.200 0.158 0.000 1.151 637 S HN 0.321 nan 8.310 nan 0.000 0.491 638 G N 0.578 109.566 108.800 0.314 0.000 2.571 638 G HA2 0.646 4.605 3.960 -0.001 0.000 0.304 638 G HA3 0.646 4.605 3.960 -0.001 0.000 0.304 638 G C -1.624 173.312 174.900 0.060 0.000 1.314 638 G CA -0.787 44.494 45.100 0.302 0.000 0.975 638 G HN 0.784 nan 8.290 nan 0.000 0.485 639 Q N 0.830 120.630 119.800 0.000 0.000 2.331 639 Q HA 0.380 4.720 4.340 -0.001 0.000 0.272 639 Q C -0.393 175.519 176.000 -0.146 0.000 1.062 639 Q CA -0.956 54.754 55.803 -0.155 0.000 0.806 639 Q CB 1.769 30.383 28.738 -0.207 0.000 1.312 639 Q HN 0.776 nan 8.270 nan 0.000 0.431 640 Q N 1.174 120.846 119.800 -0.212 0.000 2.452 640 Q HA -0.185 4.154 4.340 -0.001 0.000 0.318 640 Q C -0.727 175.251 176.000 -0.036 0.000 1.386 640 Q CA 0.106 55.862 55.803 -0.079 0.000 0.872 640 Q CB -1.163 27.533 28.738 -0.070 0.000 1.151 640 Q HN 0.460 nan 8.270 nan 0.000 0.417 641 L N 2.055 123.270 121.223 -0.015 0.000 2.499 641 L HA 0.139 4.479 4.340 -0.001 0.000 0.273 641 L C -1.163 175.669 176.870 -0.063 0.000 1.195 641 L CA -0.859 53.963 54.840 -0.030 0.000 0.882 641 L CB -0.237 41.840 42.059 0.029 0.000 1.133 641 L HN 0.141 nan 8.230 nan 0.000 0.483 642 P HA 0.066 nan 4.420 nan 0.000 0.271 642 P C -0.952 176.292 177.300 -0.093 0.000 1.216 642 P CA -0.599 62.375 63.100 -0.209 0.000 0.776 642 P CB 0.381 31.734 31.700 -0.579 0.000 0.881 643 K N 2.808 123.185 120.400 -0.038 0.000 2.378 643 K HA 0.168 4.487 4.320 -0.001 0.000 0.288 643 K C 0.273 176.886 176.600 0.022 0.000 1.057 643 K CA -0.516 55.774 56.287 0.004 0.000 0.971 643 K CB -0.109 32.401 32.500 0.017 0.000 0.975 643 K HN 0.337 nan 8.250 nan 0.000 0.475 644 V N 0.935 120.873 119.914 0.040 0.000 2.470 644 V HA 0.088 4.208 4.120 -0.001 0.000 0.276 644 V C 0.572 176.706 176.094 0.067 0.000 1.040 644 V CA -0.830 61.513 62.300 0.073 0.000 1.008 644 V CB -0.431 31.446 31.823 0.090 0.000 0.990 644 V HN 0.995 nan 8.190 nan 0.000 0.477 652 V N 1.018 120.968 119.914 0.059 0.000 2.808 652 V HA 0.318 4.437 4.120 -0.001 0.000 0.308 652 V C -1.677 174.477 176.094 0.100 0.000 1.099 652 V CA -0.488 61.859 62.300 0.077 0.000 0.920 652 V CB 2.273 34.141 31.823 0.075 0.000 1.014 652 V HN 0.695 nan 8.190 nan 0.000 0.425 653 D N 5.998 126.476 120.400 0.130 0.000 2.499 653 D HA 0.417 5.057 4.640 -0.001 0.000 0.225 653 D C -2.692 173.741 176.300 0.223 0.000 1.124 653 D CA -1.155 52.948 54.000 0.171 0.000 0.938 653 D CB 1.170 42.101 40.800 0.218 0.000 1.014 653 D HN 0.319 nan 8.370 nan 0.000 0.517 654 P HA 0.245 nan 4.420 nan 0.000 0.276 654 P C -0.816 176.743 177.300 0.431 0.000 1.244 654 P CA -0.697 62.601 63.100 0.330 0.000 0.801 654 P CB 0.766 32.720 31.700 0.423 0.000 1.006 655 K N -0.533 120.023 120.400 0.260 0.000 2.543 655 K HA 0.594 4.914 4.320 -0.001 0.000 0.255 655 K C -1.766 174.749 176.600 -0.142 0.000 0.934 655 K CA -0.994 55.347 56.287 0.090 0.000 0.810 655 K CB 1.293 33.855 32.500 0.103 0.000 1.315 655 K HN 0.029 nan 8.250 nan 0.000 0.433 656 V N 3.436 123.101 119.914 -0.414 0.000 2.398 656 V HA 0.377 4.496 4.120 -0.001 0.000 0.286 656 V C -0.462 175.500 176.094 -0.220 0.000 1.026 656 V CA -0.826 61.266 62.300 -0.346 0.000 0.868 656 V CB 0.995 32.499 31.823 -0.531 0.000 0.982 656 V HN 0.633 nan 8.190 nan 0.000 0.443 657 I N 5.113 125.591 120.570 -0.153 0.000 2.392 657 I HA 0.456 4.625 4.170 -0.001 0.000 0.295 657 I C -0.108 175.884 176.117 -0.208 0.000 0.985 657 I CA -0.166 61.030 61.300 -0.173 0.000 1.221 657 I CB 1.845 39.789 38.000 -0.092 0.000 1.366 657 I HN 0.292 nan 8.210 nan 0.000 0.467 658 V N 6.338 126.057 119.914 -0.324 0.000 2.444 658 V HA 0.487 4.607 4.120 -0.001 0.000 0.294 658 V C -0.379 175.532 176.094 -0.305 0.000 1.022 658 V CA -0.633 61.449 62.300 -0.363 0.000 0.850 658 V CB 1.442 33.055 31.823 -0.350 0.000 0.992 658 V HN 0.828 nan 8.190 nan 0.000 0.426 659 E N 5.625 125.588 120.200 -0.395 0.000 2.288 659 E HA 0.664 5.013 4.350 -0.001 0.000 0.268 659 E C -1.580 174.664 176.600 -0.594 0.000 0.885 659 E CA -1.009 55.126 56.400 -0.441 0.000 0.767 659 E CB 2.851 32.330 29.700 -0.367 0.000 1.220 659 E HN 0.313 nan 8.360 nan 0.000 0.427 660 I N 2.486 122.670 120.570 -0.643 0.000 2.378 660 I HA 0.251 4.420 4.170 -0.001 0.000 0.291 660 I C -0.388 175.467 176.117 -0.437 0.000 0.992 660 I CA -0.612 60.390 61.300 -0.496 0.000 1.154 660 I CB 1.014 38.731 38.000 -0.473 0.000 1.315 660 I HN 0.567 nan 8.210 nan 0.000 0.448 661 H N 4.713 123.722 119.070 -0.100 0.000 2.539 661 H HA 0.680 5.235 4.556 -0.001 0.000 0.332 661 H C 0.308 175.632 175.328 -0.008 0.000 1.031 661 H CA -0.319 55.707 56.048 -0.036 0.000 1.206 661 H CB 2.248 32.008 29.762 -0.004 0.000 1.446 661 H HN 0.879 nan 8.280 nan 0.000 0.496 662 G N 1.683 110.536 108.800 0.088 0.000 2.635 662 G HA2 0.284 4.243 3.960 -0.001 0.000 0.194 662 G HA3 0.284 4.243 3.960 -0.001 0.000 0.194 662 G C -0.150 174.791 174.900 0.068 0.000 1.198 662 G CA -0.018 45.124 45.100 0.070 0.000 0.972 662 G HN 0.486 nan 8.290 nan 0.000 0.520 663 V N 0.106 120.056 119.914 0.060 0.000 3.503 663 V HA 0.573 4.693 4.120 -0.001 0.000 0.300 663 V C 2.010 178.128 176.094 0.041 0.000 1.099 663 V CA 1.070 63.414 62.300 0.073 0.000 1.117 663 V CB 0.193 32.081 31.823 0.107 0.000 1.122 663 V HN 1.616 nan 8.190 nan 0.000 0.476 664 G N 0.499 109.321 108.800 0.037 0.000 2.553 664 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.218 664 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.218 664 G C 1.524 176.438 174.900 0.025 0.000 1.195 664 G CA 1.282 46.398 45.100 0.026 0.000 0.779 664 G HN 0.853 nan 8.290 nan 0.000 0.577 665 R N 0.394 120.917 120.500 0.039 0.000 2.096 665 R HA -0.076 4.264 4.340 -0.001 0.000 0.240 665 R C 2.148 178.452 176.300 0.007 0.000 1.139 665 R CA 1.579 57.702 56.100 0.039 0.000 0.952 665 R CB -0.429 29.914 30.300 0.073 0.000 0.854 665 R HN 0.265 nan 8.270 nan 0.000 0.436 666 D N 0.077 120.465 120.400 -0.020 0.000 2.348 666 D HA -0.041 4.599 4.640 -0.001 0.000 0.216 666 D C 0.166 176.432 176.300 -0.057 0.000 0.970 666 D CA 0.834 54.801 54.000 -0.055 0.000 0.889 666 D CB -0.135 40.602 40.800 -0.106 0.000 0.912 666 D HN 0.079 nan 8.370 nan 0.000 0.524 667 T N 1.048 115.577 114.554 -0.041 0.000 2.751 667 T HA 0.481 4.831 4.350 -0.001 0.000 0.290 667 T C 0.513 175.175 174.700 -0.063 0.000 0.919 667 T CA -0.033 62.023 62.100 -0.074 0.000 1.136 667 T CB 0.889 69.733 68.868 -0.039 0.000 0.875 667 T HN 0.122 nan 8.240 nan 0.000 0.532 668 G N 1.326 110.068 108.800 -0.097 0.000 2.687 668 G HA2 0.684 4.643 3.960 -0.001 0.000 0.291 668 G HA3 0.684 4.643 3.960 -0.001 0.000 0.291 668 G C -1.403 173.479 174.900 -0.031 0.000 1.420 668 G CA -0.630 44.463 45.100 -0.011 0.000 0.796 668 G HN 0.656 nan 8.290 nan 0.000 0.485 669 S N -1.151 114.585 115.700 0.060 0.000 2.565 669 S HA 0.817 5.286 4.470 -0.001 0.000 0.269 669 S C -1.465 173.131 174.600 -0.007 0.000 1.153 669 S CA -0.808 57.407 58.200 0.024 0.000 0.835 669 S CB 1.616 64.769 63.200 -0.078 0.000 1.122 669 S HN 0.734 nan 8.310 nan 0.000 0.462 670 R N 1.667 122.076 120.500 -0.150 0.000 2.774 670 R HA 0.528 4.868 4.340 -0.001 0.000 0.272 670 R C -1.280 174.706 176.300 -0.523 0.000 1.000 670 R CA -0.739 55.119 56.100 -0.404 0.000 0.906 670 R CB 1.634 31.424 30.300 -0.850 0.000 1.227 670 R HN 0.911 nan 8.270 nan 0.000 0.468 671 Q N -0.867 118.722 119.800 -0.352 0.000 2.456 671 Q HA 0.600 4.940 4.340 -0.001 0.000 0.284 671 Q C -0.802 175.252 176.000 0.090 0.000 1.061 671 Q CA -0.939 54.745 55.803 -0.199 0.000 0.799 671 Q CB 2.179 30.861 28.738 -0.092 0.000 1.445 671 Q HN 0.637 nan 8.270 nan 0.000 0.411 672 T N -1.752 112.863 114.554 0.102 0.000 2.923 672 T HA 0.804 5.154 4.350 -0.001 0.000 0.281 672 T C 0.330 175.098 174.700 0.113 0.000 0.995 672 T CA -0.302 61.892 62.100 0.157 0.000 0.985 672 T CB 1.197 69.999 68.868 -0.109 0.000 1.114 672 T HN 0.822 nan 8.240 nan 0.000 0.548 673 A N 0.844 123.785 122.820 0.202 0.000 2.406 673 A HA 0.552 4.871 4.320 -0.001 0.000 0.243 673 A C 0.303 178.045 177.584 0.263 0.000 1.082 673 A CA -0.689 51.452 52.037 0.172 0.000 0.786 673 A CB -0.134 18.963 19.000 0.162 0.000 1.029 673 A HN 0.838 nan 8.150 nan 0.000 0.495 674 V N 2.911 122.893 119.914 0.114 0.000 2.530 674 V HA 0.144 4.263 4.120 -0.001 0.000 0.282 674 V C 0.078 176.266 176.094 0.157 0.000 1.048 674 V CA -0.324 62.065 62.300 0.148 0.000 0.997 674 V CB 0.852 32.638 31.823 -0.061 0.000 0.987 674 V HN 0.583 nan 8.190 nan 0.000 0.477 675 I N 3.887 124.579 120.570 0.202 0.000 2.342 675 I HA 0.245 4.414 4.170 -0.001 0.000 0.291 675 I C 0.739 176.885 176.117 0.048 0.000 1.010 675 I CA 0.028 61.338 61.300 0.015 0.000 1.308 675 I CB 1.313 39.183 38.000 -0.217 0.000 1.400 675 I HN 0.582 nan 8.210 nan 0.000 0.488 676 T N 6.266 120.834 114.554 0.023 0.000 2.851 676 T HA 0.110 4.460 4.350 -0.001 0.000 0.298 676 T C 0.478 175.197 174.700 0.032 0.000 0.977 676 T CA -0.256 61.871 62.100 0.046 0.000 1.126 676 T CB -0.347 68.543 68.868 0.036 0.000 0.916 676 T HN 0.559 nan 8.240 nan 0.000 0.529 677 N N 2.710 121.441 118.700 0.052 0.000 2.678 677 N HA -0.199 4.540 4.740 -0.001 0.000 0.268 677 N C -0.709 174.819 175.510 0.029 0.000 1.010 677 N CA 0.335 53.410 53.050 0.042 0.000 0.784 677 N CB -0.759 37.747 38.487 0.031 0.000 0.905 677 N HN 0.516 nan 8.380 nan 0.000 0.552 678 N N -0.834 117.887 118.700 0.035 0.000 2.875 678 N HA 0.341 5.081 4.740 -0.001 0.000 0.253 678 N C 0.445 175.981 175.510 0.043 0.000 1.296 678 N CA 0.152 53.219 53.050 0.029 0.000 0.816 678 N CB 0.701 39.172 38.487 -0.026 0.000 1.504 678 N HN 0.229 nan 8.380 nan 0.000 0.582 679 G N 0.818 109.670 108.800 0.087 0.000 2.709 679 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.208 679 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.208 679 G C 0.977 175.936 174.900 0.098 0.000 1.129 679 G CA -0.039 45.117 45.100 0.092 0.000 0.793 679 G HN 0.459 nan 8.290 nan 0.000 0.524 680 F N 3.010 122.951 119.950 -0.015 0.000 2.146 680 F HA 0.015 4.541 4.527 -0.001 0.000 0.298 680 F C 1.457 177.241 175.800 -0.026 0.000 1.096 680 F CA 1.586 59.575 58.000 -0.019 0.000 1.275 680 F CB 0.407 39.393 39.000 -0.023 0.000 1.008 680 F HN 0.293 nan 8.300 nan 0.000 0.480 681 N N -0.696 118.001 118.700 -0.005 0.000 2.598 681 N HA 0.193 4.932 4.740 -0.001 0.000 0.295 681 N C -3.088 172.333 175.510 -0.148 0.000 1.729 681 N CA -1.148 51.827 53.050 -0.126 0.000 0.877 681 N CB -0.429 38.058 38.487 -0.000 0.000 1.405 681 N HN 0.103 nan 8.380 nan 0.000 0.491 682 P HA 0.060 nan 4.420 nan 0.000 0.266 682 P C -0.534 176.345 177.300 -0.702 0.000 1.195 682 P CA 0.126 62.896 63.100 -0.549 0.000 0.768 682 P CB 1.106 32.380 31.700 -0.709 0.000 0.838 683 R N 3.601 123.678 120.500 -0.705 0.000 2.483 683 R HA 0.220 4.560 4.340 -0.001 0.000 0.303 683 R C 0.229 176.288 176.300 -0.402 0.000 0.987 683 R CA -0.552 55.311 56.100 -0.396 0.000 0.881 683 R CB 0.764 30.969 30.300 -0.158 0.000 1.177 683 R HN 0.557 nan 8.270 nan 0.000 0.451 684 W N 1.863 123.181 121.300 0.029 0.000 2.699 684 W HA 0.094 4.754 4.660 -0.001 0.000 0.265 684 W C -0.046 176.462 176.519 -0.019 0.000 1.210 684 W CA 0.013 57.365 57.345 0.010 0.000 1.414 684 W CB 0.326 29.801 29.460 0.025 0.000 1.043 684 W HN 0.599 nan 8.180 nan 0.000 0.599 685 D N 0.666 121.199 120.400 0.221 0.000 2.686 685 D HA -0.208 4.431 4.640 -0.001 0.000 0.235 685 D C -0.255 176.057 176.300 0.018 0.000 1.160 685 D CA 1.138 55.197 54.000 0.099 0.000 0.645 685 D CB -1.422 39.419 40.800 0.068 0.000 1.039 685 D HN 0.172 nan 8.370 nan 0.000 0.423 686 M N 0.662 120.242 119.600 -0.033 0.000 2.243 686 M HA 0.237 4.716 4.480 -0.001 0.000 0.324 686 M C -0.239 175.744 176.300 -0.528 0.000 1.031 686 M CA -0.520 54.623 55.300 -0.261 0.000 0.949 686 M CB 1.891 34.317 32.600 -0.290 0.000 1.615 686 M HN -0.032 nan 8.290 nan 0.000 0.430 687 E N 3.534 123.438 120.200 -0.492 0.000 2.231 687 E HA 0.484 4.833 4.350 -0.001 0.000 0.277 687 E C -1.729 174.496 176.600 -0.624 0.000 0.999 687 E CA -0.450 55.676 56.400 -0.458 0.000 0.827 687 E CB 1.140 30.711 29.700 -0.216 0.000 1.101 687 E HN 0.566 nan 8.360 nan 0.000 0.393 688 F N 1.361 121.250 119.950 -0.102 0.000 2.594 688 F HA 0.451 4.978 4.527 -0.001 0.000 0.335 688 F C -0.001 175.644 175.800 -0.258 0.000 1.058 688 F CA -0.819 57.041 58.000 -0.233 0.000 0.981 688 F CB 1.764 40.587 39.000 -0.295 0.000 1.289 688 F HN 0.393 nan 8.300 nan 0.000 0.490 689 E N 1.095 121.155 120.200 -0.233 0.000 2.287 689 E HA 0.446 4.795 4.350 -0.001 0.000 0.274 689 E C -2.063 174.345 176.600 -0.319 0.000 0.896 689 E CA -0.370 55.929 56.400 -0.168 0.000 0.788 689 E CB 1.172 30.825 29.700 -0.079 0.000 1.244 689 E HN 0.401 nan 8.360 nan 0.000 0.408 690 F N 1.641 121.620 119.950 0.047 0.000 2.522 690 F HA 0.420 4.947 4.527 -0.001 0.000 0.324 690 F C 0.438 176.250 175.800 0.020 0.000 1.077 690 F CA -0.926 57.087 58.000 0.022 0.000 0.944 690 F CB 1.621 40.631 39.000 0.017 0.000 1.175 690 F HN 0.225 nan 8.300 nan 0.000 0.468 691 E N 2.071 122.371 120.200 0.166 0.000 2.113 691 E HA 0.422 4.771 4.350 -0.001 0.000 0.273 691 E C -1.527 175.056 176.600 -0.029 0.000 0.924 691 E CA -0.406 56.021 56.400 0.046 0.000 0.764 691 E CB 1.782 31.486 29.700 0.007 0.000 1.104 691 E HN 0.425 nan 8.360 nan 0.000 0.406 692 V N 4.955 124.786 119.914 -0.139 0.000 2.313 692 V HA 0.101 4.221 4.120 -0.001 0.000 0.278 692 V C 1.514 177.325 176.094 -0.472 0.000 1.017 692 V CA -0.175 61.927 62.300 -0.330 0.000 0.823 692 V CB 0.976 32.446 31.823 -0.589 0.000 1.010 692 V HN 0.804 nan 8.190 nan 0.000 0.443 693 T N 1.741 115.997 114.554 -0.496 0.000 2.904 693 T HA -0.011 4.338 4.350 -0.001 0.000 0.267 693 T C 0.631 174.916 174.700 -0.692 0.000 1.059 693 T CA 0.737 62.338 62.100 -0.833 0.000 1.137 693 T CB 0.068 68.243 68.868 -1.155 0.000 0.879 693 T HN 0.355 nan 8.240 nan 0.000 0.467 694 V N 3.076 122.743 119.914 -0.413 0.000 2.313 694 V HA 0.311 4.431 4.120 -0.001 0.000 0.262 694 V C -1.988 173.908 176.094 -0.329 0.000 1.011 694 V CA -1.577 60.580 62.300 -0.239 0.000 0.858 694 V CB 1.163 32.997 31.823 0.019 0.000 1.104 694 V HN 0.162 nan 8.190 nan 0.000 0.456 695 P HA -0.102 nan 4.420 nan 0.000 0.219 695 P C 1.008 178.030 177.300 -0.464 0.000 1.146 695 P CA 1.141 63.661 63.100 -0.967 0.000 0.808 695 P CB 0.297 31.175 31.700 -1.369 0.000 0.779 696 D N -1.116 119.184 120.400 -0.166 0.000 2.348 696 D HA 0.001 4.640 4.640 -0.001 0.000 0.216 696 D C 1.429 177.724 176.300 -0.008 0.000 0.970 696 D CA 0.849 54.848 54.000 -0.001 0.000 0.889 696 D CB -0.002 40.886 40.800 0.147 0.000 0.912 696 D HN 0.281 nan 8.370 nan 0.000 0.524 697 L N -0.155 121.070 121.223 0.003 0.000 2.808 697 L HA 0.328 4.668 4.340 -0.001 0.000 0.246 697 L C 0.710 177.599 176.870 0.033 0.000 1.153 697 L CA -0.275 54.582 54.840 0.028 0.000 0.956 697 L CB 0.510 42.636 42.059 0.112 0.000 1.270 697 L HN -0.172 nan 8.230 nan 0.000 0.528 698 A N 0.672 123.487 122.820 -0.008 0.000 2.294 698 A HA 0.826 5.146 4.320 -0.001 0.000 0.330 698 A C -0.839 176.820 177.584 0.125 0.000 1.133 698 A CA -0.247 51.809 52.037 0.032 0.000 0.836 698 A CB 1.114 20.063 19.000 -0.084 0.000 1.190 698 A HN 0.115 nan 8.150 nan 0.000 0.492 699 L N 0.530 121.836 121.223 0.138 0.000 2.445 699 L HA 0.507 4.847 4.340 -0.001 0.000 0.262 699 L C -0.794 176.135 176.870 0.098 0.000 0.974 699 L CA -0.420 54.502 54.840 0.136 0.000 0.822 699 L CB 2.259 44.392 42.059 0.123 0.000 1.339 699 L HN 0.400 nan 8.230 nan 0.000 0.409 700 V N 2.214 122.148 119.914 0.034 0.000 2.370 700 V HA 0.567 4.687 4.120 -0.001 0.000 0.283 700 V C -0.138 175.869 176.094 -0.146 0.000 1.023 700 V CA -0.589 61.617 62.300 -0.156 0.000 0.857 700 V CB 1.490 33.165 31.823 -0.247 0.000 0.985 700 V HN 0.689 nan 8.190 nan 0.000 0.443 701 R N 3.961 124.333 120.500 -0.214 0.000 2.437 701 R HA 0.603 4.942 4.340 -0.001 0.000 0.310 701 R C -1.642 174.471 176.300 -0.311 0.000 0.955 701 R CA -0.506 55.540 56.100 -0.089 0.000 0.851 701 R CB 1.083 31.462 30.300 0.131 0.000 1.161 701 R HN 0.523 nan 8.270 nan 0.000 0.446 702 F N 4.256 124.213 119.950 0.011 0.000 2.415 702 F HA 0.484 5.010 4.527 -0.001 0.000 0.348 702 F C 0.406 176.190 175.800 -0.027 0.000 1.119 702 F CA -0.599 57.385 58.000 -0.027 0.000 1.069 702 F CB 1.717 40.702 39.000 -0.025 0.000 1.124 702 F HN 0.166 nan 8.300 nan 0.000 0.472 703 M N 4.260 123.904 119.600 0.072 0.000 2.263 703 M HA 0.495 4.975 4.480 -0.001 0.000 0.295 703 M C -1.699 174.562 176.300 -0.066 0.000 1.028 703 M CA -0.704 54.599 55.300 0.005 0.000 0.921 703 M CB 2.139 34.755 32.600 0.026 0.000 1.601 703 M HN 0.293 nan 8.290 nan 0.000 0.440 704 V N 4.146 123.975 119.914 -0.141 0.000 2.384 704 V HA 0.491 4.611 4.120 -0.001 0.000 0.287 704 V C -0.184 175.824 176.094 -0.144 0.000 1.020 704 V CA -0.719 61.504 62.300 -0.128 0.000 0.850 704 V CB 1.692 33.457 31.823 -0.096 0.000 0.987 704 V HN 0.785 nan 8.190 nan 0.000 0.436 705 E N 2.063 122.243 120.200 -0.033 0.000 2.249 705 E HA 0.426 4.776 4.350 -0.001 0.000 0.263 705 E C -1.295 175.358 176.600 0.088 0.000 0.950 705 E CA -0.838 55.580 56.400 0.030 0.000 0.827 705 E CB 2.166 31.915 29.700 0.082 0.000 1.220 705 E HN 0.654 nan 8.360 nan 0.000 0.411 706 D N 1.356 121.815 120.400 0.099 0.000 2.454 706 D HA 0.083 4.722 4.640 -0.001 0.000 0.225 706 D C -1.321 175.058 176.300 0.131 0.000 1.081 706 D CA -0.458 53.611 54.000 0.116 0.000 0.864 706 D CB 0.004 40.853 40.800 0.081 0.000 1.040 706 D HN 0.275 nan 8.370 nan 0.000 0.517 707 Y N 3.224 123.569 120.300 0.075 0.000 2.610 707 Y HA 0.280 4.830 4.550 -0.000 0.000 0.332 707 Y C -0.263 175.672 175.900 0.059 0.000 1.201 707 Y CA 0.533 58.674 58.100 0.069 0.000 1.465 707 Y CB 0.622 39.128 38.460 0.077 0.000 1.283 707 Y HN 0.284 nan 8.280 nan 0.000 0.563 708 D N 3.675 123.508 120.400 -0.945 0.000 2.354 708 D HA 0.053 4.692 4.640 -0.001 0.000 0.230 708 D C 0.430 176.254 176.300 -0.794 0.000 1.361 708 D CA 0.343 53.945 54.000 -0.663 0.000 0.992 708 D CB 1.225 41.869 40.800 -0.260 0.000 1.409 708 D HN 0.684 nan 8.370 nan 0.000 0.573 709 S N 1.776 117.021 115.700 -0.759 0.000 2.387 709 S HA -0.119 4.350 4.470 -0.001 0.000 0.230 709 S C 0.898 175.422 174.600 -0.127 0.000 1.035 709 S CA 0.827 58.856 58.200 -0.285 0.000 1.014 709 S CB 0.003 63.220 63.200 0.028 0.000 0.836 709 S HN 0.243 nan 8.310 nan 0.000 0.466 710 S N 0.230 115.861 115.700 -0.115 0.000 2.158 710 S HA 0.692 5.161 4.470 -0.001 0.000 0.160 710 S C -0.023 174.541 174.600 -0.060 0.000 1.693 710 S CA -0.232 57.934 58.200 -0.057 0.000 1.251 710 S CB 0.942 64.127 63.200 -0.025 0.000 1.153 710 S HN 0.490 nan 8.310 nan 0.000 0.439 711 S N 1.528 117.188 115.700 -0.068 0.000 3.709 711 S HA 0.044 4.514 4.470 -0.001 0.000 0.110 711 S C -0.720 173.854 174.600 -0.045 0.000 0.819 711 S CA -0.126 58.046 58.200 -0.048 0.000 1.430 711 S CB -0.278 62.893 63.200 -0.049 0.000 0.929 711 S HN 0.427 nan 8.310 nan 0.000 0.712 712 K N 1.875 122.235 120.400 -0.066 0.000 7.082 712 K HA -0.107 4.212 4.320 -0.001 0.000 0.594 712 K C -1.278 175.296 176.600 -0.043 0.000 2.575 712 K CA 0.731 56.995 56.287 -0.039 0.000 2.012 712 K CB -0.866 31.635 32.500 0.000 0.000 2.349 712 K HN 0.591 nan 8.250 nan 0.000 0.193 713 N N 3.021 121.710 118.700 -0.018 0.000 2.454 713 N HA 0.034 4.774 4.740 -0.001 0.000 0.254 713 N C -0.538 175.011 175.510 0.064 0.000 1.228 713 N CA 0.264 53.325 53.050 0.020 0.000 0.900 713 N CB 0.230 38.772 38.487 0.093 0.000 1.089 713 N HN 0.266 nan 8.380 nan 0.000 0.449 714 D N 0.661 121.105 120.400 0.074 0.000 2.249 714 D HA 0.134 4.773 4.640 -0.001 0.000 0.246 714 D C -0.199 176.204 176.300 0.171 0.000 1.114 714 D CA -0.442 53.627 54.000 0.116 0.000 0.854 714 D CB 0.394 41.248 40.800 0.091 0.000 1.132 714 D HN 0.350 nan 8.370 nan 0.000 0.461 715 F N 2.605 122.586 119.950 0.052 0.000 2.571 715 F HA 0.114 4.640 4.527 -0.001 0.000 0.384 715 F C 0.464 176.312 175.800 0.081 0.000 1.058 715 F CA 0.207 58.246 58.000 0.065 0.000 1.200 715 F CB 0.235 39.269 39.000 0.057 0.000 1.077 715 F HN 0.413 nan 8.300 nan 0.000 0.558 716 I N 3.981 124.353 120.570 -0.331 0.000 2.685 716 I HA 0.295 4.465 4.170 -0.001 0.000 0.251 716 I C 1.316 177.230 176.117 -0.339 0.000 1.102 716 I CA 0.622 61.797 61.300 -0.207 0.000 1.442 716 I CB -0.305 37.621 38.000 -0.122 0.000 1.194 716 I HN 0.723 nan 8.210 nan 0.000 0.448 717 G N 0.061 108.412 108.800 -0.749 0.000 2.523 717 G HA2 0.569 4.529 3.960 -0.001 0.000 0.291 717 G HA3 0.569 4.529 3.960 -0.001 0.000 0.291 717 G C -1.974 172.633 174.900 -0.488 0.000 1.450 717 G CA -0.305 44.541 45.100 -0.424 0.000 0.790 717 G HN 0.153 nan 8.290 nan 0.000 0.496 718 Q N -1.447 118.312 119.800 -0.069 0.000 2.685 718 Q HA 0.839 5.178 4.340 -0.001 0.000 0.301 718 Q C -1.063 175.024 176.000 0.146 0.000 0.924 718 Q CA -0.785 55.061 55.803 0.072 0.000 0.755 718 Q CB 1.645 30.515 28.738 0.220 0.000 1.470 718 Q HN 1.397 nan 8.270 nan 0.000 0.434 719 S N -0.438 115.377 115.700 0.191 0.000 2.548 719 S HA 0.734 5.203 4.470 -0.001 0.000 0.278 719 S C -1.587 173.174 174.600 0.268 0.000 1.150 719 S CA -0.316 58.005 58.200 0.202 0.000 0.907 719 S CB 1.615 64.923 63.200 0.180 0.000 1.108 719 S HN 0.686 nan 8.310 nan 0.000 0.459 720 T N 4.740 119.427 114.554 0.221 0.000 2.824 720 T HA 0.634 4.984 4.350 -0.001 0.000 0.282 720 T C -0.765 174.102 174.700 0.279 0.000 0.993 720 T CA -0.368 61.858 62.100 0.210 0.000 0.967 720 T CB 0.736 69.677 68.868 0.121 0.000 0.960 720 T HN 0.558 nan 8.240 nan 0.000 0.441 721 I N 4.461 125.195 120.570 0.273 0.000 2.478 721 I HA 0.340 4.510 4.170 -0.001 0.000 0.287 721 I C -2.559 173.622 176.117 0.106 0.000 1.042 721 I CA -2.740 58.724 61.300 0.272 0.000 1.067 721 I CB 2.534 40.682 38.000 0.247 0.000 1.233 721 I HN 0.300 nan 8.210 nan 0.000 0.431 722 P HA -0.097 nan 4.420 nan 0.000 0.266 722 P C 0.590 177.911 177.300 0.036 0.000 1.195 722 P CA -0.005 63.113 63.100 0.029 0.000 0.768 722 P CB 0.720 32.406 31.700 -0.023 0.000 0.838 723 W N 4.240 125.491 121.300 -0.082 0.000 2.289 723 W HA -0.295 4.364 4.660 -0.001 0.000 0.331 723 W C 0.940 177.407 176.519 -0.086 0.000 1.283 723 W CA 1.854 59.149 57.345 -0.083 0.000 1.252 723 W CB -0.857 28.560 29.460 -0.072 0.000 1.153 723 W HN 0.372 nan 8.180 nan 0.000 0.467 724 N N 0.445 119.268 118.700 0.206 0.000 2.666 724 N HA -0.092 4.648 4.740 -0.001 0.000 0.194 724 N C 0.994 176.511 175.510 0.011 0.000 1.220 724 N CA 1.314 54.428 53.050 0.108 0.000 0.928 724 N CB -0.123 38.470 38.487 0.177 0.000 0.997 724 N HN 0.053 nan 8.380 nan 0.000 0.447 725 S N -0.085 115.529 115.700 -0.143 0.000 2.603 725 S HA 0.157 4.626 4.470 -0.001 0.000 0.232 725 S C 0.256 174.557 174.600 -0.497 0.000 1.016 725 S CA -0.514 57.478 58.200 -0.347 0.000 0.976 725 S CB 0.770 63.623 63.200 -0.579 0.000 0.921 725 S HN 0.128 nan 8.310 nan 0.000 0.516 726 L N 3.770 124.759 121.223 -0.390 0.000 2.342 726 L HA 0.318 4.658 4.340 -0.001 0.000 0.285 726 L C -0.121 176.541 176.870 -0.346 0.000 1.095 726 L CA 0.179 54.807 54.840 -0.353 0.000 0.843 726 L CB 0.038 41.844 42.059 -0.422 0.000 1.201 726 L HN -0.090 nan 8.230 nan 0.000 0.445 727 K N 4.229 124.462 120.400 -0.278 0.000 2.237 727 K HA 0.249 4.568 4.320 -0.001 0.000 0.270 727 K C -0.252 176.215 176.600 -0.222 0.000 1.015 727 K CA -0.432 55.711 56.287 -0.240 0.000 0.949 727 K CB 0.934 33.319 32.500 -0.192 0.000 0.976 727 K HN 0.647 nan 8.250 nan 0.000 0.472 728 Q N 0.030 119.702 119.800 -0.213 0.000 2.199 728 Q HA 0.416 4.756 4.340 -0.001 0.000 0.232 728 Q C 0.474 176.345 176.000 -0.216 0.000 0.969 728 Q CA -0.242 55.430 55.803 -0.219 0.000 0.925 728 Q CB 1.312 29.924 28.738 -0.211 0.000 1.198 728 Q HN 0.846 nan 8.270 nan 0.000 0.494 729 G N -0.381 108.257 108.800 -0.271 0.000 2.584 729 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.229 729 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.229 729 G C -1.294 173.390 174.900 -0.359 0.000 1.320 729 G CA -0.659 44.249 45.100 -0.321 0.000 0.891 729 G HN 0.492 nan 8.290 nan 0.000 0.573 730 Y N 2.026 122.258 120.300 -0.115 0.000 2.393 730 Y HA 0.651 5.200 4.550 -0.001 0.000 0.338 730 Y C 1.319 177.157 175.900 -0.103 0.000 1.029 730 Y CA 0.076 58.100 58.100 -0.127 0.000 1.239 730 Y CB 0.924 39.509 38.460 0.209 0.000 1.170 730 Y HN 0.496 nan 8.280 nan 0.000 0.515 731 R N 1.372 121.793 120.500 -0.133 0.000 2.739 731 R HA 0.364 4.704 4.340 -0.001 0.000 0.271 731 R C -1.650 174.579 176.300 -0.119 0.000 1.010 731 R CA -1.395 54.664 56.100 -0.068 0.000 0.897 731 R CB 1.459 31.684 30.300 -0.125 0.000 1.236 731 R HN 0.686 nan 8.270 nan 0.000 0.466 732 H N -0.334 118.745 119.070 0.014 0.000 2.476 732 H HA 0.366 4.922 4.556 -0.001 0.000 0.328 732 H C -0.341 174.942 175.328 -0.076 0.000 1.073 732 H CA -0.364 55.671 56.048 -0.022 0.000 1.229 732 H CB 1.601 31.319 29.762 -0.074 0.000 1.432 732 H HN 0.063 nan 8.280 nan 0.000 0.477 733 V N 4.759 124.598 119.914 -0.124 0.000 2.408 733 V HA 0.059 4.179 4.120 -0.001 0.000 0.267 733 V C -0.205 175.841 176.094 -0.080 0.000 1.047 733 V CA -0.508 61.691 62.300 -0.169 0.000 0.937 733 V CB -0.107 31.410 31.823 -0.511 0.000 0.999 733 V HN 0.800 nan 8.190 nan 0.000 0.472 734 H N 4.795 123.852 119.070 -0.022 0.000 2.705 734 H HA 0.442 4.997 4.556 -0.001 0.000 0.291 734 H C 0.029 175.372 175.328 0.025 0.000 1.085 734 H CA -0.408 55.648 56.048 0.013 0.000 1.357 734 H CB 0.434 30.200 29.762 0.007 0.000 1.419 734 H HN 0.518 nan 8.280 nan 0.000 0.462 735 L N 4.180 125.476 121.223 0.122 0.000 2.461 735 L HA 0.146 4.486 4.340 -0.001 0.000 0.272 735 L C 0.030 176.962 176.870 0.103 0.000 1.197 735 L CA 0.031 54.953 54.840 0.136 0.000 0.836 735 L CB 0.335 42.498 42.059 0.173 0.000 1.105 735 L HN 0.406 nan 8.230 nan 0.000 0.477 736 L N 1.399 122.646 121.223 0.039 0.000 2.333 736 L HA 0.490 4.829 4.340 -0.001 0.000 0.269 736 L C 0.398 177.188 176.870 -0.134 0.000 1.010 736 L CA -0.596 54.188 54.840 -0.095 0.000 0.818 736 L CB 2.007 44.069 42.059 0.004 0.000 1.306 736 L HN 0.737 nan 8.230 nan 0.000 0.430 737 S N 0.115 115.615 115.700 -0.332 0.000 2.671 737 S HA 0.272 4.741 4.470 -0.001 0.000 0.272 737 S C 0.792 175.492 174.600 0.166 0.000 1.174 737 S CA -0.659 57.519 58.200 -0.037 0.000 1.004 737 S CB 1.108 64.229 63.200 -0.132 0.000 1.077 737 S HN 0.604 nan 8.310 nan 0.000 0.553 738 K N 1.128 121.598 120.400 0.115 0.000 2.147 738 K HA -0.092 4.228 4.320 -0.001 0.000 0.205 738 K C 1.421 177.937 176.600 -0.141 0.000 1.049 738 K CA 1.417 57.568 56.287 -0.227 0.000 0.936 738 K CB -0.395 31.899 32.500 -0.344 0.000 0.722 738 K HN 0.725 nan 8.250 nan 0.000 0.446 739 N N -0.325 118.333 118.700 -0.071 0.000 2.461 739 N HA -0.030 4.709 4.740 -0.001 0.000 0.188 739 N C 0.914 176.389 175.510 -0.059 0.000 1.134 739 N CA 1.044 54.055 53.050 -0.066 0.000 0.878 739 N CB 0.474 38.938 38.487 -0.038 0.000 0.972 739 N HN 0.236 nan 8.380 nan 0.000 0.456 740 G N 0.371 109.140 108.800 -0.052 0.000 2.148 740 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.254 740 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.254 740 G C -0.984 173.889 174.900 -0.045 0.000 0.981 740 G CA 0.212 45.290 45.100 -0.038 0.000 0.670 740 G HN 0.480 nan 8.290 nan 0.000 0.528 741 D N 0.321 120.683 120.400 -0.064 0.000 2.225 741 D HA 0.449 5.088 4.640 -0.001 0.000 0.248 741 D C 0.507 176.733 176.300 -0.123 0.000 1.096 741 D CA -0.186 53.776 54.000 -0.064 0.000 0.863 741 D CB 0.918 41.696 40.800 -0.037 0.000 1.156 741 D HN 0.333 nan 8.370 nan 0.000 0.450 742 Q N 1.918 121.674 119.800 -0.073 0.000 2.271 742 Q HA 0.009 4.349 4.340 -0.001 0.000 0.273 742 Q C -0.523 175.462 176.000 -0.025 0.000 1.051 742 Q CA -0.109 55.658 55.803 -0.060 0.000 0.901 742 Q CB 0.312 29.049 28.738 -0.001 0.000 1.174 742 Q HN 0.540 nan 8.270 nan 0.000 0.385 743 H N 5.461 124.573 119.070 0.069 0.000 2.928 743 H HA -0.031 4.524 4.556 -0.001 0.000 0.338 743 H C -1.189 174.175 175.328 0.060 0.000 1.047 743 H CA -1.032 55.053 56.048 0.061 0.000 1.435 743 H CB 0.694 30.488 29.762 0.053 0.000 1.428 743 H HN 0.626 nan 8.280 nan 0.000 0.590 744 P HA -0.184 nan 4.420 nan 0.000 0.216 744 P C 0.593 177.953 177.300 0.100 0.000 1.153 744 P CA 1.731 64.899 63.100 0.114 0.000 0.858 744 P CB 0.426 32.179 31.700 0.089 0.000 0.789 745 S N -3.078 112.673 115.700 0.085 0.000 2.900 745 S HA 0.524 4.994 4.470 -0.001 0.000 0.253 745 S C 0.672 175.270 174.600 -0.003 0.000 1.029 745 S CA -0.383 57.836 58.200 0.031 0.000 1.096 745 S CB -0.103 63.103 63.200 0.011 0.000 1.067 745 S HN 0.237 nan 8.310 nan 0.000 0.610 746 A N 2.322 125.165 122.820 0.037 0.000 2.354 746 A HA 0.684 5.003 4.320 -0.001 0.000 0.281 746 A C 0.480 178.052 177.584 -0.020 0.000 1.174 746 A CA -0.013 52.027 52.037 0.005 0.000 0.828 746 A CB 0.040 19.048 19.000 0.013 0.000 1.099 746 A HN 0.668 nan 8.150 nan 0.000 0.516 747 T N -0.189 114.330 114.554 -0.058 0.000 2.787 747 T HA 0.709 5.058 4.350 -0.001 0.000 0.297 747 T C -0.837 173.860 174.700 -0.005 0.000 1.221 747 T CA -0.775 61.266 62.100 -0.099 0.000 1.006 747 T CB 1.006 69.757 68.868 -0.195 0.000 1.328 747 T HN 0.455 nan 8.240 nan 0.000 0.509 748 L N 1.466 122.674 121.223 -0.025 0.000 2.406 748 L HA 0.582 4.922 4.340 -0.001 0.000 0.272 748 L C -1.227 175.618 176.870 -0.042 0.000 0.980 748 L CA -0.956 53.890 54.840 0.010 0.000 0.831 748 L CB 1.885 43.904 42.059 -0.067 0.000 1.253 748 L HN 0.675 nan 8.230 nan 0.000 0.406 749 F N 5.227 125.070 119.950 -0.178 0.000 2.438 749 F HA 0.574 5.101 4.527 -0.001 0.000 0.356 749 F C -0.057 175.638 175.800 -0.174 0.000 1.099 749 F CA -0.479 57.286 58.000 -0.392 0.000 1.185 749 F CB 1.019 39.816 39.000 -0.339 0.000 1.115 749 F HN 0.156 nan 8.300 nan 0.000 0.526 750 V N 2.967 122.433 119.914 -0.748 0.000 3.181 750 V HA 0.649 4.769 4.120 -0.001 0.000 0.308 750 V C -1.535 174.165 176.094 -0.657 0.000 1.214 750 V CA -1.243 60.737 62.300 -0.534 0.000 1.053 750 V CB 1.922 33.566 31.823 -0.298 0.000 1.069 750 V HN 0.776 nan 8.190 nan 0.000 0.441 751 K N 1.315 121.442 120.400 -0.456 0.000 2.471 751 K HA 0.775 5.095 4.320 -0.001 0.000 0.252 751 K C -1.786 174.630 176.600 -0.306 0.000 0.938 751 K CA -0.658 55.318 56.287 -0.518 0.000 0.796 751 K CB 1.837 33.938 32.500 -0.665 0.000 1.161 751 K HN 0.803 nan 8.250 nan 0.000 0.425 752 I N 1.946 122.345 120.570 -0.285 0.000 2.493 752 I HA 0.314 4.484 4.170 -0.001 0.000 0.298 752 I C -0.509 175.482 176.117 -0.211 0.000 0.998 752 I CA -0.581 60.605 61.300 -0.191 0.000 1.137 752 I CB 2.153 40.051 38.000 -0.170 0.000 1.310 752 I HN 0.487 nan 8.210 nan 0.000 0.445 753 S N 6.726 122.329 115.700 -0.161 0.000 2.736 753 S HA 0.645 5.115 4.470 -0.001 0.000 0.285 753 S C -1.010 173.527 174.600 -0.105 0.000 1.163 753 S CA -0.469 57.644 58.200 -0.145 0.000 1.025 753 S CB 0.591 63.716 63.200 -0.125 0.000 1.030 753 S HN 0.436 nan 8.310 nan 0.000 0.486 754 I N 4.740 125.242 120.570 -0.114 0.000 2.362 754 I HA 0.446 4.615 4.170 -0.001 0.000 0.289 754 I C -0.376 175.741 176.117 0.000 0.000 0.994 754 I CA -0.611 60.663 61.300 -0.044 0.000 1.158 754 I CB 1.637 39.575 38.000 -0.102 0.000 1.315 754 I HN 0.454 nan 8.210 nan 0.000 0.451 755 Q N 4.706 124.530 119.800 0.041 0.000 2.337 755 Q HA 0.432 4.771 4.340 -0.001 0.000 0.266 755 Q C -1.172 174.852 176.000 0.040 0.000 1.023 755 Q CA -0.771 55.046 55.803 0.024 0.000 0.829 755 Q CB 2.797 31.540 28.738 0.010 0.000 1.306 755 Q HN 0.539 nan 8.270 nan 0.000 0.449 756 D N 0.000 120.414 120.400 0.024 0.000 6.856 756 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 756 D CA 0.000 54.010 54.000 0.016 0.000 0.868 756 D CB 0.000 40.807 40.800 0.012 0.000 0.688 756 D HN 0.000 nan 8.370 nan 0.000 0.683