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 3kfl_1_A DATA FIRST_RESID 207 DATA SEQUENCE KQKVFFATTP IYYVNASPHI GHVYSTLIVD VLGRYHRVKG EEVFVMTGTD DATA SEQUENCE EHGQKVAEAA AKQGVSPMDF TTSVSSEFKQ CFQEMNYDMN YFIRTTNPTH DATA SEQUENCE EKLVQDIWKK LAAKGDIYLG KYEGWYSVSD ESFLTAQNVA DGVDRDGKPC DATA SEQUENCE KVSLESGHVV TWVEEENYMF RLSAFRERLL KYFHDHPNCI VPEFRRREVI DATA SEQUENCE KTVEKGLFDL SISRKRESVM NWSIPVPGDE RHCIYVWLDA LFNYYTGALT DATA SEQUENCE RVATDGTETL DEDHHALNRW PADVHVVGKD ILKFHAIYWP AFLMSAELPL DATA SEQUENCE PERLVSHGWW TKDHKKISKS LGNAFDPVEK AKEFGIDALK YFLMRESNFQ DATA SEQUENCE DDGDYSDKNM VARLNGELAD TLGNLVSRCV APKINVNGMW PEPAEYSESD DATA SEQUENCE KTLIASLNNL AGTVDHYYCL PDIQHALIAI FDVLRSLNAY VTENAPWKLV DATA SEQUENCE KMDTARLGTV LYVTMEGLRI CTMFLQPVMP QKAKEIMDAL GVPEAARVGM DATA SEQUENCE ENYLFGIVKP GTKIAGLAEG QVVFQKVTLP 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 207 K HA 0.000 nan 4.320 nan 0.000 0.191 207 K C 0.000 176.631 176.600 0.052 0.000 0.988 207 K CA 0.000 56.311 56.287 0.040 0.000 0.838 207 K CB 0.000 32.522 32.500 0.037 0.000 1.064 208 Q N 2.823 122.656 119.800 0.055 0.000 2.395 208 Q HA 0.019 4.359 4.340 -0.000 0.000 0.271 208 Q C -0.397 175.649 176.000 0.076 0.000 1.026 208 Q CA 0.461 56.305 55.803 0.068 0.000 0.900 208 Q CB 0.872 29.654 28.738 0.073 0.000 1.266 208 Q HN 0.348 nan 8.270 nan 0.000 0.430 209 K N 1.019 121.469 120.400 0.083 0.000 2.414 209 K HA 0.061 4.381 4.320 -0.000 0.000 0.272 209 K C -0.712 175.945 176.600 0.095 0.000 0.993 209 K CA -0.354 55.984 56.287 0.085 0.000 0.964 209 K CB 0.590 33.137 32.500 0.078 0.000 0.925 209 K HN 0.348 nan 8.250 nan 0.000 0.487 210 V N 5.027 124.993 119.914 0.086 0.000 2.585 210 V HA -0.069 4.051 4.120 -0.000 0.000 0.296 210 V C 0.299 176.487 176.094 0.157 0.000 1.035 210 V CA -0.004 62.368 62.300 0.120 0.000 1.084 210 V CB -0.088 31.784 31.823 0.082 0.000 0.953 210 V HN 0.590 nan 8.190 nan 0.000 0.483 211 F N 6.921 126.907 119.950 0.060 0.000 2.533 211 F HA 0.312 4.839 4.527 -0.001 0.000 0.378 211 F C -0.349 175.549 175.800 0.164 0.000 1.070 211 F CA -0.270 57.734 58.000 0.006 0.000 1.172 211 F CB 0.062 38.969 39.000 -0.156 0.000 1.085 211 F HN 0.423 nan 8.300 nan 0.000 0.552 212 F N 6.867 126.377 119.950 -0.734 0.000 2.460 212 F HA 0.748 5.276 4.527 0.001 0.000 0.341 212 F C -1.055 174.361 175.800 -0.640 0.000 1.130 212 F CA -1.440 56.316 58.000 -0.406 0.000 0.962 212 F CB 0.703 39.600 39.000 -0.173 0.000 1.171 212 F HN 0.601 nan 8.300 nan 0.000 0.436 213 A N 3.457 125.976 122.820 -0.502 0.000 2.498 213 A HA 0.856 5.176 4.320 -0.000 0.000 0.298 213 A C -0.825 176.522 177.584 -0.396 0.000 1.075 213 A CA -0.315 51.380 52.037 -0.571 0.000 0.714 213 A CB 1.588 20.424 19.000 -0.274 0.000 1.299 213 A HN 0.905 nan 8.150 nan 0.000 0.407 214 T N -1.383 112.937 114.554 -0.389 0.000 2.909 214 T HA 0.749 5.099 4.350 -0.000 0.000 0.299 214 T C -0.029 174.577 174.700 -0.156 0.000 1.073 214 T CA 0.075 62.048 62.100 -0.211 0.000 0.999 214 T CB 1.328 70.061 68.868 -0.225 0.000 1.098 214 T HN 1.584 nan 8.240 nan 0.000 0.477 215 T N 0.063 114.558 114.554 -0.099 0.000 2.912 215 T HA 0.728 5.078 4.350 -0.000 0.000 0.280 215 T C -2.751 171.863 174.700 -0.143 0.000 0.989 215 T CA -2.062 59.969 62.100 -0.115 0.000 0.995 215 T CB 0.525 69.339 68.868 -0.090 0.000 1.077 215 T HN 0.481 nan 8.240 nan 0.000 0.531 216 P HA 0.258 nan 4.420 nan 0.000 0.270 216 P C -0.294 176.513 177.300 -0.821 0.000 1.223 216 P CA -0.525 62.355 63.100 -0.366 0.000 0.785 216 P CB 0.062 31.576 31.700 -0.311 0.000 0.923 217 I N -0.875 119.256 120.570 -0.732 0.000 2.325 217 I HA 0.355 4.525 4.170 -0.000 0.000 0.291 217 I C -0.591 174.990 176.117 -0.892 0.000 1.019 217 I CA -0.800 59.991 61.300 -0.849 0.000 1.302 217 I CB 0.075 37.662 38.000 -0.689 0.000 1.401 217 I HN 0.171 nan 8.210 nan 0.000 0.485 218 Y N 5.077 125.054 120.300 -0.538 0.000 2.304 218 Y HA 0.358 4.907 4.550 -0.000 0.000 0.328 218 Y C 0.023 175.536 175.900 -0.646 0.000 1.123 218 Y CA -0.283 57.460 58.100 -0.595 0.000 1.218 218 Y CB 0.208 38.234 38.460 -0.724 0.000 1.207 218 Y HN 0.406 nan 8.280 nan 0.000 0.495 219 Y N 1.244 121.389 120.300 -0.258 0.000 2.597 219 Y HA 0.157 4.707 4.550 -0.000 0.000 0.336 219 Y C 0.988 176.737 175.900 -0.251 0.000 1.216 219 Y CA -0.702 57.257 58.100 -0.235 0.000 1.463 219 Y CB 0.413 38.798 38.460 -0.125 0.000 1.303 219 Y HN 0.456 nan 8.280 nan 0.000 0.576 220 V N 0.941 120.843 119.914 -0.019 0.000 3.140 220 V HA 0.086 4.206 4.120 -0.000 0.000 0.379 220 V C 0.917 177.060 176.094 0.081 0.000 1.296 220 V CA -0.114 62.144 62.300 -0.069 0.000 1.351 220 V CB -0.792 30.946 31.823 -0.143 0.000 1.311 220 V HN 0.879 nan 8.190 nan 0.000 0.508 221 N N 1.394 120.199 118.700 0.175 0.000 2.457 221 N HA 0.241 4.981 4.740 -0.000 0.000 0.180 221 N C 0.448 176.119 175.510 0.269 0.000 1.050 221 N CA 1.137 54.350 53.050 0.271 0.000 0.906 221 N CB 0.759 39.331 38.487 0.140 0.000 0.968 221 N HN 0.793 nan 8.380 nan 0.000 0.445 222 A N -0.397 122.532 122.820 0.181 0.000 2.511 222 A HA 0.545 4.864 4.320 -0.000 0.000 0.293 222 A C -0.953 176.697 177.584 0.110 0.000 1.098 222 A CA -0.671 51.451 52.037 0.142 0.000 0.643 222 A CB 0.295 19.384 19.000 0.148 0.000 1.302 222 A HN 0.083 nan 8.150 nan 0.000 0.446 223 S N 2.067 117.777 115.700 0.017 0.000 2.579 223 S HA 0.455 4.925 4.470 -0.000 0.000 0.275 223 S C -2.286 172.139 174.600 -0.291 0.000 1.345 223 S CA -0.372 57.745 58.200 -0.138 0.000 1.031 223 S CB 0.013 63.143 63.200 -0.118 0.000 0.892 223 S HN 0.575 nan 8.310 nan 0.000 0.529 224 P HA 0.205 nan 4.420 nan 0.000 0.269 224 P C -0.760 176.390 177.300 -0.251 0.000 1.209 224 P CA 0.044 62.645 63.100 -0.833 0.000 0.776 224 P CB 0.378 31.298 31.700 -1.301 0.000 0.876 225 H N 0.175 119.280 119.070 0.059 0.000 3.024 225 H HA 0.387 4.943 4.556 -0.000 0.000 0.305 225 H C 0.812 175.986 175.328 -0.256 0.000 1.506 225 H CA -0.884 55.042 56.048 -0.204 0.000 1.324 225 H CB -0.514 29.089 29.762 -0.265 0.000 1.925 225 H HN 0.123 nan 8.280 nan 0.000 0.661 226 I N 0.753 121.240 120.570 -0.138 0.000 2.454 226 I HA -0.034 4.136 4.170 -0.000 0.000 0.254 226 I C 2.210 178.357 176.117 0.049 0.000 1.156 226 I CA 1.979 63.182 61.300 -0.161 0.000 1.433 226 I CB -1.000 36.722 38.000 -0.463 0.000 1.082 226 I HN 0.888 nan 8.210 nan 0.000 0.432 227 G N -0.784 108.127 108.800 0.184 0.000 2.418 227 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 227 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 227 G C 1.434 176.382 174.900 0.081 0.000 1.158 227 G CA 1.244 46.467 45.100 0.204 0.000 0.771 227 G HN 0.563 nan 8.290 nan 0.000 0.545 228 H N -0.553 118.562 119.070 0.076 0.000 2.395 228 H HA 0.106 4.662 4.556 -0.000 0.000 0.299 228 H C 2.642 178.022 175.328 0.088 0.000 1.070 228 H CA 0.642 56.597 56.048 -0.156 0.000 1.356 228 H CB -0.066 29.374 29.762 -0.537 0.000 1.401 228 H HN 0.194 nan 8.280 nan 0.000 0.524 229 V N 0.818 120.894 119.914 0.271 0.000 2.407 229 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 229 V C 2.069 178.332 176.094 0.283 0.000 1.055 229 V CA 1.867 64.368 62.300 0.335 0.000 1.049 229 V CB -0.603 31.388 31.823 0.279 0.000 0.662 229 V HN 0.433 nan 8.190 nan 0.000 0.455 230 Y N 1.418 121.801 120.300 0.139 0.000 2.089 230 Y HA -0.232 4.317 4.550 -0.000 0.000 0.282 230 Y C 2.787 178.751 175.900 0.106 0.000 1.139 230 Y CA 1.966 60.152 58.100 0.143 0.000 1.123 230 Y CB -0.542 38.054 38.460 0.226 0.000 0.980 230 Y HN 0.208 nan 8.280 nan 0.000 0.493 231 S N -0.537 115.214 115.700 0.084 0.000 2.383 231 S HA -0.200 4.270 4.470 -0.000 0.000 0.229 231 S C 1.890 176.442 174.600 -0.081 0.000 1.030 231 S CA 1.794 60.017 58.200 0.039 0.000 1.002 231 S CB -0.698 62.740 63.200 0.397 0.000 0.829 231 S HN 0.600 nan 8.310 nan 0.000 0.467 232 T N 2.601 117.091 114.554 -0.106 0.000 2.821 232 T HA 0.001 4.351 4.350 -0.000 0.000 0.267 232 T C 1.754 176.023 174.700 -0.717 0.000 1.046 232 T CA 0.885 62.712 62.100 -0.456 0.000 1.139 232 T CB -0.406 67.967 68.868 -0.825 0.000 0.871 232 T HN 0.199 nan 8.240 nan 0.000 0.454 233 L N 1.303 122.220 121.223 -0.511 0.000 2.042 233 L HA 0.008 4.348 4.340 -0.000 0.000 0.210 233 L C 2.096 178.857 176.870 -0.181 0.000 1.076 233 L CA 1.505 56.170 54.840 -0.292 0.000 0.749 233 L CB -0.754 41.352 42.059 0.078 0.000 0.893 233 L HN 0.263 nan 8.230 nan 0.000 0.432 234 I N -1.568 118.873 120.570 -0.215 0.000 2.163 234 I HA -0.309 3.860 4.170 -0.000 0.000 0.243 234 I C 2.324 178.413 176.117 -0.047 0.000 1.085 234 I CA 1.417 62.647 61.300 -0.117 0.000 1.347 234 I CB -0.411 37.460 38.000 -0.215 0.000 1.044 234 I HN 0.094 nan 8.210 nan 0.000 0.408 235 V N 0.597 120.441 119.914 -0.117 0.000 2.358 235 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 235 V C 2.155 178.228 176.094 -0.035 0.000 1.047 235 V CA 2.256 64.517 62.300 -0.065 0.000 1.035 235 V CB -0.651 31.098 31.823 -0.123 0.000 0.658 235 V HN 0.461 nan 8.190 nan 0.000 0.452 236 D N -0.025 120.285 120.400 -0.151 0.000 2.144 236 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 236 D C 2.004 178.334 176.300 0.050 0.000 0.984 236 D CA 1.289 55.242 54.000 -0.078 0.000 0.834 236 D CB -0.024 40.660 40.800 -0.193 0.000 0.955 236 D HN 0.216 nan 8.370 nan 0.000 0.465 237 V N 0.425 120.380 119.914 0.068 0.000 2.295 237 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 237 V C 2.613 178.772 176.094 0.109 0.000 1.049 237 V CA 1.211 63.586 62.300 0.125 0.000 1.024 237 V CB -0.465 31.470 31.823 0.188 0.000 0.648 237 V HN 0.323 nan 8.190 nan 0.000 0.447 238 L N 0.205 121.526 121.223 0.164 0.000 2.017 238 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 238 L C 2.730 179.722 176.870 0.202 0.000 1.073 238 L CA 1.869 56.849 54.840 0.233 0.000 0.745 238 L CB -1.401 40.883 42.059 0.375 0.000 0.894 238 L HN 0.472 nan 8.230 nan 0.000 0.432 239 G N -0.040 108.909 108.800 0.248 0.000 2.491 239 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 239 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 239 G C 1.749 176.709 174.900 0.100 0.000 1.180 239 G CA 0.803 46.040 45.100 0.229 0.000 0.774 239 G HN 0.288 nan 8.290 nan 0.000 0.562 240 R N -1.203 119.341 120.500 0.074 0.000 2.075 240 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 240 R C 2.352 178.626 176.300 -0.044 0.000 1.126 240 R CA 1.285 57.408 56.100 0.038 0.000 0.963 240 R CB -0.538 29.805 30.300 0.072 0.000 0.858 240 R HN 0.501 nan 8.270 nan 0.000 0.435 241 Y N 1.105 121.261 120.300 -0.241 0.000 2.145 241 Y HA -0.257 4.293 4.550 0.000 0.000 0.286 241 Y C 2.192 177.880 175.900 -0.353 0.000 1.145 241 Y CA 1.593 59.434 58.100 -0.431 0.000 1.148 241 Y CB -0.350 37.549 38.460 -0.935 0.000 0.981 241 Y HN 0.140 nan 8.280 nan 0.000 0.507 242 H N -0.080 118.676 119.070 -0.524 0.000 2.423 242 H HA -0.059 4.496 4.556 -0.000 0.000 0.297 242 H C 2.307 177.442 175.328 -0.321 0.000 1.075 242 H CA 1.557 57.276 56.048 -0.548 0.000 1.342 242 H CB 0.028 29.346 29.762 -0.740 0.000 1.395 242 H HN 0.411 nan 8.280 nan 0.000 0.530 243 R N 0.176 120.614 120.500 -0.103 0.000 2.066 243 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 243 R C 2.476 178.712 176.300 -0.107 0.000 1.131 243 R CA 1.009 57.078 56.100 -0.052 0.000 0.955 243 R CB -0.270 30.034 30.300 0.007 0.000 0.851 243 R HN 0.052 nan 8.270 nan 0.000 0.432 244 V N 1.576 121.392 119.914 -0.163 0.000 2.490 244 V HA -0.252 3.868 4.120 -0.000 0.000 0.250 244 V C 2.284 178.274 176.094 -0.174 0.000 1.061 244 V CA 1.651 63.870 62.300 -0.135 0.000 1.064 244 V CB -0.406 31.369 31.823 -0.081 0.000 0.670 244 V HN 0.301 nan 8.190 nan 0.000 0.461 245 K N -0.338 119.848 120.400 -0.357 0.000 2.365 245 K HA 0.019 4.339 4.320 -0.000 0.000 0.199 245 K C 1.364 177.845 176.600 -0.198 0.000 1.045 245 K CA 0.973 57.074 56.287 -0.310 0.000 0.962 245 K CB 0.078 32.282 32.500 -0.493 0.000 0.759 245 K HN 0.567 nan 8.250 nan 0.000 0.469 246 G N 0.783 109.500 108.800 -0.139 0.000 2.154 246 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.186 246 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.186 246 G C -0.629 174.252 174.900 -0.033 0.000 1.000 246 G CA -0.163 44.890 45.100 -0.078 0.000 0.664 246 G HN 0.402 nan 8.290 nan 0.000 0.513 247 E N 0.446 120.636 120.200 -0.016 0.000 2.283 247 E HA 0.449 4.798 4.350 -0.000 0.000 0.267 247 E C 0.066 176.710 176.600 0.074 0.000 1.045 247 E CA -0.679 55.747 56.400 0.044 0.000 0.884 247 E CB 1.130 30.881 29.700 0.085 0.000 1.106 247 E HN 0.402 nan 8.360 nan 0.000 0.408 248 E N 0.852 121.111 120.200 0.098 0.000 2.384 248 E HA 0.139 4.489 4.350 -0.000 0.000 0.266 248 E C -0.918 175.800 176.600 0.197 0.000 1.012 248 E CA 0.046 56.521 56.400 0.125 0.000 0.901 248 E CB 0.983 30.748 29.700 0.108 0.000 0.967 248 E HN 0.076 nan 8.360 nan 0.000 0.435 249 V N 4.099 124.148 119.914 0.226 0.000 2.760 249 V HA 0.431 4.551 4.120 -0.000 0.000 0.309 249 V C -1.077 175.239 176.094 0.370 0.000 1.077 249 V CA -0.857 61.638 62.300 0.326 0.000 0.910 249 V CB 1.599 33.589 31.823 0.279 0.000 1.008 249 V HN 0.556 nan 8.190 nan 0.000 0.424 250 F N 5.571 125.664 119.950 0.237 0.000 2.579 250 F HA 0.760 5.287 4.527 -0.000 0.000 0.325 250 F C -0.585 175.417 175.800 0.336 0.000 1.162 250 F CA -0.587 57.545 58.000 0.221 0.000 0.946 250 F CB 1.684 40.742 39.000 0.096 0.000 1.211 250 F HN 0.425 nan 8.300 nan 0.000 0.447 251 V N 5.354 125.198 119.914 -0.117 0.000 2.769 251 V HA 0.829 4.949 4.120 -0.000 0.000 0.312 251 V C -0.711 175.239 176.094 -0.241 0.000 1.061 251 V CA -0.848 61.421 62.300 -0.050 0.000 0.931 251 V CB 1.782 33.629 31.823 0.040 0.000 1.010 251 V HN 0.947 nan 8.190 nan 0.000 0.433 252 M N 2.210 121.768 119.600 -0.071 0.000 2.575 252 M HA 0.898 5.377 4.480 -0.000 0.000 0.284 252 M C -0.647 175.622 176.300 -0.051 0.000 1.253 252 M CA -0.254 55.029 55.300 -0.029 0.000 0.861 252 M CB 2.238 34.966 32.600 0.213 0.000 1.733 252 M HN 0.810 nan 8.290 nan 0.000 0.462 253 T N -0.537 113.938 114.554 -0.133 0.000 2.647 253 T HA 0.982 5.331 4.350 -0.000 0.000 0.295 253 T C -0.723 173.650 174.700 -0.545 0.000 1.126 253 T CA 0.175 62.140 62.100 -0.224 0.000 1.040 253 T CB 1.980 70.803 68.868 -0.075 0.000 1.472 253 T HN 1.514 nan 8.240 nan 0.000 0.500 254 G N 0.300 108.667 108.800 -0.721 0.000 2.333 254 G HA2 0.458 4.418 3.960 -0.000 0.000 0.288 254 G HA3 0.458 4.418 3.960 -0.000 0.000 0.288 254 G C -1.015 173.428 174.900 -0.761 0.000 1.286 254 G CA 0.140 44.565 45.100 -1.124 0.000 0.865 254 G HN 1.233 nan 8.290 nan 0.000 0.506 255 T N -1.513 112.674 114.554 -0.612 0.000 2.841 255 T HA 0.624 4.974 4.350 -0.000 0.000 0.283 255 T C -1.609 172.816 174.700 -0.458 0.000 1.000 255 T CA -0.617 61.192 62.100 -0.485 0.000 0.977 255 T CB 2.435 71.108 68.868 -0.324 0.000 0.979 255 T HN 0.474 nan 8.240 nan 0.000 0.446 256 D N 1.356 121.469 120.400 -0.477 0.000 2.412 256 D HA 0.270 4.910 4.640 -0.000 0.000 0.224 256 D C 0.533 176.690 176.300 -0.239 0.000 1.093 256 D CA -0.491 53.238 54.000 -0.453 0.000 0.850 256 D CB 1.047 41.429 40.800 -0.697 0.000 1.046 256 D HN 0.708 nan 8.370 nan 0.000 0.507 257 E N 1.925 121.957 120.200 -0.279 0.000 2.511 257 E HA 0.060 4.409 4.350 -0.000 0.000 0.209 257 E C -0.047 176.504 176.600 -0.081 0.000 0.986 257 E CA -0.166 56.140 56.400 -0.157 0.000 0.974 257 E CB 0.656 30.230 29.700 -0.210 0.000 1.030 257 E HN 0.580 nan 8.360 nan 0.000 0.490 258 H N -0.198 118.838 119.070 -0.056 0.000 2.523 258 H HA 0.573 5.129 4.556 -0.001 0.000 0.345 258 H C 0.601 175.963 175.328 0.058 0.000 1.261 258 H CA 0.071 56.021 56.048 -0.164 0.000 1.343 258 H CB 1.496 31.082 29.762 -0.294 0.000 1.650 258 H HN 0.136 nan 8.280 nan 0.000 0.591 259 G N -0.165 108.791 108.800 0.260 0.000 2.603 259 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.686 259 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.686 259 G C 0.370 175.387 174.900 0.195 0.000 1.286 259 G CA 0.026 45.241 45.100 0.191 0.000 0.871 259 G HN 0.646 nan 8.290 nan 0.000 0.568 260 Q N -0.174 119.705 119.800 0.132 0.000 2.079 260 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 260 Q C 2.549 178.568 176.000 0.032 0.000 0.974 260 Q CA 1.884 57.743 55.803 0.094 0.000 0.840 260 Q CB -0.173 28.627 28.738 0.102 0.000 0.898 260 Q HN 0.616 nan 8.270 nan 0.000 0.430 261 K N -0.299 120.081 120.400 -0.033 0.000 2.032 261 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 261 K C 1.895 178.448 176.600 -0.078 0.000 1.048 261 K CA 1.692 57.902 56.287 -0.128 0.000 0.927 261 K CB -0.052 32.240 32.500 -0.347 0.000 0.712 261 K HN 0.135 nan 8.250 nan 0.000 0.441 262 V N 1.165 121.069 119.914 -0.018 0.000 2.358 262 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 262 V C 2.461 178.574 176.094 0.032 0.000 1.047 262 V CA 1.848 64.206 62.300 0.096 0.000 1.035 262 V CB -0.583 31.375 31.823 0.226 0.000 0.658 262 V HN 0.508 nan 8.190 nan 0.000 0.452 263 A N -0.369 122.477 122.820 0.043 0.000 1.933 263 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 263 A C 2.172 179.657 177.584 -0.164 0.000 1.175 263 A CA 1.911 53.892 52.037 -0.095 0.000 0.628 263 A CB -0.429 18.589 19.000 0.031 0.000 0.814 263 A HN 0.627 nan 8.150 nan 0.000 0.444 264 E N -0.405 119.733 120.200 -0.104 0.000 2.152 264 E HA -0.027 4.323 4.350 -0.000 0.000 0.192 264 E C 2.317 178.804 176.600 -0.187 0.000 0.983 264 E CA 0.692 57.020 56.400 -0.120 0.000 0.818 264 E CB -0.244 29.418 29.700 -0.064 0.000 0.758 264 E HN 0.621 nan 8.360 nan 0.000 0.467 265 A N 1.717 124.419 122.820 -0.197 0.000 1.877 265 A HA -0.155 4.164 4.320 -0.000 0.000 0.216 265 A C 2.408 179.539 177.584 -0.755 0.000 1.186 265 A CA 1.767 53.639 52.037 -0.275 0.000 0.620 265 A CB -0.679 18.301 19.000 -0.033 0.000 0.822 265 A HN 0.294 nan 8.150 nan 0.000 0.443 266 A N -0.051 122.141 122.820 -1.046 0.000 1.865 266 A HA 0.113 4.432 4.320 -0.000 0.000 0.217 266 A C 2.567 179.759 177.584 -0.653 0.000 1.191 266 A CA 2.444 53.682 52.037 -1.332 0.000 0.623 266 A CB -1.273 17.250 19.000 -0.794 0.000 0.826 266 A HN 1.201 nan 8.150 nan 0.000 0.444 267 A N -0.321 122.252 122.820 -0.412 0.000 1.927 267 A HA -0.279 4.041 4.320 -0.000 0.000 0.220 267 A C 2.142 179.597 177.584 -0.214 0.000 1.185 267 A CA 2.358 54.243 52.037 -0.253 0.000 0.639 267 A CB -0.582 18.311 19.000 -0.178 0.000 0.820 267 A HN 0.573 nan 8.150 nan 0.000 0.451 268 K N -1.069 119.194 120.400 -0.228 0.000 2.152 268 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 268 K C 1.613 178.126 176.600 -0.145 0.000 1.048 268 K CA 1.481 57.673 56.287 -0.157 0.000 0.933 268 K CB -0.051 32.369 32.500 -0.133 0.000 0.721 268 K HN 0.443 nan 8.250 nan 0.000 0.447 269 Q N -0.796 118.876 119.800 -0.214 0.000 2.403 269 Q HA 0.070 4.410 4.340 -0.000 0.000 0.203 269 Q C 0.643 176.585 176.000 -0.097 0.000 0.932 269 Q CA 0.808 56.538 55.803 -0.122 0.000 0.945 269 Q CB 0.936 29.626 28.738 -0.080 0.000 1.045 269 Q HN 0.545 nan 8.270 nan 0.000 0.511 270 G N 0.741 109.466 108.800 -0.126 0.000 2.273 270 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.280 270 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.280 270 G C -0.108 174.741 174.900 -0.085 0.000 1.047 270 G CA 0.417 45.461 45.100 -0.093 0.000 0.869 270 G HN 0.207 nan 8.290 nan 0.000 0.502 271 V N 0.497 120.337 119.914 -0.123 0.000 2.656 271 V HA 0.704 4.824 4.120 -0.000 0.000 0.307 271 V C 0.922 176.933 176.094 -0.138 0.000 1.051 271 V CA -0.382 61.871 62.300 -0.079 0.000 0.893 271 V CB 1.931 33.768 31.823 0.023 0.000 0.999 271 V HN 1.054 nan 8.190 nan 0.000 0.426 272 S N 4.581 120.214 115.700 -0.112 0.000 2.558 272 S HA 0.139 4.609 4.470 -0.000 0.000 0.288 272 S C -1.683 172.761 174.600 -0.260 0.000 1.318 272 S CA -0.434 57.661 58.200 -0.175 0.000 1.056 272 S CB 0.707 63.835 63.200 -0.120 0.000 0.853 272 S HN 0.600 nan 8.310 nan 0.000 0.505 273 P HA -0.119 nan 4.420 nan 0.000 0.218 273 P C 1.470 178.401 177.300 -0.615 0.000 1.148 273 P CA 0.903 63.512 63.100 -0.818 0.000 0.822 273 P CB -0.025 30.558 31.700 -1.860 0.000 0.784 274 M N -0.378 118.933 119.600 -0.480 0.000 2.200 274 M HA -0.090 4.390 4.480 -0.000 0.000 0.265 274 M C 1.237 177.558 176.300 0.034 0.000 1.066 274 M CA 1.761 57.062 55.300 0.002 0.000 1.127 274 M CB -1.191 31.513 32.600 0.174 0.000 1.379 274 M HN -0.255 nan 8.290 nan 0.000 0.420 275 D N -0.787 119.610 120.400 -0.004 0.000 2.117 275 D HA -0.161 4.478 4.640 -0.000 0.000 0.197 275 D C 1.817 178.151 176.300 0.057 0.000 0.987 275 D CA 1.241 55.256 54.000 0.024 0.000 0.829 275 D CB -0.408 40.401 40.800 0.016 0.000 0.961 275 D HN 0.399 nan 8.370 nan 0.000 0.460 276 F N 1.700 121.589 119.950 -0.101 0.000 2.084 276 F HA -0.190 4.337 4.527 -0.000 0.000 0.296 276 F C 2.542 178.320 175.800 -0.037 0.000 1.111 276 F CA 2.048 60.000 58.000 -0.081 0.000 1.224 276 F CB -0.718 38.206 39.000 -0.127 0.000 0.991 276 F HN -0.030 nan 8.300 nan 0.000 0.471 277 T N -3.221 111.363 114.554 0.051 0.000 2.833 277 T HA -0.158 4.192 4.350 -0.000 0.000 0.269 277 T C 1.916 176.590 174.700 -0.044 0.000 1.054 277 T CA 1.811 63.918 62.100 0.011 0.000 1.135 277 T CB -1.130 67.873 68.868 0.224 0.000 0.869 277 T HN 0.257 nan 8.240 nan 0.000 0.466 278 T N 1.645 116.193 114.554 -0.011 0.000 2.737 278 T HA -0.064 4.286 4.350 -0.000 0.000 0.265 278 T C 2.312 176.968 174.700 -0.074 0.000 1.038 278 T CA 1.453 63.539 62.100 -0.023 0.000 1.144 278 T CB -0.677 68.194 68.868 0.005 0.000 0.866 278 T HN 0.516 nan 8.240 nan 0.000 0.434 279 S N 0.460 116.099 115.700 -0.102 0.000 2.353 279 S HA -0.125 4.345 4.470 -0.000 0.000 0.222 279 S C 2.150 176.647 174.600 -0.172 0.000 1.035 279 S CA 1.490 59.612 58.200 -0.129 0.000 1.025 279 S CB -0.536 62.587 63.200 -0.128 0.000 0.902 279 S HN 0.281 nan 8.310 nan 0.000 0.440 280 V N 0.952 120.696 119.914 -0.284 0.000 2.453 280 V HA -0.063 4.057 4.120 -0.000 0.000 0.247 280 V C 2.668 178.744 176.094 -0.029 0.000 1.048 280 V CA 1.850 64.008 62.300 -0.236 0.000 1.049 280 V CB -1.008 30.538 31.823 -0.462 0.000 0.672 280 V HN 0.574 nan 8.190 nan 0.000 0.457 281 S N -0.278 115.386 115.700 -0.060 0.000 2.374 281 S HA -0.238 4.232 4.470 -0.000 0.000 0.227 281 S C 2.276 176.877 174.600 0.001 0.000 1.037 281 S CA 2.088 60.300 58.200 0.020 0.000 1.024 281 S CB -0.310 62.895 63.200 0.009 0.000 0.861 281 S HN 0.583 nan 8.310 nan 0.000 0.456 282 S N 0.722 116.373 115.700 -0.081 0.000 2.419 282 S HA -0.062 4.408 4.470 -0.000 0.000 0.233 282 S C 1.706 176.225 174.600 -0.135 0.000 1.016 282 S CA 1.023 59.140 58.200 -0.138 0.000 0.974 282 S CB -0.305 62.825 63.200 -0.118 0.000 0.786 282 S HN 0.613 nan 8.310 nan 0.000 0.492 283 E N -0.145 119.996 120.200 -0.099 0.000 2.106 283 E HA -0.107 4.243 4.350 -0.000 0.000 0.192 283 E C 1.569 178.001 176.600 -0.279 0.000 0.984 283 E CA 1.007 57.306 56.400 -0.170 0.000 0.806 283 E CB -0.196 29.395 29.700 -0.182 0.000 0.750 283 E HN 0.493 nan 8.360 nan 0.000 0.458 284 F N 1.501 121.270 119.950 -0.303 0.000 2.113 284 F HA -0.121 4.406 4.527 -0.000 0.000 0.297 284 F C 2.449 177.900 175.800 -0.582 0.000 1.103 284 F CA 1.170 58.871 58.000 -0.499 0.000 1.248 284 F CB -0.216 38.611 39.000 -0.287 0.000 0.999 284 F HN -0.144 nan 8.300 nan 0.000 0.475 285 K N 0.295 120.540 120.400 -0.257 0.000 2.009 285 K HA -0.284 4.036 4.320 -0.000 0.000 0.210 285 K C 2.276 178.758 176.600 -0.197 0.000 1.049 285 K CA 1.804 57.838 56.287 -0.423 0.000 0.929 285 K CB -0.353 31.694 32.500 -0.755 0.000 0.714 285 K HN 0.291 nan 8.250 nan 0.000 0.440 286 Q N 0.456 120.140 119.800 -0.193 0.000 2.077 286 Q HA -0.265 4.074 4.340 -0.000 0.000 0.206 286 Q C 2.327 178.267 176.000 -0.100 0.000 0.989 286 Q CA 2.119 57.846 55.803 -0.126 0.000 0.853 286 Q CB -0.408 28.253 28.738 -0.129 0.000 0.907 286 Q HN 0.555 nan 8.270 nan 0.000 0.418 287 C N 0.187 119.378 119.300 -0.182 0.000 2.413 287 C HA -0.168 4.292 4.460 -0.000 0.000 0.277 287 C C 2.458 177.500 174.990 0.086 0.000 1.228 287 C CA 0.814 59.753 59.018 -0.132 0.000 1.731 287 C CB -1.527 26.025 27.740 -0.314 0.000 2.042 287 C HN 0.686 nan 8.230 nan 0.000 0.468 288 F N 1.194 121.183 119.950 0.065 0.000 2.216 288 F HA -0.054 4.473 4.527 -0.001 0.000 0.300 288 F C 2.597 178.384 175.800 -0.020 0.000 1.085 288 F CA 1.382 59.459 58.000 0.127 0.000 1.326 288 F CB -1.513 37.743 39.000 0.425 0.000 1.027 288 F HN 0.447 nan 8.300 nan 0.000 0.497 289 Q N 0.063 119.967 119.800 0.172 0.000 2.084 289 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 289 Q C 2.089 178.089 176.000 -0.000 0.000 0.978 289 Q CA 1.374 57.220 55.803 0.072 0.000 0.844 289 Q CB -0.244 28.516 28.738 0.035 0.000 0.898 289 Q HN 0.381 nan 8.270 nan 0.000 0.426 290 E N 0.144 120.333 120.200 -0.018 0.000 2.160 290 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 290 E C 1.608 178.159 176.600 -0.083 0.000 0.991 290 E CA 0.841 57.218 56.400 -0.039 0.000 0.810 290 E CB 0.002 29.683 29.700 -0.032 0.000 0.742 290 E HN 0.383 nan 8.360 nan 0.000 0.466 291 M N 0.502 119.988 119.600 -0.190 0.000 2.618 291 M HA 0.002 4.481 4.480 -0.000 0.000 0.240 291 M C 0.344 176.398 176.300 -0.409 0.000 1.123 291 M CA 0.161 55.230 55.300 -0.386 0.000 1.060 291 M CB -1.220 30.892 32.600 -0.812 0.000 1.535 291 M HN -0.021 nan 8.290 nan 0.000 0.507 292 N N 0.993 119.572 118.700 -0.202 0.000 2.725 292 N HA -0.232 4.508 4.740 -0.000 0.000 0.251 292 N C -1.464 174.066 175.510 0.032 0.000 1.031 292 N CA 0.380 53.400 53.050 -0.050 0.000 0.720 292 N CB -1.292 37.198 38.487 0.005 0.000 0.930 292 N HN 0.175 nan 8.380 nan 0.000 0.543 293 Y N 0.020 120.383 120.300 0.105 0.000 2.326 293 Y HA 0.319 4.869 4.550 -0.001 0.000 0.333 293 Y C 1.223 177.176 175.900 0.088 0.000 1.240 293 Y CA -1.015 57.135 58.100 0.083 0.000 1.365 293 Y CB 0.559 39.049 38.460 0.050 0.000 1.289 293 Y HN 0.115 nan 8.280 nan 0.000 0.548 294 D N 2.444 122.996 120.400 0.254 0.000 2.772 294 D HA 0.175 4.815 4.640 -0.000 0.000 0.273 294 D C -0.697 175.682 176.300 0.131 0.000 1.233 294 D CA -0.212 53.888 54.000 0.167 0.000 0.984 294 D CB -0.143 40.738 40.800 0.134 0.000 1.000 294 D HN 0.275 nan 8.370 nan 0.000 0.514 295 M N 1.126 120.814 119.600 0.147 0.000 2.235 295 M HA 0.177 4.657 4.480 -0.000 0.000 0.351 295 M C 1.129 177.472 176.300 0.071 0.000 1.178 295 M CA -0.109 55.244 55.300 0.088 0.000 1.143 295 M CB 0.882 33.565 32.600 0.139 0.000 1.530 295 M HN 0.035 nan 8.290 nan 0.000 0.461 296 N N 0.967 119.639 118.700 -0.047 0.000 2.354 296 N HA -0.043 4.697 4.740 -0.000 0.000 0.179 296 N C -0.863 174.693 175.510 0.076 0.000 1.021 296 N CA 0.798 53.812 53.050 -0.061 0.000 0.887 296 N CB 0.276 38.562 38.487 -0.334 0.000 0.974 296 N HN 0.512 nan 8.380 nan 0.000 0.437 297 Y N -0.383 119.838 120.300 -0.133 0.000 2.480 297 Y HA 0.394 4.945 4.550 0.000 0.000 0.329 297 Y C -2.111 173.870 175.900 0.136 0.000 1.127 297 Y CA -2.067 56.062 58.100 0.049 0.000 1.037 297 Y CB 0.692 39.213 38.460 0.102 0.000 1.320 297 Y HN -0.126 nan 8.280 nan 0.000 0.446 298 F N 8.335 128.043 119.950 -0.403 0.000 2.445 298 F HA 0.601 5.127 4.527 -0.001 0.000 0.348 298 F C -1.207 174.167 175.800 -0.709 0.000 1.125 298 F CA -0.768 57.012 58.000 -0.367 0.000 0.983 298 F CB 0.510 39.458 39.000 -0.087 0.000 1.198 298 F HN 0.549 nan 8.300 nan 0.000 0.436 299 I N 6.343 126.449 120.570 -0.773 0.000 2.488 299 I HA 0.521 4.691 4.170 -0.000 0.000 0.299 299 I C -0.878 175.045 176.117 -0.323 0.000 0.984 299 I CA -0.708 60.242 61.300 -0.582 0.000 1.250 299 I CB 0.855 38.586 38.000 -0.449 0.000 1.389 299 I HN 0.629 nan 8.210 nan 0.000 0.488 300 R N 3.514 123.908 120.500 -0.177 0.000 2.561 300 R HA 0.252 4.592 4.340 -0.000 0.000 0.297 300 R C 0.689 176.837 176.300 -0.253 0.000 0.969 300 R CA -0.367 55.626 56.100 -0.177 0.000 0.879 300 R CB 1.665 31.938 30.300 -0.045 0.000 1.178 300 R HN 0.737 nan 8.270 nan 0.000 0.445 301 T N -2.743 111.582 114.554 -0.382 0.000 3.051 301 T HA -0.141 4.208 4.350 -0.000 0.000 0.269 301 T C 1.562 176.188 174.700 -0.122 0.000 1.127 301 T CA 1.507 63.378 62.100 -0.383 0.000 1.107 301 T CB -0.283 68.355 68.868 -0.384 0.000 0.898 301 T HN 0.696 nan 8.240 nan 0.000 0.517 302 T N -0.518 113.898 114.554 -0.230 0.000 3.118 302 T HA 0.085 4.434 4.350 -0.000 0.000 0.260 302 T C 0.710 175.422 174.700 0.021 0.000 1.139 302 T CA -0.440 61.597 62.100 -0.106 0.000 1.085 302 T CB -0.578 68.225 68.868 -0.108 0.000 0.934 302 T HN 0.240 nan 8.240 nan 0.000 0.518 303 N N 3.361 122.085 118.700 0.039 0.000 2.412 303 N HA 0.125 4.864 4.740 -0.000 0.000 0.258 303 N C -1.834 173.737 175.510 0.101 0.000 1.236 303 N CA -1.773 51.327 53.050 0.084 0.000 0.882 303 N CB 1.212 39.769 38.487 0.117 0.000 1.066 303 N HN 0.130 nan 8.380 nan 0.000 0.465 304 P HA -0.134 nan 4.420 nan 0.000 0.218 304 P C 1.190 178.517 177.300 0.045 0.000 1.148 304 P CA 1.483 64.610 63.100 0.045 0.000 0.822 304 P CB 0.100 31.820 31.700 0.033 0.000 0.784 305 T N -3.797 110.801 114.554 0.072 0.000 2.777 305 T HA -0.213 4.137 4.350 -0.000 0.000 0.266 305 T C 1.857 176.602 174.700 0.075 0.000 1.040 305 T CA 1.496 63.633 62.100 0.061 0.000 1.141 305 T CB -1.343 67.569 68.868 0.073 0.000 0.868 305 T HN 0.146 nan 8.240 nan 0.000 0.444 306 H N 1.686 120.778 119.070 0.037 0.000 2.326 306 H HA 0.048 4.603 4.556 -0.001 0.000 0.301 306 H C 2.248 177.582 175.328 0.010 0.000 1.081 306 H CA 1.912 57.982 56.048 0.037 0.000 1.334 306 H CB -0.261 29.525 29.762 0.039 0.000 1.385 306 H HN 0.526 nan 8.280 nan 0.000 0.504 307 E N 0.282 120.464 120.200 -0.029 0.000 2.077 307 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 307 E C 2.161 178.665 176.600 -0.160 0.000 0.989 307 E CA 1.165 57.495 56.400 -0.116 0.000 0.800 307 E CB -0.036 29.638 29.700 -0.044 0.000 0.746 307 E HN 0.476 nan 8.360 nan 0.000 0.452 308 K N 1.351 121.688 120.400 -0.104 0.000 2.097 308 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 308 K C 2.286 178.815 176.600 -0.117 0.000 1.050 308 K CA 0.706 56.934 56.287 -0.098 0.000 0.938 308 K CB -0.106 32.358 32.500 -0.060 0.000 0.718 308 K HN 0.103 nan 8.250 nan 0.000 0.442 309 L N 0.823 121.968 121.223 -0.129 0.000 2.017 309 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 309 L C 1.998 178.757 176.870 -0.185 0.000 1.073 309 L CA 1.208 55.977 54.840 -0.118 0.000 0.745 309 L CB -0.179 41.836 42.059 -0.073 0.000 0.894 309 L HN 0.021 nan 8.230 nan 0.000 0.432 310 V N -0.044 119.690 119.914 -0.298 0.000 2.407 310 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 310 V C 2.511 178.480 176.094 -0.208 0.000 1.055 310 V CA 2.047 64.161 62.300 -0.309 0.000 1.049 310 V CB -0.661 30.955 31.823 -0.344 0.000 0.662 310 V HN 0.563 nan 8.190 nan 0.000 0.455 311 Q N -0.559 119.135 119.800 -0.176 0.000 2.119 311 Q HA -0.215 4.125 4.340 -0.000 0.000 0.201 311 Q C 2.058 178.019 176.000 -0.064 0.000 0.972 311 Q CA 1.614 57.341 55.803 -0.126 0.000 0.847 311 Q CB -0.242 28.404 28.738 -0.153 0.000 0.903 311 Q HN 0.619 nan 8.270 nan 0.000 0.433 312 D N 0.527 120.873 120.400 -0.090 0.000 2.144 312 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 312 D C 1.823 178.063 176.300 -0.099 0.000 0.984 312 D CA 0.806 54.764 54.000 -0.070 0.000 0.834 312 D CB -0.002 40.762 40.800 -0.060 0.000 0.955 312 D HN 0.169 nan 8.370 nan 0.000 0.465 313 I N 0.287 120.741 120.570 -0.192 0.000 2.252 313 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 313 I C 2.404 178.359 176.117 -0.270 0.000 1.102 313 I CA 0.669 61.759 61.300 -0.350 0.000 1.385 313 I CB -1.008 36.522 38.000 -0.784 0.000 1.064 313 I HN 0.273 nan 8.210 nan 0.000 0.414 314 W N 2.924 124.011 121.300 -0.355 0.000 2.302 314 W HA -0.307 4.352 4.660 -0.001 0.000 0.320 314 W C 2.402 178.798 176.519 -0.205 0.000 1.241 314 W CA 1.940 59.114 57.345 -0.285 0.000 1.264 314 W CB -0.315 28.984 29.460 -0.269 0.000 1.154 314 W HN 0.178 nan 8.180 nan 0.000 0.483 315 K N 0.054 120.511 120.400 0.095 0.000 2.147 315 K HA -0.182 4.138 4.320 -0.000 0.000 0.205 315 K C 2.121 178.685 176.600 -0.060 0.000 1.049 315 K CA 1.596 57.903 56.287 0.033 0.000 0.936 315 K CB -0.258 32.262 32.500 0.032 0.000 0.722 315 K HN 0.117 nan 8.250 nan 0.000 0.446 316 K N 0.395 120.740 120.400 -0.092 0.000 2.025 316 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 316 K C 1.956 178.501 176.600 -0.091 0.000 1.049 316 K CA 0.952 57.189 56.287 -0.084 0.000 0.933 316 K CB -0.077 32.366 32.500 -0.093 0.000 0.714 316 K HN -0.040 nan 8.250 nan 0.000 0.438 317 L N 0.851 121.977 121.223 -0.162 0.000 2.083 317 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 317 L C 2.336 179.123 176.870 -0.137 0.000 1.083 317 L CA 1.645 56.410 54.840 -0.125 0.000 0.752 317 L CB -0.855 41.060 42.059 -0.240 0.000 0.899 317 L HN 0.149 nan 8.230 nan 0.000 0.433 318 A N -0.782 121.893 122.820 -0.242 0.000 1.898 318 A HA -0.099 4.220 4.320 -0.000 0.000 0.216 318 A C 2.478 180.024 177.584 -0.062 0.000 1.181 318 A CA 1.608 53.544 52.037 -0.169 0.000 0.620 318 A CB -0.858 18.043 19.000 -0.164 0.000 0.819 318 A HN 0.368 nan 8.150 nan 0.000 0.442 319 A N -0.722 122.070 122.820 -0.047 0.000 1.969 319 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 319 A C 2.017 179.597 177.584 -0.008 0.000 1.169 319 A CA 1.645 53.671 52.037 -0.019 0.000 0.635 319 A CB -0.297 18.694 19.000 -0.016 0.000 0.810 319 A HN 0.280 nan 8.150 nan 0.000 0.445 320 K N -1.280 119.118 120.400 -0.003 0.000 2.283 320 K HA -0.029 4.291 4.320 -0.000 0.000 0.202 320 K C 1.290 177.899 176.600 0.015 0.000 1.048 320 K CA 0.912 57.211 56.287 0.019 0.000 0.948 320 K CB -0.502 32.034 32.500 0.060 0.000 0.742 320 K HN 0.876 nan 8.250 nan 0.000 0.458 321 G N 1.519 110.323 108.800 0.007 0.000 2.131 321 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.223 321 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.223 321 G C 0.188 175.099 174.900 0.018 0.000 0.990 321 G CA 0.336 45.441 45.100 0.009 0.000 0.671 321 G HN 0.251 nan 8.290 nan 0.000 0.521 322 D N 0.155 120.571 120.400 0.026 0.000 2.328 322 D HA 0.254 4.894 4.640 -0.000 0.000 0.221 322 D C 1.111 177.411 176.300 -0.000 0.000 1.072 322 D CA 0.398 54.401 54.000 0.006 0.000 0.850 322 D CB 0.481 41.336 40.800 0.092 0.000 0.922 322 D HN 0.542 nan 8.370 nan 0.000 0.516 323 I N 0.920 121.497 120.570 0.011 0.000 2.509 323 I HA 0.283 4.453 4.170 -0.000 0.000 0.293 323 I C -0.808 175.385 176.117 0.127 0.000 1.020 323 I CA -1.219 60.063 61.300 -0.029 0.000 1.088 323 I CB 1.693 39.550 38.000 -0.240 0.000 1.267 323 I HN -0.168 nan 8.210 nan 0.000 0.430 324 Y N 4.247 124.593 120.300 0.075 0.000 2.609 324 Y HA 0.726 5.276 4.550 -0.000 0.000 0.342 324 Y C -1.395 174.577 175.900 0.120 0.000 1.058 324 Y CA -1.610 56.546 58.100 0.092 0.000 1.055 324 Y CB 1.088 39.565 38.460 0.029 0.000 1.292 324 Y HN 0.369 nan 8.280 nan 0.000 0.476 325 L N 2.449 123.783 121.223 0.184 0.000 2.290 325 L HA 0.831 5.171 4.340 -0.000 0.000 0.284 325 L C 0.098 177.011 176.870 0.071 0.000 1.078 325 L CA 0.581 55.364 54.840 -0.095 0.000 0.815 325 L CB 0.501 42.446 42.059 -0.190 0.000 1.162 325 L HN 1.051 nan 8.230 nan 0.000 0.435 326 G N 3.910 112.687 108.800 -0.040 0.000 2.947 326 G HA2 0.432 4.392 3.960 -0.000 0.000 0.293 326 G HA3 0.432 4.392 3.960 -0.000 0.000 0.293 326 G C -1.468 173.428 174.900 -0.007 0.000 1.243 326 G CA -0.684 44.455 45.100 0.066 0.000 0.802 326 G HN 0.415 nan 8.290 nan 0.000 0.560 327 K N -0.018 120.389 120.400 0.011 0.000 2.463 327 K HA 0.348 4.668 4.320 -0.000 0.000 0.255 327 K C -1.915 174.667 176.600 -0.030 0.000 0.942 327 K CA -0.653 55.625 56.287 -0.015 0.000 0.814 327 K CB 2.420 34.902 32.500 -0.029 0.000 1.122 327 K HN 0.482 nan 8.250 nan 0.000 0.425 328 Y N 2.795 123.002 120.300 -0.154 0.000 2.365 328 Y HA 0.139 4.689 4.550 -0.000 0.000 0.340 328 Y C -0.687 175.061 175.900 -0.253 0.000 1.016 328 Y CA 0.038 58.005 58.100 -0.221 0.000 1.196 328 Y CB 0.844 39.143 38.460 -0.269 0.000 1.167 328 Y HN 0.490 nan 8.280 nan 0.000 0.509 329 E N 4.794 124.453 120.200 -0.902 0.000 2.235 329 E HA 0.621 4.970 4.350 -0.000 0.000 0.252 329 E C -0.391 175.324 176.600 -1.474 0.000 0.886 329 E CA -0.561 55.293 56.400 -0.911 0.000 0.767 329 E CB 1.324 30.802 29.700 -0.370 0.000 1.205 329 E HN 0.910 nan 8.360 nan 0.000 0.421 330 G N 2.114 109.707 108.800 -2.013 0.000 2.321 330 G HA2 0.196 4.156 3.960 -0.000 0.000 0.296 330 G HA3 0.196 4.156 3.960 -0.000 0.000 0.296 330 G C -1.881 172.478 174.900 -0.901 0.000 1.287 330 G CA -1.092 43.028 45.100 -1.635 0.000 0.846 330 G HN 0.304 nan 8.290 nan 0.000 0.508 331 W N -0.503 120.833 121.300 0.060 0.000 2.251 331 W HA 0.651 5.311 4.660 -0.001 0.000 0.329 331 W C -0.510 176.251 176.519 0.403 0.000 1.234 331 W CA -0.211 57.305 57.345 0.285 0.000 1.228 331 W CB 1.142 30.791 29.460 0.316 0.000 1.135 331 W HN 0.503 nan 8.180 nan 0.000 0.576 332 Y N 1.746 122.291 120.300 0.408 0.000 2.421 332 Y HA 0.384 4.933 4.550 -0.001 0.000 0.339 332 Y C -0.428 175.569 175.900 0.161 0.000 0.996 332 Y CA -1.393 56.793 58.100 0.143 0.000 1.046 332 Y CB 2.008 40.442 38.460 -0.043 0.000 1.226 332 Y HN 0.241 nan 8.280 nan 0.000 0.445 333 S N 4.741 120.243 115.700 -0.330 0.000 2.404 333 S HA 0.335 4.805 4.470 -0.000 0.000 0.309 333 S C 0.508 174.838 174.600 -0.450 0.000 1.076 333 S CA -0.518 57.553 58.200 -0.214 0.000 1.095 333 S CB 0.445 63.603 63.200 -0.071 0.000 0.972 333 S HN 0.645 nan 8.310 nan 0.000 0.484 334 V N 5.059 124.861 119.914 -0.186 0.000 2.343 334 V HA -0.089 4.031 4.120 -0.000 0.000 0.247 334 V C 2.674 178.660 176.094 -0.179 0.000 1.051 334 V CA 2.150 64.390 62.300 -0.100 0.000 1.036 334 V CB -0.914 30.936 31.823 0.046 0.000 0.654 334 V HN 0.876 nan 8.190 nan 0.000 0.451 335 S N -0.318 115.241 115.700 -0.236 0.000 2.400 335 S HA -0.204 4.266 4.470 -0.000 0.000 0.232 335 S C 1.530 176.011 174.600 -0.198 0.000 1.025 335 S CA 1.763 59.763 58.200 -0.334 0.000 0.993 335 S CB -0.335 62.397 63.200 -0.780 0.000 0.808 335 S HN 0.695 nan 8.310 nan 0.000 0.478 336 D N 0.502 120.852 120.400 -0.082 0.000 2.379 336 D HA 0.080 4.719 4.640 -0.000 0.000 0.208 336 D C -0.063 176.384 176.300 0.245 0.000 1.065 336 D CA 0.146 54.233 54.000 0.145 0.000 0.848 336 D CB 0.010 40.941 40.800 0.219 0.000 0.949 336 D HN 0.332 nan 8.370 nan 0.000 0.509 337 E N 0.818 121.015 120.200 -0.005 0.000 2.228 337 E HA -0.190 4.160 4.350 -0.000 0.000 0.213 337 E C -0.430 176.323 176.600 0.255 0.000 1.282 337 E CA 0.514 56.971 56.400 0.096 0.000 0.707 337 E CB -1.806 28.108 29.700 0.357 0.000 1.150 337 E HN 0.116 nan 8.360 nan 0.000 0.362 338 S N 0.090 115.616 115.700 -0.291 0.000 2.557 338 S HA 0.629 5.099 4.470 -0.000 0.000 0.291 338 S C -0.484 173.989 174.600 -0.213 0.000 1.116 338 S CA -0.732 57.517 58.200 0.081 0.000 0.992 338 S CB 0.710 64.071 63.200 0.269 0.000 1.028 338 S HN 0.163 nan 8.310 nan 0.000 0.484 339 F N 3.767 123.893 119.950 0.294 0.000 2.412 339 F HA 0.528 5.055 4.527 -0.001 0.000 0.348 339 F C 0.275 176.237 175.800 0.271 0.000 1.102 339 F CA -0.437 57.722 58.000 0.265 0.000 1.196 339 F CB 0.820 39.853 39.000 0.056 0.000 1.144 339 F HN 0.328 nan 8.300 nan 0.000 0.541 340 L N 2.763 124.298 121.223 0.520 0.000 2.385 340 L HA 0.442 4.782 4.340 -0.000 0.000 0.273 340 L C 0.148 177.301 176.870 0.472 0.000 0.990 340 L CA -0.873 54.218 54.840 0.420 0.000 0.821 340 L CB 2.315 44.581 42.059 0.346 0.000 1.279 340 L HN 0.717 nan 8.230 nan 0.000 0.412 341 T N -0.784 113.998 114.554 0.381 0.000 2.754 341 T HA 0.344 4.694 4.350 -0.000 0.000 0.286 341 T C 1.271 176.194 174.700 0.371 0.000 0.997 341 T CA 0.048 62.357 62.100 0.348 0.000 0.982 341 T CB 1.495 70.584 68.868 0.368 0.000 1.027 341 T HN 0.632 nan 8.240 nan 0.000 0.529 342 A N 0.139 123.168 122.820 0.349 0.000 2.019 342 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 342 A C 2.264 179.991 177.584 0.239 0.000 1.164 342 A CA 1.224 53.473 52.037 0.353 0.000 0.644 342 A CB -0.844 18.335 19.000 0.298 0.000 0.805 342 A HN 0.893 nan 8.150 nan 0.000 0.449 343 Q N -0.611 119.318 119.800 0.214 0.000 2.403 343 Q HA 0.093 4.433 4.340 -0.000 0.000 0.203 343 Q C 0.106 176.185 176.000 0.132 0.000 0.932 343 Q CA 0.010 55.907 55.803 0.156 0.000 0.945 343 Q CB 0.134 28.963 28.738 0.151 0.000 1.045 343 Q HN 0.522 nan 8.270 nan 0.000 0.511 344 N N 0.551 119.341 118.700 0.151 0.000 2.282 344 N HA 0.092 4.832 4.740 -0.000 0.000 0.240 344 N C -0.547 175.005 175.510 0.071 0.000 1.182 344 N CA 0.214 53.336 53.050 0.119 0.000 0.874 344 N CB 1.546 40.125 38.487 0.153 0.000 1.126 344 N HN 0.048 nan 8.380 nan 0.000 0.516 345 V N -2.733 117.193 119.914 0.020 0.000 3.078 345 V HA 1.016 5.136 4.120 -0.000 0.000 0.311 345 V C -0.826 175.214 176.094 -0.090 0.000 1.138 345 V CA -1.110 61.126 62.300 -0.106 0.000 1.007 345 V CB 1.827 33.427 31.823 -0.372 0.000 1.045 345 V HN -0.010 nan 8.190 nan 0.000 0.432 346 A N 1.263 124.014 122.820 -0.115 0.000 2.539 346 A HA 0.741 5.061 4.320 -0.000 0.000 0.296 346 A C -1.024 176.502 177.584 -0.096 0.000 1.073 346 A CA -0.653 51.341 52.037 -0.072 0.000 0.700 346 A CB 1.492 20.474 19.000 -0.030 0.000 1.296 346 A HN 0.896 nan 8.150 nan 0.000 0.405 347 D N 0.774 121.138 120.400 -0.061 0.000 2.450 347 D HA 0.447 5.087 4.640 -0.000 0.000 0.247 347 D C 0.637 176.916 176.300 -0.036 0.000 1.162 347 D CA 1.593 55.564 54.000 -0.050 0.000 0.879 347 D CB 1.397 42.185 40.800 -0.021 0.000 1.163 347 D HN 0.818 nan 8.370 nan 0.000 0.472 348 G N 0.246 109.025 108.800 -0.035 0.000 3.003 348 G HA2 0.563 4.522 3.960 -0.000 0.000 0.243 348 G HA3 0.563 4.522 3.960 -0.000 0.000 0.243 348 G C -1.311 173.583 174.900 -0.010 0.000 1.176 348 G CA -0.330 44.758 45.100 -0.020 0.000 0.812 348 G HN 0.449 nan 8.290 nan 0.000 0.584 349 V N 0.892 120.804 119.914 -0.004 0.000 2.888 349 V HA 0.603 4.723 4.120 -0.000 0.000 0.309 349 V C -1.427 174.672 176.094 0.009 0.000 1.114 349 V CA -0.499 61.804 62.300 0.005 0.000 0.940 349 V CB 1.982 33.809 31.823 0.006 0.000 1.021 349 V HN 1.101 nan 8.190 nan 0.000 0.426 350 D N 4.604 125.016 120.400 0.020 0.000 2.506 350 D HA 0.241 4.881 4.640 -0.000 0.000 0.272 350 D C 1.142 177.457 176.300 0.024 0.000 1.214 350 D CA -0.128 53.889 54.000 0.028 0.000 1.067 350 D CB 0.582 41.408 40.800 0.042 0.000 1.117 350 D HN 0.686 nan 8.370 nan 0.000 0.578 351 R N -0.875 119.643 120.500 0.030 0.000 2.249 351 R HA -0.098 4.241 4.340 -0.000 0.000 0.230 351 R C -0.103 176.210 176.300 0.023 0.000 1.121 351 R CA 1.290 57.405 56.100 0.025 0.000 0.997 351 R CB -0.448 29.871 30.300 0.032 0.000 0.867 351 R HN 0.288 nan 8.270 nan 0.000 0.465 352 D N -0.290 120.124 120.400 0.024 0.000 2.363 352 D HA 0.138 4.778 4.640 -0.000 0.000 0.214 352 D C 0.943 177.255 176.300 0.019 0.000 1.093 352 D CA 0.739 54.752 54.000 0.022 0.000 0.837 352 D CB 1.003 41.818 40.800 0.024 0.000 0.948 352 D HN 0.497 nan 8.370 nan 0.000 0.507 353 G N 1.441 110.252 108.800 0.018 0.000 2.179 353 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 353 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 353 G C 0.346 175.257 174.900 0.017 0.000 0.977 353 G CA -0.111 44.999 45.100 0.016 0.000 0.641 353 G HN 0.276 nan 8.290 nan 0.000 0.533 354 K N 1.574 121.987 120.400 0.021 0.000 2.312 354 K HA 0.375 4.695 4.320 -0.000 0.000 0.287 354 K C -2.431 174.183 176.600 0.024 0.000 1.062 354 K CA -1.575 54.726 56.287 0.024 0.000 0.934 354 K CB 1.246 33.763 32.500 0.029 0.000 1.027 354 K HN 0.109 nan 8.250 nan 0.000 0.478 355 P HA 0.033 nan 4.420 nan 0.000 0.271 355 P C -0.347 176.967 177.300 0.022 0.000 1.218 355 P CA -0.497 62.613 63.100 0.017 0.000 0.780 355 P CB 0.514 32.223 31.700 0.015 0.000 0.901 356 C N 0.020 119.326 119.300 0.011 0.000 3.284 356 C HA 0.565 5.025 4.460 -0.000 0.000 0.348 356 C C -1.294 173.672 174.990 -0.041 0.000 1.448 356 C CA -1.054 57.971 59.018 0.011 0.000 1.223 356 C CB 1.145 28.904 27.740 0.031 0.000 1.588 356 C HN 0.312 nan 8.230 nan 0.000 0.451 357 K N 1.146 121.484 120.400 -0.103 0.000 2.143 357 K HA 0.688 5.008 4.320 -0.000 0.000 0.272 357 K C -0.143 176.346 176.600 -0.185 0.000 1.001 357 K CA -0.033 56.099 56.287 -0.259 0.000 0.915 357 K CB 1.674 33.757 32.500 -0.695 0.000 1.047 357 K HN 1.188 nan 8.250 nan 0.000 0.458 358 V N -1.720 118.097 119.914 -0.161 0.000 3.001 358 V HA 0.482 4.602 4.120 -0.000 0.000 0.314 358 V C 0.084 176.133 176.094 -0.074 0.000 1.099 358 V CA -1.069 61.185 62.300 -0.076 0.000 0.989 358 V CB 1.865 33.667 31.823 -0.035 0.000 1.040 358 V HN 0.687 nan 8.190 nan 0.000 0.434 359 S N 1.182 116.882 115.700 0.000 0.000 2.531 359 S HA 0.386 4.856 4.470 -0.000 0.000 0.279 359 S C 0.752 175.376 174.600 0.039 0.000 1.305 359 S CA -0.480 57.742 58.200 0.037 0.000 1.058 359 S CB 0.164 63.424 63.200 0.100 0.000 0.899 359 S HN 0.739 nan 8.310 nan 0.000 0.493 360 L N 4.308 125.558 121.223 0.044 0.000 2.478 360 L HA 0.020 4.360 4.340 -0.000 0.000 0.223 360 L C 2.268 179.190 176.870 0.088 0.000 1.140 360 L CA 0.743 55.616 54.840 0.056 0.000 0.842 360 L CB -0.238 41.852 42.059 0.051 0.000 0.953 360 L HN 0.744 nan 8.230 nan 0.000 0.452 361 E N -0.182 120.083 120.200 0.109 0.000 2.028 361 E HA -0.157 4.192 4.350 -0.000 0.000 0.190 361 E C 1.958 178.669 176.600 0.186 0.000 0.984 361 E CA 1.699 58.189 56.400 0.149 0.000 0.800 361 E CB 0.049 29.844 29.700 0.159 0.000 0.758 361 E HN 0.458 nan 8.360 nan 0.000 0.448 362 S N -2.076 113.716 115.700 0.153 0.000 2.604 362 S HA 0.325 4.795 4.470 -0.000 0.000 0.235 362 S C 1.509 176.096 174.600 -0.021 0.000 1.043 362 S CA 0.301 58.574 58.200 0.123 0.000 0.997 362 S CB 1.263 64.605 63.200 0.235 0.000 0.956 362 S HN 0.377 nan 8.310 nan 0.000 0.535 363 G N 1.431 110.226 108.800 -0.007 0.000 2.205 363 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.261 363 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.261 363 G C 0.049 174.889 174.900 -0.100 0.000 0.980 363 G CA 0.369 45.426 45.100 -0.073 0.000 0.632 363 G HN 0.645 nan 8.290 nan 0.000 0.533 364 H N 0.005 119.090 119.070 0.024 0.000 2.679 364 H HA 0.376 4.932 4.556 -0.000 0.000 0.369 364 H C 0.856 176.194 175.328 0.016 0.000 1.178 364 H CA 0.255 56.316 56.048 0.021 0.000 1.419 364 H CB 1.140 30.917 29.762 0.026 0.000 1.458 364 H HN 0.083 nan 8.280 nan 0.000 0.605 365 V N 3.817 123.843 119.914 0.188 0.000 2.529 365 V HA -0.019 4.101 4.120 -0.000 0.000 0.292 365 V C 0.735 176.903 176.094 0.124 0.000 1.028 365 V CA -0.064 62.305 62.300 0.114 0.000 1.074 365 V CB 0.511 32.401 31.823 0.111 0.000 0.958 365 V HN 0.486 nan 8.190 nan 0.000 0.481 366 V N 2.755 122.728 119.914 0.099 0.000 2.713 366 V HA 0.936 5.056 4.120 -0.000 0.000 0.307 366 V C 0.059 176.381 176.094 0.381 0.000 1.052 366 V CA -0.323 62.094 62.300 0.195 0.000 0.967 366 V CB 1.760 33.650 31.823 0.112 0.000 1.019 366 V HN 0.939 nan 8.190 nan 0.000 0.459 367 T N 0.691 115.564 114.554 0.531 0.000 2.876 367 T HA 0.410 4.760 4.350 -0.000 0.000 0.289 367 T C -0.684 174.384 174.700 0.613 0.000 1.014 367 T CA -0.341 62.093 62.100 0.557 0.000 0.986 367 T CB 1.823 70.896 68.868 0.343 0.000 1.021 367 T HN 1.029 nan 8.240 nan 0.000 0.458 368 W N 3.517 124.965 121.300 0.246 0.000 2.311 368 W HA 0.519 5.179 4.660 -0.000 0.000 0.310 368 W C -1.597 174.929 176.519 0.011 0.000 1.274 368 W CA -0.546 56.733 57.345 -0.110 0.000 1.215 368 W CB 0.882 30.133 29.460 -0.349 0.000 1.227 368 W HN 0.491 nan 8.180 nan 0.000 0.523 369 V N 6.610 126.235 119.914 -0.483 0.000 2.448 369 V HA 0.228 4.348 4.120 -0.000 0.000 0.295 369 V C -0.452 175.373 176.094 -0.449 0.000 1.025 369 V CA -0.625 61.521 62.300 -0.256 0.000 0.859 369 V CB 1.804 33.616 31.823 -0.018 0.000 0.988 369 V HN 0.402 nan 8.190 nan 0.000 0.431 370 E N 4.257 124.340 120.200 -0.195 0.000 2.186 370 E HA 0.600 4.950 4.350 -0.000 0.000 0.255 370 E C -0.859 175.712 176.600 -0.048 0.000 0.881 370 E CA -0.345 55.980 56.400 -0.125 0.000 0.752 370 E CB 2.324 32.028 29.700 0.006 0.000 1.176 370 E HN 0.713 nan 8.360 nan 0.000 0.421 371 E N 2.557 122.734 120.200 -0.037 0.000 2.354 371 E HA 0.107 4.457 4.350 -0.000 0.000 0.283 371 E C -1.312 175.287 176.600 -0.001 0.000 0.938 371 E CA -0.530 55.860 56.400 -0.016 0.000 0.777 371 E CB 1.556 31.248 29.700 -0.013 0.000 1.222 371 E HN 0.339 nan 8.360 nan 0.000 0.423 372 E N 2.347 122.545 120.200 -0.004 0.000 2.351 372 E HA 0.131 4.481 4.350 -0.000 0.000 0.266 372 E C -0.763 175.897 176.600 0.100 0.000 1.031 372 E CA 0.531 56.943 56.400 0.021 0.000 0.911 372 E CB 0.461 30.174 29.700 0.023 0.000 0.986 372 E HN 0.276 nan 8.360 nan 0.000 0.446 373 N N 2.168 120.895 118.700 0.045 0.000 2.235 373 N HA 0.180 4.920 4.740 -0.000 0.000 0.293 373 N C -1.337 174.106 175.510 -0.113 0.000 1.083 373 N CA -0.740 52.349 53.050 0.066 0.000 0.801 373 N CB 1.158 39.651 38.487 0.010 0.000 1.559 373 N HN 0.299 nan 8.380 nan 0.000 0.472 374 Y N 1.473 121.743 120.300 -0.049 0.000 2.511 374 Y HA 0.131 4.681 4.550 0.000 0.000 0.332 374 Y C 0.491 176.291 175.900 -0.167 0.000 1.177 374 Y CA 0.246 58.291 58.100 -0.091 0.000 1.422 374 Y CB 0.466 38.995 38.460 0.116 0.000 1.271 374 Y HN 0.214 nan 8.280 nan 0.000 0.550 375 M N 4.286 123.720 119.600 -0.276 0.000 2.456 375 M HA 0.255 4.735 4.480 -0.000 0.000 0.324 375 M C -1.071 175.028 176.300 -0.334 0.000 1.124 375 M CA -0.943 54.082 55.300 -0.459 0.000 0.959 375 M CB 1.581 33.575 32.600 -1.009 0.000 1.692 375 M HN 0.568 nan 8.290 nan 0.000 0.444 376 F N 2.424 122.244 119.950 -0.217 0.000 2.404 376 F HA 0.424 4.950 4.527 -0.000 0.000 0.339 376 F C 0.573 176.428 175.800 0.092 0.000 1.105 376 F CA -0.490 57.480 58.000 -0.050 0.000 1.087 376 F CB 0.919 39.962 39.000 0.072 0.000 1.143 376 F HN 0.551 nan 8.300 nan 0.000 0.491 377 R N 6.167 126.335 120.500 -0.553 0.000 4.860 377 R HA 0.062 4.402 4.340 -0.000 0.000 0.191 377 R C 1.292 177.486 176.300 -0.176 0.000 1.936 377 R CA -0.155 55.819 56.100 -0.209 0.000 1.609 377 R CB -0.472 29.766 30.300 -0.104 0.000 1.392 377 R HN 0.710 nan 8.270 nan 0.000 0.844 378 L N 0.695 121.886 121.223 -0.054 0.000 2.127 378 L HA -0.216 4.124 4.340 -0.000 0.000 0.211 378 L C 2.139 179.166 176.870 0.262 0.000 1.089 378 L CA 2.022 56.993 54.840 0.219 0.000 0.757 378 L CB -0.339 41.897 42.059 0.295 0.000 0.899 378 L HN 0.375 nan 8.230 nan 0.000 0.434 379 S N -0.702 115.097 115.700 0.165 0.000 2.419 379 S HA -0.148 4.322 4.470 -0.000 0.000 0.235 379 S C 2.002 176.638 174.600 0.060 0.000 1.019 379 S CA 0.828 59.092 58.200 0.106 0.000 0.982 379 S CB -0.920 62.328 63.200 0.081 0.000 0.789 379 S HN 0.504 nan 8.310 nan 0.000 0.490 380 A N -0.032 122.799 122.820 0.020 0.000 2.206 380 A HA 0.374 4.694 4.320 -0.000 0.000 0.211 380 A C 1.321 178.712 177.584 -0.321 0.000 1.158 380 A CA 0.340 52.268 52.037 -0.182 0.000 0.761 380 A CB -0.685 18.119 19.000 -0.326 0.000 0.801 380 A HN 0.574 nan 8.150 nan 0.000 0.473 381 F N -1.000 118.931 119.950 -0.032 0.000 2.695 381 F HA 0.250 4.776 4.527 -0.000 0.000 0.303 381 F C 1.900 177.693 175.800 -0.011 0.000 1.091 381 F CA -0.058 57.934 58.000 -0.014 0.000 1.300 381 F CB -0.064 38.950 39.000 0.024 0.000 1.071 381 F HN 0.181 nan 8.300 nan 0.000 0.578 382 R N 1.095 121.669 120.500 0.124 0.000 2.112 382 R HA -0.198 4.142 4.340 -0.000 0.000 0.242 382 R C 1.976 178.309 176.300 0.054 0.000 1.137 382 R CA 2.168 58.320 56.100 0.088 0.000 0.944 382 R CB -0.167 30.166 30.300 0.055 0.000 0.857 382 R HN 0.190 nan 8.270 nan 0.000 0.435 383 E N -0.001 120.212 120.200 0.021 0.000 2.106 383 E HA -0.165 4.184 4.350 -0.000 0.000 0.192 383 E C 2.206 178.812 176.600 0.011 0.000 0.984 383 E CA 0.999 57.409 56.400 0.018 0.000 0.806 383 E CB -0.082 29.616 29.700 -0.003 0.000 0.750 383 E HN 0.422 nan 8.360 nan 0.000 0.458 384 R N 0.364 120.864 120.500 0.001 0.000 2.092 384 R HA -0.019 4.321 4.340 -0.000 0.000 0.231 384 R C 2.593 178.866 176.300 -0.044 0.000 1.119 384 R CA 0.675 56.778 56.100 0.005 0.000 0.970 384 R CB -0.225 30.093 30.300 0.030 0.000 0.864 384 R HN 0.122 nan 8.270 nan 0.000 0.440 385 L N 0.467 121.637 121.223 -0.089 0.000 2.027 385 L HA -0.182 4.158 4.340 -0.000 0.000 0.206 385 L C 2.328 178.783 176.870 -0.692 0.000 1.074 385 L CA 1.200 55.801 54.840 -0.399 0.000 0.745 385 L CB -0.421 41.483 42.059 -0.259 0.000 0.898 385 L HN 0.186 nan 8.230 nan 0.000 0.433 386 L N -0.101 120.989 121.223 -0.221 0.000 2.042 386 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 386 L C 2.736 179.613 176.870 0.012 0.000 1.076 386 L CA 1.466 56.292 54.840 -0.023 0.000 0.749 386 L CB -0.522 41.622 42.059 0.142 0.000 0.893 386 L HN 0.285 nan 8.230 nan 0.000 0.432 387 K N -0.490 119.938 120.400 0.046 0.000 2.057 387 K HA -0.261 4.059 4.320 -0.000 0.000 0.207 387 K C 2.337 179.015 176.600 0.130 0.000 1.049 387 K CA 1.582 57.940 56.287 0.118 0.000 0.931 387 K CB -0.258 32.295 32.500 0.089 0.000 0.714 387 K HN 0.173 nan 8.250 nan 0.000 0.440 388 Y N 0.831 121.071 120.300 -0.101 0.000 2.145 388 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 388 Y C 1.649 177.612 175.900 0.105 0.000 1.145 388 Y CA 1.676 59.766 58.100 -0.016 0.000 1.148 388 Y CB -0.512 37.804 38.460 -0.240 0.000 0.981 388 Y HN -0.007 nan 8.280 nan 0.000 0.507 389 F N -0.066 119.807 119.950 -0.129 0.000 2.126 389 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 389 F C 2.656 178.321 175.800 -0.224 0.000 1.096 389 F CA 1.821 59.631 58.000 -0.317 0.000 1.255 389 F CB -1.327 37.478 39.000 -0.326 0.000 0.997 389 F HN 0.226 nan 8.300 nan 0.000 0.479 390 H N -0.523 118.633 119.070 0.143 0.000 2.428 390 H HA -0.052 4.504 4.556 -0.000 0.000 0.296 390 H C 1.412 176.737 175.328 -0.005 0.000 1.062 390 H CA 1.407 57.493 56.048 0.064 0.000 1.350 390 H CB -0.371 29.427 29.762 0.060 0.000 1.403 390 H HN 0.205 nan 8.280 nan 0.000 0.533 391 D N 0.062 120.515 120.400 0.089 0.000 2.347 391 D HA -0.023 4.616 4.640 -0.000 0.000 0.213 391 D C 0.027 176.079 176.300 -0.414 0.000 0.985 391 D CA 0.681 54.604 54.000 -0.128 0.000 0.879 391 D CB -0.056 40.660 40.800 -0.140 0.000 0.919 391 D HN 0.465 nan 8.370 nan 0.000 0.526 392 H N -1.148 117.871 119.070 -0.084 0.000 2.569 392 H HA 0.236 4.792 4.556 -0.000 0.000 0.247 392 H C -1.853 173.406 175.328 -0.116 0.000 1.346 392 H CA -1.397 54.575 56.048 -0.128 0.000 1.502 392 H CB 1.447 31.043 29.762 -0.276 0.000 1.512 392 H HN -0.112 nan 8.280 nan 0.000 0.502 393 P HA -0.062 nan 4.420 nan 0.000 0.226 393 P C -0.085 177.216 177.300 0.001 0.000 1.153 393 P CA 0.952 64.058 63.100 0.010 0.000 0.777 393 P CB 0.302 32.012 31.700 0.016 0.000 0.794 394 N N -1.371 117.336 118.700 0.012 0.000 2.328 394 N HA 0.039 4.778 4.740 -0.000 0.000 0.247 394 N C 0.996 176.504 175.510 -0.005 0.000 1.165 394 N CA -0.202 52.854 53.050 0.010 0.000 0.873 394 N CB -0.378 38.132 38.487 0.037 0.000 1.125 394 N HN 0.224 nan 8.380 nan 0.000 0.513 395 C N -0.833 118.442 119.300 -0.041 0.000 2.446 395 C HA 0.249 4.709 4.460 -0.000 0.000 0.279 395 C C 0.730 175.695 174.990 -0.041 0.000 1.366 395 C CA -0.301 58.675 59.018 -0.070 0.000 1.763 395 C CB -0.924 26.652 27.740 -0.274 0.000 1.929 395 C HN 0.241 nan 8.230 nan 0.000 0.509 396 I N 1.823 122.349 120.570 -0.072 0.000 2.478 396 I HA 0.513 4.683 4.170 -0.000 0.000 0.287 396 I C -0.556 175.497 176.117 -0.106 0.000 1.042 396 I CA -0.504 60.737 61.300 -0.099 0.000 1.067 396 I CB 2.014 39.914 38.000 -0.166 0.000 1.233 396 I HN 0.165 nan 8.210 nan 0.000 0.431 397 V N 3.981 123.838 119.914 -0.094 0.000 2.769 397 V HA 0.738 4.858 4.120 -0.000 0.000 0.312 397 V C -2.789 173.238 176.094 -0.113 0.000 1.061 397 V CA -2.509 59.749 62.300 -0.070 0.000 0.931 397 V CB 1.630 33.465 31.823 0.021 0.000 1.010 397 V HN 0.400 nan 8.190 nan 0.000 0.433 398 P HA 0.222 nan 4.420 nan 0.000 0.272 398 P C 0.569 177.766 177.300 -0.172 0.000 1.240 398 P CA -0.013 63.042 63.100 -0.075 0.000 0.791 398 P CB 0.752 32.454 31.700 0.004 0.000 0.978 399 E N 1.197 121.370 120.200 -0.043 0.000 2.118 399 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 399 E C 1.502 178.073 176.600 -0.048 0.000 0.992 399 E CA 1.705 58.084 56.400 -0.036 0.000 0.804 399 E CB -1.086 28.632 29.700 0.030 0.000 0.741 399 E HN 0.547 nan 8.360 nan 0.000 0.458 400 F N -0.281 119.637 119.950 -0.052 0.000 2.333 400 F HA 0.073 4.600 4.527 -0.000 0.000 0.300 400 F C 1.892 177.639 175.800 -0.088 0.000 1.083 400 F CA 0.832 58.793 58.000 -0.065 0.000 1.395 400 F CB -0.273 38.691 39.000 -0.059 0.000 1.056 400 F HN -0.115 nan 8.300 nan 0.000 0.529 401 R N 0.475 120.492 120.500 -0.804 0.000 2.119 401 R HA 0.005 4.345 4.340 -0.000 0.000 0.222 401 R C 2.412 178.494 176.300 -0.363 0.000 1.088 401 R CA 0.900 56.636 56.100 -0.606 0.000 0.984 401 R CB -0.442 29.452 30.300 -0.677 0.000 0.884 401 R HN 0.327 nan 8.270 nan 0.000 0.447 402 R N 1.046 121.358 120.500 -0.314 0.000 2.091 402 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 402 R C 2.152 178.278 176.300 -0.290 0.000 1.136 402 R CA 1.443 57.360 56.100 -0.305 0.000 0.959 402 R CB 0.040 30.210 30.300 -0.217 0.000 0.856 402 R HN 0.080 nan 8.270 nan 0.000 0.437 403 R N 0.444 120.841 120.500 -0.171 0.000 2.092 403 R HA -0.113 4.227 4.340 -0.000 0.000 0.231 403 R C 2.096 178.330 176.300 -0.109 0.000 1.119 403 R CA 1.466 57.506 56.100 -0.100 0.000 0.970 403 R CB -0.336 29.957 30.300 -0.011 0.000 0.864 403 R HN 0.478 nan 8.270 nan 0.000 0.440 404 E N 0.380 120.511 120.200 -0.115 0.000 2.077 404 E HA -0.126 4.223 4.350 -0.000 0.000 0.193 404 E C 2.083 178.590 176.600 -0.156 0.000 0.989 404 E CA 1.175 57.516 56.400 -0.098 0.000 0.800 404 E CB -0.001 29.646 29.700 -0.088 0.000 0.746 404 E HN 0.034 nan 8.360 nan 0.000 0.452 405 V N 1.323 121.079 119.914 -0.264 0.000 2.307 405 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 405 V C 2.221 178.117 176.094 -0.330 0.000 1.045 405 V CA 1.468 63.558 62.300 -0.349 0.000 1.024 405 V CB -0.346 31.131 31.823 -0.577 0.000 0.651 405 V HN 0.266 nan 8.190 nan 0.000 0.449 406 I N -0.287 120.063 120.570 -0.367 0.000 2.163 406 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 406 I C 2.547 178.641 176.117 -0.038 0.000 1.085 406 I CA 1.806 63.002 61.300 -0.174 0.000 1.347 406 I CB -0.398 37.515 38.000 -0.146 0.000 1.044 406 I HN 0.278 nan 8.210 nan 0.000 0.408 407 K N -0.010 120.362 120.400 -0.046 0.000 2.057 407 K HA -0.145 4.174 4.320 -0.000 0.000 0.207 407 K C 2.089 178.689 176.600 0.000 0.000 1.049 407 K CA 1.894 58.177 56.287 -0.006 0.000 0.931 407 K CB -0.340 32.155 32.500 -0.007 0.000 0.714 407 K HN 0.307 nan 8.250 nan 0.000 0.440 408 T N 0.869 115.410 114.554 -0.021 0.000 2.708 408 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 408 T C 2.007 176.720 174.700 0.022 0.000 1.037 408 T CA 1.304 63.400 62.100 -0.007 0.000 1.146 408 T CB -0.165 68.682 68.868 -0.035 0.000 0.865 408 T HN -0.054 nan 8.240 nan 0.000 0.435 409 V N 1.558 121.502 119.914 0.050 0.000 2.427 409 V HA -0.140 3.980 4.120 -0.000 0.000 0.248 409 V C 2.434 178.580 176.094 0.086 0.000 1.051 409 V CA 1.545 63.911 62.300 0.110 0.000 1.048 409 V CB -0.626 31.349 31.823 0.253 0.000 0.666 409 V HN 0.545 nan 8.190 nan 0.000 0.456 410 E N -0.070 120.176 120.200 0.078 0.000 2.153 410 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 410 E C 2.239 178.859 176.600 0.034 0.000 0.988 410 E CA 0.973 57.414 56.400 0.067 0.000 0.811 410 E CB -0.140 29.605 29.700 0.074 0.000 0.746 410 E HN 0.515 nan 8.360 nan 0.000 0.466 411 K N -0.194 120.218 120.400 0.020 0.000 2.211 411 K HA -0.039 4.281 4.320 -0.000 0.000 0.203 411 K C 0.407 176.984 176.600 -0.039 0.000 1.050 411 K CA 0.713 56.998 56.287 -0.002 0.000 0.945 411 K CB 0.222 32.723 32.500 0.001 0.000 0.732 411 K HN 0.199 nan 8.250 nan 0.000 0.451 412 G N 0.217 108.991 108.800 -0.042 0.000 2.627 412 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.680 412 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.680 412 G C -1.358 173.463 174.900 -0.131 0.000 1.341 412 G CA -1.044 43.997 45.100 -0.098 0.000 0.835 412 G HN 0.033 nan 8.290 nan 0.000 0.643 413 L N 1.156 122.321 121.223 -0.097 0.000 2.329 413 L HA 0.707 5.046 4.340 -0.000 0.000 0.279 413 L C 0.094 176.908 176.870 -0.094 0.000 1.014 413 L CA -0.995 53.821 54.840 -0.040 0.000 0.814 413 L CB 1.424 43.542 42.059 0.099 0.000 1.257 413 L HN 0.469 nan 8.230 nan 0.000 0.424 414 F N 0.304 120.330 119.950 0.127 0.000 2.378 414 F HA 0.221 4.748 4.527 -0.001 0.000 0.319 414 F C 0.961 176.835 175.800 0.123 0.000 1.155 414 F CA -0.356 57.715 58.000 0.119 0.000 1.157 414 F CB 0.428 39.504 39.000 0.126 0.000 1.252 414 F HN 0.423 nan 8.300 nan 0.000 0.550 415 D N 0.677 121.286 120.400 0.349 0.000 2.371 415 D HA 0.286 4.926 4.640 -0.000 0.000 0.242 415 D C -0.758 175.627 176.300 0.143 0.000 1.218 415 D CA -0.040 54.097 54.000 0.229 0.000 0.945 415 D CB 0.880 41.832 40.800 0.253 0.000 1.137 415 D HN 0.229 nan 8.370 nan 0.000 0.464 416 L N 0.148 121.413 121.223 0.070 0.000 2.385 416 L HA 0.291 4.631 4.340 -0.000 0.000 0.273 416 L C -0.365 176.383 176.870 -0.203 0.000 0.990 416 L CA -0.513 54.267 54.840 -0.099 0.000 0.821 416 L CB 1.897 43.896 42.059 -0.100 0.000 1.279 416 L HN 0.212 nan 8.230 nan 0.000 0.412 417 S N 4.962 120.320 115.700 -0.570 0.000 2.498 417 S HA 0.271 4.741 4.470 -0.000 0.000 0.281 417 S C 0.878 175.302 174.600 -0.294 0.000 1.265 417 S CA -0.144 57.732 58.200 -0.540 0.000 1.071 417 S CB -0.159 62.444 63.200 -0.995 0.000 0.894 417 S HN 0.626 nan 8.310 nan 0.000 0.491 418 I N 2.657 123.237 120.570 0.017 0.000 4.081 418 I HA 0.388 4.558 4.170 -0.000 0.000 0.333 418 I C 0.229 176.605 176.117 0.433 0.000 1.413 418 I CA -0.615 60.850 61.300 0.275 0.000 1.110 418 I CB 0.088 38.211 38.000 0.204 0.000 1.082 418 I HN 0.510 nan 8.210 nan 0.000 0.402 419 S N 0.513 116.407 115.700 0.323 0.000 2.627 419 S HA 0.758 5.228 4.470 -0.000 0.000 0.283 419 S C -0.607 174.128 174.600 0.226 0.000 1.127 419 S CA -0.851 57.548 58.200 0.332 0.000 0.863 419 S CB 2.739 66.228 63.200 0.482 0.000 1.121 419 S HN 0.179 nan 8.310 nan 0.000 0.479 420 R N 0.506 121.119 120.500 0.189 0.000 2.808 420 R HA 0.531 4.871 4.340 -0.000 0.000 0.272 420 R C -1.034 175.259 176.300 -0.012 0.000 0.995 420 R CA -0.947 55.196 56.100 0.072 0.000 0.917 420 R CB 1.116 31.428 30.300 0.020 0.000 1.217 420 R HN 0.631 nan 8.270 nan 0.000 0.471 421 K N 2.358 122.679 120.400 -0.131 0.000 2.436 421 K HA 0.022 4.342 4.320 -0.000 0.000 0.275 421 K C 1.444 177.971 176.600 -0.122 0.000 0.999 421 K CA 0.103 56.246 56.287 -0.241 0.000 0.980 421 K CB 0.638 33.015 32.500 -0.206 0.000 0.919 421 K HN 0.611 nan 8.250 nan 0.000 0.484 422 R N 1.539 121.968 120.500 -0.117 0.000 2.105 422 R HA -0.186 4.154 4.340 -0.000 0.000 0.239 422 R C 0.862 177.146 176.300 -0.027 0.000 1.135 422 R CA 1.580 57.646 56.100 -0.055 0.000 0.967 422 R CB -0.188 30.082 30.300 -0.050 0.000 0.861 422 R HN 0.472 nan 8.270 nan 0.000 0.442 423 E N 1.300 121.476 120.200 -0.039 0.000 2.153 423 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 423 E C 1.963 178.558 176.600 -0.008 0.000 0.988 423 E CA 1.650 58.039 56.400 -0.018 0.000 0.811 423 E CB 0.024 29.708 29.700 -0.026 0.000 0.746 423 E HN 0.335 nan 8.360 nan 0.000 0.466 424 S N -0.007 115.681 115.700 -0.019 0.000 2.447 424 S HA -0.085 4.385 4.470 -0.000 0.000 0.233 424 S C 1.699 176.308 174.600 0.015 0.000 1.006 424 S CA 1.101 59.295 58.200 -0.011 0.000 0.957 424 S CB 0.063 63.239 63.200 -0.038 0.000 0.773 424 S HN 0.323 nan 8.310 nan 0.000 0.507 425 V N -1.638 118.294 119.914 0.031 0.000 3.271 425 V HA 0.412 4.532 4.120 -0.000 0.000 0.327 425 V C 0.306 176.467 176.094 0.113 0.000 1.389 425 V CA -0.327 62.020 62.300 0.078 0.000 1.156 425 V CB -1.083 30.792 31.823 0.086 0.000 1.103 425 V HN 0.425 nan 8.190 nan 0.000 0.453 426 M N 1.040 120.683 119.600 0.072 0.000 2.393 426 M HA -0.257 4.223 4.480 -0.000 0.000 0.201 426 M C 0.575 176.949 176.300 0.125 0.000 0.403 426 M CA 1.028 56.372 55.300 0.073 0.000 0.471 426 M CB -2.282 30.350 32.600 0.052 0.000 1.669 426 M HN 0.700 nan 8.290 nan 0.000 0.864 427 N N -1.584 117.180 118.700 0.106 0.000 2.714 427 N HA -0.216 4.524 4.740 -0.000 0.000 0.250 427 N C -0.555 175.093 175.510 0.229 0.000 1.117 427 N CA 1.639 54.756 53.050 0.112 0.000 0.719 427 N CB -0.919 37.623 38.487 0.092 0.000 1.081 427 N HN 0.889 nan 8.380 nan 0.000 0.557 428 W N 1.128 122.430 121.300 0.004 0.000 1.788 428 W HA 0.392 5.052 4.660 -0.000 0.000 0.318 428 W C -0.754 175.801 176.519 0.059 0.000 0.785 428 W CA -0.062 57.314 57.345 0.053 0.000 2.625 428 W CB 0.323 29.826 29.460 0.071 0.000 2.210 428 W HN -0.149 nan 8.180 nan 0.000 0.591 429 S N 0.507 116.039 115.700 -0.280 0.000 2.638 429 S HA 0.471 4.941 4.470 -0.000 0.000 0.274 429 S C -0.493 173.741 174.600 -0.610 0.000 1.157 429 S CA -0.676 57.203 58.200 -0.533 0.000 0.826 429 S CB 1.903 64.979 63.200 -0.206 0.000 1.139 429 S HN 0.138 nan 8.310 nan 0.000 0.474 430 I N 2.977 123.134 120.570 -0.687 0.000 2.533 430 I HA 0.200 4.369 4.170 -0.000 0.000 0.284 430 I C -2.314 173.599 176.117 -0.340 0.000 1.109 430 I CA -1.615 59.399 61.300 -0.477 0.000 1.412 430 I CB 0.289 38.049 38.000 -0.400 0.000 1.396 430 I HN 0.277 nan 8.210 nan 0.000 0.543 431 P HA 0.041 nan 4.420 nan 0.000 0.271 431 P C -0.429 176.636 177.300 -0.391 0.000 1.216 431 P CA -0.262 62.681 63.100 -0.263 0.000 0.776 431 P CB 0.498 32.080 31.700 -0.196 0.000 0.881 432 V N 6.172 125.799 119.914 -0.479 0.000 2.493 432 V HA 0.051 4.171 4.120 -0.000 0.000 0.292 432 V C -1.672 174.061 176.094 -0.601 0.000 1.016 432 V CA -0.953 60.832 62.300 -0.859 0.000 1.097 432 V CB -0.151 31.129 31.823 -0.904 0.000 0.947 432 V HN 0.586 nan 8.190 nan 0.000 0.479 433 P HA 0.185 nan 4.420 nan 0.000 0.267 433 P C 0.908 178.070 177.300 -0.230 0.000 1.209 433 P CA 1.078 63.987 63.100 -0.318 0.000 0.763 433 P CB 0.903 32.466 31.700 -0.229 0.000 0.816 434 G N 2.282 110.998 108.800 -0.139 0.000 2.225 434 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.254 434 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.254 434 G C 0.001 174.874 174.900 -0.046 0.000 0.988 434 G CA 0.299 45.354 45.100 -0.074 0.000 0.625 434 G HN 0.643 nan 8.290 nan 0.000 0.527 435 D N 0.482 120.837 120.400 -0.076 0.000 2.586 435 D HA 0.300 4.940 4.640 -0.000 0.000 0.254 435 D C 1.560 177.869 176.300 0.015 0.000 1.248 435 D CA 0.164 54.177 54.000 0.022 0.000 0.843 435 D CB 0.178 41.058 40.800 0.132 0.000 1.332 435 D HN 0.257 nan 8.370 nan 0.000 0.523 436 E N 1.935 122.128 120.200 -0.012 0.000 2.401 436 E HA -0.171 4.178 4.350 -0.000 0.000 0.199 436 E C 0.973 177.569 176.600 -0.008 0.000 1.023 436 E CA 0.447 56.827 56.400 -0.033 0.000 0.859 436 E CB -0.111 29.567 29.700 -0.037 0.000 0.780 436 E HN 0.463 nan 8.360 nan 0.000 0.523 437 R N -0.119 120.406 120.500 0.042 0.000 2.189 437 R HA 0.048 4.387 4.340 -0.000 0.000 0.223 437 R C 0.836 177.080 176.300 -0.093 0.000 1.092 437 R CA 0.788 56.882 56.100 -0.009 0.000 0.989 437 R CB -0.143 30.166 30.300 0.015 0.000 0.876 437 R HN 0.327 nan 8.270 nan 0.000 0.457 438 H N -1.242 117.823 119.070 -0.009 0.000 2.533 438 H HA 0.308 4.864 4.556 -0.000 0.000 0.343 438 H C -0.597 174.667 175.328 -0.107 0.000 1.160 438 H CA -0.826 55.217 56.048 -0.009 0.000 1.218 438 H CB 1.872 31.705 29.762 0.118 0.000 1.566 438 H HN 0.016 nan 8.280 nan 0.000 0.522 439 C N 2.777 122.087 119.300 0.018 0.000 2.493 439 C HA 0.394 4.853 4.460 -0.000 0.000 0.326 439 C C 0.723 175.673 174.990 -0.066 0.000 1.200 439 C CA -0.733 58.236 59.018 -0.082 0.000 1.739 439 C CB 0.740 28.439 27.740 -0.068 0.000 2.300 439 C HN 0.612 nan 8.230 nan 0.000 0.500 440 I N 3.292 123.765 120.570 -0.162 0.000 2.533 440 I HA 0.040 4.210 4.170 -0.000 0.000 0.284 440 I C 0.170 176.371 176.117 0.141 0.000 1.109 440 I CA -0.128 61.141 61.300 -0.052 0.000 1.412 440 I CB 0.098 38.016 38.000 -0.137 0.000 1.396 440 I HN 0.588 nan 8.210 nan 0.000 0.543 441 Y N 6.937 127.321 120.300 0.139 0.000 2.944 441 Y HA -0.135 4.415 4.550 -0.000 0.000 0.340 441 Y C 1.103 177.116 175.900 0.189 0.000 1.275 441 Y CA 0.380 58.609 58.100 0.214 0.000 1.590 441 Y CB 0.510 39.163 38.460 0.323 0.000 1.218 441 Y HN 0.433 nan 8.280 nan 0.000 0.576 442 V N 7.786 127.821 119.914 0.200 0.000 2.453 442 V HA -0.316 3.803 4.120 -0.000 0.000 0.252 442 V C 1.609 177.525 176.094 -0.295 0.000 1.068 442 V CA 2.406 64.677 62.300 -0.049 0.000 1.070 442 V CB -0.605 31.213 31.823 -0.008 0.000 0.664 442 V HN 0.921 nan 8.190 nan 0.000 0.461 443 W N -1.117 119.794 121.300 -0.649 0.000 2.436 443 W HA -0.010 4.650 4.660 -0.000 0.000 0.284 443 W C 2.156 178.552 176.519 -0.205 0.000 1.225 443 W CA 0.973 58.001 57.345 -0.528 0.000 1.271 443 W CB -0.211 28.854 29.460 -0.659 0.000 1.114 443 W HN 0.263 nan 8.180 nan 0.000 0.559 444 L N 0.977 122.246 121.223 0.076 0.000 2.027 444 L HA -0.210 4.130 4.340 -0.000 0.000 0.206 444 L C 2.090 179.038 176.870 0.129 0.000 1.074 444 L CA 2.573 57.463 54.840 0.084 0.000 0.745 444 L CB -1.437 40.571 42.059 -0.084 0.000 0.898 444 L HN -0.024 nan 8.230 nan 0.000 0.433 445 D N -0.294 120.141 120.400 0.058 0.000 2.126 445 D HA -0.248 4.391 4.640 -0.000 0.000 0.190 445 D C 1.956 178.345 176.300 0.149 0.000 1.001 445 D CA 2.010 56.064 54.000 0.089 0.000 0.841 445 D CB -0.189 40.647 40.800 0.061 0.000 0.949 445 D HN 0.437 nan 8.370 nan 0.000 0.446 446 A N 0.151 122.925 122.820 -0.078 0.000 1.873 446 A HA -0.018 4.302 4.320 -0.000 0.000 0.215 446 A C 2.702 180.038 177.584 -0.413 0.000 1.186 446 A CA 1.243 53.087 52.037 -0.323 0.000 0.616 446 A CB -0.930 17.680 19.000 -0.649 0.000 0.823 446 A HN 0.379 nan 8.150 nan 0.000 0.442 447 L N -1.953 119.076 121.223 -0.323 0.000 2.079 447 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 447 L C 2.106 178.455 176.870 -0.869 0.000 1.081 447 L CA 1.227 55.636 54.840 -0.718 0.000 0.752 447 L CB -0.436 41.377 42.059 -0.409 0.000 0.896 447 L HN 0.399 nan 8.230 nan 0.000 0.433 448 F N 0.472 120.319 119.950 -0.172 0.000 2.802 448 F HA -0.096 4.431 4.527 -0.001 0.000 0.300 448 F C 2.024 177.960 175.800 0.227 0.000 1.168 448 F CA 0.719 58.819 58.000 0.167 0.000 1.433 448 F CB -0.774 38.352 39.000 0.211 0.000 1.115 448 F HN 0.335 nan 8.300 nan 0.000 0.582 449 N N -0.239 118.516 118.700 0.092 0.000 2.137 449 N HA -0.312 4.428 4.740 -0.000 0.000 0.190 449 N C 1.498 177.109 175.510 0.169 0.000 1.017 449 N CA 1.926 54.963 53.050 -0.021 0.000 0.859 449 N CB -0.838 37.368 38.487 -0.468 0.000 1.002 449 N HN 0.216 nan 8.380 nan 0.000 0.428 450 Y N -1.089 119.379 120.300 0.280 0.000 2.224 450 Y HA -0.099 4.451 4.550 -0.001 0.000 0.289 450 Y C 2.159 178.588 175.900 0.881 0.000 1.146 450 Y CA 0.828 59.270 58.100 0.571 0.000 1.182 450 Y CB -1.111 37.679 38.460 0.550 0.000 0.983 450 Y HN 0.159 nan 8.280 nan 0.000 0.524 451 Y N 0.727 121.464 120.300 0.728 0.000 2.220 451 Y HA -0.167 4.383 4.550 0.000 0.000 0.291 451 Y C 2.412 178.469 175.900 0.261 0.000 1.129 451 Y CA 1.669 59.980 58.100 0.351 0.000 1.161 451 Y CB -0.699 37.846 38.460 0.141 0.000 0.997 451 Y HN 0.072 nan 8.280 nan 0.000 0.522 452 T N -0.351 114.383 114.554 0.300 0.000 2.684 452 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 452 T C 2.090 176.882 174.700 0.154 0.000 1.036 452 T CA 1.623 63.831 62.100 0.179 0.000 1.148 452 T CB -1.080 68.021 68.868 0.389 0.000 0.863 452 T HN 0.559 nan 8.240 nan 0.000 0.436 453 G N 1.182 110.205 108.800 0.371 0.000 2.446 453 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.217 453 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.217 453 G C 1.842 176.776 174.900 0.056 0.000 1.168 453 G CA 0.930 46.295 45.100 0.443 0.000 0.771 453 G HN 0.600 nan 8.290 nan 0.000 0.551 454 A N 0.205 123.054 122.820 0.048 0.000 2.024 454 A HA 0.124 4.444 4.320 -0.000 0.000 0.220 454 A C 2.255 179.609 177.584 -0.383 0.000 1.164 454 A CA 1.215 53.070 52.037 -0.304 0.000 0.643 454 A CB -0.247 18.841 19.000 0.147 0.000 0.806 454 A HN 0.393 nan 8.150 nan 0.000 0.451 455 L N -0.859 120.151 121.223 -0.356 0.000 2.585 455 L HA 0.089 4.429 4.340 -0.000 0.000 0.226 455 L C 0.223 176.917 176.870 -0.293 0.000 1.113 455 L CA -0.145 54.487 54.840 -0.347 0.000 0.876 455 L CB -0.042 41.776 42.059 -0.401 0.000 1.072 455 L HN 0.066 nan 8.230 nan 0.000 0.468 456 T N 1.593 115.948 114.554 -0.332 0.000 2.794 456 T HA 0.303 4.652 4.350 -0.000 0.000 0.296 456 T C 0.217 174.724 174.700 -0.322 0.000 0.949 456 T CA -0.097 61.807 62.100 -0.327 0.000 1.101 456 T CB 0.771 69.333 68.868 -0.511 0.000 0.905 456 T HN 0.133 nan 8.240 nan 0.000 0.516 457 R N 1.665 122.044 120.500 -0.201 0.000 2.445 457 R HA 0.602 4.942 4.340 -0.000 0.000 0.308 457 R C -0.906 175.347 176.300 -0.078 0.000 0.961 457 R CA -0.725 55.293 56.100 -0.136 0.000 0.862 457 R CB 1.899 32.142 30.300 -0.095 0.000 1.144 457 R HN 0.412 nan 8.270 nan 0.000 0.447 458 V N 3.386 123.281 119.914 -0.031 0.000 2.370 458 V HA 0.644 4.764 4.120 -0.000 0.000 0.283 458 V C 0.042 176.158 176.094 0.036 0.000 1.023 458 V CA -0.302 62.016 62.300 0.031 0.000 0.857 458 V CB 1.151 33.031 31.823 0.096 0.000 0.985 458 V HN 0.956 nan 8.190 nan 0.000 0.443 459 A N 5.112 127.952 122.820 0.035 0.000 2.251 459 A HA 0.447 4.767 4.320 -0.000 0.000 0.278 459 A C 1.407 179.013 177.584 0.038 0.000 1.206 459 A CA 0.560 52.614 52.037 0.029 0.000 0.822 459 A CB -0.023 18.991 19.000 0.023 0.000 1.187 459 A HN 0.966 nan 8.150 nan 0.000 0.504 460 T N 0.757 115.330 114.554 0.031 0.000 2.737 460 T HA -0.122 4.228 4.350 -0.000 0.000 0.265 460 T C 1.009 175.730 174.700 0.035 0.000 1.038 460 T CA 1.721 63.841 62.100 0.033 0.000 1.144 460 T CB -0.452 68.431 68.868 0.025 0.000 0.866 460 T HN 0.843 nan 8.240 nan 0.000 0.434 461 D N 0.864 121.283 120.400 0.032 0.000 2.324 461 D HA 0.218 4.858 4.640 -0.000 0.000 0.235 461 D C 1.483 177.807 176.300 0.040 0.000 1.095 461 D CA 0.561 54.580 54.000 0.032 0.000 0.871 461 D CB -0.903 39.912 40.800 0.025 0.000 0.906 461 D HN 0.493 nan 8.370 nan 0.000 0.522 462 G N 0.410 109.241 108.800 0.051 0.000 2.184 462 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.264 462 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.264 462 G C 0.556 175.500 174.900 0.074 0.000 0.975 462 G CA 0.705 45.847 45.100 0.070 0.000 0.642 462 G HN 0.791 nan 8.290 nan 0.000 0.536 463 T N -0.750 113.837 114.554 0.055 0.000 2.930 463 T HA 0.529 4.879 4.350 -0.000 0.000 0.306 463 T C -0.029 174.702 174.700 0.052 0.000 1.045 463 T CA 0.281 62.412 62.100 0.051 0.000 1.134 463 T CB 1.879 70.768 68.868 0.034 0.000 0.961 463 T HN 0.473 nan 8.240 nan 0.000 0.545 464 E N 1.315 121.549 120.200 0.057 0.000 2.212 464 E HA 0.566 4.916 4.350 -0.000 0.000 0.268 464 E C -0.333 176.277 176.600 0.018 0.000 0.902 464 E CA -1.086 55.341 56.400 0.045 0.000 0.779 464 E CB 1.983 31.740 29.700 0.095 0.000 1.172 464 E HN 0.882 nan 8.360 nan 0.000 0.409 465 T N -0.542 114.003 114.554 -0.015 0.000 2.906 465 T HA 0.568 4.918 4.350 -0.000 0.000 0.295 465 T C -0.422 174.241 174.700 -0.061 0.000 1.061 465 T CA -0.913 61.170 62.100 -0.028 0.000 1.000 465 T CB 0.784 69.635 68.868 -0.029 0.000 1.103 465 T HN 0.236 nan 8.240 nan 0.000 0.486 466 L N 2.104 123.289 121.223 -0.063 0.000 2.295 466 L HA 0.472 4.812 4.340 -0.000 0.000 0.285 466 L C -0.152 176.658 176.870 -0.099 0.000 1.035 466 L CA -1.094 53.687 54.840 -0.098 0.000 0.806 466 L CB 1.170 43.174 42.059 -0.092 0.000 1.214 466 L HN 0.689 nan 8.230 nan 0.000 0.426 467 D N 1.514 121.838 120.400 -0.126 0.000 2.378 467 D HA -0.004 4.636 4.640 -0.000 0.000 0.238 467 D C 0.990 177.226 176.300 -0.107 0.000 1.180 467 D CA 0.098 54.032 54.000 -0.109 0.000 0.895 467 D CB 0.954 41.680 40.800 -0.122 0.000 1.192 467 D HN 0.501 nan 8.370 nan 0.000 0.438 468 E N 0.061 120.216 120.200 -0.075 0.000 2.299 468 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 468 E C 0.269 176.840 176.600 -0.049 0.000 0.998 468 E CA 0.559 56.926 56.400 -0.055 0.000 0.851 468 E CB 0.188 29.867 29.700 -0.034 0.000 0.795 468 E HN 0.525 nan 8.360 nan 0.000 0.492 469 D N -0.888 119.470 120.400 -0.071 0.000 2.596 469 D HA -0.004 4.636 4.640 -0.000 0.000 0.262 469 D C 0.332 176.533 176.300 -0.165 0.000 1.210 469 D CA -0.555 53.391 54.000 -0.089 0.000 0.873 469 D CB 0.545 41.308 40.800 -0.062 0.000 1.408 469 D HN 0.019 nan 8.370 nan 0.000 0.441 470 H N -1.346 117.610 119.070 -0.190 0.000 2.529 470 H HA 0.113 4.669 4.556 0.000 0.000 0.277 470 H C 1.074 176.309 175.328 -0.155 0.000 0.999 470 H CA 1.437 57.359 56.048 -0.210 0.000 1.256 470 H CB -0.567 29.115 29.762 -0.134 0.000 1.402 470 H HN 0.442 nan 8.280 nan 0.000 0.566 471 H N 0.707 119.600 119.070 -0.294 0.000 2.353 471 H HA 0.035 4.590 4.556 -0.001 0.000 0.300 471 H C 2.432 177.734 175.328 -0.044 0.000 1.090 471 H CA 1.536 57.507 56.048 -0.128 0.000 1.327 471 H CB -0.066 29.589 29.762 -0.179 0.000 1.383 471 H HN 0.573 nan 8.280 nan 0.000 0.508 472 A N 0.797 123.642 122.820 0.042 0.000 1.877 472 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 472 A C 2.254 179.825 177.584 -0.022 0.000 1.186 472 A CA 1.418 53.458 52.037 0.005 0.000 0.620 472 A CB -0.778 18.208 19.000 -0.022 0.000 0.822 472 A HN 0.335 nan 8.150 nan 0.000 0.443 473 L N -1.450 119.734 121.223 -0.064 0.000 2.291 473 L HA -0.102 4.238 4.340 -0.000 0.000 0.214 473 L C 1.130 177.948 176.870 -0.087 0.000 1.120 473 L CA 0.867 55.636 54.840 -0.118 0.000 0.799 473 L CB -0.414 41.510 42.059 -0.224 0.000 0.925 473 L HN 0.600 nan 8.230 nan 0.000 0.446 474 N N -0.223 118.473 118.700 -0.008 0.000 2.747 474 N HA -0.222 4.518 4.740 -0.000 0.000 0.249 474 N C 0.845 176.364 175.510 0.016 0.000 1.107 474 N CA 0.735 53.815 53.050 0.050 0.000 0.707 474 N CB -0.573 37.942 38.487 0.046 0.000 1.054 474 N HN 0.317 nan 8.380 nan 0.000 0.555 475 R N -1.422 119.044 120.500 -0.056 0.000 2.142 475 R HA 0.147 4.486 4.340 -0.000 0.000 0.204 475 R C 0.737 177.040 176.300 0.006 0.000 1.059 475 R CA 0.140 56.142 56.100 -0.163 0.000 1.055 475 R CB 0.090 30.015 30.300 -0.625 0.000 0.976 475 R HN 0.340 nan 8.270 nan 0.000 0.483 476 W N 5.176 126.417 121.300 -0.098 0.000 2.210 476 W HA 0.128 4.787 4.660 -0.001 0.000 0.330 476 W C -2.384 174.116 176.519 -0.032 0.000 1.334 476 W CA -1.460 55.880 57.345 -0.008 0.000 1.227 476 W CB 0.657 30.005 29.460 -0.188 0.000 1.178 476 W HN -0.022 nan 8.180 nan 0.000 0.560 477 P HA 0.249 nan 4.420 nan 0.000 0.280 477 P C -1.016 175.940 177.300 -0.574 0.000 1.272 477 P CA -0.383 61.934 63.100 -1.305 0.000 0.819 477 P CB 0.825 31.870 31.700 -1.092 0.000 1.122 478 A N 1.346 123.727 122.820 -0.732 0.000 2.540 478 A HA 0.004 4.324 4.320 -0.000 0.000 0.239 478 A C 0.825 178.016 177.584 -0.654 0.000 1.061 478 A CA 0.315 51.852 52.037 -0.834 0.000 0.758 478 A CB -0.879 17.187 19.000 -1.557 0.000 0.991 478 A HN 0.528 nan 8.150 nan 0.000 0.502 479 D N 0.346 120.382 120.400 -0.606 0.000 2.123 479 D HA 0.101 4.741 4.640 -0.000 0.000 0.200 479 D C -0.022 176.028 176.300 -0.417 0.000 0.976 479 D CA 1.579 55.299 54.000 -0.466 0.000 0.831 479 D CB 0.081 40.529 40.800 -0.587 0.000 0.974 479 D HN 0.269 nan 8.370 nan 0.000 0.469 480 V N 0.859 120.435 119.914 -0.565 0.000 2.612 480 V HA 0.177 4.297 4.120 -0.000 0.000 0.301 480 V C -1.094 174.670 176.094 -0.551 0.000 1.059 480 V CA -0.911 61.147 62.300 -0.402 0.000 0.886 480 V CB 1.834 33.562 31.823 -0.159 0.000 1.007 480 V HN 0.181 nan 8.190 nan 0.000 0.426 481 H N 3.260 122.112 119.070 -0.363 0.000 2.594 481 H HA 0.506 5.062 4.556 -0.001 0.000 0.304 481 H C -0.420 174.699 175.328 -0.348 0.000 1.068 481 H CA -0.288 55.494 56.048 -0.444 0.000 1.308 481 H CB 1.987 31.493 29.762 -0.427 0.000 1.409 481 H HN 0.393 nan 8.280 nan 0.000 0.460 482 V N 5.358 125.148 119.914 -0.207 0.000 2.407 482 V HA 0.324 4.443 4.120 -0.000 0.000 0.278 482 V C 0.454 176.398 176.094 -0.251 0.000 1.037 482 V CA -0.518 61.655 62.300 -0.211 0.000 0.900 482 V CB 1.283 33.012 31.823 -0.157 0.000 0.983 482 V HN 0.607 nan 8.190 nan 0.000 0.459 483 V N 2.101 121.812 119.914 -0.338 0.000 3.188 483 V HA 0.999 5.119 4.120 -0.000 0.000 0.305 483 V C 0.150 175.883 176.094 -0.601 0.000 1.232 483 V CA -0.489 61.578 62.300 -0.388 0.000 1.043 483 V CB 1.691 33.202 31.823 -0.519 0.000 1.068 483 V HN 0.892 nan 8.190 nan 0.000 0.439 484 G N 0.867 109.417 108.800 -0.417 0.000 2.476 484 G HA2 0.424 4.383 3.960 -0.000 0.000 0.286 484 G HA3 0.424 4.383 3.960 -0.000 0.000 0.286 484 G C 0.488 175.291 174.900 -0.162 0.000 1.177 484 G CA -0.178 44.684 45.100 -0.396 0.000 0.870 484 G HN 1.286 nan 8.290 nan 0.000 0.528 485 K N -0.160 120.126 120.400 -0.189 0.000 2.280 485 K HA -0.131 4.189 4.320 -0.000 0.000 0.202 485 K C 1.410 178.040 176.600 0.050 0.000 1.047 485 K CA 1.690 57.875 56.287 -0.170 0.000 0.942 485 K CB -0.061 32.221 32.500 -0.363 0.000 0.739 485 K HN 0.579 nan 8.250 nan 0.000 0.457 486 D N 2.407 123.013 120.400 0.343 0.000 2.228 486 D HA -0.205 4.435 4.640 -0.000 0.000 0.203 486 D C 1.582 178.110 176.300 0.380 0.000 0.988 486 D CA 1.300 55.600 54.000 0.501 0.000 0.864 486 D CB -0.297 40.886 40.800 0.638 0.000 0.928 486 D HN 0.693 nan 8.370 nan 0.000 0.469 487 I N -2.450 118.302 120.570 0.303 0.000 3.569 487 I HA 0.246 4.415 4.170 -0.000 0.000 0.334 487 I C 1.302 177.581 176.117 0.271 0.000 1.570 487 I CA -0.627 60.918 61.300 0.409 0.000 1.082 487 I CB 0.486 38.738 38.000 0.420 0.000 1.323 487 I HN -0.205 nan 8.210 nan 0.000 0.489 488 L N 2.652 123.915 121.223 0.067 0.000 2.027 488 L HA -0.137 4.202 4.340 -0.000 0.000 0.206 488 L C 2.671 179.461 176.870 -0.134 0.000 1.074 488 L CA 2.244 57.053 54.840 -0.052 0.000 0.745 488 L CB -0.449 41.534 42.059 -0.127 0.000 0.898 488 L HN 0.533 nan 8.230 nan 0.000 0.433 489 K N -1.490 118.716 120.400 -0.324 0.000 2.097 489 K HA -0.186 4.134 4.320 -0.000 0.000 0.205 489 K C 1.994 178.099 176.600 -0.824 0.000 1.050 489 K CA 1.849 57.783 56.287 -0.589 0.000 0.938 489 K CB -0.862 31.181 32.500 -0.761 0.000 0.718 489 K HN 0.253 nan 8.250 nan 0.000 0.442 490 F N 1.578 121.137 119.950 -0.651 0.000 2.102 490 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 490 F C 2.135 177.712 175.800 -0.372 0.000 1.105 490 F CA 1.712 59.287 58.000 -0.708 0.000 1.239 490 F CB -0.684 37.684 39.000 -1.052 0.000 0.991 490 F HN 0.133 nan 8.300 nan 0.000 0.474 491 H N -1.384 117.676 119.070 -0.018 0.000 2.482 491 H HA 0.260 4.816 4.556 -0.001 0.000 0.286 491 H C 1.995 177.408 175.328 0.143 0.000 1.017 491 H CA 0.880 56.971 56.048 0.071 0.000 1.322 491 H CB -0.065 29.693 29.762 -0.006 0.000 1.426 491 H HN 0.213 nan 8.280 nan 0.000 0.546 492 A N -0.518 122.376 122.820 0.123 0.000 2.115 492 A HA 0.211 4.531 4.320 -0.000 0.000 0.211 492 A C 1.683 179.376 177.584 0.182 0.000 1.169 492 A CA 0.408 52.524 52.037 0.131 0.000 0.787 492 A CB 0.262 19.243 19.000 -0.033 0.000 0.858 492 A HN 0.283 nan 8.150 nan 0.000 0.474 493 I N -2.833 117.749 120.570 0.020 0.000 3.518 493 I HA 0.084 4.253 4.170 -0.000 0.000 0.260 493 I C 1.924 178.054 176.117 0.023 0.000 1.148 493 I CA 0.238 61.570 61.300 0.053 0.000 1.440 493 I CB -0.248 37.723 38.000 -0.050 0.000 1.485 493 I HN 0.187 nan 8.210 nan 0.000 0.456 494 Y N 0.590 120.772 120.300 -0.195 0.000 2.163 494 Y HA -0.238 4.311 4.550 -0.001 0.000 0.288 494 Y C 2.369 177.851 175.900 -0.697 0.000 1.136 494 Y CA 0.680 58.462 58.100 -0.531 0.000 1.147 494 Y CB -1.216 36.980 38.460 -0.440 0.000 0.987 494 Y HN 0.330 nan 8.280 nan 0.000 0.509 495 W N 2.492 123.609 121.300 -0.304 0.000 2.332 495 W HA -0.173 4.486 4.660 -0.001 0.000 0.321 495 W C -0.921 175.485 176.519 -0.188 0.000 1.219 495 W CA 1.302 58.525 57.345 -0.204 0.000 1.277 495 W CB -1.098 28.281 29.460 -0.135 0.000 1.161 495 W HN 0.073 nan 8.180 nan 0.000 0.476 496 P HA -0.149 nan 4.420 nan 0.000 0.217 496 P C 1.456 178.559 177.300 -0.329 0.000 1.150 496 P CA 2.918 65.795 63.100 -0.371 0.000 0.832 496 P CB -0.532 31.002 31.700 -0.278 0.000 0.787 497 A N -0.715 121.916 122.820 -0.314 0.000 1.877 497 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 497 A C 1.977 179.320 177.584 -0.401 0.000 1.186 497 A CA 1.464 53.208 52.037 -0.488 0.000 0.620 497 A CB -1.777 16.928 19.000 -0.491 0.000 0.822 497 A HN 0.019 nan 8.150 nan 0.000 0.443 498 F N 0.231 120.001 119.950 -0.301 0.000 2.126 498 F HA -0.146 4.381 4.527 -0.000 0.000 0.299 498 F C 2.164 177.920 175.800 -0.073 0.000 1.096 498 F CA 0.812 58.681 58.000 -0.219 0.000 1.255 498 F CB -1.126 37.935 39.000 0.102 0.000 0.997 498 F HN 0.096 nan 8.300 nan 0.000 0.479 499 L N -1.115 120.067 121.223 -0.068 0.000 2.093 499 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 499 L C 2.462 179.279 176.870 -0.089 0.000 1.085 499 L CA 1.171 55.897 54.840 -0.189 0.000 0.755 499 L CB -0.639 41.121 42.059 -0.498 0.000 0.904 499 L HN 0.155 nan 8.230 nan 0.000 0.435 500 M N -0.908 118.647 119.600 -0.076 0.000 2.065 500 M HA -0.245 4.235 4.480 -0.000 0.000 0.259 500 M C 2.639 179.051 176.300 0.187 0.000 1.069 500 M CA 1.948 57.286 55.300 0.063 0.000 1.110 500 M CB -0.481 32.228 32.600 0.182 0.000 1.328 500 M HN 0.168 nan 8.290 nan 0.000 0.405 501 S N 0.156 116.014 115.700 0.264 0.000 2.365 501 S HA -0.158 4.312 4.470 -0.000 0.000 0.225 501 S C 1.838 176.526 174.600 0.146 0.000 1.039 501 S CA 1.638 60.027 58.200 0.314 0.000 1.033 501 S CB -0.237 63.225 63.200 0.437 0.000 0.887 501 S HN 0.530 nan 8.310 nan 0.000 0.447 502 A N -0.015 122.854 122.820 0.083 0.000 2.235 502 A HA 0.193 4.513 4.320 -0.000 0.000 0.208 502 A C 0.569 178.143 177.584 -0.016 0.000 1.172 502 A CA 0.867 52.904 52.037 0.001 0.000 0.786 502 A CB -0.521 18.461 19.000 -0.031 0.000 0.804 502 A HN 0.700 nan 8.150 nan 0.000 0.479 503 E N -1.431 118.777 120.200 0.014 0.000 2.389 503 E HA -0.180 4.170 4.350 -0.000 0.000 0.243 503 E C -0.857 175.743 176.600 -0.000 0.000 1.154 503 E CA 0.421 56.831 56.400 0.018 0.000 0.723 503 E CB -1.918 27.802 29.700 0.033 0.000 1.261 503 E HN 0.647 nan 8.360 nan 0.000 0.390 504 L N -0.092 121.101 121.223 -0.049 0.000 2.334 504 L HA 0.542 4.882 4.340 -0.000 0.000 0.273 504 L C -2.027 174.877 176.870 0.057 0.000 1.013 504 L CA -2.465 52.343 54.840 -0.054 0.000 0.816 504 L CB 0.951 42.830 42.059 -0.300 0.000 1.278 504 L HN -0.202 nan 8.230 nan 0.000 0.431 505 P HA 0.063 nan 4.420 nan 0.000 0.266 505 P C -0.726 176.564 177.300 -0.016 0.000 1.195 505 P CA -0.280 62.882 63.100 0.104 0.000 0.768 505 P CB 0.397 32.170 31.700 0.122 0.000 0.838 506 L N 5.711 126.802 121.223 -0.220 0.000 2.439 506 L HA 0.409 4.749 4.340 -0.000 0.000 0.261 506 L C -1.898 174.761 176.870 -0.352 0.000 1.153 506 L CA -1.880 52.726 54.840 -0.389 0.000 0.808 506 L CB -0.800 40.851 42.059 -0.680 0.000 1.126 506 L HN 0.300 nan 8.230 nan 0.000 0.460 507 P HA 0.055 nan 4.420 nan 0.000 0.267 507 P C 0.209 177.426 177.300 -0.138 0.000 1.200 507 P CA -0.158 62.781 63.100 -0.268 0.000 0.772 507 P CB 0.608 32.288 31.700 -0.033 0.000 0.855 508 E N 1.437 121.520 120.200 -0.195 0.000 2.046 508 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 508 E C 0.673 177.244 176.600 -0.047 0.000 0.982 508 E CA 1.304 57.648 56.400 -0.093 0.000 0.800 508 E CB 0.149 29.787 29.700 -0.103 0.000 0.756 508 E HN 0.397 nan 8.360 nan 0.000 0.449 509 R N -0.105 120.337 120.500 -0.097 0.000 2.535 509 R HA 0.285 4.625 4.340 -0.000 0.000 0.274 509 R C -1.866 174.393 176.300 -0.068 0.000 1.090 509 R CA -0.561 55.506 56.100 -0.055 0.000 0.930 509 R CB 1.031 31.309 30.300 -0.036 0.000 1.223 509 R HN -0.021 nan 8.270 nan 0.000 0.441 510 L N 5.104 126.318 121.223 -0.015 0.000 2.287 510 L HA 0.493 4.833 4.340 -0.000 0.000 0.287 510 L C -1.345 175.470 176.870 -0.092 0.000 1.022 510 L CA -0.406 54.420 54.840 -0.023 0.000 0.814 510 L CB 1.858 43.937 42.059 0.034 0.000 1.217 510 L HN 0.414 nan 8.230 nan 0.000 0.420 511 V N 4.413 124.241 119.914 -0.144 0.000 2.350 511 V HA 0.453 4.572 4.120 -0.000 0.000 0.276 511 V C 0.129 176.048 176.094 -0.292 0.000 1.028 511 V CA -0.303 61.872 62.300 -0.209 0.000 0.860 511 V CB 1.196 32.865 31.823 -0.256 0.000 0.990 511 V HN 0.836 nan 8.190 nan 0.000 0.453 512 S N 4.713 120.243 115.700 -0.283 0.000 2.594 512 S HA 0.560 5.030 4.470 -0.000 0.000 0.322 512 S C -0.418 174.013 174.600 -0.282 0.000 1.085 512 S CA -0.723 57.281 58.200 -0.327 0.000 1.116 512 S CB 0.018 63.050 63.200 -0.281 0.000 0.979 512 S HN 0.984 nan 8.310 nan 0.000 0.465 513 H N 2.272 121.217 119.070 -0.208 0.000 2.585 513 H HA 0.863 5.418 4.556 -0.000 0.000 0.338 513 H C 0.826 176.095 175.328 -0.098 0.000 1.295 513 H CA -0.394 55.593 56.048 -0.101 0.000 1.356 513 H CB -0.004 29.722 29.762 -0.060 0.000 1.736 513 H HN 0.555 nan 8.280 nan 0.000 0.629 514 G N -1.272 107.646 108.800 0.198 0.000 2.531 514 G HA2 0.290 4.249 3.960 -0.000 0.000 0.281 514 G HA3 0.290 4.249 3.960 -0.000 0.000 0.281 514 G C -1.077 173.852 174.900 0.049 0.000 1.382 514 G CA -0.965 44.063 45.100 -0.120 0.000 1.045 514 G HN 0.508 nan 8.290 nan 0.000 0.533 515 W N -0.829 120.466 121.300 -0.009 0.000 2.632 515 W HA 0.438 5.097 4.660 -0.001 0.000 0.328 515 W C -1.167 175.232 176.519 -0.199 0.000 1.044 515 W CA -2.028 55.310 57.345 -0.012 0.000 1.225 515 W CB 0.828 30.327 29.460 0.064 0.000 1.396 515 W HN 0.413 nan 8.180 nan 0.000 0.499 516 W N 2.785 124.186 121.300 0.169 0.000 2.304 516 W HA 0.339 4.998 4.660 -0.001 0.000 0.313 516 W C 1.019 177.602 176.519 0.105 0.000 1.323 516 W CA 0.339 57.728 57.345 0.074 0.000 1.223 516 W CB 0.747 30.210 29.460 0.005 0.000 1.237 516 W HN 0.088 nan 8.180 nan 0.000 0.535 517 T N 0.411 115.177 114.554 0.353 0.000 2.940 517 T HA 0.611 4.961 4.350 -0.000 0.000 0.288 517 T C -0.984 173.840 174.700 0.206 0.000 1.045 517 T CA -1.266 60.973 62.100 0.231 0.000 1.018 517 T CB 2.258 71.262 68.868 0.226 0.000 1.151 517 T HN 0.364 nan 8.240 nan 0.000 0.529 518 K N 0.554 121.022 120.400 0.114 0.000 2.541 518 K HA 0.275 4.595 4.320 -0.000 0.000 0.250 518 K C -1.032 175.574 176.600 0.010 0.000 0.950 518 K CA -0.464 55.870 56.287 0.078 0.000 0.805 518 K CB 0.892 33.437 32.500 0.075 0.000 1.166 518 K HN 0.793 nan 8.250 nan 0.000 0.430 519 D N 4.369 124.724 120.400 -0.075 0.000 2.708 519 D HA -0.192 4.447 4.640 -0.000 0.000 0.236 519 D C -0.418 175.815 176.300 -0.113 0.000 1.146 519 D CA 1.678 55.574 54.000 -0.172 0.000 0.662 519 D CB -1.438 39.321 40.800 -0.068 0.000 1.059 519 D HN 1.021 nan 8.370 nan 0.000 0.428 520 H N -2.782 116.327 119.070 0.066 0.000 3.047 520 H HA -0.217 4.339 4.556 -0.000 0.000 0.263 520 H C 0.118 175.489 175.328 0.072 0.000 1.168 520 H CA 1.448 57.537 56.048 0.068 0.000 1.152 520 H CB -0.924 28.869 29.762 0.051 0.000 1.278 520 H HN 0.325 nan 8.280 nan 0.000 0.339 521 K N 1.412 121.891 120.400 0.131 0.000 2.292 521 K HA 0.277 4.597 4.320 -0.000 0.000 0.257 521 K C 0.084 176.700 176.600 0.026 0.000 0.940 521 K CA -0.987 55.340 56.287 0.067 0.000 0.811 521 K CB 2.177 34.687 32.500 0.017 0.000 1.120 521 K HN 0.073 nan 8.250 nan 0.000 0.428 522 K N 3.918 124.288 120.400 -0.049 0.000 2.504 522 K HA -0.060 4.260 4.320 -0.000 0.000 0.278 522 K C -0.260 176.230 176.600 -0.183 0.000 1.025 522 K CA 0.136 56.308 56.287 -0.193 0.000 1.093 522 K CB 0.185 32.256 32.500 -0.715 0.000 0.873 522 K HN 0.534 nan 8.250 nan 0.000 0.483 523 I N 3.889 124.365 120.570 -0.157 0.000 2.662 523 I HA -0.076 4.093 4.170 -0.000 0.000 0.285 523 I C -0.106 175.756 176.117 -0.425 0.000 1.161 523 I CA 0.621 61.735 61.300 -0.310 0.000 1.415 523 I CB 0.690 38.455 38.000 -0.391 0.000 1.385 523 I HN 0.554 nan 8.210 nan 0.000 0.552 524 S N 5.759 121.284 115.700 -0.293 0.000 2.572 524 S HA 0.260 4.730 4.470 -0.000 0.000 0.274 524 S C 0.467 175.147 174.600 0.134 0.000 1.150 524 S CA -0.981 57.212 58.200 -0.011 0.000 0.944 524 S CB 2.279 65.466 63.200 -0.022 0.000 1.071 524 S HN 0.531 nan 8.310 nan 0.000 0.479 525 K N 1.416 122.028 120.400 0.352 0.000 2.063 525 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 525 K C 2.093 178.799 176.600 0.176 0.000 1.048 525 K CA 1.807 58.268 56.287 0.290 0.000 0.928 525 K CB -0.233 32.443 32.500 0.292 0.000 0.713 525 K HN 0.715 nan 8.250 nan 0.000 0.442 526 S N 0.750 116.552 115.700 0.170 0.000 2.481 526 S HA -0.024 4.446 4.470 -0.000 0.000 0.231 526 S C 1.782 176.466 174.600 0.141 0.000 0.996 526 S CA 0.671 58.961 58.200 0.150 0.000 0.942 526 S CB -0.230 63.077 63.200 0.177 0.000 0.768 526 S HN 0.200 nan 8.310 nan 0.000 0.520 527 L N 0.412 121.695 121.223 0.100 0.000 2.556 527 L HA 0.383 4.723 4.340 -0.000 0.000 0.226 527 L C 1.762 178.654 176.870 0.037 0.000 1.089 527 L CA 0.275 55.146 54.840 0.053 0.000 0.864 527 L CB -0.597 41.465 42.059 0.005 0.000 1.067 527 L HN 0.499 nan 8.230 nan 0.000 0.477 528 G N 2.091 110.918 108.800 0.045 0.000 2.198 528 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.260 528 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.260 528 G C 0.230 175.136 174.900 0.011 0.000 1.025 528 G CA 0.609 45.730 45.100 0.036 0.000 0.769 528 G HN 0.596 nan 8.290 nan 0.000 0.507 529 N N -0.381 118.307 118.700 -0.019 0.000 2.380 529 N HA 0.566 5.306 4.740 -0.000 0.000 0.255 529 N C 0.300 175.763 175.510 -0.078 0.000 1.158 529 N CA 0.250 53.281 53.050 -0.031 0.000 0.878 529 N CB 0.590 39.057 38.487 -0.034 0.000 1.138 529 N HN 0.973 nan 8.380 nan 0.000 0.509 530 A N 0.581 123.342 122.820 -0.097 0.000 2.318 530 A HA 0.639 4.959 4.320 -0.000 0.000 0.324 530 A C -0.395 177.115 177.584 -0.123 0.000 1.170 530 A CA -0.910 50.991 52.037 -0.226 0.000 0.810 530 A CB 0.475 19.363 19.000 -0.186 0.000 1.198 530 A HN 0.352 nan 8.150 nan 0.000 0.484 531 F N 0.753 120.653 119.950 -0.083 0.000 2.370 531 F HA 0.541 5.068 4.527 -0.000 0.000 0.324 531 F C 0.238 176.001 175.800 -0.061 0.000 1.116 531 F CA -1.544 56.411 58.000 -0.076 0.000 1.123 531 F CB 0.492 39.423 39.000 -0.115 0.000 1.238 531 F HN 0.481 nan 8.300 nan 0.000 0.536 532 D N 3.470 123.982 120.400 0.188 0.000 2.382 532 D HA 0.106 4.746 4.640 -0.000 0.000 0.259 532 D C -1.589 174.836 176.300 0.208 0.000 1.224 532 D CA -2.195 51.864 54.000 0.099 0.000 0.894 532 D CB 1.273 42.114 40.800 0.069 0.000 1.127 532 D HN 0.322 nan 8.370 nan 0.000 0.487 533 P HA -0.092 nan 4.420 nan 0.000 0.220 533 P C 1.555 178.932 177.300 0.129 0.000 1.152 533 P CA 0.220 63.404 63.100 0.140 0.000 0.812 533 P CB 0.519 32.220 31.700 0.002 0.000 0.792 534 V N 1.164 121.117 119.914 0.065 0.000 2.379 534 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 534 V C 2.824 178.949 176.094 0.052 0.000 1.044 534 V CA 1.988 64.314 62.300 0.044 0.000 1.036 534 V CB -1.275 30.549 31.823 0.002 0.000 0.664 534 V HN 0.181 nan 8.190 nan 0.000 0.453 535 E N 0.610 120.842 120.200 0.053 0.000 2.085 535 E HA -0.333 4.017 4.350 -0.000 0.000 0.194 535 E C 2.171 178.807 176.600 0.059 0.000 0.994 535 E CA 1.817 58.242 56.400 0.042 0.000 0.801 535 E CB -0.080 29.643 29.700 0.039 0.000 0.743 535 E HN 0.451 nan 8.360 nan 0.000 0.453 536 K N 0.703 121.164 120.400 0.101 0.000 2.026 536 K HA -0.085 4.234 4.320 -0.000 0.000 0.208 536 K C 1.878 178.595 176.600 0.195 0.000 1.048 536 K CA 1.606 57.962 56.287 0.116 0.000 0.929 536 K CB -0.629 31.866 32.500 -0.007 0.000 0.713 536 K HN 0.214 nan 8.250 nan 0.000 0.439 537 A N 0.845 123.755 122.820 0.150 0.000 1.908 537 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 537 A C 1.959 179.615 177.584 0.120 0.000 1.181 537 A CA 2.034 54.160 52.037 0.148 0.000 0.627 537 A CB -0.463 18.602 19.000 0.108 0.000 0.818 537 A HN 0.396 nan 8.150 nan 0.000 0.445 538 K N -0.612 119.830 120.400 0.069 0.000 2.103 538 K HA -0.075 4.244 4.320 -0.000 0.000 0.204 538 K C 1.980 178.566 176.600 -0.023 0.000 1.052 538 K CA 1.201 57.502 56.287 0.024 0.000 0.945 538 K CB -0.135 32.367 32.500 0.003 0.000 0.722 538 K HN 0.597 nan 8.250 nan 0.000 0.443 539 E N -0.082 120.083 120.200 -0.059 0.000 2.070 539 E HA -0.176 4.174 4.350 -0.000 0.000 0.197 539 E C 1.330 177.690 176.600 -0.399 0.000 1.004 539 E CA 1.475 57.706 56.400 -0.282 0.000 0.805 539 E CB -0.017 29.435 29.700 -0.413 0.000 0.744 539 E HN 0.255 nan 8.360 nan 0.000 0.451 540 F N -1.025 118.920 119.950 -0.007 0.000 2.704 540 F HA 0.305 4.832 4.527 -0.001 0.000 0.304 540 F C 0.655 176.483 175.800 0.047 0.000 1.094 540 F CA 0.438 58.441 58.000 0.005 0.000 1.275 540 F CB 1.563 40.553 39.000 -0.017 0.000 1.073 540 F HN -0.016 nan 8.300 nan 0.000 0.586 541 G N 0.983 109.897 108.800 0.191 0.000 3.225 541 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 541 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 541 G C 0.475 175.488 174.900 0.189 0.000 1.105 541 G CA -0.568 44.634 45.100 0.170 0.000 0.831 541 G HN 0.100 nan 8.290 nan 0.000 0.578 542 I N 1.095 121.753 120.570 0.146 0.000 2.142 542 I HA -0.135 4.035 4.170 -0.000 0.000 0.240 542 I C 2.335 178.565 176.117 0.189 0.000 1.078 542 I CA 1.791 63.176 61.300 0.141 0.000 1.343 542 I CB -0.223 37.830 38.000 0.089 0.000 1.046 542 I HN 0.540 nan 8.210 nan 0.000 0.405 543 D N 0.962 121.489 120.400 0.211 0.000 2.178 543 D HA -0.070 4.570 4.640 -0.000 0.000 0.202 543 D C 2.197 178.696 176.300 0.332 0.000 0.974 543 D CA 1.237 55.400 54.000 0.272 0.000 0.841 543 D CB -0.049 40.919 40.800 0.280 0.000 0.953 543 D HN 0.299 nan 8.370 nan 0.000 0.478 544 A N 0.585 123.605 122.820 0.333 0.000 1.902 544 A HA -0.135 4.184 4.320 -0.000 0.000 0.217 544 A C 2.116 179.876 177.584 0.293 0.000 1.181 544 A CA 0.954 53.167 52.037 0.294 0.000 0.623 544 A CB -0.646 18.512 19.000 0.263 0.000 0.818 544 A HN 0.265 nan 8.150 nan 0.000 0.443 545 L N -0.116 121.267 121.223 0.266 0.000 2.017 545 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 545 L C 2.213 179.267 176.870 0.307 0.000 1.073 545 L CA 2.276 57.282 54.840 0.276 0.000 0.745 545 L CB -0.529 41.673 42.059 0.239 0.000 0.894 545 L HN 0.333 nan 8.230 nan 0.000 0.432 546 K N -1.501 119.070 120.400 0.285 0.000 2.032 546 K HA -0.260 4.060 4.320 -0.000 0.000 0.209 546 K C 2.173 178.938 176.600 0.274 0.000 1.048 546 K CA 2.042 58.497 56.287 0.281 0.000 0.927 546 K CB -0.627 32.042 32.500 0.281 0.000 0.712 546 K HN 0.380 nan 8.250 nan 0.000 0.441 547 Y N 0.906 121.311 120.300 0.176 0.000 2.128 547 Y HA -0.294 4.255 4.550 -0.001 0.000 0.284 547 Y C 2.088 178.037 175.900 0.083 0.000 1.154 547 Y CA 1.514 59.679 58.100 0.108 0.000 1.149 547 Y CB -0.532 37.962 38.460 0.058 0.000 0.976 547 Y HN 0.053 nan 8.280 nan 0.000 0.505 548 F N 0.349 120.282 119.950 -0.028 0.000 2.069 548 F HA -0.258 4.269 4.527 -0.000 0.000 0.298 548 F C 1.976 177.718 175.800 -0.097 0.000 1.113 548 F CA 1.952 59.858 58.000 -0.155 0.000 1.214 548 F CB -0.812 38.123 39.000 -0.109 0.000 0.978 548 F HN 0.072 nan 8.300 nan 0.000 0.474 549 L N -0.439 120.711 121.223 -0.120 0.000 2.043 549 L HA -0.297 4.042 4.340 -0.000 0.000 0.212 549 L C 2.505 179.453 176.870 0.131 0.000 1.075 549 L CA 1.363 56.197 54.840 -0.010 0.000 0.752 549 L CB -0.695 41.508 42.059 0.241 0.000 0.891 549 L HN 0.259 nan 8.230 nan 0.000 0.432 550 M N -1.086 118.526 119.600 0.021 0.000 2.288 550 M HA -0.091 4.389 4.480 -0.000 0.000 0.266 550 M C 2.333 178.483 176.300 -0.249 0.000 1.072 550 M CA 1.303 56.589 55.300 -0.022 0.000 1.132 550 M CB -0.916 31.692 32.600 0.014 0.000 1.386 550 M HN 0.146 nan 8.290 nan 0.000 0.432 551 R N 0.835 121.051 120.500 -0.473 0.000 2.090 551 R HA -0.052 4.288 4.340 -0.000 0.000 0.219 551 R C 1.924 177.933 176.300 -0.485 0.000 1.100 551 R CA 1.483 57.221 56.100 -0.604 0.000 0.991 551 R CB -0.396 29.257 30.300 -1.079 0.000 0.893 551 R HN 0.179 nan 8.270 nan 0.000 0.443 552 E N 0.339 120.231 120.200 -0.513 0.000 2.150 552 E HA -0.034 4.316 4.350 -0.000 0.000 0.193 552 E C -0.341 176.046 176.600 -0.355 0.000 0.985 552 E CA 0.926 57.059 56.400 -0.445 0.000 0.814 552 E CB -0.034 29.230 29.700 -0.728 0.000 0.752 552 E HN 0.321 nan 8.360 nan 0.000 0.466 553 S N 0.640 116.151 115.700 -0.315 0.000 2.462 553 S HA 0.425 4.895 4.470 -0.000 0.000 0.294 553 S C -0.251 174.160 174.600 -0.315 0.000 1.144 553 S CA -0.831 57.169 58.200 -0.333 0.000 1.088 553 S CB 1.067 64.108 63.200 -0.264 0.000 1.009 553 S HN 0.285 nan 8.310 nan 0.000 0.484 554 N N 1.040 119.553 118.700 -0.312 0.000 2.477 554 N HA 0.435 5.174 4.740 -0.000 0.000 0.284 554 N C -0.255 175.191 175.510 -0.106 0.000 1.182 554 N CA -1.078 51.775 53.050 -0.329 0.000 0.949 554 N CB -0.030 38.290 38.487 -0.278 0.000 1.204 554 N HN 0.408 nan 8.380 nan 0.000 0.526 555 F N -0.699 119.235 119.950 -0.027 0.000 2.748 555 F HA 0.125 4.652 4.527 -0.000 0.000 0.299 555 F C 1.797 177.619 175.800 0.036 0.000 1.154 555 F CA 0.363 58.385 58.000 0.036 0.000 1.446 555 F CB -0.700 38.333 39.000 0.056 0.000 1.112 555 F HN 0.576 nan 8.300 nan 0.000 0.584 556 Q N -0.590 119.333 119.800 0.205 0.000 2.204 556 Q HA -0.004 4.336 4.340 -0.000 0.000 0.198 556 Q C -0.135 175.928 176.000 0.104 0.000 0.946 556 Q CA 0.678 56.644 55.803 0.272 0.000 0.859 556 Q CB 0.180 29.065 28.738 0.245 0.000 0.946 556 Q HN 0.181 nan 8.270 nan 0.000 0.474 557 D N 1.246 121.627 120.400 -0.031 0.000 2.185 557 D HA 0.205 4.845 4.640 -0.000 0.000 0.247 557 D C -0.839 175.348 176.300 -0.188 0.000 1.027 557 D CA -0.326 53.601 54.000 -0.121 0.000 0.861 557 D CB 1.384 42.091 40.800 -0.155 0.000 1.202 557 D HN -0.076 nan 8.370 nan 0.000 0.453 558 D N 0.049 120.349 120.400 -0.166 0.000 2.313 558 D HA 0.593 5.233 4.640 -0.000 0.000 0.247 558 D C 0.450 176.646 176.300 -0.173 0.000 1.094 558 D CA -0.171 53.737 54.000 -0.154 0.000 0.925 558 D CB 1.585 42.380 40.800 -0.009 0.000 1.188 558 D HN 0.429 nan 8.370 nan 0.000 0.430 559 G N 0.401 109.079 108.800 -0.203 0.000 2.732 559 G HA2 0.258 4.218 3.960 -0.000 0.000 0.296 559 G HA3 0.258 4.218 3.960 -0.000 0.000 0.296 559 G C -1.303 173.652 174.900 0.091 0.000 1.448 559 G CA -0.767 44.275 45.100 -0.096 0.000 0.911 559 G HN 0.174 nan 8.290 nan 0.000 0.528 560 D N 0.306 120.830 120.400 0.206 0.000 2.424 560 D HA 0.128 4.768 4.640 -0.000 0.000 0.244 560 D C -0.098 176.481 176.300 0.465 0.000 1.134 560 D CA 0.465 54.640 54.000 0.291 0.000 0.881 560 D CB 1.146 42.037 40.800 0.153 0.000 1.191 560 D HN 0.331 nan 8.370 nan 0.000 0.445 561 Y N 1.569 122.151 120.300 0.469 0.000 2.526 561 Y HA 0.069 4.618 4.550 -0.000 0.000 0.330 561 Y C 0.223 176.216 175.900 0.156 0.000 1.156 561 Y CA 0.484 58.797 58.100 0.355 0.000 1.419 561 Y CB 0.575 39.175 38.460 0.233 0.000 1.250 561 Y HN 0.133 nan 8.280 nan 0.000 0.540 562 S N 5.040 120.528 115.700 -0.354 0.000 2.647 562 S HA 0.244 4.714 4.470 -0.000 0.000 0.300 562 S C 0.163 174.396 174.600 -0.611 0.000 1.129 562 S CA -0.927 57.111 58.200 -0.271 0.000 1.029 562 S CB 0.754 63.883 63.200 -0.119 0.000 1.007 562 S HN 0.853 nan 8.310 nan 0.000 0.484 563 D N 3.581 123.746 120.400 -0.391 0.000 2.123 563 D HA -0.121 4.518 4.640 -0.000 0.000 0.196 563 D C 1.731 177.751 176.300 -0.466 0.000 0.992 563 D CA 1.166 54.846 54.000 -0.533 0.000 0.833 563 D CB 0.046 40.672 40.800 -0.290 0.000 0.954 563 D HN 0.712 nan 8.370 nan 0.000 0.455 564 K N 0.560 120.796 120.400 -0.273 0.000 2.032 564 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 564 K C 1.633 178.100 176.600 -0.222 0.000 1.048 564 K CA 1.206 57.382 56.287 -0.186 0.000 0.927 564 K CB 0.109 32.546 32.500 -0.105 0.000 0.712 564 K HN -0.036 nan 8.250 nan 0.000 0.441 565 N N 0.669 119.217 118.700 -0.254 0.000 2.244 565 N HA -0.158 4.581 4.740 -0.000 0.000 0.183 565 N C 1.655 176.952 175.510 -0.355 0.000 1.016 565 N CA 1.026 53.973 53.050 -0.172 0.000 0.866 565 N CB -0.219 38.281 38.487 0.022 0.000 0.980 565 N HN 0.301 nan 8.380 nan 0.000 0.430 566 M N 0.656 119.674 119.600 -0.971 0.000 2.132 566 M HA -0.044 4.436 4.480 -0.000 0.000 0.263 566 M C 1.535 177.532 176.300 -0.504 0.000 1.065 566 M CA 1.089 55.618 55.300 -1.285 0.000 1.122 566 M CB -0.219 31.322 32.600 -1.764 0.000 1.365 566 M HN -0.122 nan 8.290 nan 0.000 0.411 567 V N 1.010 120.691 119.914 -0.388 0.000 2.427 567 V HA -0.195 3.924 4.120 -0.000 0.000 0.248 567 V C 2.756 178.798 176.094 -0.087 0.000 1.051 567 V CA 1.605 63.816 62.300 -0.148 0.000 1.048 567 V CB -1.428 30.358 31.823 -0.062 0.000 0.666 567 V HN 0.596 nan 8.190 nan 0.000 0.456 568 A N 0.011 122.771 122.820 -0.101 0.000 1.908 568 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 568 A C 2.396 179.963 177.584 -0.028 0.000 1.181 568 A CA 1.787 53.793 52.037 -0.051 0.000 0.627 568 A CB -0.450 18.522 19.000 -0.047 0.000 0.818 568 A HN 0.503 nan 8.150 nan 0.000 0.445 569 R N -1.232 119.262 120.500 -0.010 0.000 2.073 569 R HA -0.047 4.293 4.340 -0.000 0.000 0.229 569 R C 2.181 178.479 176.300 -0.003 0.000 1.120 569 R CA 1.266 57.395 56.100 0.048 0.000 0.967 569 R CB -0.615 29.794 30.300 0.182 0.000 0.862 569 R HN 0.532 nan 8.270 nan 0.000 0.436 570 L N 1.725 122.935 121.223 -0.022 0.000 1.989 570 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 570 L C 1.469 178.293 176.870 -0.077 0.000 1.071 570 L CA 1.924 56.721 54.840 -0.071 0.000 0.749 570 L CB -0.580 41.481 42.059 0.004 0.000 0.890 570 L HN 0.037 nan 8.230 nan 0.000 0.431 571 N N 0.218 118.901 118.700 -0.029 0.000 2.080 571 N HA -0.069 4.671 4.740 -0.000 0.000 0.189 571 N C 1.778 177.278 175.510 -0.016 0.000 1.036 571 N CA 1.611 54.655 53.050 -0.010 0.000 0.846 571 N CB -1.011 37.477 38.487 0.001 0.000 1.015 571 N HN 0.538 nan 8.380 nan 0.000 0.423 572 G N 0.327 109.115 108.800 -0.019 0.000 2.430 572 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.216 572 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.216 572 G C 1.378 176.278 174.900 0.000 0.000 1.146 572 G CA 0.429 45.526 45.100 -0.005 0.000 0.793 572 G HN 0.325 nan 8.290 nan 0.000 0.537 573 E N -0.417 119.759 120.200 -0.040 0.000 2.207 573 E HA 0.215 4.565 4.350 -0.000 0.000 0.197 573 E C 2.511 179.092 176.600 -0.032 0.000 0.914 573 E CA -0.251 56.134 56.400 -0.025 0.000 0.914 573 E CB 0.009 29.574 29.700 -0.226 0.000 0.893 573 E HN 0.234 nan 8.360 nan 0.000 0.479 574 L N 0.962 122.003 121.223 -0.303 0.000 2.072 574 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 574 L C 2.521 179.172 176.870 -0.364 0.000 1.079 574 L CA 1.199 55.666 54.840 -0.622 0.000 0.752 574 L CB -0.354 40.967 42.059 -1.230 0.000 0.906 574 L HN 0.130 nan 8.230 nan 0.000 0.436 575 A N -0.456 122.280 122.820 -0.141 0.000 1.871 575 A HA -0.123 4.197 4.320 -0.000 0.000 0.211 575 A C 1.879 179.495 177.584 0.054 0.000 1.207 575 A CA 1.186 53.256 52.037 0.056 0.000 0.620 575 A CB -0.376 18.669 19.000 0.076 0.000 0.860 575 A HN 0.252 nan 8.150 nan 0.000 0.450 576 D N -0.797 119.620 120.400 0.028 0.000 2.224 576 D HA -0.020 4.620 4.640 -0.000 0.000 0.205 576 D C 1.647 177.977 176.300 0.049 0.000 0.965 576 D CA 1.684 55.706 54.000 0.036 0.000 0.852 576 D CB 0.035 40.852 40.800 0.028 0.000 0.947 576 D HN 0.428 nan 8.370 nan 0.000 0.494 577 T N 0.037 114.630 114.554 0.064 0.000 3.234 577 T HA 0.044 4.393 4.350 -0.000 0.000 0.235 577 T C 1.648 176.365 174.700 0.027 0.000 0.971 577 T CA -0.222 61.917 62.100 0.066 0.000 1.292 577 T CB -0.215 68.732 68.868 0.131 0.000 0.994 577 T HN -0.053 nan 8.240 nan 0.000 0.412 578 L N 1.891 123.126 121.223 0.021 0.000 1.994 578 L HA 0.197 4.536 4.340 -0.000 0.000 0.208 578 L C 2.501 179.430 176.870 0.098 0.000 1.071 578 L CA 2.330 57.166 54.840 -0.006 0.000 0.745 578 L CB -1.349 40.708 42.059 -0.002 0.000 0.892 578 L HN 0.364 nan 8.230 nan 0.000 0.431 579 G N -0.705 108.208 108.800 0.189 0.000 2.421 579 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.216 579 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.216 579 G C 1.541 176.506 174.900 0.108 0.000 1.171 579 G CA 0.838 46.072 45.100 0.224 0.000 0.775 579 G HN 0.592 nan 8.290 nan 0.000 0.543 580 N N 0.002 118.750 118.700 0.081 0.000 2.061 580 N HA -0.145 4.595 4.740 -0.000 0.000 0.193 580 N C 2.249 177.785 175.510 0.042 0.000 1.030 580 N CA 1.373 54.453 53.050 0.050 0.000 0.856 580 N CB -0.144 38.368 38.487 0.042 0.000 1.023 580 N HN 0.236 nan 8.380 nan 0.000 0.424 581 L N 1.257 122.504 121.223 0.039 0.000 2.083 581 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 581 L C 2.230 179.111 176.870 0.018 0.000 1.083 581 L CA 1.196 56.053 54.840 0.028 0.000 0.752 581 L CB -0.550 41.513 42.059 0.007 0.000 0.899 581 L HN 0.010 nan 8.230 nan 0.000 0.433 582 V N -1.275 118.653 119.914 0.023 0.000 2.307 582 V HA -0.245 3.874 4.120 -0.000 0.000 0.245 582 V C 2.541 178.638 176.094 0.004 0.000 1.045 582 V CA 1.800 64.107 62.300 0.010 0.000 1.024 582 V CB -0.915 30.924 31.823 0.027 0.000 0.651 582 V HN 0.464 nan 8.190 nan 0.000 0.449 583 S N -0.358 115.352 115.700 0.016 0.000 2.370 583 S HA -0.238 4.231 4.470 -0.000 0.000 0.226 583 S C 2.117 176.723 174.600 0.011 0.000 1.033 583 S CA 1.760 59.966 58.200 0.010 0.000 1.011 583 S CB -0.346 62.860 63.200 0.011 0.000 0.852 583 S HN 0.525 nan 8.310 nan 0.000 0.457 584 R N 0.210 120.725 120.500 0.024 0.000 2.080 584 R HA -0.082 4.258 4.340 -0.000 0.000 0.236 584 R C 2.497 178.815 176.300 0.030 0.000 1.137 584 R CA 1.725 57.855 56.100 0.049 0.000 0.943 584 R CB -0.750 29.599 30.300 0.081 0.000 0.846 584 R HN 0.393 nan 8.270 nan 0.000 0.431 585 C N -0.103 119.193 119.300 -0.007 0.000 2.432 585 C HA -0.021 4.439 4.460 -0.000 0.000 0.282 585 C C 2.395 177.341 174.990 -0.073 0.000 1.388 585 C CA 0.629 59.611 59.018 -0.061 0.000 1.777 585 C CB -0.600 27.065 27.740 -0.124 0.000 1.882 585 C HN 0.515 nan 8.230 nan 0.000 0.520 586 V N -1.812 118.078 119.914 -0.041 0.000 3.528 586 V HA 0.505 4.625 4.120 -0.000 0.000 0.294 586 V C 1.023 177.113 176.094 -0.008 0.000 1.404 586 V CA 0.273 62.553 62.300 -0.032 0.000 1.065 586 V CB -1.024 30.784 31.823 -0.024 0.000 0.904 586 V HN 0.273 nan 8.190 nan 0.000 0.435 587 A N 2.226 125.049 122.820 0.004 0.000 2.566 587 A HA 0.337 4.656 4.320 -0.000 0.000 0.245 587 A C -0.712 176.883 177.584 0.017 0.000 1.056 587 A CA -0.103 51.942 52.037 0.013 0.000 0.757 587 A CB -0.252 18.763 19.000 0.025 0.000 0.979 587 A HN 0.441 nan 8.150 nan 0.000 0.508 588 P HA -0.127 nan 4.420 nan 0.000 0.218 588 P C 0.856 178.172 177.300 0.026 0.000 1.148 588 P CA 1.314 64.424 63.100 0.018 0.000 0.822 588 P CB 0.200 31.908 31.700 0.014 0.000 0.784 589 K N -1.729 118.690 120.400 0.031 0.000 2.444 589 K HA 0.181 4.500 4.320 -0.000 0.000 0.193 589 K C 1.571 178.214 176.600 0.072 0.000 1.024 589 K CA 0.392 56.706 56.287 0.045 0.000 1.077 589 K CB -0.247 32.277 32.500 0.040 0.000 0.833 589 K HN 0.201 nan 8.250 nan 0.000 0.517 590 I N -1.101 119.511 120.570 0.069 0.000 3.345 590 I HA 0.012 4.181 4.170 -0.000 0.000 0.258 590 I C 0.498 176.643 176.117 0.046 0.000 1.134 590 I CA -0.225 61.126 61.300 0.084 0.000 1.457 590 I CB 0.157 38.224 38.000 0.113 0.000 1.425 590 I HN -0.046 nan 8.210 nan 0.000 0.461 591 N N 2.187 120.904 118.700 0.028 0.000 2.895 591 N HA 0.076 4.816 4.740 -0.000 0.000 0.277 591 N C 0.903 176.426 175.510 0.022 0.000 1.185 591 N CA 0.100 53.158 53.050 0.013 0.000 1.106 591 N CB 0.835 39.313 38.487 -0.014 0.000 1.422 591 N HN -0.004 nan 8.380 nan 0.000 0.521 592 V N 2.577 122.508 119.914 0.028 0.000 2.392 592 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 592 V C 1.305 177.416 176.094 0.028 0.000 1.059 592 V CA 1.699 64.016 62.300 0.028 0.000 1.051 592 V CB -0.360 31.480 31.823 0.028 0.000 0.658 592 V HN 0.608 nan 8.190 nan 0.000 0.455 593 N N -0.327 118.393 118.700 0.033 0.000 2.280 593 N HA 0.286 5.026 4.740 -0.000 0.000 0.192 593 N C 1.056 176.593 175.510 0.046 0.000 1.109 593 N CA 0.555 53.628 53.050 0.039 0.000 0.855 593 N CB 0.581 39.094 38.487 0.043 0.000 0.974 593 N HN 0.512 nan 8.380 nan 0.000 0.482 594 G N 1.885 110.709 108.800 0.040 0.000 2.350 594 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.298 594 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.298 594 G C -0.113 174.834 174.900 0.078 0.000 1.037 594 G CA 1.084 46.211 45.100 0.044 0.000 1.074 594 G HN 0.405 nan 8.290 nan 0.000 0.511 595 M N -3.459 116.194 119.600 0.089 0.000 2.813 595 M HA 0.720 5.200 4.480 -0.000 0.000 0.270 595 M C -1.334 175.083 176.300 0.196 0.000 1.267 595 M CA -1.494 53.918 55.300 0.186 0.000 0.822 595 M CB 1.057 33.761 32.600 0.174 0.000 1.671 595 M HN -0.025 nan 8.290 nan 0.000 0.468 596 W N 2.251 123.608 121.300 0.094 0.000 2.437 596 W HA 0.526 5.186 4.660 0.000 0.000 0.312 596 W C -2.514 174.106 176.519 0.168 0.000 1.242 596 W CA -1.053 56.388 57.345 0.160 0.000 1.340 596 W CB -0.168 29.407 29.460 0.193 0.000 1.327 596 W HN 0.320 nan 8.180 nan 0.000 0.476 597 P HA 0.077 nan 4.420 nan 0.000 0.276 597 P C -0.495 176.898 177.300 0.156 0.000 1.252 597 P CA -0.589 62.633 63.100 0.203 0.000 0.802 597 P CB 0.877 32.663 31.700 0.143 0.000 1.035 598 E N 2.102 122.323 120.200 0.035 0.000 2.316 598 E HA 0.207 4.556 4.350 -0.000 0.000 0.275 598 E C -2.040 174.512 176.600 -0.079 0.000 1.029 598 E CA -2.167 54.182 56.400 -0.085 0.000 0.871 598 E CB -0.267 29.393 29.700 -0.066 0.000 1.022 598 E HN 0.280 nan 8.360 nan 0.000 0.418 599 P HA 0.191 nan 4.420 nan 0.000 0.278 599 P C -1.080 176.109 177.300 -0.186 0.000 1.238 599 P CA -0.337 62.700 63.100 -0.105 0.000 0.794 599 P CB 1.637 33.303 31.700 -0.057 0.000 0.955 600 A N 2.339 125.046 122.820 -0.190 0.000 3.179 600 A HA 0.347 4.667 4.320 -0.000 0.000 0.213 600 A C 0.297 177.679 177.584 -0.336 0.000 1.752 600 A CA -0.344 51.577 52.037 -0.193 0.000 0.857 600 A CB -0.263 18.673 19.000 -0.107 0.000 1.798 600 A HN 0.492 nan 8.150 nan 0.000 0.606 601 E N -0.028 120.041 120.200 -0.218 0.000 2.392 601 E HA 0.172 4.522 4.350 -0.000 0.000 0.264 601 E C -1.394 175.083 176.600 -0.206 0.000 1.024 601 E CA 0.546 56.823 56.400 -0.204 0.000 0.903 601 E CB 0.213 29.872 29.700 -0.068 0.000 0.963 601 E HN 0.381 nan 8.360 nan 0.000 0.432 602 Y N 0.738 121.071 120.300 0.056 0.000 2.316 602 Y HA 0.039 4.589 4.550 -0.000 0.000 0.331 602 Y C 1.321 177.244 175.900 0.039 0.000 1.083 602 Y CA -0.444 57.690 58.100 0.056 0.000 1.206 602 Y CB 0.804 39.292 38.460 0.047 0.000 1.195 602 Y HN 0.316 nan 8.280 nan 0.000 0.497 603 S N 1.381 117.204 115.700 0.204 0.000 2.655 603 S HA 0.167 4.637 4.470 -0.000 0.000 0.265 603 S C 0.956 175.618 174.600 0.104 0.000 1.240 603 S CA -0.717 57.557 58.200 0.123 0.000 0.986 603 S CB 0.969 64.229 63.200 0.100 0.000 0.985 603 S HN 0.655 nan 8.310 nan 0.000 0.562 604 E N 0.767 121.007 120.200 0.066 0.000 2.110 604 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 604 E C 2.173 178.794 176.600 0.034 0.000 0.988 604 E CA 1.247 57.671 56.400 0.040 0.000 0.804 604 E CB -0.769 28.948 29.700 0.028 0.000 0.745 604 E HN 0.651 nan 8.360 nan 0.000 0.458 605 S N 0.824 116.561 115.700 0.061 0.000 2.356 605 S HA -0.156 4.313 4.470 -0.000 0.000 0.223 605 S C 1.437 176.085 174.600 0.080 0.000 1.032 605 S CA 1.379 59.628 58.200 0.081 0.000 1.005 605 S CB -0.101 63.170 63.200 0.119 0.000 0.867 605 S HN 0.122 nan 8.310 nan 0.000 0.449 606 D N 1.198 121.674 120.400 0.127 0.000 2.106 606 D HA -0.116 4.524 4.640 -0.000 0.000 0.191 606 D C 2.021 178.221 176.300 -0.167 0.000 0.997 606 D CA 1.274 55.301 54.000 0.044 0.000 0.834 606 D CB -0.343 40.591 40.800 0.223 0.000 0.956 606 D HN 0.474 nan 8.370 nan 0.000 0.448 607 K N -0.039 120.294 120.400 -0.113 0.000 2.097 607 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 607 K C 2.200 178.698 176.600 -0.170 0.000 1.049 607 K CA 1.149 57.327 56.287 -0.181 0.000 0.933 607 K CB -0.127 32.322 32.500 -0.085 0.000 0.717 607 K HN 0.069 nan 8.250 nan 0.000 0.442 608 T N 1.841 116.328 114.554 -0.112 0.000 2.708 608 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 608 T C 1.682 176.296 174.700 -0.143 0.000 1.037 608 T CA 1.030 63.072 62.100 -0.096 0.000 1.146 608 T CB -0.196 68.644 68.868 -0.048 0.000 0.865 608 T HN 0.079 nan 8.240 nan 0.000 0.435 609 L N 1.195 122.297 121.223 -0.201 0.000 2.017 609 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 609 L C 2.161 178.839 176.870 -0.320 0.000 1.073 609 L CA 1.518 56.189 54.840 -0.281 0.000 0.745 609 L CB -0.798 40.970 42.059 -0.486 0.000 0.894 609 L HN 0.276 nan 8.230 nan 0.000 0.432 610 I N -0.299 120.012 120.570 -0.432 0.000 2.208 610 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 610 I C 2.598 178.542 176.117 -0.289 0.000 1.097 610 I CA 1.232 62.209 61.300 -0.538 0.000 1.363 610 I CB -0.692 36.807 38.000 -0.834 0.000 1.051 610 I HN 0.388 nan 8.210 nan 0.000 0.413 611 A N 0.820 123.514 122.820 -0.209 0.000 1.908 611 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 611 A C 2.509 180.042 177.584 -0.085 0.000 1.181 611 A CA 2.469 54.436 52.037 -0.116 0.000 0.627 611 A CB -0.920 18.026 19.000 -0.091 0.000 0.818 611 A HN 0.552 nan 8.150 nan 0.000 0.445 612 S N -0.104 115.537 115.700 -0.099 0.000 2.402 612 S HA -0.058 4.412 4.470 -0.000 0.000 0.229 612 S C 1.884 176.453 174.600 -0.052 0.000 1.021 612 S CA 1.305 59.465 58.200 -0.068 0.000 0.974 612 S CB -0.708 62.450 63.200 -0.070 0.000 0.800 612 S HN 0.465 nan 8.310 nan 0.000 0.484 613 L N 1.413 122.593 121.223 -0.071 0.000 2.017 613 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 613 L C 2.627 179.524 176.870 0.046 0.000 1.073 613 L CA 1.391 56.225 54.840 -0.010 0.000 0.745 613 L CB -0.852 41.196 42.059 -0.019 0.000 0.894 613 L HN 0.311 nan 8.230 nan 0.000 0.432 614 N N 0.116 118.835 118.700 0.031 0.000 2.244 614 N HA -0.130 4.610 4.740 -0.000 0.000 0.183 614 N C 1.539 177.079 175.510 0.051 0.000 1.016 614 N CA 0.921 54.013 53.050 0.070 0.000 0.866 614 N CB -0.348 38.172 38.487 0.056 0.000 0.980 614 N HN 0.315 nan 8.380 nan 0.000 0.430 615 N N 0.699 119.406 118.700 0.011 0.000 2.457 615 N HA -0.053 4.687 4.740 -0.000 0.000 0.180 615 N C 1.643 177.136 175.510 -0.028 0.000 1.050 615 N CA 0.044 53.090 53.050 -0.007 0.000 0.906 615 N CB -0.127 38.347 38.487 -0.022 0.000 0.968 615 N HN 0.172 nan 8.380 nan 0.000 0.445 616 L N 1.403 122.611 121.223 -0.025 0.000 2.017 616 L HA -0.048 4.291 4.340 -0.000 0.000 0.208 616 L C 2.118 178.857 176.870 -0.219 0.000 1.073 616 L CA 1.446 56.236 54.840 -0.084 0.000 0.745 616 L CB -0.973 41.071 42.059 -0.025 0.000 0.894 616 L HN 0.109 nan 8.230 nan 0.000 0.432 617 A N -0.591 122.146 122.820 -0.138 0.000 1.908 617 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 617 A C 2.363 179.850 177.584 -0.160 0.000 1.181 617 A CA 1.756 53.644 52.037 -0.248 0.000 0.627 617 A CB -1.630 17.427 19.000 0.095 0.000 0.818 617 A HN 0.536 nan 8.150 nan 0.000 0.445 618 G N -1.094 107.678 108.800 -0.046 0.000 2.446 618 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 618 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 618 G C 1.603 176.440 174.900 -0.105 0.000 1.168 618 G CA 1.742 46.821 45.100 -0.036 0.000 0.771 618 G HN 0.440 nan 8.290 nan 0.000 0.551 619 T N 0.677 115.138 114.554 -0.154 0.000 2.708 619 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 619 T C 2.547 177.088 174.700 -0.265 0.000 1.037 619 T CA 1.345 63.314 62.100 -0.219 0.000 1.146 619 T CB -0.298 68.492 68.868 -0.130 0.000 0.865 619 T HN 0.061 nan 8.240 nan 0.000 0.435 620 V N 1.580 121.302 119.914 -0.319 0.000 2.307 620 V HA -0.147 3.973 4.120 -0.000 0.000 0.245 620 V C 2.362 178.250 176.094 -0.344 0.000 1.045 620 V CA 1.942 63.983 62.300 -0.432 0.000 1.024 620 V CB -0.650 30.636 31.823 -0.895 0.000 0.651 620 V HN 0.483 nan 8.190 nan 0.000 0.449 621 D N -0.759 119.495 120.400 -0.242 0.000 2.123 621 D HA -0.266 4.374 4.640 -0.000 0.000 0.196 621 D C 2.116 178.469 176.300 0.089 0.000 0.992 621 D CA 1.867 55.888 54.000 0.036 0.000 0.833 621 D CB -0.230 40.728 40.800 0.264 0.000 0.954 621 D HN 0.639 nan 8.370 nan 0.000 0.455 622 H N -1.826 117.174 119.070 -0.116 0.000 2.319 622 H HA -0.191 4.365 4.556 -0.000 0.000 0.299 622 H C 1.695 176.949 175.328 -0.123 0.000 1.092 622 H CA 1.429 57.389 56.048 -0.147 0.000 1.302 622 H CB 0.004 29.587 29.762 -0.297 0.000 1.373 622 H HN 0.259 nan 8.280 nan 0.000 0.497 623 Y N -0.308 119.886 120.300 -0.177 0.000 2.163 623 Y HA -0.232 4.317 4.550 -0.000 0.000 0.288 623 Y C 2.464 178.255 175.900 -0.183 0.000 1.136 623 Y CA 1.076 59.012 58.100 -0.273 0.000 1.147 623 Y CB -0.993 37.273 38.460 -0.324 0.000 0.987 623 Y HN 0.294 nan 8.280 nan 0.000 0.509 624 Y N -1.431 118.827 120.300 -0.070 0.000 2.207 624 Y HA -0.269 4.281 4.550 0.000 0.000 0.287 624 Y C 2.586 178.517 175.900 0.053 0.000 1.156 624 Y CA 1.084 59.095 58.100 -0.149 0.000 1.182 624 Y CB -0.957 37.101 38.460 -0.670 0.000 0.979 624 Y HN 0.122 nan 8.280 nan 0.000 0.521 625 C N -0.996 118.461 119.300 0.260 0.000 2.514 625 C HA -0.005 4.455 4.460 -0.000 0.000 0.271 625 C C 2.748 177.888 174.990 0.250 0.000 1.399 625 C CA -0.147 59.063 59.018 0.320 0.000 1.765 625 C CB -1.420 26.517 27.740 0.329 0.000 1.893 625 C HN 0.498 nan 8.230 nan 0.000 0.531 626 L N 1.173 122.496 121.223 0.167 0.000 1.989 626 L HA -0.030 4.310 4.340 -0.000 0.000 0.211 626 L C -1.172 175.797 176.870 0.165 0.000 1.071 626 L CA 1.549 56.463 54.840 0.123 0.000 0.749 626 L CB -1.554 40.535 42.059 0.051 0.000 0.890 626 L HN 0.287 nan 8.230 nan 0.000 0.431 627 P HA 0.189 nan 4.420 nan 0.000 0.290 627 P C -1.380 176.053 177.300 0.221 0.000 1.275 627 P CA -0.094 63.154 63.100 0.248 0.000 0.841 627 P CB 1.577 33.472 31.700 0.325 0.000 1.042 628 D N 2.339 122.784 120.400 0.076 0.000 2.364 628 D HA 0.219 4.859 4.640 -0.000 0.000 0.251 628 D C 0.745 176.890 176.300 -0.259 0.000 1.282 628 D CA -0.385 53.536 54.000 -0.132 0.000 0.927 628 D CB 0.312 41.066 40.800 -0.076 0.000 1.267 628 D HN 0.114 nan 8.370 nan 0.000 0.531 629 I N 1.564 121.973 120.570 -0.268 0.000 2.439 629 I HA -0.156 4.014 4.170 -0.000 0.000 0.251 629 I C 2.443 178.341 176.117 -0.366 0.000 1.139 629 I CA 0.506 61.653 61.300 -0.255 0.000 1.438 629 I CB 0.088 38.078 38.000 -0.017 0.000 1.085 629 I HN 0.427 nan 8.210 nan 0.000 0.427 630 Q N 0.795 120.314 119.800 -0.467 0.000 2.061 630 Q HA -0.276 4.064 4.340 -0.000 0.000 0.204 630 Q C 2.081 177.736 176.000 -0.576 0.000 0.984 630 Q CA 2.059 57.546 55.803 -0.527 0.000 0.846 630 Q CB -0.082 28.271 28.738 -0.642 0.000 0.902 630 Q HN 0.588 nan 8.270 nan 0.000 0.421 631 H N -0.846 117.858 119.070 -0.609 0.000 2.462 631 H HA 0.053 4.608 4.556 -0.000 0.000 0.292 631 H C 1.903 176.776 175.328 -0.758 0.000 1.049 631 H CA 0.851 56.401 56.048 -0.829 0.000 1.334 631 H CB 0.089 28.988 29.762 -1.440 0.000 1.404 631 H HN 0.428 nan 8.280 nan 0.000 0.544 632 A N 0.864 123.366 122.820 -0.530 0.000 1.883 632 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 632 A C 2.216 179.660 177.584 -0.233 0.000 1.186 632 A CA 1.441 53.239 52.037 -0.398 0.000 0.624 632 A CB -0.793 17.703 19.000 -0.841 0.000 0.822 632 A HN 0.336 nan 8.150 nan 0.000 0.444 633 L N -0.626 120.479 121.223 -0.197 0.000 2.056 633 L HA -0.154 4.185 4.340 -0.000 0.000 0.207 633 L C 2.495 179.422 176.870 0.095 0.000 1.078 633 L CA 1.103 55.961 54.840 0.030 0.000 0.749 633 L CB -0.511 41.538 42.059 -0.016 0.000 0.901 633 L HN 0.380 nan 8.230 nan 0.000 0.433 634 I N 0.013 120.541 120.570 -0.071 0.000 2.163 634 I HA -0.325 3.844 4.170 -0.000 0.000 0.243 634 I C 2.817 178.976 176.117 0.068 0.000 1.085 634 I CA 1.300 62.590 61.300 -0.017 0.000 1.347 634 I CB -0.495 37.443 38.000 -0.103 0.000 1.044 634 I HN 0.229 nan 8.210 nan 0.000 0.408 635 A N 1.019 123.857 122.820 0.031 0.000 1.902 635 A HA -0.174 4.145 4.320 -0.000 0.000 0.217 635 A C 2.279 179.897 177.584 0.056 0.000 1.181 635 A CA 1.504 53.571 52.037 0.051 0.000 0.623 635 A CB -0.808 18.231 19.000 0.064 0.000 0.818 635 A HN 0.375 nan 8.150 nan 0.000 0.443 636 I N -1.968 118.648 120.570 0.077 0.000 2.226 636 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 636 I C 2.204 178.338 176.117 0.029 0.000 1.100 636 I CA 1.396 62.739 61.300 0.072 0.000 1.374 636 I CB -0.322 37.760 38.000 0.137 0.000 1.057 636 I HN 0.296 nan 8.210 nan 0.000 0.413 637 F N 0.917 120.887 119.950 0.033 0.000 2.259 637 F HA -0.165 4.361 4.527 -0.001 0.000 0.298 637 F C 2.171 177.983 175.800 0.019 0.000 1.088 637 F CA 1.129 59.147 58.000 0.031 0.000 1.358 637 F CB -0.529 38.501 39.000 0.050 0.000 1.040 637 F HN 0.072 nan 8.300 nan 0.000 0.505 638 D N 0.084 120.577 120.400 0.154 0.000 2.116 638 D HA -0.179 4.461 4.640 -0.000 0.000 0.193 638 D C 2.521 178.840 176.300 0.032 0.000 0.998 638 D CA 1.520 55.567 54.000 0.079 0.000 0.836 638 D CB -0.659 40.175 40.800 0.056 0.000 0.951 638 D HN 0.089 nan 8.370 nan 0.000 0.449 639 V N 0.778 120.696 119.914 0.006 0.000 2.427 639 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 639 V C 2.623 178.688 176.094 -0.049 0.000 1.051 639 V CA 0.979 63.264 62.300 -0.024 0.000 1.048 639 V CB -0.393 31.415 31.823 -0.025 0.000 0.666 639 V HN 0.192 nan 8.190 nan 0.000 0.456 640 L N -0.633 120.528 121.223 -0.104 0.000 2.046 640 L HA -0.159 4.180 4.340 -0.000 0.000 0.208 640 L C 2.790 179.627 176.870 -0.055 0.000 1.077 640 L CA 1.595 56.344 54.840 -0.150 0.000 0.747 640 L CB -0.565 41.254 42.059 -0.400 0.000 0.896 640 L HN 0.217 nan 8.230 nan 0.000 0.432 641 R N -0.654 119.844 120.500 -0.002 0.000 2.096 641 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 641 R C 2.478 178.802 176.300 0.040 0.000 1.127 641 R CA 1.518 57.642 56.100 0.040 0.000 0.968 641 R CB -0.309 30.032 30.300 0.069 0.000 0.861 641 R HN 0.299 nan 8.270 nan 0.000 0.440 642 S N 1.229 116.944 115.700 0.026 0.000 2.368 642 S HA -0.077 4.393 4.470 -0.000 0.000 0.224 642 S C 1.992 176.626 174.600 0.056 0.000 1.029 642 S CA 0.945 59.164 58.200 0.032 0.000 0.988 642 S CB -0.160 63.039 63.200 -0.002 0.000 0.838 642 S HN 0.193 nan 8.310 nan 0.000 0.462 643 L N 1.772 123.009 121.223 0.025 0.000 2.012 643 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 643 L C 2.417 179.365 176.870 0.130 0.000 1.073 643 L CA 1.030 55.904 54.840 0.057 0.000 0.748 643 L CB -0.657 41.405 42.059 0.004 0.000 0.891 643 L HN 0.263 nan 8.230 nan 0.000 0.431 644 N N 0.024 118.774 118.700 0.083 0.000 2.104 644 N HA -0.169 4.570 4.740 -0.000 0.000 0.190 644 N C 1.821 177.396 175.510 0.108 0.000 1.024 644 N CA 1.628 54.733 53.050 0.092 0.000 0.853 644 N CB -0.208 38.318 38.487 0.065 0.000 1.008 644 N HN 0.346 nan 8.380 nan 0.000 0.424 645 A N -0.020 122.862 122.820 0.103 0.000 1.898 645 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 645 A C 2.162 179.815 177.584 0.116 0.000 1.181 645 A CA 1.066 53.161 52.037 0.097 0.000 0.620 645 A CB -0.969 18.079 19.000 0.081 0.000 0.819 645 A HN 0.436 nan 8.150 nan 0.000 0.442 646 Y N 0.709 121.015 120.300 0.010 0.000 2.128 646 Y HA -0.213 4.337 4.550 -0.000 0.000 0.284 646 Y C 2.340 178.238 175.900 -0.003 0.000 1.154 646 Y CA 2.086 60.185 58.100 -0.002 0.000 1.149 646 Y CB -0.425 38.029 38.460 -0.009 0.000 0.976 646 Y HN 0.064 nan 8.280 nan 0.000 0.505 647 V N -0.407 119.534 119.914 0.045 0.000 2.343 647 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 647 V C 2.275 178.329 176.094 -0.066 0.000 1.051 647 V CA 2.428 64.703 62.300 -0.043 0.000 1.036 647 V CB -1.116 30.768 31.823 0.101 0.000 0.654 647 V HN 0.500 nan 8.190 nan 0.000 0.451 648 T N -0.599 113.988 114.554 0.054 0.000 2.708 648 T HA -0.245 4.105 4.350 -0.000 0.000 0.266 648 T C 1.887 176.563 174.700 -0.039 0.000 1.037 648 T CA 1.799 63.975 62.100 0.127 0.000 1.146 648 T CB -0.249 68.714 68.868 0.159 0.000 0.865 648 T HN 0.635 nan 8.240 nan 0.000 0.435 649 E N 1.028 121.181 120.200 -0.078 0.000 2.118 649 E HA -0.174 4.175 4.350 -0.000 0.000 0.195 649 E C 1.759 178.223 176.600 -0.226 0.000 0.992 649 E CA 0.987 57.317 56.400 -0.117 0.000 0.804 649 E CB -0.035 29.614 29.700 -0.085 0.000 0.741 649 E HN 0.372 nan 8.360 nan 0.000 0.458 650 N N 0.036 118.524 118.700 -0.354 0.000 2.398 650 N HA 0.026 4.766 4.740 -0.000 0.000 0.188 650 N C -0.054 175.157 175.510 -0.498 0.000 1.122 650 N CA 0.721 53.527 53.050 -0.408 0.000 0.866 650 N CB 0.482 38.654 38.487 -0.525 0.000 0.970 650 N HN 0.182 nan 8.380 nan 0.000 0.462 651 A N 1.764 124.168 122.820 -0.694 0.000 2.103 651 A HA -0.149 4.171 4.320 -0.000 0.000 0.269 651 A C -1.491 175.310 177.584 -1.304 0.000 1.346 651 A CA -0.085 51.106 52.037 -1.410 0.000 0.755 651 A CB -1.051 17.390 19.000 -0.931 0.000 1.146 651 A HN 0.193 nan 8.150 nan 0.000 0.330 652 P HA -0.153 nan 4.420 nan 0.000 0.218 652 P C 1.363 178.517 177.300 -0.242 0.000 1.149 652 P CA 1.709 64.567 63.100 -0.403 0.000 0.817 652 P CB -0.255 31.349 31.700 -0.160 0.000 0.785 653 W N 0.757 122.041 121.300 -0.026 0.000 2.364 653 W HA -0.050 4.610 4.660 -0.001 0.000 0.281 653 W C 1.494 178.003 176.519 -0.017 0.000 1.219 653 W CA 0.889 58.222 57.345 -0.019 0.000 1.220 653 W CB -1.496 27.954 29.460 -0.017 0.000 1.127 653 W HN -0.127 nan 8.180 nan 0.000 0.556 654 K N 0.881 121.087 120.400 -0.323 0.000 2.186 654 K HA 0.055 4.375 4.320 -0.000 0.000 0.202 654 K C 1.970 178.495 176.600 -0.125 0.000 1.052 654 K CA 1.058 57.248 56.287 -0.162 0.000 0.965 654 K CB -0.502 31.853 32.500 -0.241 0.000 0.746 654 K HN 0.316 nan 8.250 nan 0.000 0.457 655 L N 1.652 122.768 121.223 -0.178 0.000 2.201 655 L HA -0.063 4.277 4.340 -0.000 0.000 0.212 655 L C 0.863 177.701 176.870 -0.054 0.000 1.105 655 L CA 0.229 55.000 54.840 -0.114 0.000 0.775 655 L CB -0.402 41.576 42.059 -0.135 0.000 0.913 655 L HN -0.133 nan 8.230 nan 0.000 0.440 656 V N 1.692 121.589 119.914 -0.029 0.000 2.557 656 V HA -0.105 4.015 4.120 -0.000 0.000 0.301 656 V C 1.118 177.215 176.094 0.006 0.000 1.026 656 V CA 0.420 62.723 62.300 0.005 0.000 1.137 656 V CB 0.325 32.171 31.823 0.038 0.000 0.917 656 V HN 0.512 nan 8.190 nan 0.000 0.484 657 K N 2.251 122.654 120.400 0.005 0.000 3.274 657 K HA -0.277 4.043 4.320 -0.000 0.000 0.305 657 K C 0.891 177.490 176.600 -0.001 0.000 1.225 657 K CA 1.489 57.779 56.287 0.005 0.000 0.904 657 K CB -0.751 31.756 32.500 0.012 0.000 1.227 657 K HN 0.738 nan 8.250 nan 0.000 0.453 658 M N -0.157 119.437 119.600 -0.010 0.000 2.971 658 M HA 0.059 4.539 4.480 -0.000 0.000 0.238 658 M C -0.821 175.465 176.300 -0.022 0.000 1.582 658 M CA 1.057 56.347 55.300 -0.017 0.000 1.223 658 M CB 0.903 33.489 32.600 -0.024 0.000 1.238 658 M HN 0.031 nan 8.290 nan 0.000 0.568 659 D N 1.058 121.440 120.400 -0.030 0.000 2.364 659 D HA 0.290 4.930 4.640 -0.000 0.000 0.251 659 D C 0.211 176.495 176.300 -0.027 0.000 1.282 659 D CA 0.099 54.081 54.000 -0.030 0.000 0.927 659 D CB 1.067 41.843 40.800 -0.041 0.000 1.267 659 D HN 0.130 nan 8.370 nan 0.000 0.531 660 T N 0.674 115.218 114.554 -0.016 0.000 2.708 660 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 660 T C 1.949 176.644 174.700 -0.008 0.000 1.037 660 T CA 1.656 63.751 62.100 -0.008 0.000 1.146 660 T CB 0.031 68.897 68.868 -0.002 0.000 0.865 660 T HN 0.491 nan 8.240 nan 0.000 0.435 661 A N 1.985 124.796 122.820 -0.014 0.000 1.869 661 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 661 A C 2.256 179.829 177.584 -0.019 0.000 1.203 661 A CA 2.418 54.443 52.037 -0.020 0.000 0.638 661 A CB -0.637 18.347 19.000 -0.027 0.000 0.831 661 A HN 0.344 nan 8.150 nan 0.000 0.450 662 R N -0.515 119.971 120.500 -0.023 0.000 2.075 662 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 662 R C 1.934 178.226 176.300 -0.015 0.000 1.126 662 R CA 1.685 57.771 56.100 -0.024 0.000 0.963 662 R CB -1.057 29.218 30.300 -0.041 0.000 0.858 662 R HN 0.449 nan 8.270 nan 0.000 0.435 663 L N 0.235 121.444 121.223 -0.023 0.000 2.079 663 L HA 0.001 4.341 4.340 -0.000 0.000 0.210 663 L C 2.013 178.901 176.870 0.030 0.000 1.081 663 L CA 2.402 57.232 54.840 -0.017 0.000 0.752 663 L CB -1.160 40.887 42.059 -0.020 0.000 0.896 663 L HN 0.323 nan 8.230 nan 0.000 0.433 664 G N -1.867 106.956 108.800 0.039 0.000 2.446 664 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 664 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 664 G C 1.429 176.412 174.900 0.138 0.000 1.168 664 G CA 1.208 46.353 45.100 0.075 0.000 0.771 664 G HN 0.446 nan 8.290 nan 0.000 0.551 665 T N 0.795 115.416 114.554 0.111 0.000 2.777 665 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 665 T C 2.543 177.424 174.700 0.301 0.000 1.040 665 T CA 1.208 63.422 62.100 0.189 0.000 1.141 665 T CB -0.262 68.662 68.868 0.093 0.000 0.868 665 T HN 0.064 nan 8.240 nan 0.000 0.444 666 V N 1.350 121.384 119.914 0.200 0.000 2.307 666 V HA -0.090 4.030 4.120 -0.000 0.000 0.245 666 V C 2.497 178.732 176.094 0.235 0.000 1.045 666 V CA 1.428 63.856 62.300 0.213 0.000 1.024 666 V CB -0.649 31.161 31.823 -0.021 0.000 0.651 666 V HN 0.394 nan 8.190 nan 0.000 0.449 667 L N -1.517 119.792 121.223 0.145 0.000 2.056 667 L HA -0.203 4.137 4.340 -0.000 0.000 0.207 667 L C 2.469 179.402 176.870 0.104 0.000 1.078 667 L CA 1.886 56.777 54.840 0.085 0.000 0.749 667 L CB -0.574 41.506 42.059 0.035 0.000 0.901 667 L HN 0.395 nan 8.230 nan 0.000 0.433 668 Y N -0.006 120.377 120.300 0.139 0.000 2.145 668 Y HA -0.256 4.293 4.550 -0.001 0.000 0.286 668 Y C 2.395 178.489 175.900 0.323 0.000 1.145 668 Y CA 1.733 59.971 58.100 0.230 0.000 1.148 668 Y CB -0.333 38.303 38.460 0.295 0.000 0.981 668 Y HN -0.156 nan 8.280 nan 0.000 0.507 669 V N -0.457 119.696 119.914 0.398 0.000 2.332 669 V HA -0.353 3.767 4.120 -0.000 0.000 0.248 669 V C 2.227 178.371 176.094 0.082 0.000 1.055 669 V CA 2.496 64.965 62.300 0.282 0.000 1.038 669 V CB -1.134 30.777 31.823 0.147 0.000 0.651 669 V HN 0.502 nan 8.190 nan 0.000 0.450 670 T N -0.330 114.284 114.554 0.101 0.000 2.737 670 T HA -0.156 4.193 4.350 -0.000 0.000 0.265 670 T C 1.885 176.546 174.700 -0.066 0.000 1.038 670 T CA 1.703 63.831 62.100 0.047 0.000 1.144 670 T CB -0.282 68.656 68.868 0.116 0.000 0.866 670 T HN 0.316 nan 8.240 nan 0.000 0.434 671 M N 0.786 120.262 119.600 -0.206 0.000 2.159 671 M HA -0.070 4.409 4.480 -0.000 0.000 0.263 671 M C 2.491 178.680 176.300 -0.184 0.000 1.063 671 M CA 1.291 56.318 55.300 -0.455 0.000 1.110 671 M CB -0.272 31.620 32.600 -1.181 0.000 1.374 671 M HN 0.085 nan 8.290 nan 0.000 0.411 672 E N 0.163 120.336 120.200 -0.045 0.000 2.077 672 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 672 E C 2.166 178.843 176.600 0.128 0.000 0.989 672 E CA 1.551 58.025 56.400 0.123 0.000 0.800 672 E CB -0.472 29.263 29.700 0.058 0.000 0.746 672 E HN 0.590 nan 8.360 nan 0.000 0.452 673 G N 1.501 110.349 108.800 0.080 0.000 2.421 673 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.216 673 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.216 673 G C 1.621 176.538 174.900 0.027 0.000 1.171 673 G CA 0.774 45.898 45.100 0.040 0.000 0.775 673 G HN 0.223 nan 8.290 nan 0.000 0.543 674 L N 0.833 122.059 121.223 0.005 0.000 2.042 674 L HA 0.011 4.351 4.340 -0.000 0.000 0.210 674 L C 2.745 179.640 176.870 0.042 0.000 1.076 674 L CA 2.283 57.123 54.840 -0.000 0.000 0.749 674 L CB -0.680 41.361 42.059 -0.030 0.000 0.893 674 L HN 0.286 nan 8.230 nan 0.000 0.432 675 R N -0.357 120.201 120.500 0.097 0.000 2.080 675 R HA -0.198 4.142 4.340 -0.000 0.000 0.236 675 R C 2.342 178.671 176.300 0.049 0.000 1.137 675 R CA 2.377 58.552 56.100 0.124 0.000 0.943 675 R CB -0.475 29.955 30.300 0.218 0.000 0.846 675 R HN 0.476 nan 8.270 nan 0.000 0.431 676 I N 0.243 120.846 120.570 0.055 0.000 2.226 676 I HA -0.356 3.814 4.170 -0.000 0.000 0.245 676 I C 2.577 178.735 176.117 0.068 0.000 1.100 676 I CA 1.129 62.444 61.300 0.025 0.000 1.374 676 I CB -0.264 37.803 38.000 0.112 0.000 1.057 676 I HN 0.351 nan 8.210 nan 0.000 0.413 677 C N 0.170 119.529 119.300 0.099 0.000 2.429 677 C HA -0.148 4.312 4.460 -0.000 0.000 0.277 677 C C 3.027 178.081 174.990 0.106 0.000 1.262 677 C CA 1.492 60.581 59.018 0.118 0.000 1.733 677 C CB -1.147 26.589 27.740 -0.006 0.000 2.010 677 C HN 0.506 nan 8.230 nan 0.000 0.483 678 T N 1.110 115.697 114.554 0.055 0.000 2.746 678 T HA -0.258 4.092 4.350 -0.000 0.000 0.267 678 T C 1.798 176.534 174.700 0.061 0.000 1.039 678 T CA 1.800 63.941 62.100 0.068 0.000 1.142 678 T CB -0.413 68.491 68.868 0.060 0.000 0.866 678 T HN 0.633 nan 8.240 nan 0.000 0.444 679 M N 0.348 119.930 119.600 -0.031 0.000 2.082 679 M HA -0.145 4.335 4.480 -0.000 0.000 0.258 679 M C 1.280 177.518 176.300 -0.102 0.000 1.069 679 M CA 1.960 57.177 55.300 -0.139 0.000 1.102 679 M CB -0.300 32.098 32.600 -0.337 0.000 1.336 679 M HN 0.197 nan 8.290 nan 0.000 0.404 680 F N 0.086 120.108 119.950 0.121 0.000 2.748 680 F HA 0.090 4.617 4.527 -0.000 0.000 0.299 680 F C 1.587 177.541 175.800 0.257 0.000 1.154 680 F CA 0.642 58.757 58.000 0.191 0.000 1.446 680 F CB -0.329 38.752 39.000 0.135 0.000 1.112 680 F HN 0.152 nan 8.300 nan 0.000 0.584 681 L N -1.090 120.336 121.223 0.338 0.000 2.554 681 L HA 0.012 4.352 4.340 -0.000 0.000 0.225 681 L C 2.008 179.036 176.870 0.263 0.000 1.104 681 L CA 0.258 55.290 54.840 0.320 0.000 0.866 681 L CB -0.368 41.852 42.059 0.269 0.000 1.047 681 L HN 0.079 nan 8.230 nan 0.000 0.468 682 Q N 0.471 120.392 119.800 0.201 0.000 2.197 682 Q HA -0.201 4.139 4.340 -0.000 0.000 0.207 682 Q C -0.631 175.468 176.000 0.166 0.000 0.984 682 Q CA 1.603 57.500 55.803 0.156 0.000 0.869 682 Q CB -0.825 27.974 28.738 0.102 0.000 0.906 682 Q HN 0.447 nan 8.270 nan 0.000 0.426 683 P HA -0.100 nan 4.420 nan 0.000 0.217 683 P C 1.180 178.606 177.300 0.211 0.000 1.151 683 P CA 1.014 64.206 63.100 0.152 0.000 0.828 683 P CB 0.140 31.872 31.700 0.054 0.000 0.788 684 V N -1.689 118.389 119.914 0.273 0.000 2.599 684 V HA 0.045 4.165 4.120 -0.000 0.000 0.245 684 V C 1.431 177.696 176.094 0.284 0.000 1.046 684 V CA 1.420 63.895 62.300 0.292 0.000 1.065 684 V CB -0.636 31.391 31.823 0.341 0.000 0.703 684 V HN 0.087 nan 8.190 nan 0.000 0.464 685 M N 0.791 120.555 119.600 0.273 0.000 2.389 685 M HA 0.285 4.765 4.480 -0.000 0.000 0.206 685 M C -2.114 174.307 176.300 0.201 0.000 0.976 685 M CA -1.275 54.179 55.300 0.258 0.000 0.648 685 M CB 2.066 34.853 32.600 0.312 0.000 1.474 685 M HN 0.025 nan 8.290 nan 0.000 0.398 686 P HA -0.168 nan 4.420 nan 0.000 0.218 686 P C 1.241 178.603 177.300 0.103 0.000 1.149 686 P CA 1.375 64.555 63.100 0.133 0.000 0.817 686 P CB 0.338 32.115 31.700 0.129 0.000 0.785 687 Q N 0.661 120.520 119.800 0.098 0.000 2.020 687 Q HA -0.088 4.252 4.340 -0.000 0.000 0.198 687 Q C 2.175 178.197 176.000 0.037 0.000 0.974 687 Q CA 1.726 57.565 55.803 0.060 0.000 0.829 687 Q CB -0.668 28.101 28.738 0.051 0.000 0.894 687 Q HN -0.036 nan 8.270 nan 0.000 0.433 688 K N 0.187 120.614 120.400 0.045 0.000 2.097 688 K HA -0.006 4.314 4.320 -0.000 0.000 0.205 688 K C 1.991 178.615 176.600 0.040 0.000 1.050 688 K CA 1.128 57.405 56.287 -0.017 0.000 0.938 688 K CB -0.591 31.894 32.500 -0.025 0.000 0.718 688 K HN 0.301 nan 8.250 nan 0.000 0.442 689 A N 2.003 124.885 122.820 0.104 0.000 1.908 689 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 689 A C 2.208 179.831 177.584 0.066 0.000 1.181 689 A CA 2.053 54.150 52.037 0.101 0.000 0.627 689 A CB -0.438 18.636 19.000 0.122 0.000 0.818 689 A HN 0.353 nan 8.150 nan 0.000 0.445 690 K N -0.202 120.232 120.400 0.056 0.000 2.147 690 K HA -0.181 4.139 4.320 -0.000 0.000 0.205 690 K C 1.810 178.426 176.600 0.027 0.000 1.049 690 K CA 1.657 57.968 56.287 0.041 0.000 0.936 690 K CB -0.171 32.352 32.500 0.038 0.000 0.722 690 K HN 0.623 nan 8.250 nan 0.000 0.446 691 E N 0.459 120.664 120.200 0.009 0.000 2.106 691 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 691 E C 2.001 178.601 176.600 0.000 0.000 0.984 691 E CA 1.311 57.704 56.400 -0.012 0.000 0.806 691 E CB -0.023 29.643 29.700 -0.057 0.000 0.750 691 E HN 0.349 nan 8.360 nan 0.000 0.458 692 I N 0.542 121.119 120.570 0.011 0.000 2.163 692 I HA -0.266 3.903 4.170 -0.000 0.000 0.240 692 I C 2.367 178.517 176.117 0.055 0.000 1.081 692 I CA 0.722 62.040 61.300 0.030 0.000 1.353 692 I CB -0.222 37.807 38.000 0.048 0.000 1.054 692 I HN 0.172 nan 8.210 nan 0.000 0.407 693 M N 0.196 119.834 119.600 0.063 0.000 2.106 693 M HA -0.247 4.233 4.480 -0.000 0.000 0.259 693 M C 1.843 178.192 176.300 0.082 0.000 1.068 693 M CA 1.837 57.185 55.300 0.080 0.000 1.100 693 M CB -1.320 31.316 32.600 0.060 0.000 1.351 693 M HN 0.226 nan 8.290 nan 0.000 0.404 694 D N 0.266 120.701 120.400 0.057 0.000 2.117 694 D HA -0.021 4.619 4.640 -0.000 0.000 0.198 694 D C 2.043 178.379 176.300 0.061 0.000 0.982 694 D CA 1.555 55.587 54.000 0.052 0.000 0.828 694 D CB -0.223 40.596 40.800 0.032 0.000 0.967 694 D HN 0.326 nan 8.370 nan 0.000 0.464 695 A N 0.728 123.577 122.820 0.050 0.000 1.908 695 A HA -0.143 4.176 4.320 -0.000 0.000 0.218 695 A C 2.293 179.922 177.584 0.075 0.000 1.181 695 A CA 1.048 53.112 52.037 0.045 0.000 0.627 695 A CB -0.783 18.230 19.000 0.021 0.000 0.818 695 A HN 0.246 nan 8.150 nan 0.000 0.445 696 L N -1.420 119.872 121.223 0.116 0.000 2.478 696 L HA 0.126 4.466 4.340 -0.000 0.000 0.223 696 L C 1.752 178.855 176.870 0.388 0.000 1.140 696 L CA 0.539 55.507 54.840 0.214 0.000 0.842 696 L CB -0.408 41.817 42.059 0.276 0.000 0.953 696 L HN 0.610 nan 8.230 nan 0.000 0.452 697 G N 0.326 109.267 108.800 0.236 0.000 2.160 697 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.251 697 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.251 697 G C 0.244 175.215 174.900 0.118 0.000 1.008 697 G CA 0.091 45.301 45.100 0.184 0.000 0.724 697 G HN 0.116 nan 8.290 nan 0.000 0.514 698 V N 2.036 122.027 119.914 0.128 0.000 2.450 698 V HA 0.236 4.356 4.120 -0.000 0.000 0.281 698 V C -1.009 175.068 176.094 -0.029 0.000 1.019 698 V CA -0.794 61.507 62.300 0.001 0.000 1.062 698 V CB 0.703 32.560 31.823 0.057 0.000 0.979 698 V HN 0.208 nan 8.190 nan 0.000 0.477 699 P HA 0.020 nan 4.420 nan 0.000 0.266 699 P C 0.968 178.245 177.300 -0.038 0.000 1.193 699 P CA 0.013 63.079 63.100 -0.057 0.000 0.770 699 P CB 0.594 32.244 31.700 -0.083 0.000 0.836 700 E N 2.229 122.416 120.200 -0.022 0.000 2.097 700 E HA -0.233 4.116 4.350 -0.000 0.000 0.196 700 E C 1.921 178.508 176.600 -0.021 0.000 1.000 700 E CA 1.994 58.386 56.400 -0.013 0.000 0.804 700 E CB -0.731 28.966 29.700 -0.005 0.000 0.740 700 E HN 0.545 nan 8.360 nan 0.000 0.454 701 A N 1.014 123.817 122.820 -0.029 0.000 2.070 701 A HA -0.008 4.312 4.320 -0.000 0.000 0.220 701 A C 2.204 179.763 177.584 -0.042 0.000 1.159 701 A CA 1.575 53.592 52.037 -0.033 0.000 0.656 701 A CB -0.227 18.752 19.000 -0.035 0.000 0.800 701 A HN 0.227 nan 8.150 nan 0.000 0.453 702 A N -0.675 122.113 122.820 -0.053 0.000 2.275 702 A HA 0.151 4.471 4.320 -0.000 0.000 0.212 702 A C 1.882 179.438 177.584 -0.047 0.000 1.201 702 A CA 0.271 52.270 52.037 -0.063 0.000 0.843 702 A CB -0.208 18.729 19.000 -0.104 0.000 0.873 702 A HN 0.534 nan 8.150 nan 0.000 0.492 703 R N -0.448 120.033 120.500 -0.033 0.000 2.280 703 R HA 0.174 4.513 4.340 -0.000 0.000 0.195 703 R C 0.164 176.447 176.300 -0.027 0.000 0.935 703 R CA 0.928 57.014 56.100 -0.024 0.000 1.033 703 R CB 0.009 30.305 30.300 -0.007 0.000 0.964 703 R HN 0.466 nan 8.270 nan 0.000 0.489 704 V N -3.519 116.380 119.914 -0.025 0.000 3.114 704 V HA 0.902 5.022 4.120 -0.000 0.000 0.308 704 V C -0.464 175.606 176.094 -0.041 0.000 1.168 704 V CA -0.543 61.741 62.300 -0.026 0.000 1.015 704 V CB 1.725 33.531 31.823 -0.028 0.000 1.050 704 V HN 0.288 nan 8.190 nan 0.000 0.433 705 G N 2.476 111.234 108.800 -0.070 0.000 2.911 705 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.686 705 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.686 705 G C -0.295 174.453 174.900 -0.253 0.000 1.136 705 G CA -0.095 44.925 45.100 -0.133 0.000 0.764 705 G HN 1.214 nan 8.290 nan 0.000 0.626 706 M N 0.981 120.310 119.600 -0.451 0.000 2.358 706 M HA -0.083 4.397 4.480 -0.000 0.000 0.264 706 M C 2.592 178.677 176.300 -0.358 0.000 1.064 706 M CA 1.917 56.725 55.300 -0.820 0.000 1.093 706 M CB -0.282 31.941 32.600 -0.628 0.000 1.401 706 M HN 0.850 nan 8.290 nan 0.000 0.440 707 E N 0.374 120.469 120.200 -0.175 0.000 2.331 707 E HA -0.204 4.146 4.350 -0.000 0.000 0.199 707 E C 0.573 177.168 176.600 -0.008 0.000 1.008 707 E CA 1.147 57.507 56.400 -0.067 0.000 0.843 707 E CB -0.679 28.988 29.700 -0.054 0.000 0.761 707 E HN 0.550 nan 8.360 nan 0.000 0.507 708 N N -0.146 118.562 118.700 0.015 0.000 2.268 708 N HA -0.002 4.738 4.740 -0.000 0.000 0.204 708 N C 0.087 175.731 175.510 0.223 0.000 1.124 708 N CA 0.003 53.100 53.050 0.077 0.000 0.838 708 N CB 0.044 38.551 38.487 0.032 0.000 0.994 708 N HN 0.158 nan 8.380 nan 0.000 0.489 709 Y N 1.113 121.433 120.300 0.034 0.000 2.529 709 Y HA 0.185 4.735 4.550 -0.000 0.000 0.290 709 Y C 1.056 177.043 175.900 0.146 0.000 1.177 709 Y CA -0.221 57.950 58.100 0.119 0.000 1.305 709 Y CB -0.362 38.214 38.460 0.194 0.000 1.047 709 Y HN 0.085 nan 8.280 nan 0.000 0.522 710 L N -4.289 117.077 121.223 0.239 0.000 2.301 710 L HA 0.571 4.911 4.340 -0.000 0.000 0.264 710 L C -0.568 176.410 176.870 0.179 0.000 1.016 710 L CA -1.340 53.619 54.840 0.198 0.000 0.821 710 L CB 1.378 43.535 42.059 0.164 0.000 1.346 710 L HN -0.175 nan 8.230 nan 0.000 0.429 711 F N 1.711 121.699 119.950 0.064 0.000 2.529 711 F HA 0.516 5.043 4.527 -0.000 0.000 0.365 711 F C 0.991 176.849 175.800 0.096 0.000 1.102 711 F CA 1.217 59.249 58.000 0.055 0.000 1.271 711 F CB 0.778 39.785 39.000 0.012 0.000 1.120 711 F HN 0.850 nan 8.300 nan 0.000 0.579 712 G N 5.980 114.301 108.800 -0.798 0.000 2.181 712 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.152 712 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.152 712 G C 0.499 175.290 174.900 -0.182 0.000 1.026 712 G CA -0.007 44.742 45.100 -0.586 0.000 0.699 712 G HN 0.553 nan 8.290 nan 0.000 0.497 713 I N -0.005 120.472 120.570 -0.155 0.000 2.296 713 I HA 0.070 4.240 4.170 -0.000 0.000 0.242 713 I C 1.756 177.790 176.117 -0.137 0.000 1.087 713 I CA 0.900 62.133 61.300 -0.112 0.000 1.393 713 I CB -0.784 37.155 38.000 -0.102 0.000 1.093 713 I HN 0.063 nan 8.210 nan 0.000 0.421 714 V N 2.945 122.722 119.914 -0.229 0.000 2.572 714 V HA -0.004 4.115 4.120 -0.000 0.000 0.291 714 V C 0.516 176.514 176.094 -0.159 0.000 1.039 714 V CA -0.435 61.613 62.300 -0.421 0.000 1.055 714 V CB 0.198 31.281 31.823 -1.234 0.000 0.969 714 V HN 0.266 nan 8.190 nan 0.000 0.482 715 K N 6.247 126.536 120.400 -0.185 0.000 2.379 715 K HA 0.250 4.570 4.320 -0.000 0.000 0.284 715 K C -2.450 174.145 176.600 -0.009 0.000 1.044 715 K CA -1.323 54.916 56.287 -0.080 0.000 0.974 715 K CB 0.325 32.774 32.500 -0.085 0.000 0.962 715 K HN 0.420 nan 8.250 nan 0.000 0.474 716 P HA -0.082 nan 4.420 nan 0.000 0.266 716 P C 0.732 178.082 177.300 0.084 0.000 1.195 716 P CA 0.768 63.936 63.100 0.112 0.000 0.768 716 P CB 0.705 32.392 31.700 -0.022 0.000 0.838 717 G N 1.217 110.102 108.800 0.141 0.000 2.254 717 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.225 717 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.225 717 G C 0.290 175.253 174.900 0.104 0.000 1.003 717 G CA -0.001 45.158 45.100 0.098 0.000 0.622 717 G HN 0.608 nan 8.290 nan 0.000 0.507 718 T N 3.810 118.420 114.554 0.093 0.000 2.871 718 T HA 0.380 4.730 4.350 -0.000 0.000 0.296 718 T C 0.462 175.289 174.700 0.212 0.000 0.998 718 T CA 0.338 62.470 62.100 0.052 0.000 1.162 718 T CB 0.898 69.652 68.868 -0.190 0.000 0.947 718 T HN 0.206 nan 8.240 nan 0.000 0.536 719 K N 3.645 124.133 120.400 0.147 0.000 2.249 719 K HA 0.319 4.639 4.320 -0.000 0.000 0.280 719 K C 0.610 177.330 176.600 0.201 0.000 1.033 719 K CA -0.412 55.971 56.287 0.160 0.000 0.946 719 K CB 0.961 33.517 32.500 0.093 0.000 1.005 719 K HN 0.687 nan 8.250 nan 0.000 0.469 720 I N -1.197 119.494 120.570 0.202 0.000 2.499 720 I HA 0.283 4.453 4.170 -0.000 0.000 0.296 720 I C 0.952 177.132 176.117 0.104 0.000 0.992 720 I CA -0.347 61.060 61.300 0.179 0.000 1.297 720 I CB 1.828 39.897 38.000 0.114 0.000 1.410 720 I HN 0.541 nan 8.210 nan 0.000 0.507 721 A N 4.484 127.357 122.820 0.088 0.000 1.898 721 A HA 0.434 4.754 4.320 -0.000 0.000 0.214 721 A C 1.454 179.062 177.584 0.040 0.000 1.183 721 A CA 1.038 53.109 52.037 0.056 0.000 0.622 721 A CB -1.248 17.781 19.000 0.048 0.000 0.824 721 A HN 1.779 nan 8.150 nan 0.000 0.444 722 G N -1.954 106.869 108.800 0.037 0.000 2.681 722 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.220 722 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.220 722 G C -0.527 174.379 174.900 0.011 0.000 1.353 722 G CA -0.176 44.936 45.100 0.019 0.000 0.872 722 G HN 0.808 nan 8.290 nan 0.000 0.557 723 L N 0.022 121.247 121.223 0.004 0.000 2.354 723 L HA 0.765 5.105 4.340 -0.000 0.000 0.264 723 L C 1.031 177.900 176.870 -0.002 0.000 1.008 723 L CA -0.608 54.231 54.840 -0.002 0.000 0.819 723 L CB 1.909 43.964 42.059 -0.007 0.000 1.339 723 L HN 1.282 nan 8.230 nan 0.000 0.420 724 A N 1.049 123.867 122.820 -0.004 0.000 2.267 724 A HA 0.298 4.618 4.320 -0.000 0.000 0.271 724 A C 0.778 178.359 177.584 -0.006 0.000 1.131 724 A CA -0.112 51.923 52.037 -0.004 0.000 0.818 724 A CB 0.331 19.328 19.000 -0.005 0.000 1.118 724 A HN 0.830 nan 8.150 nan 0.000 0.501 725 E N 0.424 120.620 120.200 -0.005 0.000 2.012 725 E HA -0.083 4.267 4.350 -0.000 0.000 0.197 725 E C 1.837 178.432 176.600 -0.009 0.000 1.007 725 E CA 2.156 58.552 56.400 -0.006 0.000 0.816 725 E CB -0.647 29.050 29.700 -0.006 0.000 0.762 725 E HN 0.738 nan 8.360 nan 0.000 0.451 726 G N 0.086 108.880 108.800 -0.009 0.000 3.262 726 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.228 726 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.228 726 G C 0.059 174.952 174.900 -0.010 0.000 1.197 726 G CA -0.316 44.778 45.100 -0.010 0.000 0.819 726 G HN 0.040 nan 8.290 nan 0.000 0.531 727 Q N 0.934 120.727 119.800 -0.011 0.000 2.278 727 Q HA 0.473 4.813 4.340 -0.000 0.000 0.257 727 Q C -0.562 175.429 176.000 -0.015 0.000 0.928 727 Q CA -0.437 55.357 55.803 -0.015 0.000 0.932 727 Q CB 1.873 30.601 28.738 -0.017 0.000 1.221 727 Q HN 0.170 nan 8.270 nan 0.000 0.434 728 V N 0.634 120.537 119.914 -0.018 0.000 2.960 728 V HA 0.423 4.543 4.120 -0.000 0.000 0.315 728 V C 0.594 176.653 176.094 -0.058 0.000 1.087 728 V CA -0.782 61.510 62.300 -0.013 0.000 0.982 728 V CB 1.543 33.377 31.823 0.018 0.000 1.039 728 V HN 0.621 nan 8.190 nan 0.000 0.437 729 V N 1.045 120.911 119.914 -0.080 0.000 2.379 729 V HA 0.119 4.239 4.120 -0.000 0.000 0.245 729 V C 0.498 176.284 176.094 -0.514 0.000 1.044 729 V CA 1.642 63.774 62.300 -0.281 0.000 1.036 729 V CB -0.629 31.042 31.823 -0.253 0.000 0.664 729 V HN 0.750 nan 8.190 nan 0.000 0.453 730 F N -0.040 119.921 119.950 0.018 0.000 2.496 730 F HA 0.561 5.088 4.527 -0.000 0.000 0.341 730 F C 0.035 175.845 175.800 0.017 0.000 1.134 730 F CA -0.814 57.200 58.000 0.022 0.000 0.968 730 F CB 1.385 40.400 39.000 0.025 0.000 1.205 730 F HN -0.110 nan 8.300 nan 0.000 0.436 731 Q N 3.743 123.635 119.800 0.154 0.000 2.313 731 Q HA 0.230 4.569 4.340 -0.000 0.000 0.266 731 Q C -0.527 175.541 176.000 0.114 0.000 0.989 731 Q CA 0.015 55.877 55.803 0.097 0.000 0.890 731 Q CB 0.756 29.524 28.738 0.050 0.000 1.200 731 Q HN 0.465 nan 8.270 nan 0.000 0.396 732 K N 1.454 121.902 120.400 0.080 0.000 2.202 732 K HA 0.430 4.749 4.320 -0.000 0.000 0.264 732 K C -0.975 175.654 176.600 0.049 0.000 1.010 732 K CA -0.559 55.767 56.287 0.065 0.000 0.940 732 K CB 1.115 33.641 32.500 0.044 0.000 0.983 732 K HN 0.345 nan 8.250 nan 0.000 0.475 733 V N 1.605 121.551 119.914 0.054 0.000 2.604 733 V HA 0.292 4.412 4.120 -0.000 0.000 0.305 733 V C -0.272 175.845 176.094 0.039 0.000 1.043 733 V CA -0.857 61.472 62.300 0.048 0.000 0.888 733 V CB 1.891 33.773 31.823 0.099 0.000 0.995 733 V HN 0.971 nan 8.190 nan 0.000 0.429 734 T N 3.232 117.799 114.554 0.021 0.000 2.797 734 T HA 0.746 5.096 4.350 -0.000 0.000 0.279 734 T C -0.545 174.167 174.700 0.020 0.000 0.991 734 T CA -0.562 61.548 62.100 0.016 0.000 0.979 734 T CB 0.955 69.826 68.868 0.004 0.000 0.943 734 T HN 0.349 nan 8.240 nan 0.000 0.444 735 L N 4.176 125.416 121.223 0.028 0.000 2.439 735 L HA 0.474 4.813 4.340 -0.000 0.000 0.261 735 L C -0.800 176.077 176.870 0.010 0.000 1.153 735 L CA -1.819 53.040 54.840 0.032 0.000 0.808 735 L CB 0.212 42.293 42.059 0.037 0.000 1.126 735 L HN 0.680 nan 8.230 nan 0.000 0.460 736 P HA 0.000 nan 4.420 nan 0.000 0.216 736 P CA 0.000 63.099 63.100 -0.002 0.000 0.800 736 P CB 0.000 31.697 31.700 -0.005 0.000 0.726