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 2z5u_1_A DATA FIRST_RESID 172 DATA SEQUENCE SGVEGAAFQS RLPHDRMTSQ EAACFPDIIS GPQQTQKVFL FIRNRTLQLW DATA SEQUENCE LDNPKIQLTF EATLQQLEAP YNSDTVLVHR VHSYLERHGL INFGIYKRIK DATA SEQUENCE PLPTKKTGKV IIIGSGVSGL AAARQLQSFG MDVTLLEARD RVGGRVATFR DATA SEQUENCE KGNYVADLGA MVVTGLGGNP MAVVSKQVNM ELAKIKQKCP LYEANGQAVP DATA SEQUENCE KEKDEMVEQE FNRLLEATSY LSHQLDFNVL NNKPVSLGQA LEVVIQLQEK DATA SEQUENCE HVKDEQIEHW KKIVKTQEEL KELLNKMVNL KEKIKELHQQ YKEXXXXXXX DATA SEQUENCE XXITAEFLVK SKHRDLTALC KEYDELAETQ GKLEEKLQEL EANPPSDVYL DATA SEQUENCE SSRDRQILDW HFANLEFANA TPLSTLSLKH WDQDDDFEFT GSHLTVRNGY DATA SEQUENCE SCVPVALAEG LDIKLNTAVR QVRYTASGCE VIAVNTRSTS QTFIYKCDAV DATA SEQUENCE LCTLPLGVLK QQPPAVQFVP PLPEWKTSAV QRMGFGNLNK VVLCFDRVFW DATA SEQUENCE DPSVNLFGHV GSTTASRGEL FLFWNLYKAP ILLALVAGEA AGIMENISDD DATA SEQUENCE VIVGRCLAIL KGIFGSSAVP QPKETVVSRW RADPWARGSY SYVAAGSSGN DATA SEQUENCE DYDLMAQPIT PXXXXXXXXX PIPRLFFAGE HTIRNYPATV HGALLSGLRE DATA SEQUENCE AGRIADQFLG 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 172 S HA 0.000 nan 4.470 nan 0.000 0.327 172 S C 0.000 174.585 174.600 -0.025 0.000 1.055 172 S CA 0.000 58.182 58.200 -0.030 0.000 1.107 172 S CB 0.000 63.150 63.200 -0.084 0.000 0.593 173 G N 1.704 110.503 108.800 -0.001 0.000 2.424 173 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.214 173 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.214 173 G C 1.418 176.310 174.900 -0.012 0.000 1.202 173 G CA 1.165 46.261 45.100 -0.006 0.000 0.793 173 G HN 1.371 nan 8.290 nan 0.000 0.534 174 V N -0.959 118.949 119.914 -0.010 0.000 2.515 174 V HA -0.030 4.089 4.120 -0.001 0.000 0.250 174 V C 2.290 178.387 176.094 0.004 0.000 1.058 174 V CA 2.407 64.680 62.300 -0.045 0.000 1.064 174 V CB -0.536 31.227 31.823 -0.098 0.000 0.675 174 V HN 0.481 nan 8.190 nan 0.000 0.461 175 E N 1.522 121.728 120.200 0.010 0.000 2.072 175 E HA -0.088 4.262 4.350 -0.001 0.000 0.191 175 E C 2.228 178.824 176.600 -0.006 0.000 0.985 175 E CA 1.383 57.760 56.400 -0.038 0.000 0.801 175 E CB -0.595 28.977 29.700 -0.213 0.000 0.750 175 E HN 0.654 nan 8.360 nan 0.000 0.452 176 G N 0.437 109.234 108.800 -0.006 0.000 2.422 176 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.218 176 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.218 176 G C 1.598 176.565 174.900 0.112 0.000 1.140 176 G CA 0.724 45.853 45.100 0.049 0.000 0.775 176 G HN 0.390 nan 8.290 nan 0.000 0.545 177 A N 1.181 124.037 122.820 0.060 0.000 1.902 177 A HA 0.292 4.611 4.320 -0.001 0.000 0.217 177 A C 2.789 180.421 177.584 0.080 0.000 1.181 177 A CA 2.135 54.204 52.037 0.054 0.000 0.623 177 A CB -0.688 18.316 19.000 0.008 0.000 0.818 177 A HN 0.690 nan 8.150 nan 0.000 0.443 178 A N -1.249 121.630 122.820 0.097 0.000 1.898 178 A HA 0.006 4.325 4.320 -0.001 0.000 0.216 178 A C 2.035 179.702 177.584 0.138 0.000 1.181 178 A CA 1.512 53.617 52.037 0.114 0.000 0.620 178 A CB -0.697 18.398 19.000 0.158 0.000 0.819 178 A HN 0.631 nan 8.150 nan 0.000 0.442 179 F N 0.645 120.623 119.950 0.047 0.000 2.102 179 F HA -0.210 4.316 4.527 -0.001 0.000 0.298 179 F C 2.368 178.193 175.800 0.040 0.000 1.105 179 F CA 2.306 60.337 58.000 0.051 0.000 1.239 179 F CB -0.370 38.642 39.000 0.021 0.000 0.991 179 F HN 0.304 nan 8.300 nan 0.000 0.474 180 Q N 0.252 120.110 119.800 0.097 0.000 2.297 180 Q HA -0.121 4.219 4.340 -0.001 0.000 0.208 180 Q C 1.652 177.598 176.000 -0.090 0.000 0.981 180 Q CA 1.880 57.669 55.803 -0.023 0.000 0.876 180 Q CB -0.506 28.266 28.738 0.056 0.000 0.921 180 Q HN 0.341 nan 8.270 nan 0.000 0.446 181 S N -0.260 115.418 115.700 -0.037 0.000 2.577 181 S HA 0.233 4.702 4.470 -0.001 0.000 0.219 181 S C -0.351 174.222 174.600 -0.044 0.000 0.962 181 S CA -0.016 58.172 58.200 -0.019 0.000 0.921 181 S CB 0.096 63.319 63.200 0.038 0.000 0.789 181 S HN 0.457 nan 8.310 nan 0.000 0.497 182 R N 0.328 120.768 120.500 -0.100 0.000 3.532 182 R HA -0.133 4.207 4.340 -0.001 0.000 0.284 182 R C -1.144 175.188 176.300 0.053 0.000 1.140 182 R CA 0.443 56.523 56.100 -0.033 0.000 0.768 182 R CB -2.255 28.086 30.300 0.069 0.000 1.252 182 R HN 0.336 nan 8.270 nan 0.000 0.454 183 L N 0.535 121.791 121.223 0.056 0.000 2.381 183 L HA 0.595 4.934 4.340 -0.001 0.000 0.268 183 L C -2.038 174.916 176.870 0.140 0.000 0.997 183 L CA -2.411 52.487 54.840 0.098 0.000 0.818 183 L CB 2.096 44.207 42.059 0.085 0.000 1.310 183 L HN -0.198 nan 8.230 nan 0.000 0.416 184 P HA 0.047 nan 4.420 nan 0.000 0.276 184 P C 0.043 177.431 177.300 0.147 0.000 1.243 184 P CA -0.083 63.116 63.100 0.166 0.000 0.768 184 P CB 0.568 32.331 31.700 0.105 0.000 0.856 185 H N 3.364 122.490 119.070 0.093 0.000 2.491 185 H HA -0.082 4.474 4.556 -0.001 0.000 0.290 185 H C 0.381 175.747 175.328 0.064 0.000 1.050 185 H CA 1.355 57.445 56.048 0.070 0.000 1.309 185 H CB -0.305 29.502 29.762 0.075 0.000 1.392 185 H HN 0.371 nan 8.280 nan 0.000 0.554 186 D N 0.307 120.333 120.400 -0.624 0.000 2.440 186 D HA 0.076 4.715 4.640 -0.001 0.000 0.216 186 D C 0.435 176.637 176.300 -0.164 0.000 1.150 186 D CA -0.464 53.260 54.000 -0.459 0.000 0.832 186 D CB 0.315 40.742 40.800 -0.622 0.000 0.992 186 D HN 0.606 nan 8.370 nan 0.000 0.502 187 R N -0.893 119.559 120.500 -0.079 0.000 2.643 187 R HA 0.495 4.834 4.340 -0.001 0.000 0.269 187 R C -0.978 175.333 176.300 0.019 0.000 1.037 187 R CA -0.885 55.202 56.100 -0.021 0.000 0.894 187 R CB 0.954 31.242 30.300 -0.020 0.000 1.238 187 R HN -0.177 nan 8.270 nan 0.000 0.459 188 M N 2.469 122.078 119.600 0.015 0.000 2.233 188 M HA 0.179 4.659 4.480 -0.001 0.000 0.350 188 M C 0.550 176.857 176.300 0.011 0.000 1.176 188 M CA -0.135 55.175 55.300 0.017 0.000 1.150 188 M CB 1.473 34.023 32.600 -0.083 0.000 1.530 188 M HN 0.874 nan 8.290 nan 0.000 0.459 189 T N -1.419 113.154 114.554 0.032 0.000 2.788 189 T HA 0.195 4.544 4.350 -0.001 0.000 0.280 189 T C 1.240 175.952 174.700 0.020 0.000 0.984 189 T CA -0.340 61.785 62.100 0.041 0.000 0.972 189 T CB 0.868 69.780 68.868 0.073 0.000 1.039 189 T HN 0.773 nan 8.240 nan 0.000 0.530 190 S N -0.129 115.589 115.700 0.030 0.000 2.402 190 S HA -0.171 4.298 4.470 -0.001 0.000 0.229 190 S C 1.958 176.575 174.600 0.029 0.000 1.021 190 S CA 0.637 58.849 58.200 0.020 0.000 0.974 190 S CB -0.728 62.487 63.200 0.025 0.000 0.800 190 S HN 0.716 nan 8.310 nan 0.000 0.484 191 Q N 1.146 120.980 119.800 0.057 0.000 2.020 191 Q HA -0.138 4.202 4.340 -0.001 0.000 0.202 191 Q C 2.286 178.321 176.000 0.059 0.000 0.982 191 Q CA 1.820 57.678 55.803 0.090 0.000 0.838 191 Q CB -0.286 28.539 28.738 0.145 0.000 0.899 191 Q HN 0.766 nan 8.270 nan 0.000 0.423 192 E N 0.380 120.580 120.200 0.001 0.000 2.153 192 E HA -0.153 4.196 4.350 -0.001 0.000 0.194 192 E C 1.863 178.429 176.600 -0.057 0.000 0.988 192 E CA 0.791 57.124 56.400 -0.112 0.000 0.811 192 E CB -0.088 29.519 29.700 -0.154 0.000 0.746 192 E HN 0.310 nan 8.360 nan 0.000 0.466 193 A N 1.560 124.343 122.820 -0.063 0.000 1.898 193 A HA -0.075 4.244 4.320 -0.001 0.000 0.216 193 A C 2.399 179.960 177.584 -0.037 0.000 1.181 193 A CA 1.560 53.556 52.037 -0.069 0.000 0.620 193 A CB -0.535 18.434 19.000 -0.051 0.000 0.819 193 A HN 0.290 nan 8.150 nan 0.000 0.442 194 A N -1.283 121.528 122.820 -0.014 0.000 1.930 194 A HA -0.115 4.205 4.320 -0.001 0.000 0.217 194 A C 2.147 179.703 177.584 -0.046 0.000 1.175 194 A CA 1.652 53.680 52.037 -0.015 0.000 0.627 194 A CB -0.974 18.035 19.000 0.014 0.000 0.815 194 A HN 0.603 nan 8.150 nan 0.000 0.443 195 C N -2.373 116.894 119.300 -0.055 0.000 2.563 195 C HA 0.288 4.748 4.460 -0.001 0.000 0.268 195 C C 0.436 175.082 174.990 -0.573 0.000 1.365 195 C CA -0.124 58.748 59.018 -0.244 0.000 1.754 195 C CB -1.291 26.330 27.740 -0.198 0.000 1.932 195 C HN 0.503 nan 8.230 nan 0.000 0.536 196 F N 1.033 120.851 119.950 -0.220 0.000 2.577 196 F HA 0.283 4.809 4.527 -0.001 0.000 0.342 196 F C -1.365 174.299 175.800 -0.228 0.000 1.479 196 F CA -2.074 55.774 58.000 -0.253 0.000 1.110 196 F CB 0.012 38.728 39.000 -0.474 0.000 1.306 196 F HN 0.027 nan 8.300 nan 0.000 0.554 197 P HA -0.179 nan 4.420 nan 0.000 0.225 197 P C 0.919 178.193 177.300 -0.043 0.000 1.148 197 P CA 1.473 64.542 63.100 -0.051 0.000 0.779 197 P CB 0.217 31.886 31.700 -0.052 0.000 0.780 198 D N -0.321 120.062 120.400 -0.029 0.000 2.277 198 D HA -0.062 4.578 4.640 -0.001 0.000 0.208 198 D C 1.957 178.246 176.300 -0.019 0.000 0.962 198 D CA 0.495 54.486 54.000 -0.016 0.000 0.865 198 D CB -0.642 40.158 40.800 0.001 0.000 0.939 198 D HN 0.260 nan 8.370 nan 0.000 0.510 199 I N 0.151 120.694 120.570 -0.044 0.000 2.494 199 I HA -0.095 4.074 4.170 -0.001 0.000 0.250 199 I C 2.470 178.515 176.117 -0.119 0.000 1.112 199 I CA 0.023 61.266 61.300 -0.096 0.000 1.438 199 I CB 0.073 37.927 38.000 -0.244 0.000 1.111 199 I HN -0.080 nan 8.210 nan 0.000 0.431 200 I N 1.265 121.752 120.570 -0.139 0.000 2.179 200 I HA -0.166 4.003 4.170 -0.001 0.000 0.242 200 I C 1.562 177.640 176.117 -0.065 0.000 1.088 200 I CA 1.646 62.878 61.300 -0.114 0.000 1.357 200 I CB -0.300 37.634 38.000 -0.110 0.000 1.051 200 I HN 0.197 nan 8.210 nan 0.000 0.409 201 S N 0.906 116.576 115.700 -0.051 0.000 3.334 201 S HA 0.649 5.118 4.470 -0.001 0.000 0.188 201 S C 0.081 174.666 174.600 -0.025 0.000 1.404 201 S CA -0.084 58.096 58.200 -0.033 0.000 1.040 201 S CB -0.107 63.076 63.200 -0.029 0.000 1.352 201 S HN 0.564 nan 8.310 nan 0.000 0.501 202 G N 1.353 110.139 108.800 -0.023 0.000 2.489 202 G HA2 0.566 4.526 3.960 -0.001 0.000 0.305 202 G HA3 0.566 4.526 3.960 -0.001 0.000 0.305 202 G C -3.428 171.467 174.900 -0.007 0.000 1.311 202 G CA -1.187 43.906 45.100 -0.012 0.000 0.813 202 G HN 0.236 nan 8.290 nan 0.000 0.480 203 P HA 0.064 nan 4.420 nan 0.000 0.257 203 P C 0.664 177.969 177.300 0.009 0.000 1.162 203 P CA 0.354 63.459 63.100 0.008 0.000 0.762 203 P CB 0.778 32.487 31.700 0.016 0.000 0.753 204 Q N 3.304 123.108 119.800 0.007 0.000 2.364 204 Q HA -0.251 4.089 4.340 -0.001 0.000 0.207 204 Q C 1.737 177.752 176.000 0.026 0.000 0.970 204 Q CA 1.336 57.145 55.803 0.009 0.000 0.888 204 Q CB -0.454 28.288 28.738 0.005 0.000 0.951 204 Q HN 0.280 nan 8.270 nan 0.000 0.469 205 Q N 0.883 120.701 119.800 0.029 0.000 2.167 205 Q HA -0.072 4.267 4.340 -0.001 0.000 0.202 205 Q C 1.557 177.597 176.000 0.066 0.000 0.970 205 Q CA 2.350 58.178 55.803 0.041 0.000 0.855 205 Q CB -0.666 28.091 28.738 0.031 0.000 0.911 205 Q HN 0.498 nan 8.270 nan 0.000 0.438 206 T N 0.565 115.157 114.554 0.062 0.000 2.951 206 T HA -0.088 4.261 4.350 -0.001 0.000 0.268 206 T C 1.538 176.309 174.700 0.117 0.000 1.073 206 T CA 1.235 63.389 62.100 0.090 0.000 1.134 206 T CB -0.066 68.844 68.868 0.069 0.000 0.884 206 T HN 0.421 nan 8.240 nan 0.000 0.479 207 Q N 0.686 120.531 119.800 0.076 0.000 2.079 207 Q HA -0.077 4.262 4.340 -0.001 0.000 0.200 207 Q C 2.353 178.444 176.000 0.152 0.000 0.974 207 Q CA 1.160 57.014 55.803 0.083 0.000 0.840 207 Q CB -0.156 28.591 28.738 0.014 0.000 0.898 207 Q HN 0.256 nan 8.270 nan 0.000 0.430 208 K N 0.673 121.141 120.400 0.114 0.000 2.063 208 K HA -0.147 4.172 4.320 -0.001 0.000 0.208 208 K C 1.780 178.484 176.600 0.174 0.000 1.048 208 K CA 1.272 57.631 56.287 0.120 0.000 0.928 208 K CB -0.399 32.155 32.500 0.090 0.000 0.713 208 K HN 0.018 nan 8.250 nan 0.000 0.442 209 V N 0.766 120.802 119.914 0.204 0.000 2.427 209 V HA -0.174 3.945 4.120 -0.001 0.000 0.248 209 V C 2.050 178.271 176.094 0.212 0.000 1.051 209 V CA 1.870 64.336 62.300 0.277 0.000 1.048 209 V CB -0.656 31.339 31.823 0.287 0.000 0.666 209 V HN 0.361 nan 8.190 nan 0.000 0.456 210 F N 0.547 120.519 119.950 0.037 0.000 2.075 210 F HA -0.186 4.341 4.527 -0.001 0.000 0.297 210 F C 2.075 177.820 175.800 -0.091 0.000 1.113 210 F CA 1.779 59.737 58.000 -0.069 0.000 1.218 210 F CB -0.300 38.606 39.000 -0.156 0.000 0.984 210 F HN 0.019 nan 8.300 nan 0.000 0.472 211 L N -0.928 120.309 121.223 0.023 0.000 2.042 211 L HA -0.232 4.107 4.340 -0.001 0.000 0.210 211 L C 2.460 179.249 176.870 -0.134 0.000 1.076 211 L CA 1.576 56.369 54.840 -0.077 0.000 0.749 211 L CB -0.924 41.174 42.059 0.065 0.000 0.893 211 L HN 0.250 nan 8.230 nan 0.000 0.432 212 F N 0.577 120.415 119.950 -0.186 0.000 2.146 212 F HA -0.224 4.302 4.527 -0.001 0.000 0.298 212 F C 2.361 177.958 175.800 -0.339 0.000 1.096 212 F CA 1.315 59.158 58.000 -0.261 0.000 1.275 212 F CB -0.012 38.760 39.000 -0.379 0.000 1.008 212 F HN -0.113 nan 8.300 nan 0.000 0.480 213 I N 0.513 120.883 120.570 -0.334 0.000 2.179 213 I HA -0.266 3.903 4.170 -0.001 0.000 0.242 213 I C 2.621 178.493 176.117 -0.407 0.000 1.088 213 I CA 1.333 62.421 61.300 -0.353 0.000 1.357 213 I CB -1.347 36.543 38.000 -0.184 0.000 1.051 213 I HN 0.206 nan 8.210 nan 0.000 0.409 214 R N 1.545 121.741 120.500 -0.507 0.000 2.070 214 R HA -0.183 4.157 4.340 -0.001 0.000 0.233 214 R C 1.872 177.994 176.300 -0.296 0.000 1.137 214 R CA 1.762 57.595 56.100 -0.446 0.000 0.945 214 R CB -0.381 29.534 30.300 -0.643 0.000 0.845 214 R HN 0.373 nan 8.270 nan 0.000 0.430 215 N N 0.784 119.302 118.700 -0.305 0.000 2.166 215 N HA -0.179 4.560 4.740 -0.001 0.000 0.186 215 N C 1.873 177.206 175.510 -0.295 0.000 1.019 215 N CA 1.143 54.056 53.050 -0.228 0.000 0.856 215 N CB -0.396 37.988 38.487 -0.173 0.000 0.993 215 N HN 0.158 nan 8.380 nan 0.000 0.426 216 R N 0.648 120.840 120.500 -0.514 0.000 2.090 216 R HA 0.076 4.415 4.340 -0.001 0.000 0.228 216 R C 1.884 178.046 176.300 -0.230 0.000 1.110 216 R CA 1.444 57.251 56.100 -0.487 0.000 0.973 216 R CB -0.831 28.981 30.300 -0.812 0.000 0.869 216 R HN 0.122 nan 8.270 nan 0.000 0.440 217 T N 0.962 115.406 114.554 -0.183 0.000 2.821 217 T HA -0.059 4.290 4.350 -0.001 0.000 0.267 217 T C 1.693 176.402 174.700 0.014 0.000 1.046 217 T CA 1.386 63.457 62.100 -0.048 0.000 1.139 217 T CB -0.151 68.699 68.868 -0.029 0.000 0.871 217 T HN 0.132 nan 8.240 nan 0.000 0.454 218 L N 0.803 122.019 121.223 -0.011 0.000 2.046 218 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 218 L C 2.928 179.856 176.870 0.096 0.000 1.077 218 L CA 1.368 56.257 54.840 0.082 0.000 0.747 218 L CB -0.550 41.535 42.059 0.044 0.000 0.896 218 L HN 0.308 nan 8.230 nan 0.000 0.432 219 Q N 0.473 120.274 119.800 0.001 0.000 2.050 219 Q HA -0.216 4.123 4.340 -0.001 0.000 0.202 219 Q C 2.380 178.373 176.000 -0.013 0.000 0.980 219 Q CA 1.546 57.337 55.803 -0.021 0.000 0.840 219 Q CB -0.075 28.624 28.738 -0.065 0.000 0.898 219 Q HN 0.498 nan 8.270 nan 0.000 0.424 220 L N -0.055 121.173 121.223 0.009 0.000 2.042 220 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 220 L C 2.437 179.342 176.870 0.058 0.000 1.076 220 L CA 1.444 56.300 54.840 0.026 0.000 0.749 220 L CB -0.717 41.371 42.059 0.048 0.000 0.893 220 L HN 0.570 nan 8.230 nan 0.000 0.432 221 W N 0.891 122.151 121.300 -0.067 0.000 2.407 221 W HA -0.139 4.520 4.660 -0.001 0.000 0.305 221 W C 1.980 178.439 176.519 -0.100 0.000 1.196 221 W CA 0.944 58.234 57.345 -0.093 0.000 1.311 221 W CB -0.163 29.238 29.460 -0.099 0.000 1.135 221 W HN 0.076 nan 8.180 nan 0.000 0.514 222 L N 1.038 122.080 121.223 -0.303 0.000 2.201 222 L HA -0.207 4.133 4.340 -0.001 0.000 0.212 222 L C 1.886 178.553 176.870 -0.338 0.000 1.105 222 L CA 1.390 55.989 54.840 -0.402 0.000 0.775 222 L CB -0.828 41.163 42.059 -0.113 0.000 0.913 222 L HN -0.167 nan 8.230 nan 0.000 0.440 223 D N -0.506 119.759 120.400 -0.226 0.000 2.312 223 D HA -0.075 4.564 4.640 -0.001 0.000 0.211 223 D C 0.636 176.810 176.300 -0.210 0.000 0.964 223 D CA 0.872 54.768 54.000 -0.172 0.000 0.877 223 D CB -0.038 40.702 40.800 -0.101 0.000 0.924 223 D HN 0.110 nan 8.370 nan 0.000 0.515 224 N N -0.519 117.998 118.700 -0.305 0.000 2.732 224 N HA 0.080 4.820 4.740 -0.001 0.000 0.235 224 N C -2.450 172.751 175.510 -0.515 0.000 1.466 224 N CA -1.128 51.744 53.050 -0.297 0.000 0.751 224 N CB 1.206 39.598 38.487 -0.159 0.000 1.317 224 N HN -0.173 nan 8.380 nan 0.000 0.525 225 P HA 0.006 nan 4.420 nan 0.000 0.242 225 P C 0.345 177.274 177.300 -0.617 0.000 1.197 225 P CA 0.571 62.900 63.100 -1.285 0.000 0.765 225 P CB 0.405 31.424 31.700 -1.134 0.000 0.936 226 K N -0.965 119.266 120.400 -0.281 0.000 2.426 226 K HA 0.157 4.477 4.320 -0.001 0.000 0.193 226 K C 0.931 177.586 176.600 0.092 0.000 1.028 226 K CA 0.133 56.390 56.287 -0.050 0.000 1.047 226 K CB 0.428 32.895 32.500 -0.055 0.000 0.821 226 K HN 0.190 nan 8.250 nan 0.000 0.513 227 I N 1.385 121.996 120.570 0.068 0.000 2.608 227 I HA 0.099 4.268 4.170 -0.001 0.000 0.295 227 I C -0.786 175.471 176.117 0.235 0.000 1.049 227 I CA -0.796 60.605 61.300 0.168 0.000 1.063 227 I CB 2.011 40.059 38.000 0.080 0.000 1.248 227 I HN 0.082 nan 8.210 nan 0.000 0.424 228 Q N 5.253 125.231 119.800 0.297 0.000 2.330 228 Q HA 0.076 4.415 4.340 -0.001 0.000 0.279 228 Q C -1.369 174.717 176.000 0.144 0.000 1.024 228 Q CA -0.172 55.718 55.803 0.145 0.000 0.900 228 Q CB 0.873 29.786 28.738 0.292 0.000 1.221 228 Q HN 0.534 nan 8.270 nan 0.000 0.396 229 L N 5.365 126.663 121.223 0.124 0.000 2.259 229 L HA 0.317 4.656 4.340 -0.001 0.000 0.288 229 L C -0.356 176.679 176.870 0.275 0.000 1.051 229 L CA 0.034 54.993 54.840 0.198 0.000 0.824 229 L CB 0.969 43.175 42.059 0.246 0.000 1.206 229 L HN 0.785 nan 8.230 nan 0.000 0.429 230 T N 0.963 115.626 114.554 0.181 0.000 2.816 230 T HA 0.161 4.510 4.350 -0.001 0.000 0.282 230 T C 0.987 175.606 174.700 -0.136 0.000 0.993 230 T CA -0.215 61.953 62.100 0.115 0.000 0.994 230 T CB 0.499 69.404 68.868 0.060 0.000 1.025 230 T HN 0.462 nan 8.240 nan 0.000 0.529 231 F N 0.698 120.295 119.950 -0.588 0.000 2.134 231 F HA 0.002 4.528 4.527 -0.001 0.000 0.299 231 F C 2.332 177.981 175.800 -0.251 0.000 1.097 231 F CA 1.811 59.350 58.000 -0.768 0.000 1.264 231 F CB -0.644 38.094 39.000 -0.437 0.000 1.001 231 F HN 0.904 nan 8.300 nan 0.000 0.479 232 E N 0.318 120.242 120.200 -0.459 0.000 2.058 232 E HA -0.213 4.136 4.350 -0.001 0.000 0.194 232 E C 2.255 178.687 176.600 -0.279 0.000 0.997 232 E CA 1.270 57.397 56.400 -0.454 0.000 0.801 232 E CB -0.420 29.160 29.700 -0.200 0.000 0.746 232 E HN 0.452 nan 8.360 nan 0.000 0.450 233 A N 0.130 122.862 122.820 -0.146 0.000 1.969 233 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 233 A C 2.318 179.868 177.584 -0.057 0.000 1.169 233 A CA 1.764 53.760 52.037 -0.068 0.000 0.635 233 A CB -0.698 18.300 19.000 -0.004 0.000 0.810 233 A HN 0.341 nan 8.150 nan 0.000 0.445 234 T N 0.053 114.567 114.554 -0.067 0.000 2.777 234 T HA -0.115 4.235 4.350 -0.001 0.000 0.266 234 T C 1.805 176.482 174.700 -0.038 0.000 1.040 234 T CA 1.469 63.568 62.100 -0.000 0.000 1.141 234 T CB -0.318 68.609 68.868 0.097 0.000 0.868 234 T HN 0.289 nan 8.240 nan 0.000 0.444 235 L N 1.202 122.331 121.223 -0.157 0.000 2.083 235 L HA -0.040 4.299 4.340 -0.001 0.000 0.209 235 L C 2.307 179.136 176.870 -0.067 0.000 1.083 235 L CA 1.734 56.492 54.840 -0.136 0.000 0.752 235 L CB -0.576 41.279 42.059 -0.340 0.000 0.899 235 L HN 0.249 nan 8.230 nan 0.000 0.433 236 Q N -1.392 118.358 119.800 -0.083 0.000 2.472 236 Q HA -0.101 4.239 4.340 -0.001 0.000 0.208 236 Q C 1.585 177.582 176.000 -0.004 0.000 0.958 236 Q CA 0.671 56.450 55.803 -0.040 0.000 0.932 236 Q CB 0.133 28.842 28.738 -0.049 0.000 1.007 236 Q HN 0.649 nan 8.270 nan 0.000 0.508 237 Q N -0.456 119.348 119.800 0.006 0.000 2.281 237 Q HA 0.207 4.547 4.340 -0.001 0.000 0.215 237 Q C -0.142 175.892 176.000 0.058 0.000 0.867 237 Q CA -0.162 55.657 55.803 0.026 0.000 0.940 237 Q CB 0.877 29.626 28.738 0.018 0.000 1.111 237 Q HN 0.260 nan 8.270 nan 0.000 0.513 238 L N 3.009 124.279 121.223 0.078 0.000 2.349 238 L HA 0.113 4.452 4.340 -0.001 0.000 0.275 238 L C 0.629 177.614 176.870 0.192 0.000 1.115 238 L CA -0.512 54.420 54.840 0.152 0.000 0.820 238 L CB 0.598 42.765 42.059 0.179 0.000 1.135 238 L HN 0.185 nan 8.230 nan 0.000 0.445 239 E N 2.909 123.275 120.200 0.276 0.000 2.349 239 E HA 0.384 4.734 4.350 -0.001 0.000 0.262 239 E C -0.357 176.372 176.600 0.215 0.000 1.088 239 E CA -0.728 55.804 56.400 0.221 0.000 0.899 239 E CB 0.976 30.808 29.700 0.221 0.000 1.044 239 E HN 0.519 nan 8.360 nan 0.000 0.420 240 A N 2.386 125.250 122.820 0.074 0.000 2.425 240 A HA 0.240 4.560 4.320 -0.001 0.000 0.242 240 A C -1.308 176.154 177.584 -0.203 0.000 1.077 240 A CA -0.836 51.182 52.037 -0.031 0.000 0.781 240 A CB -0.246 18.732 19.000 -0.038 0.000 1.020 240 A HN 0.672 nan 8.150 nan 0.000 0.494 241 P HA 0.007 nan 4.420 nan 0.000 0.255 241 P C 0.307 177.489 177.300 -0.198 0.000 1.248 241 P CA 0.627 63.559 63.100 -0.280 0.000 0.807 241 P CB -0.001 31.523 31.700 -0.293 0.000 1.150 242 Y N 2.654 122.991 120.300 0.062 0.000 2.207 242 Y HA -0.203 4.346 4.550 -0.001 0.000 0.287 242 Y C 2.210 178.171 175.900 0.101 0.000 1.156 242 Y CA 1.847 60.012 58.100 0.109 0.000 1.182 242 Y CB -2.060 36.517 38.460 0.195 0.000 0.979 242 Y HN 0.228 nan 8.280 nan 0.000 0.521 243 N N -1.202 117.626 118.700 0.213 0.000 2.609 243 N HA -0.090 4.649 4.740 -0.001 0.000 0.190 243 N C 1.281 176.847 175.510 0.094 0.000 1.157 243 N CA 0.841 53.972 53.050 0.136 0.000 0.918 243 N CB -0.197 38.346 38.487 0.093 0.000 0.978 243 N HN 0.084 nan 8.380 nan 0.000 0.448 244 S N -0.029 115.721 115.700 0.084 0.000 2.492 244 S HA -0.030 4.439 4.470 -0.001 0.000 0.218 244 S C 0.419 175.072 174.600 0.089 0.000 1.016 244 S CA -0.012 58.226 58.200 0.063 0.000 0.916 244 S CB 0.128 63.344 63.200 0.028 0.000 0.791 244 S HN 0.291 nan 8.310 nan 0.000 0.513 245 D N 2.174 122.648 120.400 0.123 0.000 2.845 245 D HA 0.189 4.828 4.640 -0.001 0.000 0.235 245 D C 0.822 177.233 176.300 0.186 0.000 1.158 245 D CA 0.081 54.167 54.000 0.144 0.000 0.990 245 D CB 0.054 40.952 40.800 0.163 0.000 1.094 245 D HN 0.093 nan 8.370 nan 0.000 0.486 246 T N -0.278 114.384 114.554 0.181 0.000 2.649 246 T HA -0.174 4.175 4.350 -0.001 0.000 0.268 246 T C 2.068 176.948 174.700 0.300 0.000 1.036 246 T CA 1.198 63.453 62.100 0.258 0.000 1.157 246 T CB 0.118 69.112 68.868 0.211 0.000 0.861 246 T HN 0.210 nan 8.240 nan 0.000 0.445 247 V N 1.133 121.163 119.914 0.194 0.000 2.358 247 V HA -0.075 4.045 4.120 -0.001 0.000 0.246 247 V C 2.393 178.608 176.094 0.202 0.000 1.047 247 V CA 1.260 63.652 62.300 0.153 0.000 1.035 247 V CB -0.597 31.286 31.823 0.100 0.000 0.658 247 V HN 0.434 nan 8.190 nan 0.000 0.452 248 L N -0.183 121.169 121.223 0.216 0.000 2.027 248 L HA -0.143 4.197 4.340 -0.001 0.000 0.206 248 L C 2.483 179.508 176.870 0.258 0.000 1.074 248 L CA 1.600 56.589 54.840 0.248 0.000 0.745 248 L CB -0.172 42.025 42.059 0.230 0.000 0.898 248 L HN 0.207 nan 8.230 nan 0.000 0.433 249 V N -0.467 119.611 119.914 0.273 0.000 2.332 249 V HA -0.369 3.751 4.120 -0.001 0.000 0.248 249 V C 2.557 178.844 176.094 0.321 0.000 1.055 249 V CA 2.170 64.652 62.300 0.304 0.000 1.038 249 V CB -1.055 30.997 31.823 0.382 0.000 0.651 249 V HN 0.600 nan 8.190 nan 0.000 0.450 250 H N 0.773 119.919 119.070 0.127 0.000 2.353 250 H HA -0.106 4.449 4.556 -0.001 0.000 0.300 250 H C 2.569 177.864 175.328 -0.054 0.000 1.090 250 H CA 1.911 57.740 56.048 -0.365 0.000 1.327 250 H CB 0.105 29.360 29.762 -0.844 0.000 1.383 250 H HN 0.355 nan 8.280 nan 0.000 0.508 251 R N -0.157 120.447 120.500 0.172 0.000 2.096 251 R HA -0.075 4.264 4.340 -0.001 0.000 0.235 251 R C 2.590 179.128 176.300 0.398 0.000 1.127 251 R CA 1.268 57.528 56.100 0.265 0.000 0.968 251 R CB 0.004 30.542 30.300 0.397 0.000 0.861 251 R HN 0.153 nan 8.270 nan 0.000 0.440 252 V N 0.206 120.313 119.914 0.321 0.000 2.379 252 V HA -0.221 3.899 4.120 -0.001 0.000 0.245 252 V C 2.372 178.577 176.094 0.185 0.000 1.044 252 V CA 1.624 64.051 62.300 0.211 0.000 1.036 252 V CB -0.702 31.070 31.823 -0.085 0.000 0.664 252 V HN 0.428 nan 8.190 nan 0.000 0.453 253 H N 0.378 119.471 119.070 0.038 0.000 2.387 253 H HA -0.120 4.435 4.556 -0.001 0.000 0.299 253 H C 2.387 177.679 175.328 -0.060 0.000 1.090 253 H CA 1.976 58.023 56.048 -0.002 0.000 1.332 253 H CB 0.107 29.899 29.762 0.050 0.000 1.386 253 H HN 0.405 nan 8.280 nan 0.000 0.516 254 S N -0.074 115.615 115.700 -0.019 0.000 2.368 254 S HA -0.155 4.314 4.470 -0.001 0.000 0.224 254 S C 1.936 176.539 174.600 0.005 0.000 1.029 254 S CA 1.149 59.296 58.200 -0.088 0.000 0.988 254 S CB -0.553 62.524 63.200 -0.205 0.000 0.838 254 S HN 0.590 nan 8.310 nan 0.000 0.462 255 Y N 2.358 122.688 120.300 0.050 0.000 2.114 255 Y HA -0.099 4.450 4.550 -0.001 0.000 0.284 255 Y C 1.913 177.884 175.900 0.118 0.000 1.143 255 Y CA 1.394 59.590 58.100 0.160 0.000 1.135 255 Y CB -0.468 38.196 38.460 0.341 0.000 0.980 255 Y HN 0.107 nan 8.280 nan 0.000 0.499 256 L N 0.365 121.572 121.223 -0.027 0.000 2.012 256 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 256 L C 2.613 179.337 176.870 -0.243 0.000 1.073 256 L CA 2.117 56.849 54.840 -0.180 0.000 0.748 256 L CB -0.703 41.279 42.059 -0.128 0.000 0.891 256 L HN 0.378 nan 8.230 nan 0.000 0.431 257 E N 0.310 120.346 120.200 -0.273 0.000 2.072 257 E HA -0.283 4.066 4.350 -0.001 0.000 0.191 257 E C 2.298 178.847 176.600 -0.086 0.000 0.985 257 E CA 1.038 57.301 56.400 -0.228 0.000 0.801 257 E CB 0.070 29.615 29.700 -0.257 0.000 0.750 257 E HN 0.146 nan 8.360 nan 0.000 0.452 258 R N 0.448 120.841 120.500 -0.179 0.000 2.096 258 R HA -0.119 4.220 4.340 -0.001 0.000 0.235 258 R C 1.452 177.599 176.300 -0.256 0.000 1.127 258 R CA 1.868 57.776 56.100 -0.320 0.000 0.968 258 R CB -0.513 29.574 30.300 -0.354 0.000 0.861 258 R HN 0.397 nan 8.270 nan 0.000 0.440 259 H N -1.205 117.697 119.070 -0.279 0.000 2.524 259 H HA 0.224 4.779 4.556 -0.001 0.000 0.280 259 H C 0.528 175.727 175.328 -0.215 0.000 1.018 259 H CA 0.459 56.349 56.048 -0.264 0.000 1.165 259 H CB 0.348 29.834 29.762 -0.459 0.000 1.411 259 H HN 0.505 nan 8.280 nan 0.000 0.569 260 G N 1.528 110.276 108.800 -0.088 0.000 2.179 260 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.257 260 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.257 260 G C 1.007 175.718 174.900 -0.316 0.000 1.010 260 G CA 0.411 45.409 45.100 -0.169 0.000 0.736 260 G HN 0.425 nan 8.290 nan 0.000 0.513 261 L N -0.494 120.596 121.223 -0.221 0.000 2.375 261 L HA 0.386 4.725 4.340 -0.001 0.000 0.215 261 L C 1.609 178.417 176.870 -0.104 0.000 1.108 261 L CA 1.004 55.747 54.840 -0.162 0.000 0.830 261 L CB -0.107 41.885 42.059 -0.111 0.000 0.959 261 L HN 0.632 nan 8.230 nan 0.000 0.457 262 I N -5.620 114.728 120.570 -0.370 0.000 2.969 262 I HA 0.443 4.613 4.170 -0.001 0.000 0.307 262 I C -0.816 174.598 176.117 -1.172 0.000 1.149 262 I CA -0.977 59.648 61.300 -1.124 0.000 1.008 262 I CB 1.893 39.420 38.000 -0.789 0.000 1.232 262 I HN -0.115 nan 8.210 nan 0.000 0.435 263 N N 2.649 119.958 118.700 -2.319 0.000 2.696 263 N HA -0.211 4.529 4.740 -0.001 0.000 0.256 263 N C -1.127 174.018 175.510 -0.608 0.000 1.031 263 N CA 1.501 53.586 53.050 -1.609 0.000 0.730 263 N CB -1.285 36.714 38.487 -0.813 0.000 0.894 263 N HN 0.735 nan 8.380 nan 0.000 0.544 264 F N -2.874 116.784 119.950 -0.486 0.000 2.631 264 F HA 0.872 5.398 4.527 -0.001 0.000 0.328 264 F C 1.122 177.118 175.800 0.326 0.000 1.067 264 F CA 0.026 58.037 58.000 0.018 0.000 0.969 264 F CB 0.944 39.912 39.000 -0.054 0.000 1.332 264 F HN 0.235 nan 8.300 nan 0.000 0.490 265 G N 1.153 110.196 108.800 0.405 0.000 2.509 265 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.259 265 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.259 265 G C -1.118 173.894 174.900 0.187 0.000 1.169 265 G CA -0.158 45.094 45.100 0.253 0.000 0.953 265 G HN 1.001 nan 8.290 nan 0.000 0.563 266 I N 1.638 122.298 120.570 0.149 0.000 2.410 266 I HA 0.671 4.840 4.170 -0.001 0.000 0.286 266 I C -0.229 175.953 176.117 0.109 0.000 1.009 266 I CA -0.804 60.505 61.300 0.015 0.000 1.111 266 I CB 1.463 39.459 38.000 -0.007 0.000 1.262 266 I HN 0.762 nan 8.210 nan 0.000 0.443 267 Y N 3.246 123.573 120.300 0.045 0.000 2.638 267 Y HA 0.557 5.107 4.550 -0.001 0.000 0.335 267 Y C -1.073 174.855 175.900 0.046 0.000 1.155 267 Y CA -1.591 56.544 58.100 0.058 0.000 1.046 267 Y CB 0.907 39.466 38.460 0.165 0.000 1.303 267 Y HN 0.207 nan 8.280 nan 0.000 0.460 268 K N 2.419 122.928 120.400 0.182 0.000 2.339 268 K HA 0.288 4.608 4.320 -0.001 0.000 0.286 268 K C -0.521 176.198 176.600 0.199 0.000 1.050 268 K CA -0.409 55.940 56.287 0.104 0.000 0.956 268 K CB 0.822 33.373 32.500 0.086 0.000 0.990 268 K HN 0.686 nan 8.250 nan 0.000 0.475 269 R N 3.333 123.893 120.500 0.100 0.000 2.265 269 R HA 0.101 4.440 4.340 -0.001 0.000 0.314 269 R C 1.530 177.898 176.300 0.114 0.000 1.053 269 R CA -0.246 55.942 56.100 0.147 0.000 0.931 269 R CB 0.544 30.887 30.300 0.071 0.000 1.024 269 R HN 0.600 nan 8.270 nan 0.000 0.457 270 I N -0.556 120.092 120.570 0.130 0.000 3.462 270 I HA 0.096 4.265 4.170 -0.001 0.000 0.290 270 I C 0.080 176.244 176.117 0.080 0.000 1.236 270 I CA 0.947 62.301 61.300 0.090 0.000 1.418 270 I CB -0.089 37.962 38.000 0.086 0.000 1.102 270 I HN 0.341 nan 8.210 nan 0.000 0.441 271 K N 3.256 123.715 120.400 0.098 0.000 2.385 271 K HA 0.439 4.758 4.320 -0.001 0.000 0.229 271 K C -2.350 174.297 176.600 0.079 0.000 1.089 271 K CA -1.823 54.516 56.287 0.087 0.000 1.060 271 K CB 0.560 33.123 32.500 0.105 0.000 1.698 271 K HN 0.075 nan 8.250 nan 0.000 0.469 272 P HA -0.144 nan 4.420 nan 0.000 0.263 272 P C -0.208 177.118 177.300 0.043 0.000 1.168 272 P CA 0.348 63.473 63.100 0.041 0.000 0.759 272 P CB 0.473 32.191 31.700 0.030 0.000 0.782 273 L N 5.407 126.649 121.223 0.032 0.000 2.525 273 L HA 0.083 4.423 4.340 -0.001 0.000 0.278 273 L C -1.202 175.687 176.870 0.030 0.000 1.218 273 L CA -1.299 53.561 54.840 0.033 0.000 0.878 273 L CB -0.473 41.595 42.059 0.014 0.000 1.127 273 L HN 0.354 nan 8.230 nan 0.000 0.492 274 P HA 0.001 nan 4.420 nan 0.000 0.276 274 P C 0.466 177.780 177.300 0.023 0.000 1.235 274 P CA -0.301 62.818 63.100 0.032 0.000 0.772 274 P CB 1.311 33.035 31.700 0.040 0.000 0.871 275 T N 1.612 116.177 114.554 0.019 0.000 2.803 275 T HA -0.125 4.225 4.350 -0.001 0.000 0.269 275 T C 0.937 175.645 174.700 0.014 0.000 1.052 275 T CA 0.965 63.073 62.100 0.013 0.000 1.136 275 T CB -0.423 68.452 68.868 0.012 0.000 0.864 275 T HN 0.451 nan 8.240 nan 0.000 0.467 276 K N 2.615 123.026 120.400 0.018 0.000 2.310 276 K HA 0.253 4.572 4.320 -0.001 0.000 0.290 276 K C -0.831 175.782 176.600 0.021 0.000 1.077 276 K CA -0.127 56.172 56.287 0.019 0.000 0.922 276 K CB 0.625 33.138 32.500 0.021 0.000 1.057 276 K HN 0.306 nan 8.250 nan 0.000 0.479 277 K N 2.334 122.744 120.400 0.017 0.000 2.234 277 K HA 0.199 4.518 4.320 -0.001 0.000 0.277 277 K C -0.597 176.015 176.600 0.020 0.000 1.038 277 K CA -0.422 55.875 56.287 0.016 0.000 0.888 277 K CB 1.344 33.846 32.500 0.004 0.000 1.091 277 K HN 0.473 nan 8.250 nan 0.000 0.467 278 T N 1.918 116.488 114.554 0.028 0.000 2.767 278 T HA 0.436 4.785 4.350 -0.001 0.000 0.288 278 T C 0.115 174.834 174.700 0.031 0.000 0.963 278 T CA -0.295 61.827 62.100 0.037 0.000 1.019 278 T CB 1.244 70.141 68.868 0.049 0.000 0.923 278 T HN 0.859 nan 8.240 nan 0.000 0.468 279 G N 2.335 111.155 108.800 0.033 0.000 2.778 279 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.686 279 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.686 279 G C -0.780 174.087 174.900 -0.055 0.000 1.309 279 G CA -0.726 44.377 45.100 0.005 0.000 0.904 279 G HN 0.792 nan 8.290 nan 0.000 0.593 280 K N 0.233 120.580 120.400 -0.087 0.000 2.323 280 K HA 0.749 5.069 4.320 -0.001 0.000 0.259 280 K C -0.625 175.877 176.600 -0.164 0.000 0.947 280 K CA -0.490 55.741 56.287 -0.094 0.000 0.819 280 K CB 2.002 34.479 32.500 -0.038 0.000 1.109 280 K HN 1.595 nan 8.250 nan 0.000 0.429 281 V N 5.942 125.754 119.914 -0.170 0.000 2.656 281 V HA 0.619 4.739 4.120 -0.001 0.000 0.307 281 V C -1.224 174.779 176.094 -0.152 0.000 1.051 281 V CA -0.799 61.381 62.300 -0.200 0.000 0.893 281 V CB 1.416 33.076 31.823 -0.271 0.000 0.999 281 V HN 0.827 nan 8.190 nan 0.000 0.426 282 I N 7.015 127.505 120.570 -0.132 0.000 2.336 282 I HA 0.473 4.642 4.170 -0.001 0.000 0.292 282 I C -0.300 175.735 176.117 -0.138 0.000 0.991 282 I CA -0.418 60.795 61.300 -0.144 0.000 1.227 282 I CB 1.690 39.614 38.000 -0.128 0.000 1.366 282 I HN 0.489 nan 8.210 nan 0.000 0.466 283 I N 6.750 127.228 120.570 -0.153 0.000 2.336 283 I HA 0.291 4.460 4.170 -0.001 0.000 0.292 283 I C -0.319 175.724 176.117 -0.125 0.000 0.991 283 I CA -0.733 60.491 61.300 -0.127 0.000 1.227 283 I CB 1.382 39.308 38.000 -0.122 0.000 1.366 283 I HN 0.290 nan 8.210 nan 0.000 0.466 284 I N 5.724 126.241 120.570 -0.088 0.000 2.291 284 I HA 0.433 4.602 4.170 -0.001 0.000 0.292 284 I C 0.688 176.778 176.117 -0.044 0.000 1.064 284 I CA 0.003 61.261 61.300 -0.070 0.000 1.269 284 I CB -0.141 37.843 38.000 -0.028 0.000 1.418 284 I HN 0.829 nan 8.210 nan 0.000 0.485 285 G N 4.031 112.789 108.800 -0.071 0.000 3.233 285 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.686 285 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.686 285 G C -0.132 174.735 174.900 -0.055 0.000 1.153 285 G CA -0.622 44.450 45.100 -0.047 0.000 0.853 285 G HN 0.522 nan 8.290 nan 0.000 0.582 286 S N 1.129 116.792 115.700 -0.061 0.000 2.552 286 S HA 0.526 4.995 4.470 -0.001 0.000 0.246 286 S C 1.441 176.024 174.600 -0.028 0.000 1.019 286 S CA 0.851 59.017 58.200 -0.057 0.000 1.045 286 S CB -0.674 62.480 63.200 -0.077 0.000 0.784 286 S HN 1.503 nan 8.310 nan 0.000 0.453 287 G N 0.238 109.033 108.800 -0.008 0.000 2.535 287 G HA2 0.333 4.292 3.960 -0.001 0.000 0.282 287 G HA3 0.333 4.292 3.960 -0.001 0.000 0.282 287 G C 1.089 175.981 174.900 -0.012 0.000 1.350 287 G CA -0.373 44.729 45.100 0.003 0.000 1.039 287 G HN 0.218 nan 8.290 nan 0.000 0.509 288 V N 0.689 120.589 119.914 -0.022 0.000 2.343 288 V HA -0.205 3.914 4.120 -0.001 0.000 0.247 288 V C 3.289 179.375 176.094 -0.013 0.000 1.051 288 V CA 2.662 64.948 62.300 -0.025 0.000 1.036 288 V CB -0.607 31.186 31.823 -0.049 0.000 0.654 288 V HN 0.840 nan 8.190 nan 0.000 0.451 289 S N 0.950 116.647 115.700 -0.005 0.000 2.356 289 S HA -0.129 4.340 4.470 -0.001 0.000 0.223 289 S C 2.131 176.721 174.600 -0.016 0.000 1.032 289 S CA 1.509 59.708 58.200 -0.003 0.000 1.005 289 S CB -1.122 62.090 63.200 0.021 0.000 0.867 289 S HN 0.534 nan 8.310 nan 0.000 0.449 290 G N 1.718 110.509 108.800 -0.015 0.000 2.408 290 G HA2 0.005 3.964 3.960 -0.001 0.000 0.217 290 G HA3 0.005 3.964 3.960 -0.001 0.000 0.217 290 G C 1.491 176.358 174.900 -0.055 0.000 1.150 290 G CA 0.821 45.899 45.100 -0.038 0.000 0.776 290 G HN 0.487 nan 8.290 nan 0.000 0.542 291 L N 0.580 121.777 121.223 -0.044 0.000 2.056 291 L HA -0.029 4.310 4.340 -0.001 0.000 0.207 291 L C 3.417 180.259 176.870 -0.047 0.000 1.078 291 L CA 1.002 55.814 54.840 -0.047 0.000 0.749 291 L CB -0.386 41.654 42.059 -0.031 0.000 0.901 291 L HN 0.303 nan 8.230 nan 0.000 0.433 292 A N 0.018 122.820 122.820 -0.030 0.000 1.877 292 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 292 A C 2.515 180.058 177.584 -0.068 0.000 1.186 292 A CA 1.824 53.848 52.037 -0.021 0.000 0.620 292 A CB -0.756 18.242 19.000 -0.004 0.000 0.822 292 A HN 0.405 nan 8.150 nan 0.000 0.443 293 A N -0.189 122.582 122.820 -0.080 0.000 1.902 293 A HA 0.174 4.493 4.320 -0.001 0.000 0.217 293 A C 2.524 180.017 177.584 -0.152 0.000 1.181 293 A CA 2.119 54.087 52.037 -0.115 0.000 0.623 293 A CB -1.079 17.863 19.000 -0.096 0.000 0.818 293 A HN 1.065 nan 8.150 nan 0.000 0.443 294 A N 0.006 122.748 122.820 -0.129 0.000 1.865 294 A HA -0.214 4.105 4.320 -0.001 0.000 0.217 294 A C 2.247 179.731 177.584 -0.167 0.000 1.191 294 A CA 1.673 53.625 52.037 -0.141 0.000 0.623 294 A CB -0.566 18.364 19.000 -0.117 0.000 0.826 294 A HN 0.545 nan 8.150 nan 0.000 0.444 295 R N -0.932 119.479 120.500 -0.148 0.000 2.105 295 R HA -0.146 4.193 4.340 -0.001 0.000 0.239 295 R C 2.442 178.588 176.300 -0.257 0.000 1.135 295 R CA 1.434 57.437 56.100 -0.162 0.000 0.967 295 R CB -0.304 29.933 30.300 -0.105 0.000 0.861 295 R HN 0.583 nan 8.270 nan 0.000 0.442 296 Q N 0.438 120.035 119.800 -0.338 0.000 1.990 296 Q HA -0.113 4.226 4.340 -0.001 0.000 0.200 296 Q C 2.222 177.583 176.000 -1.065 0.000 0.980 296 Q CA 1.068 56.448 55.803 -0.706 0.000 0.832 296 Q CB -0.397 27.992 28.738 -0.582 0.000 0.897 296 Q HN 0.189 nan 8.270 nan 0.000 0.427 297 L N 1.452 122.328 121.223 -0.580 0.000 2.081 297 L HA -0.211 4.128 4.340 -0.001 0.000 0.212 297 L C 2.450 179.196 176.870 -0.208 0.000 1.080 297 L CA 1.736 56.391 54.840 -0.308 0.000 0.754 297 L CB -0.997 40.954 42.059 -0.180 0.000 0.893 297 L HN 0.358 nan 8.230 nan 0.000 0.433 298 Q N -0.991 118.676 119.800 -0.221 0.000 2.046 298 Q HA -0.178 4.161 4.340 -0.001 0.000 0.200 298 Q C 2.273 178.214 176.000 -0.099 0.000 0.975 298 Q CA 1.930 57.654 55.803 -0.132 0.000 0.836 298 Q CB 0.029 28.690 28.738 -0.129 0.000 0.896 298 Q HN 0.636 nan 8.270 nan 0.000 0.428 299 S N -0.491 115.105 115.700 -0.174 0.000 2.447 299 S HA -0.081 4.388 4.470 -0.001 0.000 0.233 299 S C 1.321 176.004 174.600 0.138 0.000 1.006 299 S CA 0.539 58.707 58.200 -0.052 0.000 0.957 299 S CB -0.310 62.851 63.200 -0.064 0.000 0.773 299 S HN 0.346 nan 8.310 nan 0.000 0.507 300 F N 2.173 122.116 119.950 -0.012 0.000 2.811 300 F HA 0.391 4.917 4.527 -0.001 0.000 0.301 300 F C 2.099 177.893 175.800 -0.010 0.000 1.151 300 F CA -0.727 57.264 58.000 -0.016 0.000 1.412 300 F CB -0.994 37.981 39.000 -0.041 0.000 1.113 300 F HN 0.432 nan 8.300 nan 0.000 0.579 301 G N 0.206 109.097 108.800 0.150 0.000 2.132 301 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.234 301 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.234 301 G C 0.346 175.279 174.900 0.054 0.000 0.989 301 G CA -0.056 45.094 45.100 0.084 0.000 0.676 301 G HN 0.244 nan 8.290 nan 0.000 0.522 302 M N 0.319 119.945 119.600 0.044 0.000 2.359 302 M HA 0.370 4.849 4.480 -0.001 0.000 0.322 302 M C -0.244 176.038 176.300 -0.030 0.000 1.166 302 M CA -0.612 54.690 55.300 0.004 0.000 1.067 302 M CB 0.885 33.477 32.600 -0.013 0.000 1.523 302 M HN 0.073 nan 8.290 nan 0.000 0.467 303 D N 2.115 122.490 120.400 -0.041 0.000 2.347 303 D HA 0.355 4.995 4.640 -0.001 0.000 0.235 303 D C -1.606 174.648 176.300 -0.076 0.000 1.149 303 D CA 0.002 53.974 54.000 -0.048 0.000 0.850 303 D CB 1.026 41.807 40.800 -0.031 0.000 1.061 303 D HN 0.373 nan 8.370 nan 0.000 0.487 304 V N 3.029 122.891 119.914 -0.086 0.000 2.735 304 V HA 0.686 4.805 4.120 -0.001 0.000 0.310 304 V C -0.919 175.105 176.094 -0.115 0.000 1.061 304 V CA -0.208 62.025 62.300 -0.112 0.000 0.913 304 V CB 2.236 33.983 31.823 -0.126 0.000 1.005 304 V HN 0.512 nan 8.190 nan 0.000 0.428 305 T N 7.371 121.839 114.554 -0.143 0.000 2.881 305 T HA 0.651 5.000 4.350 -0.001 0.000 0.290 305 T C -0.979 173.592 174.700 -0.216 0.000 1.000 305 T CA -0.264 61.730 62.100 -0.177 0.000 0.978 305 T CB 1.296 70.040 68.868 -0.207 0.000 0.997 305 T HN 0.611 nan 8.240 nan 0.000 0.443 306 L N 3.359 124.460 121.223 -0.203 0.000 2.307 306 L HA 0.570 4.909 4.340 -0.001 0.000 0.282 306 L C -0.416 176.304 176.870 -0.250 0.000 1.051 306 L CA -0.419 54.302 54.840 -0.199 0.000 0.804 306 L CB 0.905 42.874 42.059 -0.149 0.000 1.197 306 L HN 0.448 nan 8.230 nan 0.000 0.431 307 L N 3.009 124.077 121.223 -0.257 0.000 2.295 307 L HA 0.491 4.831 4.340 -0.001 0.000 0.281 307 L C -0.366 176.376 176.870 -0.214 0.000 1.018 307 L CA -0.511 54.161 54.840 -0.279 0.000 0.841 307 L CB 1.429 43.300 42.059 -0.312 0.000 1.218 307 L HN 0.513 nan 8.230 nan 0.000 0.424 308 E N 2.109 122.178 120.200 -0.218 0.000 2.145 308 E HA 0.460 4.810 4.350 -0.001 0.000 0.270 308 E C 0.435 176.843 176.600 -0.320 0.000 0.906 308 E CA -0.288 55.975 56.400 -0.228 0.000 0.761 308 E CB 2.033 31.625 29.700 -0.179 0.000 1.116 308 E HN 0.566 nan 8.360 nan 0.000 0.408 309 A N 5.536 128.064 122.820 -0.488 0.000 1.969 309 A HA -0.046 4.273 4.320 -0.001 0.000 0.218 309 A C 1.112 178.193 177.584 -0.837 0.000 1.169 309 A CA 0.944 52.467 52.037 -0.855 0.000 0.635 309 A CB -0.166 17.821 19.000 -1.688 0.000 0.810 309 A HN 0.599 nan 8.150 nan 0.000 0.445 310 R N -0.015 120.099 120.500 -0.644 0.000 2.652 310 R HA 0.240 4.580 4.340 -0.001 0.000 0.272 310 R C -0.082 176.110 176.300 -0.181 0.000 1.162 310 R CA 0.250 56.140 56.100 -0.350 0.000 1.199 310 R CB 0.098 30.295 30.300 -0.172 0.000 1.166 310 R HN 0.448 nan 8.270 nan 0.000 0.597 311 D N 0.056 120.408 120.400 -0.080 0.000 2.427 311 D HA 0.047 4.686 4.640 -0.001 0.000 0.224 311 D C -0.179 176.100 176.300 -0.035 0.000 1.157 311 D CA -0.270 53.700 54.000 -0.049 0.000 0.828 311 D CB 0.006 40.798 40.800 -0.013 0.000 0.974 311 D HN 0.471 nan 8.370 nan 0.000 0.498 312 R N -1.493 118.982 120.500 -0.041 0.000 2.733 312 R HA 0.596 4.935 4.340 -0.001 0.000 0.272 312 R C -0.884 175.399 176.300 -0.028 0.000 1.029 312 R CA -1.074 55.014 56.100 -0.020 0.000 0.888 312 R CB 0.943 31.250 30.300 0.011 0.000 1.251 312 R HN -0.102 nan 8.270 nan 0.000 0.464 313 V N -2.040 117.864 119.914 -0.017 0.000 3.302 313 V HA 0.867 4.986 4.120 -0.001 0.000 0.316 313 V C 0.952 177.052 176.094 0.010 0.000 1.111 313 V CA 0.353 62.641 62.300 -0.019 0.000 1.029 313 V CB 0.776 32.584 31.823 -0.026 0.000 1.170 313 V HN 1.238 nan 8.190 nan 0.000 0.452 314 G N -0.980 107.825 108.800 0.008 0.000 2.279 314 G HA2 0.056 4.016 3.960 -0.001 0.000 0.223 314 G HA3 0.056 4.016 3.960 -0.001 0.000 0.223 314 G C 1.740 176.665 174.900 0.042 0.000 1.015 314 G CA 0.868 45.979 45.100 0.018 0.000 0.621 314 G HN 2.675 nan 8.290 nan 0.000 0.506 315 G N 0.488 109.338 108.800 0.084 0.000 2.646 315 G HA2 -0.426 3.534 3.960 -0.001 0.000 0.324 315 G HA3 -0.426 3.534 3.960 -0.001 0.000 0.324 315 G C 0.944 175.980 174.900 0.226 0.000 1.195 315 G CA 1.544 46.734 45.100 0.151 0.000 0.976 315 G HN 1.222 nan 8.290 nan 0.000 0.546 316 R N -0.147 120.412 120.500 0.099 0.000 2.323 316 R HA 0.312 4.652 4.340 -0.001 0.000 0.198 316 R C 0.274 176.510 176.300 -0.107 0.000 0.988 316 R CA 0.275 56.316 56.100 -0.098 0.000 1.041 316 R CB 0.142 30.289 30.300 -0.254 0.000 0.926 316 R HN 0.200 nan 8.270 nan 0.000 0.476 317 V N 1.423 121.320 119.914 -0.030 0.000 2.304 317 V HA 0.458 4.577 4.120 -0.001 0.000 0.269 317 V C -0.364 175.783 176.094 0.087 0.000 1.036 317 V CA -0.553 61.702 62.300 -0.075 0.000 0.840 317 V CB 1.163 32.860 31.823 -0.210 0.000 1.036 317 V HN 0.120 nan 8.190 nan 0.000 0.466 318 A N 3.805 126.735 122.820 0.184 0.000 2.385 318 A HA 0.767 5.086 4.320 -0.001 0.000 0.290 318 A C -0.140 177.565 177.584 0.202 0.000 1.094 318 A CA -0.459 51.714 52.037 0.226 0.000 0.729 318 A CB 1.343 20.556 19.000 0.355 0.000 1.194 318 A HN 0.587 nan 8.150 nan 0.000 0.442 319 T N 2.187 116.834 114.554 0.155 0.000 2.824 319 T HA 0.514 4.863 4.350 -0.001 0.000 0.280 319 T C -0.581 174.209 174.700 0.149 0.000 0.995 319 T CA -0.134 62.050 62.100 0.140 0.000 1.009 319 T CB 0.753 69.681 68.868 0.099 0.000 0.955 319 T HN 0.519 nan 8.240 nan 0.000 0.452 320 F N 3.732 123.675 119.950 -0.012 0.000 2.410 320 F HA 0.581 5.107 4.527 -0.001 0.000 0.348 320 F C 0.204 175.987 175.800 -0.028 0.000 1.106 320 F CA -0.969 57.017 58.000 -0.024 0.000 1.163 320 F CB 0.465 39.437 39.000 -0.048 0.000 1.129 320 F HN 0.394 nan 8.300 nan 0.000 0.516 321 R N 5.688 125.791 120.500 -0.661 0.000 2.514 321 R HA 0.402 4.741 4.340 -0.001 0.000 0.296 321 R C -1.469 174.438 176.300 -0.655 0.000 1.012 321 R CA -1.047 54.721 56.100 -0.554 0.000 0.897 321 R CB 2.055 32.214 30.300 -0.234 0.000 1.184 321 R HN 0.667 nan 8.270 nan 0.000 0.440 322 K N 2.281 122.348 120.400 -0.555 0.000 2.616 322 K HA 0.317 4.637 4.320 -0.001 0.000 0.255 322 K C 0.066 176.604 176.600 -0.103 0.000 0.995 322 K CA 0.267 56.377 56.287 -0.294 0.000 0.860 322 K CB 1.401 33.730 32.500 -0.286 0.000 1.264 322 K HN 0.695 nan 8.250 nan 0.000 0.451 323 G N 3.871 112.612 108.800 -0.098 0.000 2.561 323 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.289 323 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.289 323 G C 0.208 175.009 174.900 -0.164 0.000 1.169 323 G CA 0.384 45.413 45.100 -0.117 0.000 0.980 323 G HN 0.686 nan 8.290 nan 0.000 0.550 324 N N 0.471 119.006 118.700 -0.275 0.000 2.280 324 N HA 0.164 4.904 4.740 -0.001 0.000 0.192 324 N C -0.135 175.258 175.510 -0.195 0.000 1.109 324 N CA 0.305 53.218 53.050 -0.227 0.000 0.855 324 N CB 0.203 38.551 38.487 -0.232 0.000 0.974 324 N HN 0.423 nan 8.380 nan 0.000 0.482 325 Y N 0.734 121.002 120.300 -0.053 0.000 2.359 325 Y HA 0.273 4.822 4.550 -0.001 0.000 0.334 325 Y C 0.550 176.345 175.900 -0.176 0.000 1.058 325 Y CA -0.563 57.507 58.100 -0.050 0.000 1.244 325 Y CB 0.824 39.300 38.460 0.028 0.000 1.187 325 Y HN -0.315 nan 8.280 nan 0.000 0.510 326 V N 2.755 122.656 119.914 -0.021 0.000 2.638 326 V HA 0.908 5.028 4.120 -0.001 0.000 0.306 326 V C -0.585 175.134 176.094 -0.624 0.000 1.052 326 V CA -0.987 61.170 62.300 -0.238 0.000 0.885 326 V CB 1.614 33.322 31.823 -0.191 0.000 0.999 326 V HN 0.832 nan 8.190 nan 0.000 0.424 327 A N 2.983 125.574 122.820 -0.382 0.000 2.532 327 A HA 0.651 4.970 4.320 -0.001 0.000 0.296 327 A C -1.453 176.115 177.584 -0.028 0.000 1.058 327 A CA -0.659 51.125 52.037 -0.421 0.000 0.729 327 A CB 1.351 20.296 19.000 -0.091 0.000 1.285 327 A HN 0.677 nan 8.150 nan 0.000 0.396 328 D N 2.443 122.896 120.400 0.088 0.000 2.277 328 D HA 0.316 4.955 4.640 -0.001 0.000 0.249 328 D C 0.601 176.997 176.300 0.160 0.000 1.134 328 D CA -0.278 53.822 54.000 0.166 0.000 0.863 328 D CB 1.636 42.567 40.800 0.219 0.000 1.143 328 D HN 0.341 nan 8.370 nan 0.000 0.458 329 L N 1.647 122.998 121.223 0.213 0.000 2.554 329 L HA 0.204 4.543 4.340 -0.001 0.000 0.225 329 L C 1.380 178.542 176.870 0.487 0.000 1.104 329 L CA 0.571 55.581 54.840 0.283 0.000 0.866 329 L CB -0.303 41.894 42.059 0.230 0.000 1.047 329 L HN 0.359 nan 8.230 nan 0.000 0.468 330 G N -0.890 108.120 108.800 0.349 0.000 3.247 330 G HA2 0.523 4.483 3.960 -0.001 0.000 0.163 330 G HA3 0.523 4.483 3.960 -0.001 0.000 0.163 330 G C -0.361 174.553 174.900 0.023 0.000 1.206 330 G CA 0.158 45.325 45.100 0.110 0.000 0.918 330 G HN 0.158 nan 8.290 nan 0.000 0.625 331 A N 0.014 122.797 122.820 -0.062 0.000 2.587 331 A HA 0.420 4.740 4.320 -0.001 0.000 0.235 331 A C 0.951 178.674 177.584 0.231 0.000 1.044 331 A CA 1.365 53.401 52.037 -0.002 0.000 0.754 331 A CB -0.310 18.577 19.000 -0.189 0.000 0.968 331 A HN 1.048 nan 8.150 nan 0.000 0.509 332 M N 1.187 120.917 119.600 0.217 0.000 2.139 332 M HA 0.330 4.810 4.480 -0.001 0.000 0.343 332 M C -0.832 175.521 176.300 0.088 0.000 0.886 332 M CA 0.123 55.531 55.300 0.181 0.000 1.134 332 M CB 0.239 32.825 32.600 -0.022 0.000 2.064 332 M HN 0.214 nan 8.290 nan 0.000 0.699 333 V N 2.462 122.447 119.914 0.118 0.000 2.483 333 V HA 0.512 4.632 4.120 -0.001 0.000 0.295 333 V C -0.284 175.878 176.094 0.113 0.000 1.035 333 V CA -0.730 61.631 62.300 0.100 0.000 0.896 333 V CB 2.066 33.983 31.823 0.156 0.000 0.986 333 V HN 0.139 nan 8.190 nan 0.000 0.447 334 V N 3.639 123.576 119.914 0.038 0.000 2.398 334 V HA 0.284 4.403 4.120 -0.001 0.000 0.286 334 V C 0.891 176.975 176.094 -0.017 0.000 1.026 334 V CA -0.255 62.070 62.300 0.042 0.000 0.868 334 V CB 1.867 33.670 31.823 -0.034 0.000 0.982 334 V HN 1.027 nan 8.190 nan 0.000 0.443 335 T N 0.633 115.151 114.554 -0.060 0.000 3.467 335 T HA 0.478 4.827 4.350 -0.001 0.000 0.232 335 T C 0.612 175.300 174.700 -0.020 0.000 0.876 335 T CA 0.235 62.118 62.100 -0.360 0.000 0.939 335 T CB -0.673 68.023 68.868 -0.286 0.000 1.165 335 T HN 1.753 nan 8.240 nan 0.000 0.615 336 G N 0.867 109.733 108.800 0.109 0.000 3.409 336 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.686 336 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.686 336 G C 0.154 175.114 174.900 0.099 0.000 1.017 336 G CA -0.445 44.773 45.100 0.197 0.000 0.854 336 G HN 0.450 nan 8.290 nan 0.000 0.508 337 L N 1.729 122.974 121.223 0.036 0.000 2.217 337 L HA 0.143 4.482 4.340 -0.001 0.000 0.211 337 L C 2.330 179.133 176.870 -0.112 0.000 1.107 337 L CA 0.951 55.751 54.840 -0.068 0.000 0.783 337 L CB -0.290 41.753 42.059 -0.026 0.000 0.919 337 L HN 0.793 nan 8.230 nan 0.000 0.442 338 G N 0.045 108.867 108.800 0.036 0.000 2.363 338 G HA2 0.318 4.277 3.960 -0.001 0.000 0.285 338 G HA3 0.318 4.277 3.960 -0.001 0.000 0.285 338 G C 1.081 175.923 174.900 -0.097 0.000 1.084 338 G CA 0.444 45.631 45.100 0.145 0.000 1.216 338 G HN 0.474 nan 8.290 nan 0.000 0.429 339 G N 2.132 110.735 108.800 -0.327 0.000 2.175 339 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.244 339 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.244 339 G C 0.527 174.776 174.900 -1.084 0.000 0.982 339 G CA 0.113 44.864 45.100 -0.581 0.000 0.641 339 G HN 0.905 nan 8.290 nan 0.000 0.527 340 N N 1.551 119.499 118.700 -1.254 0.000 2.411 340 N HA 0.352 5.091 4.740 -0.001 0.000 0.259 340 N C -0.414 174.779 175.510 -0.528 0.000 1.103 340 N CA -1.696 50.520 53.050 -1.390 0.000 0.954 340 N CB 1.739 39.660 38.487 -0.943 0.000 1.085 340 N HN 0.118 nan 8.380 nan 0.000 0.485 341 P HA -0.128 nan 4.420 nan 0.000 0.222 341 P C 1.218 178.579 177.300 0.103 0.000 1.147 341 P CA 0.894 63.992 63.100 -0.003 0.000 0.790 341 P CB 0.270 31.947 31.700 -0.038 0.000 0.780 342 M N -0.580 119.032 119.600 0.021 0.000 2.549 342 M HA -0.013 4.466 4.480 -0.001 0.000 0.260 342 M C 2.100 178.413 176.300 0.021 0.000 1.076 342 M CA 0.711 56.058 55.300 0.080 0.000 1.090 342 M CB -1.749 30.921 32.600 0.117 0.000 1.418 342 M HN -0.060 nan 8.290 nan 0.000 0.486 343 A N -0.093 122.703 122.820 -0.039 0.000 1.898 343 A HA -0.050 4.269 4.320 -0.001 0.000 0.216 343 A C 2.439 179.993 177.584 -0.051 0.000 1.181 343 A CA 1.477 53.480 52.037 -0.056 0.000 0.620 343 A CB -0.699 18.248 19.000 -0.088 0.000 0.819 343 A HN 0.286 nan 8.150 nan 0.000 0.442 344 V N -0.493 119.404 119.914 -0.027 0.000 2.323 344 V HA -0.187 3.932 4.120 -0.001 0.000 0.244 344 V C 2.541 178.585 176.094 -0.084 0.000 1.041 344 V CA 1.865 64.103 62.300 -0.103 0.000 1.025 344 V CB -0.704 31.056 31.823 -0.105 0.000 0.656 344 V HN 0.347 nan 8.190 nan 0.000 0.451 345 V N -0.127 119.801 119.914 0.023 0.000 2.490 345 V HA -0.241 3.879 4.120 -0.001 0.000 0.250 345 V C 2.679 178.788 176.094 0.025 0.000 1.061 345 V CA 2.207 64.538 62.300 0.051 0.000 1.064 345 V CB -0.597 31.309 31.823 0.139 0.000 0.670 345 V HN 0.629 nan 8.190 nan 0.000 0.461 346 S N -0.241 115.465 115.700 0.010 0.000 2.356 346 S HA -0.243 4.226 4.470 -0.001 0.000 0.223 346 S C 2.083 176.665 174.600 -0.029 0.000 1.032 346 S CA 1.769 59.964 58.200 -0.009 0.000 1.005 346 S CB -0.181 63.003 63.200 -0.026 0.000 0.867 346 S HN 0.635 nan 8.310 nan 0.000 0.449 347 K N 0.411 120.777 120.400 -0.057 0.000 2.097 347 K HA -0.073 4.246 4.320 -0.001 0.000 0.205 347 K C 2.551 179.109 176.600 -0.070 0.000 1.050 347 K CA 1.530 57.772 56.287 -0.076 0.000 0.938 347 K CB -0.221 32.205 32.500 -0.123 0.000 0.718 347 K HN 0.546 nan 8.250 nan 0.000 0.442 348 Q N 0.318 120.077 119.800 -0.069 0.000 2.119 348 Q HA -0.105 4.234 4.340 -0.001 0.000 0.201 348 Q C 1.978 177.968 176.000 -0.016 0.000 0.972 348 Q CA 1.576 57.352 55.803 -0.044 0.000 0.847 348 Q CB 0.040 28.765 28.738 -0.022 0.000 0.903 348 Q HN 0.299 nan 8.270 nan 0.000 0.433 349 V N -2.925 116.987 119.914 -0.004 0.000 3.621 349 V HA 0.197 4.317 4.120 -0.001 0.000 0.285 349 V C -0.049 176.047 176.094 0.003 0.000 1.346 349 V CA 0.012 62.316 62.300 0.007 0.000 1.104 349 V CB -0.585 31.255 31.823 0.029 0.000 0.913 349 V HN 0.412 nan 8.190 nan 0.000 0.432 350 N N 1.626 120.321 118.700 -0.008 0.000 2.758 350 N HA -0.183 4.556 4.740 -0.001 0.000 0.248 350 N C 0.168 175.677 175.510 -0.001 0.000 1.076 350 N CA 0.753 53.798 53.050 -0.009 0.000 0.696 350 N CB -0.798 37.685 38.487 -0.007 0.000 0.979 350 N HN 0.902 nan 8.380 nan 0.000 0.550 351 M N -0.414 119.184 119.600 -0.002 0.000 2.185 351 M HA 0.282 4.761 4.480 -0.001 0.000 0.357 351 M C 0.134 176.427 176.300 -0.012 0.000 1.260 351 M CA -0.012 55.287 55.300 -0.003 0.000 1.124 351 M CB 1.178 33.772 32.600 -0.009 0.000 1.600 351 M HN 0.042 nan 8.290 nan 0.000 0.467 352 E N 4.758 124.958 120.200 -0.000 0.000 2.180 352 E HA 0.391 4.740 4.350 -0.001 0.000 0.283 352 E C -1.642 174.956 176.600 -0.004 0.000 1.061 352 E CA -0.404 55.999 56.400 0.005 0.000 0.861 352 E CB 0.769 30.485 29.700 0.026 0.000 1.056 352 E HN 0.794 nan 8.360 nan 0.000 0.407 353 L N 3.296 124.514 121.223 -0.009 0.000 2.329 353 L HA 0.697 5.036 4.340 -0.001 0.000 0.279 353 L C -0.366 176.512 176.870 0.014 0.000 1.014 353 L CA -0.943 53.889 54.840 -0.012 0.000 0.814 353 L CB 1.855 43.899 42.059 -0.024 0.000 1.257 353 L HN 0.537 nan 8.230 nan 0.000 0.424 354 A N 3.071 125.906 122.820 0.025 0.000 2.343 354 A HA 0.567 4.886 4.320 -0.001 0.000 0.316 354 A C -0.639 176.983 177.584 0.065 0.000 1.104 354 A CA -0.782 51.280 52.037 0.042 0.000 0.768 354 A CB 1.015 20.040 19.000 0.042 0.000 1.213 354 A HN 0.689 nan 8.150 nan 0.000 0.456 355 K N 1.622 122.064 120.400 0.070 0.000 2.355 355 K HA 0.251 4.570 4.320 -0.001 0.000 0.270 355 K C -0.621 176.043 176.600 0.106 0.000 1.003 355 K CA 0.291 56.634 56.287 0.093 0.000 0.957 355 K CB 0.673 33.221 32.500 0.081 0.000 0.939 355 K HN 0.606 nan 8.250 nan 0.000 0.482 356 I N 3.363 124.016 120.570 0.139 0.000 2.352 356 I HA 0.041 4.211 4.170 -0.001 0.000 0.290 356 I C 0.333 176.507 176.117 0.095 0.000 1.036 356 I CA -0.266 61.118 61.300 0.140 0.000 1.336 356 I CB 0.509 38.629 38.000 0.201 0.000 1.407 356 I HN 0.306 nan 8.210 nan 0.000 0.497 357 K N 5.869 126.313 120.400 0.074 0.000 2.412 357 K HA 0.052 4.371 4.320 -0.001 0.000 0.281 357 K C 0.842 177.467 176.600 0.042 0.000 1.027 357 K CA -0.151 56.170 56.287 0.056 0.000 0.989 357 K CB 0.767 33.300 32.500 0.056 0.000 0.935 357 K HN 0.567 nan 8.250 nan 0.000 0.475 358 Q N 1.820 121.644 119.800 0.040 0.000 2.124 358 Q HA -0.158 4.181 4.340 -0.001 0.000 0.202 358 Q C 0.262 176.276 176.000 0.023 0.000 0.977 358 Q CA 1.116 56.939 55.803 0.034 0.000 0.850 358 Q CB -0.018 28.742 28.738 0.037 0.000 0.901 358 Q HN 0.399 nan 8.270 nan 0.000 0.429 359 K N 1.253 121.666 120.400 0.021 0.000 2.405 359 K HA -0.070 4.250 4.320 -0.001 0.000 0.276 359 K C -1.213 175.390 176.600 0.006 0.000 1.099 359 K CA 0.068 56.361 56.287 0.011 0.000 1.120 359 K CB 0.183 32.694 32.500 0.018 0.000 0.877 359 K HN 0.150 nan 8.250 nan 0.000 0.472 360 C N 9.180 128.466 119.300 -0.022 0.000 2.647 360 C HA 0.443 4.902 4.460 -0.001 0.000 0.273 360 C C -2.446 172.474 174.990 -0.118 0.000 1.088 360 C CA -2.307 56.685 59.018 -0.043 0.000 1.529 360 C CB -0.030 27.680 27.740 -0.050 0.000 1.810 360 C HN 0.731 nan 8.230 nan 0.000 0.422 361 P HA 0.260 nan 4.420 nan 0.000 0.271 361 P C -0.893 176.191 177.300 -0.361 0.000 1.216 361 P CA 0.001 62.954 63.100 -0.245 0.000 0.776 361 P CB 0.981 32.552 31.700 -0.214 0.000 0.881 362 L N 4.088 124.967 121.223 -0.574 0.000 2.325 362 L HA 0.427 4.766 4.340 -0.001 0.000 0.278 362 L C -0.282 176.193 176.870 -0.658 0.000 1.023 362 L CA -0.546 53.946 54.840 -0.580 0.000 0.811 362 L CB 0.640 42.300 42.059 -0.664 0.000 1.249 362 L HN 0.309 nan 8.230 nan 0.000 0.431 363 Y N 0.766 120.966 120.300 -0.166 0.000 2.391 363 Y HA 0.436 4.985 4.550 -0.001 0.000 0.341 363 Y C 0.361 176.221 175.900 -0.068 0.000 0.965 363 Y CA -0.926 57.109 58.100 -0.108 0.000 1.067 363 Y CB 1.441 39.843 38.460 -0.096 0.000 1.199 363 Y HN 0.568 nan 8.280 nan 0.000 0.450 364 E N 1.031 121.264 120.200 0.055 0.000 2.397 364 E HA 0.260 4.610 4.350 -0.001 0.000 0.254 364 E C 0.699 177.356 176.600 0.095 0.000 1.231 364 E CA 0.221 56.636 56.400 0.024 0.000 0.954 364 E CB 0.667 30.368 29.700 0.001 0.000 1.024 364 E HN 0.829 nan 8.360 nan 0.000 0.481 365 A N 1.734 124.598 122.820 0.072 0.000 2.024 365 A HA -0.224 4.095 4.320 -0.001 0.000 0.220 365 A C 1.606 179.272 177.584 0.136 0.000 1.164 365 A CA 1.962 54.095 52.037 0.159 0.000 0.643 365 A CB -0.775 18.295 19.000 0.117 0.000 0.806 365 A HN 0.657 nan 8.150 nan 0.000 0.451 366 N N -1.446 117.302 118.700 0.080 0.000 2.467 366 N HA 0.226 4.965 4.740 -0.001 0.000 0.184 366 N C 1.103 176.636 175.510 0.040 0.000 1.106 366 N CA 1.357 54.438 53.050 0.052 0.000 0.892 366 N CB -0.370 38.136 38.487 0.031 0.000 0.969 366 N HN 0.788 nan 8.380 nan 0.000 0.454 367 G N -0.376 108.463 108.800 0.065 0.000 2.194 367 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.236 367 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.236 367 G C -0.246 174.697 174.900 0.072 0.000 0.987 367 G CA 0.196 45.311 45.100 0.025 0.000 0.635 367 G HN 0.764 nan 8.290 nan 0.000 0.520 368 Q N 0.566 120.410 119.800 0.074 0.000 2.293 368 Q HA 0.764 5.104 4.340 -0.001 0.000 0.251 368 Q C 0.424 176.459 176.000 0.058 0.000 0.930 368 Q CA -0.150 55.694 55.803 0.068 0.000 0.893 368 Q CB 1.518 30.262 28.738 0.011 0.000 1.215 368 Q HN 1.133 nan 8.270 nan 0.000 0.425 369 A N 2.774 125.590 122.820 -0.007 0.000 2.445 369 A HA 0.327 4.646 4.320 -0.001 0.000 0.242 369 A C -0.105 177.332 177.584 -0.244 0.000 1.075 369 A CA -0.606 51.237 52.037 -0.322 0.000 0.777 369 A CB 0.472 19.256 19.000 -0.361 0.000 1.013 369 A HN 0.623 nan 8.150 nan 0.000 0.493 370 V N 4.276 123.998 119.914 -0.319 0.000 2.461 370 V HA 0.241 4.361 4.120 -0.001 0.000 0.275 370 V C -1.936 174.043 176.094 -0.192 0.000 1.047 370 V CA -1.103 61.067 62.300 -0.217 0.000 0.955 370 V CB 0.788 32.472 31.823 -0.231 0.000 0.988 370 V HN 0.819 nan 8.190 nan 0.000 0.471 371 P HA 0.056 nan 4.420 nan 0.000 0.266 371 P C 0.900 178.140 177.300 -0.100 0.000 1.195 371 P CA -0.168 62.870 63.100 -0.104 0.000 0.768 371 P CB 0.572 32.226 31.700 -0.076 0.000 0.838 372 K N 2.836 123.183 120.400 -0.088 0.000 2.107 372 K HA -0.281 4.038 4.320 -0.001 0.000 0.211 372 K C 1.379 177.944 176.600 -0.059 0.000 1.049 372 K CA 1.848 58.091 56.287 -0.073 0.000 0.927 372 K CB -0.064 32.403 32.500 -0.056 0.000 0.714 372 K HN 0.441 nan 8.250 nan 0.000 0.452 373 E N 0.398 120.567 120.200 -0.052 0.000 2.012 373 E HA -0.215 4.134 4.350 -0.001 0.000 0.197 373 E C 2.194 178.766 176.600 -0.047 0.000 1.007 373 E CA 1.581 57.954 56.400 -0.044 0.000 0.816 373 E CB -0.041 29.635 29.700 -0.039 0.000 0.762 373 E HN 0.298 nan 8.360 nan 0.000 0.451 374 K N 0.514 120.880 120.400 -0.056 0.000 2.103 374 K HA -0.187 4.133 4.320 -0.001 0.000 0.207 374 K C 2.007 178.574 176.600 -0.055 0.000 1.048 374 K CA 1.262 57.514 56.287 -0.058 0.000 0.930 374 K CB -0.104 32.357 32.500 -0.065 0.000 0.716 374 K HN 0.089 nan 8.250 nan 0.000 0.444 375 D N 1.211 121.572 120.400 -0.066 0.000 2.106 375 D HA -0.193 4.446 4.640 -0.001 0.000 0.191 375 D C 1.526 177.816 176.300 -0.018 0.000 0.997 375 D CA 1.528 55.496 54.000 -0.053 0.000 0.834 375 D CB 0.119 40.863 40.800 -0.094 0.000 0.956 375 D HN 0.266 nan 8.370 nan 0.000 0.448 376 E N -0.294 119.889 120.200 -0.027 0.000 2.072 376 E HA -0.159 4.190 4.350 -0.001 0.000 0.191 376 E C 2.124 178.709 176.600 -0.025 0.000 0.985 376 E CA 0.459 56.849 56.400 -0.017 0.000 0.801 376 E CB -0.172 29.517 29.700 -0.017 0.000 0.750 376 E HN 0.308 nan 8.360 nan 0.000 0.452 377 M N 1.240 120.820 119.600 -0.034 0.000 2.067 377 M HA -0.145 4.334 4.480 -0.001 0.000 0.260 377 M C 2.268 178.536 176.300 -0.053 0.000 1.069 377 M CA 1.522 56.798 55.300 -0.040 0.000 1.117 377 M CB -0.257 32.316 32.600 -0.046 0.000 1.334 377 M HN 0.018 nan 8.290 nan 0.000 0.407 378 V N 0.532 120.409 119.914 -0.062 0.000 2.407 378 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 378 V C 2.327 178.331 176.094 -0.151 0.000 1.055 378 V CA 2.112 64.363 62.300 -0.081 0.000 1.049 378 V CB -0.964 30.837 31.823 -0.037 0.000 0.662 378 V HN 0.559 nan 8.190 nan 0.000 0.455 379 E N -0.239 119.848 120.200 -0.188 0.000 2.150 379 E HA -0.280 4.069 4.350 -0.001 0.000 0.193 379 E C 2.277 178.832 176.600 -0.075 0.000 0.985 379 E CA 1.223 57.431 56.400 -0.321 0.000 0.814 379 E CB 0.002 29.621 29.700 -0.134 0.000 0.752 379 E HN 0.703 nan 8.360 nan 0.000 0.466 380 Q N 0.113 119.890 119.800 -0.038 0.000 2.079 380 Q HA -0.184 4.155 4.340 -0.001 0.000 0.200 380 Q C 1.889 177.890 176.000 0.002 0.000 0.974 380 Q CA 1.160 56.960 55.803 -0.006 0.000 0.840 380 Q CB 0.164 28.898 28.738 -0.006 0.000 0.898 380 Q HN 0.135 nan 8.270 nan 0.000 0.430 381 E N 0.158 120.357 120.200 -0.001 0.000 2.077 381 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 381 E C 1.638 178.269 176.600 0.051 0.000 0.989 381 E CA 0.774 57.196 56.400 0.037 0.000 0.800 381 E CB -0.429 29.276 29.700 0.009 0.000 0.746 381 E HN 0.389 nan 8.360 nan 0.000 0.452 382 F N 2.802 122.672 119.950 -0.133 0.000 2.069 382 F HA -0.230 4.297 4.527 -0.001 0.000 0.298 382 F C 1.765 177.559 175.800 -0.010 0.000 1.113 382 F CA 1.571 59.488 58.000 -0.137 0.000 1.214 382 F CB -0.408 38.396 39.000 -0.326 0.000 0.978 382 F HN -0.021 nan 8.300 nan 0.000 0.474 383 N N 0.753 119.338 118.700 -0.193 0.000 2.104 383 N HA -0.170 4.569 4.740 -0.001 0.000 0.190 383 N C 2.003 177.424 175.510 -0.148 0.000 1.024 383 N CA 1.594 54.516 53.050 -0.215 0.000 0.853 383 N CB -0.517 37.956 38.487 -0.024 0.000 1.008 383 N HN 0.415 nan 8.380 nan 0.000 0.424 384 R N 0.108 120.567 120.500 -0.068 0.000 2.081 384 R HA -0.013 4.327 4.340 -0.001 0.000 0.235 384 R C 1.842 178.127 176.300 -0.025 0.000 1.131 384 R CA 0.672 56.755 56.100 -0.029 0.000 0.960 384 R CB -0.237 30.068 30.300 0.008 0.000 0.856 384 R HN 0.101 nan 8.270 nan 0.000 0.436 385 L N 0.722 121.933 121.223 -0.019 0.000 2.046 385 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 385 L C 2.210 179.069 176.870 -0.018 0.000 1.077 385 L CA 1.488 56.343 54.840 0.026 0.000 0.747 385 L CB -0.865 41.272 42.059 0.130 0.000 0.896 385 L HN 0.217 nan 8.230 nan 0.000 0.432 386 L N -0.941 120.200 121.223 -0.137 0.000 2.027 386 L HA -0.180 4.159 4.340 -0.001 0.000 0.206 386 L C 2.650 179.533 176.870 0.021 0.000 1.074 386 L CA 1.080 55.862 54.840 -0.097 0.000 0.745 386 L CB -0.316 41.598 42.059 -0.243 0.000 0.898 386 L HN 0.330 nan 8.230 nan 0.000 0.433 387 E N 0.426 120.627 120.200 0.002 0.000 2.085 387 E HA -0.255 4.095 4.350 -0.001 0.000 0.194 387 E C 2.059 178.708 176.600 0.082 0.000 0.994 387 E CA 1.516 57.946 56.400 0.050 0.000 0.801 387 E CB 0.070 29.780 29.700 0.017 0.000 0.743 387 E HN 0.468 nan 8.360 nan 0.000 0.453 388 A N 0.570 123.422 122.820 0.052 0.000 1.883 388 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 388 A C 2.458 180.118 177.584 0.127 0.000 1.186 388 A CA 2.926 55.010 52.037 0.079 0.000 0.624 388 A CB -1.264 17.755 19.000 0.032 0.000 0.822 388 A HN 0.509 nan 8.150 nan 0.000 0.444 389 T N -2.877 111.734 114.554 0.096 0.000 2.833 389 T HA -0.156 4.193 4.350 -0.001 0.000 0.269 389 T C 2.038 176.788 174.700 0.083 0.000 1.054 389 T CA 1.958 64.116 62.100 0.096 0.000 1.135 389 T CB -0.633 68.275 68.868 0.067 0.000 0.869 389 T HN 0.378 nan 8.240 nan 0.000 0.466 390 S N -0.018 115.752 115.700 0.117 0.000 2.383 390 S HA -0.096 4.373 4.470 -0.001 0.000 0.227 390 S C 1.797 176.445 174.600 0.080 0.000 1.026 390 S CA 0.777 59.036 58.200 0.098 0.000 0.981 390 S CB -0.706 62.613 63.200 0.199 0.000 0.818 390 S HN 0.651 nan 8.310 nan 0.000 0.472 391 Y N 1.353 121.670 120.300 0.028 0.000 2.163 391 Y HA -0.006 4.544 4.550 -0.001 0.000 0.288 391 Y C 1.921 177.831 175.900 0.016 0.000 1.136 391 Y CA 1.380 59.497 58.100 0.028 0.000 1.147 391 Y CB -0.619 37.850 38.460 0.015 0.000 0.987 391 Y HN 0.245 nan 8.280 nan 0.000 0.509 392 L N -0.552 120.713 121.223 0.070 0.000 2.042 392 L HA -0.223 4.116 4.340 -0.001 0.000 0.210 392 L C 2.832 179.694 176.870 -0.014 0.000 1.076 392 L CA 2.218 57.084 54.840 0.044 0.000 0.749 392 L CB -1.311 40.867 42.059 0.199 0.000 0.893 392 L HN 0.345 nan 8.230 nan 0.000 0.432 393 S N -1.631 113.995 115.700 -0.123 0.000 2.348 393 S HA -0.078 4.391 4.470 -0.001 0.000 0.219 393 S C 1.196 175.598 174.600 -0.330 0.000 1.033 393 S CA 0.362 58.382 58.200 -0.299 0.000 0.974 393 S CB -0.215 62.656 63.200 -0.548 0.000 0.868 393 S HN 0.524 nan 8.310 nan 0.000 0.459 394 H N 0.726 119.758 119.070 -0.064 0.000 2.638 394 H HA 0.486 5.041 4.556 -0.001 0.000 0.293 394 H C 0.611 175.857 175.328 -0.137 0.000 1.316 394 H CA 0.084 56.083 56.048 -0.081 0.000 1.099 394 H CB 0.596 30.328 29.762 -0.049 0.000 1.515 394 H HN 0.424 nan 8.280 nan 0.000 0.505 395 Q N -0.264 119.447 119.800 -0.148 0.000 2.200 395 Q HA 0.135 4.474 4.340 -0.001 0.000 0.162 395 Q C 0.492 176.337 176.000 -0.259 0.000 0.680 395 Q CA 0.079 55.718 55.803 -0.273 0.000 0.892 395 Q CB 0.155 28.494 28.738 -0.664 0.000 1.178 395 Q HN 0.324 nan 8.270 nan 0.000 0.347 396 L N 1.463 122.508 121.223 -0.296 0.000 2.653 396 L HA 0.325 4.664 4.340 -0.001 0.000 0.231 396 L C -0.208 176.638 176.870 -0.041 0.000 1.153 396 L CA 0.328 55.074 54.840 -0.157 0.000 0.933 396 L CB 0.070 42.035 42.059 -0.157 0.000 1.175 396 L HN 0.366 nan 8.230 nan 0.000 0.473 397 D N 1.255 121.629 120.400 -0.044 0.000 2.706 397 D HA -0.300 4.339 4.640 -0.001 0.000 0.230 397 D C 0.006 176.343 176.300 0.060 0.000 1.184 397 D CA 0.426 54.423 54.000 -0.005 0.000 0.628 397 D CB -0.866 39.933 40.800 -0.001 0.000 1.019 397 D HN 0.270 nan 8.370 nan 0.000 0.415 398 F N 0.893 120.784 119.950 -0.098 0.000 2.573 398 F HA 0.383 4.910 4.527 -0.001 0.000 0.349 398 F C 0.614 176.370 175.800 -0.073 0.000 1.213 398 F CA -0.652 57.304 58.000 -0.074 0.000 1.300 398 F CB -0.248 38.710 39.000 -0.071 0.000 1.661 398 F HN 0.003 nan 8.300 nan 0.000 0.616 399 N N 1.776 120.325 118.700 -0.250 0.000 2.227 399 N HA 0.131 4.871 4.740 -0.001 0.000 0.196 399 N C -0.636 174.707 175.510 -0.277 0.000 1.142 399 N CA 0.350 53.212 53.050 -0.314 0.000 0.887 399 N CB 1.525 39.906 38.487 -0.177 0.000 1.022 399 N HN 0.207 nan 8.380 nan 0.000 0.500 400 V N 1.681 121.469 119.914 -0.209 0.000 2.789 400 V HA 0.527 4.646 4.120 -0.001 0.000 0.311 400 V C -1.086 174.959 176.094 -0.082 0.000 1.073 400 V CA -0.850 61.375 62.300 -0.125 0.000 0.921 400 V CB 2.798 34.591 31.823 -0.049 0.000 1.009 400 V HN -0.072 nan 8.190 nan 0.000 0.426 401 L N 4.197 125.385 121.223 -0.058 0.000 2.516 401 L HA 0.619 4.958 4.340 -0.001 0.000 0.267 401 L C -0.168 176.707 176.870 0.008 0.000 0.957 401 L CA 0.121 54.968 54.840 0.012 0.000 0.860 401 L CB 1.655 43.738 42.059 0.039 0.000 1.265 401 L HN 0.680 nan 8.230 nan 0.000 0.403 402 N N 3.843 122.556 118.700 0.021 0.000 2.735 402 N HA -0.228 4.511 4.740 -0.001 0.000 0.248 402 N C 0.290 175.803 175.510 0.005 0.000 1.083 402 N CA 1.086 54.145 53.050 0.014 0.000 0.703 402 N CB -1.166 37.329 38.487 0.014 0.000 1.005 402 N HN 0.781 nan 8.380 nan 0.000 0.550 403 N N -2.774 115.928 118.700 0.003 0.000 2.900 403 N HA -0.221 4.519 4.740 -0.001 0.000 0.240 403 N C -0.790 174.716 175.510 -0.008 0.000 0.953 403 N CA 1.670 54.719 53.050 -0.001 0.000 0.950 403 N CB -0.620 37.868 38.487 0.002 0.000 1.102 403 N HN 0.618 nan 8.380 nan 0.000 0.593 404 K N 1.058 121.450 120.400 -0.014 0.000 2.159 404 K HA 0.462 4.781 4.320 -0.001 0.000 0.266 404 K C -2.535 174.040 176.600 -0.041 0.000 0.975 404 K CA -1.554 54.721 56.287 -0.020 0.000 0.865 404 K CB 1.191 33.681 32.500 -0.017 0.000 1.087 404 K HN -0.128 nan 8.250 nan 0.000 0.446 405 P HA 0.007 nan 4.420 nan 0.000 0.271 405 P C -0.663 176.580 177.300 -0.094 0.000 1.216 405 P CA -0.370 62.696 63.100 -0.057 0.000 0.776 405 P CB 0.589 32.281 31.700 -0.014 0.000 0.881 406 V N 2.891 122.702 119.914 -0.172 0.000 2.583 406 V HA 0.214 4.334 4.120 -0.001 0.000 0.287 406 V C 0.796 176.798 176.094 -0.154 0.000 1.051 406 V CA 0.007 62.171 62.300 -0.227 0.000 1.010 406 V CB 0.891 32.421 31.823 -0.488 0.000 0.988 406 V HN 0.687 nan 8.190 nan 0.000 0.478 407 S N 4.427 120.055 115.700 -0.120 0.000 2.672 407 S HA 0.414 4.883 4.470 -0.001 0.000 0.276 407 S C 0.711 175.233 174.600 -0.130 0.000 1.207 407 S CA -0.618 57.526 58.200 -0.094 0.000 1.002 407 S CB 1.431 64.582 63.200 -0.083 0.000 0.998 407 S HN 0.534 nan 8.310 nan 0.000 0.542 408 L N 2.108 123.235 121.223 -0.161 0.000 2.046 408 L HA 0.165 4.504 4.340 -0.001 0.000 0.208 408 L C 2.294 179.017 176.870 -0.246 0.000 1.077 408 L CA 2.442 57.136 54.840 -0.244 0.000 0.747 408 L CB -1.520 40.248 42.059 -0.483 0.000 0.896 408 L HN 0.980 nan 8.230 nan 0.000 0.432 409 G N -1.433 107.217 108.800 -0.249 0.000 2.418 409 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.217 409 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.217 409 G C 1.519 176.311 174.900 -0.180 0.000 1.158 409 G CA 0.775 45.718 45.100 -0.261 0.000 0.771 409 G HN 0.521 nan 8.290 nan 0.000 0.545 410 Q N -0.084 119.642 119.800 -0.124 0.000 2.050 410 Q HA -0.066 4.273 4.340 -0.001 0.000 0.202 410 Q C 2.942 178.934 176.000 -0.014 0.000 0.980 410 Q CA 1.506 57.271 55.803 -0.064 0.000 0.840 410 Q CB -0.274 28.426 28.738 -0.064 0.000 0.898 410 Q HN 0.445 nan 8.270 nan 0.000 0.424 411 A N 0.458 123.266 122.820 -0.020 0.000 1.902 411 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 411 A C 2.027 179.636 177.584 0.041 0.000 1.181 411 A CA 1.044 53.130 52.037 0.082 0.000 0.623 411 A CB -0.678 18.354 19.000 0.052 0.000 0.818 411 A HN 0.406 nan 8.150 nan 0.000 0.443 412 L N -0.502 120.691 121.223 -0.049 0.000 2.017 412 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 412 L C 2.608 179.470 176.870 -0.013 0.000 1.073 412 L CA 1.343 56.150 54.840 -0.055 0.000 0.745 412 L CB -0.526 41.397 42.059 -0.227 0.000 0.894 412 L HN 0.326 nan 8.230 nan 0.000 0.432 413 E N -0.314 119.860 120.200 -0.043 0.000 2.153 413 E HA -0.147 4.202 4.350 -0.001 0.000 0.194 413 E C 2.340 178.953 176.600 0.021 0.000 0.988 413 E CA 0.911 57.310 56.400 -0.002 0.000 0.811 413 E CB -0.366 29.321 29.700 -0.020 0.000 0.746 413 E HN 0.303 nan 8.360 nan 0.000 0.466 414 V N 0.761 120.693 119.914 0.030 0.000 2.379 414 V HA -0.176 3.944 4.120 -0.001 0.000 0.245 414 V C 2.469 178.561 176.094 -0.003 0.000 1.044 414 V CA 1.091 63.407 62.300 0.026 0.000 1.036 414 V CB -0.322 31.543 31.823 0.069 0.000 0.664 414 V HN 0.068 nan 8.190 nan 0.000 0.453 415 V N -0.102 119.820 119.914 0.012 0.000 2.427 415 V HA -0.207 3.912 4.120 -0.001 0.000 0.248 415 V C 2.304 178.371 176.094 -0.044 0.000 1.051 415 V CA 1.472 63.765 62.300 -0.012 0.000 1.048 415 V CB -0.466 31.370 31.823 0.021 0.000 0.666 415 V HN 0.383 nan 8.190 nan 0.000 0.456 416 I N -0.167 120.409 120.570 0.010 0.000 2.226 416 I HA -0.249 3.921 4.170 -0.001 0.000 0.245 416 I C 2.563 178.639 176.117 -0.067 0.000 1.100 416 I CA 1.582 62.891 61.300 0.015 0.000 1.374 416 I CB -1.255 36.838 38.000 0.156 0.000 1.057 416 I HN 0.427 nan 8.210 nan 0.000 0.413 417 Q N 0.301 120.085 119.800 -0.026 0.000 2.096 417 Q HA -0.179 4.160 4.340 -0.001 0.000 0.204 417 Q C 2.440 178.399 176.000 -0.069 0.000 0.982 417 Q CA 1.335 57.120 55.803 -0.030 0.000 0.850 417 Q CB -0.095 28.635 28.738 -0.013 0.000 0.901 417 Q HN 0.493 nan 8.270 nan 0.000 0.422 418 L N 0.280 121.449 121.223 -0.091 0.000 2.093 418 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 418 L C 2.525 179.312 176.870 -0.138 0.000 1.085 418 L CA 0.783 55.565 54.840 -0.098 0.000 0.755 418 L CB -0.419 41.580 42.059 -0.101 0.000 0.904 418 L HN 0.251 nan 8.230 nan 0.000 0.435 419 Q N 0.261 119.895 119.800 -0.276 0.000 2.084 419 Q HA -0.210 4.130 4.340 -0.001 0.000 0.202 419 Q C 2.063 177.865 176.000 -0.330 0.000 0.978 419 Q CA 1.507 57.023 55.803 -0.478 0.000 0.844 419 Q CB -0.162 27.814 28.738 -1.269 0.000 0.898 419 Q HN 0.591 nan 8.270 nan 0.000 0.426 420 E N 0.407 120.465 120.200 -0.236 0.000 2.106 420 E HA -0.190 4.159 4.350 -0.001 0.000 0.192 420 E C 1.946 178.525 176.600 -0.035 0.000 0.984 420 E CA 1.009 57.377 56.400 -0.053 0.000 0.806 420 E CB 0.030 29.738 29.700 0.015 0.000 0.750 420 E HN 0.027 nan 8.360 nan 0.000 0.458 421 K N 0.678 121.055 120.400 -0.038 0.000 2.026 421 K HA -0.221 4.098 4.320 -0.001 0.000 0.208 421 K C 2.017 178.610 176.600 -0.012 0.000 1.048 421 K CA 1.764 58.039 56.287 -0.020 0.000 0.929 421 K CB -0.433 32.058 32.500 -0.016 0.000 0.713 421 K HN 0.131 nan 8.250 nan 0.000 0.439 422 H N -0.348 118.665 119.070 -0.095 0.000 2.352 422 H HA -0.041 4.514 4.556 -0.001 0.000 0.299 422 H C 1.694 176.974 175.328 -0.081 0.000 1.097 422 H CA 1.983 57.979 56.048 -0.088 0.000 1.311 422 H CB -0.272 29.428 29.762 -0.102 0.000 1.377 422 H HN 0.036 nan 8.280 nan 0.000 0.504 423 V N 0.835 120.648 119.914 -0.168 0.000 2.295 423 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 423 V C 2.567 178.530 176.094 -0.219 0.000 1.049 423 V CA 2.241 64.423 62.300 -0.196 0.000 1.024 423 V CB -0.545 31.260 31.823 -0.030 0.000 0.648 423 V HN 0.476 nan 8.190 nan 0.000 0.447 424 K N -0.289 120.022 120.400 -0.147 0.000 2.147 424 K HA -0.224 4.095 4.320 -0.001 0.000 0.205 424 K C 1.734 178.218 176.600 -0.192 0.000 1.049 424 K CA 1.836 58.033 56.287 -0.149 0.000 0.936 424 K CB -0.187 32.276 32.500 -0.062 0.000 0.722 424 K HN 0.447 nan 8.250 nan 0.000 0.446 425 D N 1.016 121.310 120.400 -0.176 0.000 2.117 425 D HA -0.122 4.518 4.640 -0.001 0.000 0.198 425 D C 1.611 177.785 176.300 -0.209 0.000 0.982 425 D CA 1.047 54.955 54.000 -0.153 0.000 0.828 425 D CB -0.007 40.734 40.800 -0.098 0.000 0.967 425 D HN 0.370 nan 8.370 nan 0.000 0.464 426 E N 0.400 120.416 120.200 -0.307 0.000 2.274 426 E HA -0.146 4.203 4.350 -0.001 0.000 0.194 426 E C 1.936 178.356 176.600 -0.300 0.000 0.996 426 E CA 0.280 56.510 56.400 -0.283 0.000 0.840 426 E CB 0.073 29.561 29.700 -0.354 0.000 0.772 426 E HN 0.379 nan 8.360 nan 0.000 0.491 427 Q N 0.609 120.158 119.800 -0.418 0.000 2.049 427 Q HA -0.135 4.205 4.340 -0.001 0.000 0.198 427 Q C 2.220 177.714 176.000 -0.843 0.000 0.971 427 Q CA 0.809 56.184 55.803 -0.713 0.000 0.833 427 Q CB 0.182 28.428 28.738 -0.820 0.000 0.896 427 Q HN 0.143 nan 8.270 nan 0.000 0.434 428 I N 1.582 121.847 120.570 -0.509 0.000 2.118 428 I HA -0.291 3.878 4.170 -0.001 0.000 0.241 428 I C 2.083 178.174 176.117 -0.043 0.000 1.070 428 I CA 1.733 62.937 61.300 -0.160 0.000 1.327 428 I CB -1.281 36.703 38.000 -0.027 0.000 1.034 428 I HN 0.380 nan 8.210 nan 0.000 0.405 429 E N -0.656 119.497 120.200 -0.077 0.000 2.118 429 E HA -0.266 4.084 4.350 -0.001 0.000 0.195 429 E C 2.204 178.804 176.600 0.000 0.000 0.992 429 E CA 1.044 57.430 56.400 -0.024 0.000 0.804 429 E CB -0.331 29.347 29.700 -0.036 0.000 0.741 429 E HN 0.575 nan 8.360 nan 0.000 0.458 430 H N -0.221 118.765 119.070 -0.141 0.000 2.357 430 H HA -0.129 4.426 4.556 -0.001 0.000 0.301 430 H C 1.693 177.050 175.328 0.048 0.000 1.082 430 H CA 1.267 57.258 56.048 -0.096 0.000 1.342 430 H CB 0.011 29.656 29.762 -0.194 0.000 1.389 430 H HN 0.275 nan 8.280 nan 0.000 0.511 431 W N 1.664 122.998 121.300 0.056 0.000 2.363 431 W HA -0.092 4.567 4.660 -0.001 0.000 0.296 431 W C 2.439 178.926 176.519 -0.054 0.000 1.212 431 W CA 0.561 57.908 57.345 0.004 0.000 1.260 431 W CB -0.480 29.002 29.460 0.036 0.000 1.131 431 W HN 0.245 nan 8.180 nan 0.000 0.530 432 K N 0.281 120.789 120.400 0.180 0.000 2.148 432 K HA -0.139 4.180 4.320 -0.001 0.000 0.204 432 K C 1.945 178.553 176.600 0.013 0.000 1.050 432 K CA 1.168 57.504 56.287 0.083 0.000 0.942 432 K CB -0.186 32.352 32.500 0.063 0.000 0.724 432 K HN 0.077 nan 8.250 nan 0.000 0.446 433 K N 0.495 120.869 120.400 -0.043 0.000 2.057 433 K HA -0.064 4.255 4.320 -0.001 0.000 0.206 433 K C 2.026 178.572 176.600 -0.090 0.000 1.050 433 K CA 0.844 57.078 56.287 -0.087 0.000 0.935 433 K CB 0.003 32.409 32.500 -0.157 0.000 0.715 433 K HN 0.030 nan 8.250 nan 0.000 0.439 434 I N 0.957 121.462 120.570 -0.108 0.000 2.113 434 I HA -0.236 3.934 4.170 -0.001 0.000 0.238 434 I C 2.356 178.461 176.117 -0.020 0.000 1.070 434 I CA 1.332 62.596 61.300 -0.060 0.000 1.332 434 I CB -1.020 36.978 38.000 -0.003 0.000 1.044 434 I HN -0.076 nan 8.210 nan 0.000 0.402 435 V N 1.164 121.080 119.914 0.003 0.000 2.392 435 V HA -0.292 3.827 4.120 -0.001 0.000 0.249 435 V C 2.597 178.686 176.094 -0.008 0.000 1.059 435 V CA 1.960 64.259 62.300 -0.001 0.000 1.051 435 V CB -0.764 31.065 31.823 0.010 0.000 0.658 435 V HN 0.343 nan 8.190 nan 0.000 0.455 436 K N 0.355 120.750 120.400 -0.009 0.000 2.026 436 K HA -0.147 4.173 4.320 -0.001 0.000 0.208 436 K C 2.135 178.725 176.600 -0.018 0.000 1.048 436 K CA 2.202 58.481 56.287 -0.012 0.000 0.929 436 K CB -0.914 31.578 32.500 -0.013 0.000 0.713 436 K HN 0.430 nan 8.250 nan 0.000 0.439 437 T N 1.073 115.613 114.554 -0.023 0.000 2.788 437 T HA -0.104 4.245 4.350 -0.001 0.000 0.268 437 T C 1.628 176.317 174.700 -0.020 0.000 1.044 437 T CA 1.397 63.483 62.100 -0.023 0.000 1.139 437 T CB -0.131 68.720 68.868 -0.028 0.000 0.867 437 T HN 0.379 nan 8.240 nan 0.000 0.454 438 Q N 0.388 120.177 119.800 -0.018 0.000 2.224 438 Q HA -0.069 4.270 4.340 -0.001 0.000 0.203 438 Q C 2.225 178.215 176.000 -0.017 0.000 0.970 438 Q CA 0.997 56.790 55.803 -0.016 0.000 0.865 438 Q CB -0.037 28.691 28.738 -0.016 0.000 0.922 438 Q HN 0.632 nan 8.270 nan 0.000 0.445 439 E N 0.904 121.094 120.200 -0.016 0.000 2.076 439 E HA -0.129 4.220 4.350 -0.001 0.000 0.190 439 E C 1.756 178.346 176.600 -0.017 0.000 0.979 439 E CA 0.590 56.981 56.400 -0.015 0.000 0.807 439 E CB 0.118 29.810 29.700 -0.013 0.000 0.761 439 E HN 0.370 nan 8.360 nan 0.000 0.454 440 E N 0.873 121.062 120.200 -0.018 0.000 2.153 440 E HA -0.172 4.178 4.350 -0.001 0.000 0.194 440 E C 2.163 178.748 176.600 -0.024 0.000 0.988 440 E CA 0.679 57.066 56.400 -0.021 0.000 0.811 440 E CB -0.009 29.679 29.700 -0.021 0.000 0.746 440 E HN 0.236 nan 8.360 nan 0.000 0.466 441 L N 0.946 122.155 121.223 -0.023 0.000 2.023 441 L HA -0.162 4.178 4.340 -0.001 0.000 0.205 441 L C 2.696 179.551 176.870 -0.025 0.000 1.073 441 L CA 1.102 55.927 54.840 -0.025 0.000 0.745 441 L CB -0.344 41.703 42.059 -0.021 0.000 0.900 441 L HN 0.047 nan 8.230 nan 0.000 0.435 442 K N 0.525 120.913 120.400 -0.020 0.000 2.044 442 K HA -0.251 4.069 4.320 -0.001 0.000 0.210 442 K C 1.880 178.469 176.600 -0.020 0.000 1.049 442 K CA 1.966 58.242 56.287 -0.018 0.000 0.927 442 K CB -0.034 32.456 32.500 -0.015 0.000 0.713 442 K HN 0.371 nan 8.250 nan 0.000 0.443 443 E N 0.686 120.874 120.200 -0.020 0.000 2.110 443 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 443 E C 1.950 178.533 176.600 -0.028 0.000 0.988 443 E CA 0.661 57.048 56.400 -0.021 0.000 0.804 443 E CB -0.048 29.640 29.700 -0.020 0.000 0.745 443 E HN 0.239 nan 8.360 nan 0.000 0.458 444 L N 0.729 121.931 121.223 -0.035 0.000 2.072 444 L HA -0.122 4.217 4.340 -0.001 0.000 0.205 444 L C 2.000 178.835 176.870 -0.059 0.000 1.079 444 L CA 1.347 56.157 54.840 -0.050 0.000 0.752 444 L CB -0.360 41.666 42.059 -0.054 0.000 0.906 444 L HN 0.186 nan 8.230 nan 0.000 0.436 445 L N 0.582 121.778 121.223 -0.045 0.000 2.083 445 L HA -0.199 4.141 4.340 -0.001 0.000 0.209 445 L C 2.501 179.356 176.870 -0.025 0.000 1.083 445 L CA 1.557 56.374 54.840 -0.038 0.000 0.752 445 L CB -1.172 40.874 42.059 -0.022 0.000 0.899 445 L HN 0.433 nan 8.230 nan 0.000 0.433 446 N N 0.903 119.591 118.700 -0.021 0.000 2.188 446 N HA -0.229 4.510 4.740 -0.001 0.000 0.184 446 N C 1.807 177.311 175.510 -0.011 0.000 1.018 446 N CA 1.545 54.588 53.050 -0.011 0.000 0.858 446 N CB 0.192 38.672 38.487 -0.011 0.000 0.989 446 N HN 0.540 nan 8.380 nan 0.000 0.426 447 K N -0.193 120.193 120.400 -0.023 0.000 2.305 447 K HA 0.069 4.388 4.320 -0.001 0.000 0.199 447 K C 2.082 178.669 176.600 -0.021 0.000 1.047 447 K CA 0.676 56.950 56.287 -0.021 0.000 0.976 447 K CB -0.058 32.424 32.500 -0.031 0.000 0.765 447 K HN 0.108 nan 8.250 nan 0.000 0.474 448 M N 0.795 120.368 119.600 -0.045 0.000 2.236 448 M HA -0.067 4.412 4.480 -0.001 0.000 0.266 448 M C 1.962 178.318 176.300 0.093 0.000 1.070 448 M CA 0.931 56.197 55.300 -0.058 0.000 1.137 448 M CB -0.013 32.472 32.600 -0.192 0.000 1.378 448 M HN -0.009 nan 8.290 nan 0.000 0.426 449 V N 1.192 121.141 119.914 0.057 0.000 2.490 449 V HA -0.284 3.836 4.120 -0.001 0.000 0.250 449 V C 1.587 177.715 176.094 0.057 0.000 1.061 449 V CA 1.913 64.254 62.300 0.068 0.000 1.064 449 V CB -0.921 30.922 31.823 0.034 0.000 0.670 449 V HN 0.553 nan 8.190 nan 0.000 0.461 450 N N -0.474 118.250 118.700 0.040 0.000 2.354 450 N HA -0.078 4.661 4.740 -0.001 0.000 0.179 450 N C 1.606 177.138 175.510 0.037 0.000 1.021 450 N CA 0.497 53.564 53.050 0.027 0.000 0.887 450 N CB 0.004 38.499 38.487 0.013 0.000 0.974 450 N HN 0.298 nan 8.380 nan 0.000 0.437 451 L N 1.477 122.743 121.223 0.072 0.000 2.240 451 L HA 0.034 4.373 4.340 -0.001 0.000 0.211 451 L C 1.865 178.793 176.870 0.097 0.000 1.106 451 L CA 1.387 56.286 54.840 0.099 0.000 0.793 451 L CB -0.106 42.050 42.059 0.161 0.000 0.927 451 L HN -0.087 nan 8.230 nan 0.000 0.446 452 K N -0.333 120.136 120.400 0.115 0.000 2.062 452 K HA -0.144 4.175 4.320 -0.001 0.000 0.205 452 K C 1.984 178.568 176.600 -0.026 0.000 1.051 452 K CA 1.039 57.333 56.287 0.012 0.000 0.941 452 K CB -0.037 32.489 32.500 0.044 0.000 0.719 452 K HN 0.229 nan 8.250 nan 0.000 0.440 453 E N 1.548 121.747 120.200 -0.002 0.000 2.204 453 E HA -0.144 4.205 4.350 -0.001 0.000 0.194 453 E C 1.777 178.354 176.600 -0.037 0.000 0.989 453 E CA 1.328 57.718 56.400 -0.017 0.000 0.824 453 E CB 0.072 29.770 29.700 -0.003 0.000 0.756 453 E HN 0.151 nan 8.360 nan 0.000 0.477 454 K N -0.584 119.794 120.400 -0.036 0.000 2.243 454 K HA -0.014 4.305 4.320 -0.001 0.000 0.201 454 K C 1.387 177.916 176.600 -0.119 0.000 1.051 454 K CA 0.612 56.865 56.287 -0.056 0.000 0.970 454 K CB 0.090 32.572 32.500 -0.029 0.000 0.755 454 K HN 0.092 nan 8.250 nan 0.000 0.465 455 I N 1.904 122.390 120.570 -0.139 0.000 2.406 455 I HA -0.139 4.030 4.170 -0.001 0.000 0.249 455 I C 1.735 177.688 176.117 -0.274 0.000 1.122 455 I CA 1.245 62.397 61.300 -0.247 0.000 1.431 455 I CB -0.416 37.434 38.000 -0.250 0.000 1.087 455 I HN 0.042 nan 8.210 nan 0.000 0.424 456 K N 0.518 120.826 120.400 -0.152 0.000 2.097 456 K HA -0.167 4.153 4.320 -0.001 0.000 0.206 456 K C 1.849 178.376 176.600 -0.121 0.000 1.049 456 K CA 1.249 57.480 56.287 -0.093 0.000 0.933 456 K CB -0.208 32.264 32.500 -0.047 0.000 0.717 456 K HN 0.363 nan 8.250 nan 0.000 0.442 457 E N 0.666 120.784 120.200 -0.137 0.000 2.267 457 E HA -0.167 4.182 4.350 -0.001 0.000 0.197 457 E C 1.729 178.185 176.600 -0.241 0.000 0.998 457 E CA 0.876 57.200 56.400 -0.127 0.000 0.830 457 E CB -0.013 29.633 29.700 -0.090 0.000 0.751 457 E HN 0.319 nan 8.360 nan 0.000 0.491 458 L N -1.348 119.597 121.223 -0.465 0.000 2.349 458 L HA 0.087 4.426 4.340 -0.001 0.000 0.200 458 L C 1.262 177.753 176.870 -0.632 0.000 1.064 458 L CA 0.253 54.459 54.840 -1.058 0.000 0.821 458 L CB -0.303 40.863 42.059 -1.489 0.000 1.027 458 L HN 0.080 nan 8.230 nan 0.000 0.476 459 H N 2.205 121.069 119.070 -0.342 0.000 3.792 459 H HA 0.179 4.734 4.556 -0.001 0.000 0.216 459 H C -0.398 174.863 175.328 -0.113 0.000 1.525 459 H CA -0.065 55.881 56.048 -0.170 0.000 1.309 459 H CB -0.050 29.631 29.762 -0.135 0.000 1.540 459 H HN 0.235 nan 8.280 nan 0.000 0.711 460 Q N 0.240 120.045 119.800 0.008 0.000 2.896 460 Q HA -0.068 4.272 4.340 -0.001 0.000 0.241 460 Q C -0.179 175.852 176.000 0.052 0.000 0.999 460 Q CA -0.097 55.723 55.803 0.028 0.000 0.912 460 Q CB 1.456 30.197 28.738 0.005 0.000 2.012 460 Q HN 0.629 nan 8.270 nan 0.000 0.489 461 Q N 0.440 120.307 119.800 0.112 0.000 4.217 461 Q HA -0.256 4.083 4.340 -0.001 0.000 0.234 461 Q C -0.762 175.404 176.000 0.276 0.000 2.604 461 Q CA 1.601 57.513 55.803 0.182 0.000 0.312 461 Q CB -1.215 27.655 28.738 0.222 0.000 0.198 461 Q HN 0.627 nan 8.270 nan 0.000 0.546 462 Y N 2.589 122.905 120.300 0.027 0.000 2.781 462 Y HA 0.260 4.810 4.550 -0.001 0.000 0.365 462 Y C 0.649 176.573 175.900 0.039 0.000 1.291 462 Y CA 1.565 59.684 58.100 0.032 0.000 1.772 462 Y CB -0.158 38.325 38.460 0.039 0.000 1.361 462 Y HN 0.307 nan 8.280 nan 0.000 0.484 463 K N 1.747 122.224 120.400 0.129 0.000 2.751 463 K HA 0.050 4.370 4.320 -0.001 0.000 0.135 463 K C -1.191 175.437 176.600 0.047 0.000 1.656 463 K CA 0.030 56.366 56.287 0.081 0.000 0.608 463 K CB -0.316 32.239 32.500 0.090 0.000 1.381 463 K HN 0.653 nan 8.250 nan 0.000 0.347 475 T N 1.946 116.521 114.554 0.034 0.000 3.148 475 T HA 0.311 4.660 4.350 -0.001 0.000 0.253 475 T C 1.971 176.724 174.700 0.088 0.000 1.134 475 T CA 1.034 63.168 62.100 0.057 0.000 1.051 475 T CB 0.139 69.043 68.868 0.062 0.000 0.959 475 T HN 0.520 nan 8.240 nan 0.000 0.525 476 A N 2.041 124.892 122.820 0.052 0.000 2.023 476 A HA -0.281 4.039 4.320 -0.001 0.000 0.223 476 A C 2.113 179.725 177.584 0.046 0.000 1.180 476 A CA 1.997 54.055 52.037 0.034 0.000 0.659 476 A CB -0.676 18.332 19.000 0.014 0.000 0.817 476 A HN 0.619 nan 8.150 nan 0.000 0.466 477 E N -2.399 117.841 120.200 0.066 0.000 2.333 477 E HA -0.204 4.145 4.350 -0.001 0.000 0.200 477 E C 1.236 177.921 176.600 0.141 0.000 1.010 477 E CA 1.261 57.705 56.400 0.074 0.000 0.841 477 E CB -0.136 29.607 29.700 0.071 0.000 0.757 477 E HN 0.718 nan 8.360 nan 0.000 0.508 478 F N -0.826 119.110 119.950 -0.023 0.000 2.740 478 F HA 0.139 4.666 4.527 -0.001 0.000 0.304 478 F C 1.393 177.173 175.800 -0.032 0.000 1.098 478 F CA -0.236 57.750 58.000 -0.022 0.000 1.258 478 F CB 0.282 39.270 39.000 -0.020 0.000 1.061 478 F HN 0.012 nan 8.300 nan 0.000 0.598 479 L N -0.500 120.720 121.223 -0.005 0.000 2.270 479 L HA 0.114 4.453 4.340 -0.001 0.000 0.210 479 L C 1.750 178.532 176.870 -0.148 0.000 1.104 479 L CA 1.315 56.095 54.840 -0.101 0.000 0.804 479 L CB -0.465 41.571 42.059 -0.038 0.000 0.937 479 L HN -0.015 nan 8.230 nan 0.000 0.450 480 V N -0.730 119.130 119.914 -0.090 0.000 2.407 480 V HA -0.131 3.988 4.120 -0.001 0.000 0.245 480 V C 2.609 178.661 176.094 -0.069 0.000 1.041 480 V CA 1.081 63.342 62.300 -0.065 0.000 1.040 480 V CB -0.582 31.215 31.823 -0.043 0.000 0.671 480 V HN 0.303 nan 8.190 nan 0.000 0.455 481 K N 0.482 120.814 120.400 -0.113 0.000 2.032 481 K HA -0.134 4.185 4.320 -0.001 0.000 0.209 481 K C 2.444 178.956 176.600 -0.147 0.000 1.048 481 K CA 1.844 58.062 56.287 -0.116 0.000 0.927 481 K CB -0.661 31.738 32.500 -0.169 0.000 0.712 481 K HN 0.448 nan 8.250 nan 0.000 0.441 482 S N 1.259 116.773 115.700 -0.310 0.000 2.348 482 S HA -0.097 4.372 4.470 -0.001 0.000 0.221 482 S C 1.720 176.206 174.600 -0.190 0.000 1.033 482 S CA 1.206 59.221 58.200 -0.308 0.000 1.010 482 S CB -0.065 62.890 63.200 -0.408 0.000 0.891 482 S HN 0.209 nan 8.310 nan 0.000 0.442 483 K N 0.457 120.715 120.400 -0.236 0.000 2.360 483 K HA -0.047 4.272 4.320 -0.001 0.000 0.201 483 K C 1.785 178.453 176.600 0.114 0.000 1.046 483 K CA 1.068 57.182 56.287 -0.288 0.000 0.945 483 K CB -0.422 31.733 32.500 -0.574 0.000 0.750 483 K HN 0.480 nan 8.250 nan 0.000 0.464 484 H N 1.387 120.447 119.070 -0.017 0.000 2.329 484 H HA 0.034 4.589 4.556 -0.001 0.000 0.306 484 H C 1.836 177.172 175.328 0.014 0.000 1.062 484 H CA 1.708 57.773 56.048 0.028 0.000 1.364 484 H CB 0.190 29.953 29.762 0.001 0.000 1.409 484 H HN 0.156 nan 8.280 nan 0.000 0.519 485 R N 0.054 120.576 120.500 0.036 0.000 2.357 485 R HA -0.033 4.307 4.340 -0.001 0.000 0.202 485 R C 0.500 176.780 176.300 -0.032 0.000 1.047 485 R CA 1.451 57.538 56.100 -0.022 0.000 1.034 485 R CB 0.120 30.411 30.300 -0.015 0.000 0.875 485 R HN 0.284 nan 8.270 nan 0.000 0.473 486 D N 0.901 121.297 120.400 -0.007 0.000 2.414 486 D HA 0.005 4.645 4.640 -0.001 0.000 0.237 486 D C 1.775 178.091 176.300 0.026 0.000 0.975 486 D CA 0.499 54.518 54.000 0.031 0.000 0.917 486 D CB -0.067 40.786 40.800 0.090 0.000 1.061 486 D HN 0.129 nan 8.370 nan 0.000 0.480 487 L N 1.074 122.322 121.223 0.042 0.000 2.275 487 L HA -0.110 4.229 4.340 -0.001 0.000 0.215 487 L C 2.123 178.899 176.870 -0.156 0.000 1.119 487 L CA 1.370 56.157 54.840 -0.089 0.000 0.790 487 L CB -0.196 41.800 42.059 -0.106 0.000 0.919 487 L HN 0.175 nan 8.230 nan 0.000 0.443 488 T N -4.162 110.294 114.554 -0.164 0.000 2.937 488 T HA 0.038 4.388 4.350 -0.001 0.000 0.260 488 T C 1.880 176.532 174.700 -0.079 0.000 1.051 488 T CA 0.558 62.566 62.100 -0.152 0.000 1.141 488 T CB -0.310 68.446 68.868 -0.187 0.000 0.879 488 T HN 0.271 nan 8.240 nan 0.000 0.459 489 A N 1.599 124.385 122.820 -0.057 0.000 2.024 489 A HA 0.208 4.528 4.320 -0.001 0.000 0.220 489 A C 2.219 179.792 177.584 -0.019 0.000 1.164 489 A CA 0.951 52.971 52.037 -0.028 0.000 0.643 489 A CB -0.908 18.081 19.000 -0.018 0.000 0.806 489 A HN 0.580 nan 8.150 nan 0.000 0.451 490 L N -1.240 119.963 121.223 -0.034 0.000 2.627 490 L HA -0.024 4.315 4.340 -0.001 0.000 0.233 490 L C 1.269 178.141 176.870 0.003 0.000 1.144 490 L CA -0.067 54.760 54.840 -0.021 0.000 0.892 490 L CB -0.189 41.834 42.059 -0.058 0.000 1.039 490 L HN 0.494 nan 8.230 nan 0.000 0.442 491 C N -1.439 117.858 119.300 -0.005 0.000 3.270 491 C HA 0.006 4.465 4.460 -0.001 0.000 0.369 491 C C 2.428 177.448 174.990 0.051 0.000 1.326 491 C CA -0.365 58.669 59.018 0.027 0.000 1.846 491 C CB 0.167 27.890 27.740 -0.028 0.000 2.534 491 C HN 0.426 nan 8.230 nan 0.000 0.649 492 K N 1.351 121.763 120.400 0.021 0.000 2.486 492 K HA -0.018 4.302 4.320 -0.001 0.000 0.194 492 K C 1.487 178.100 176.600 0.023 0.000 1.033 492 K CA 1.099 57.396 56.287 0.017 0.000 1.004 492 K CB 0.097 32.598 32.500 0.003 0.000 0.798 492 K HN 0.556 nan 8.250 nan 0.000 0.495 493 E N -0.952 119.271 120.200 0.038 0.000 2.152 493 E HA -0.073 4.276 4.350 -0.001 0.000 0.195 493 E C 1.354 177.980 176.600 0.043 0.000 0.934 493 E CA 0.135 56.553 56.400 0.030 0.000 0.869 493 E CB -0.157 29.561 29.700 0.030 0.000 0.842 493 E HN 0.190 nan 8.360 nan 0.000 0.472 494 Y N 3.108 123.390 120.300 -0.030 0.000 2.044 494 Y HA -0.260 4.289 4.550 -0.001 0.000 0.264 494 Y C 1.807 177.695 175.900 -0.020 0.000 1.111 494 Y CA 2.549 60.633 58.100 -0.027 0.000 1.088 494 Y CB -0.459 37.981 38.460 -0.033 0.000 0.981 494 Y HN 0.077 nan 8.280 nan 0.000 0.478 495 D N -0.545 120.062 120.400 0.345 0.000 2.393 495 D HA -0.207 4.432 4.640 -0.001 0.000 0.220 495 D C 1.558 177.875 176.300 0.029 0.000 0.974 495 D CA 1.282 55.393 54.000 0.185 0.000 0.931 495 D CB -0.514 40.391 40.800 0.174 0.000 0.889 495 D HN 0.469 nan 8.370 nan 0.000 0.512 496 E N -0.364 119.837 120.200 0.003 0.000 2.216 496 E HA -0.012 4.337 4.350 -0.001 0.000 0.192 496 E C 1.531 178.093 176.600 -0.064 0.000 0.988 496 E CA 0.413 56.801 56.400 -0.021 0.000 0.834 496 E CB -0.130 29.563 29.700 -0.012 0.000 0.772 496 E HN 0.259 nan 8.360 nan 0.000 0.479 497 L N 0.047 121.192 121.223 -0.129 0.000 2.131 497 L HA 0.185 4.525 4.340 -0.001 0.000 0.206 497 L C 2.165 178.933 176.870 -0.170 0.000 1.087 497 L CA 1.462 56.201 54.840 -0.169 0.000 0.767 497 L CB -0.912 40.990 42.059 -0.262 0.000 0.917 497 L HN 0.195 nan 8.230 nan 0.000 0.441 498 A N -1.071 121.633 122.820 -0.193 0.000 2.125 498 A HA -0.217 4.102 4.320 -0.001 0.000 0.219 498 A C 2.298 179.847 177.584 -0.058 0.000 1.156 498 A CA 1.640 53.605 52.037 -0.120 0.000 0.671 498 A CB -0.399 18.568 19.000 -0.055 0.000 0.794 498 A HN 0.506 nan 8.150 nan 0.000 0.459 499 E N -0.222 119.949 120.200 -0.050 0.000 2.042 499 E HA -0.122 4.227 4.350 -0.001 0.000 0.189 499 E C 1.889 178.469 176.600 -0.033 0.000 0.974 499 E CA 1.429 57.812 56.400 -0.029 0.000 0.806 499 E CB -0.110 29.578 29.700 -0.019 0.000 0.769 499 E HN 0.630 nan 8.360 nan 0.000 0.451 500 T N -0.984 113.544 114.554 -0.044 0.000 3.155 500 T HA -0.103 4.247 4.350 -0.001 0.000 0.264 500 T C 1.575 176.248 174.700 -0.045 0.000 1.160 500 T CA 0.911 62.986 62.100 -0.040 0.000 1.075 500 T CB 0.196 69.038 68.868 -0.044 0.000 0.921 500 T HN 0.203 nan 8.240 nan 0.000 0.533 501 Q N 0.681 120.450 119.800 -0.053 0.000 2.324 501 Q HA 0.188 4.527 4.340 -0.001 0.000 0.207 501 Q C 2.456 178.436 176.000 -0.032 0.000 0.928 501 Q CA 0.797 56.569 55.803 -0.051 0.000 0.890 501 Q CB -0.519 28.177 28.738 -0.070 0.000 1.001 501 Q HN 0.557 nan 8.270 nan 0.000 0.517 502 G N 0.942 109.726 108.800 -0.027 0.000 2.471 502 G HA2 -0.144 3.815 3.960 -0.001 0.000 0.219 502 G HA3 -0.144 3.815 3.960 -0.001 0.000 0.219 502 G C 1.392 176.285 174.900 -0.013 0.000 1.125 502 G CA 0.192 45.283 45.100 -0.015 0.000 0.775 502 G HN 0.080 nan 8.290 nan 0.000 0.548 503 K N -0.369 120.021 120.400 -0.016 0.000 2.487 503 K HA 0.221 4.540 4.320 -0.001 0.000 0.192 503 K C 1.549 178.141 176.600 -0.014 0.000 1.027 503 K CA 0.151 56.430 56.287 -0.013 0.000 1.054 503 K CB 0.339 32.831 32.500 -0.014 0.000 0.824 503 K HN 0.271 nan 8.250 nan 0.000 0.510 504 L N -0.098 121.115 121.223 -0.016 0.000 2.433 504 L HA 0.109 4.448 4.340 -0.001 0.000 0.200 504 L C 1.726 178.589 176.870 -0.012 0.000 1.059 504 L CA 1.012 55.842 54.840 -0.016 0.000 0.835 504 L CB -0.212 41.834 42.059 -0.022 0.000 1.076 504 L HN 0.004 nan 8.230 nan 0.000 0.481 505 E N -0.226 119.967 120.200 -0.011 0.000 2.265 505 E HA -0.251 4.098 4.350 -0.001 0.000 0.196 505 E C 1.797 178.396 176.600 -0.002 0.000 0.996 505 E CA 1.117 57.513 56.400 -0.006 0.000 0.832 505 E CB 0.132 29.828 29.700 -0.006 0.000 0.756 505 E HN 0.470 nan 8.360 nan 0.000 0.491 506 E N 1.133 121.332 120.200 -0.002 0.000 2.060 506 E HA -0.155 4.194 4.350 -0.001 0.000 0.189 506 E C 2.039 178.641 176.600 0.003 0.000 0.974 506 E CA 0.664 57.065 56.400 0.001 0.000 0.808 506 E CB 0.138 29.837 29.700 -0.000 0.000 0.768 506 E HN -0.003 nan 8.360 nan 0.000 0.453 507 K N 0.439 120.838 120.400 -0.001 0.000 2.057 507 K HA -0.175 4.144 4.320 -0.001 0.000 0.207 507 K C 2.285 178.884 176.600 -0.002 0.000 1.049 507 K CA 1.039 57.325 56.287 -0.002 0.000 0.931 507 K CB -0.123 32.372 32.500 -0.009 0.000 0.714 507 K HN 0.118 nan 8.250 nan 0.000 0.440 508 L N 1.790 123.011 121.223 -0.004 0.000 1.948 508 L HA -0.216 4.123 4.340 -0.001 0.000 0.212 508 L C 2.479 179.357 176.870 0.014 0.000 1.074 508 L CA 1.954 56.793 54.840 -0.002 0.000 0.753 508 L CB -0.859 41.198 42.059 -0.003 0.000 0.888 508 L HN 0.303 nan 8.230 nan 0.000 0.432 509 Q N -0.975 118.835 119.800 0.016 0.000 2.308 509 Q HA -0.266 4.074 4.340 -0.001 0.000 0.209 509 Q C 2.121 178.142 176.000 0.034 0.000 0.985 509 Q CA 1.779 57.596 55.803 0.024 0.000 0.881 509 Q CB -0.212 28.536 28.738 0.017 0.000 0.917 509 Q HN 0.618 nan 8.270 nan 0.000 0.443 510 E N -0.192 120.026 120.200 0.030 0.000 2.107 510 E HA -0.152 4.197 4.350 -0.001 0.000 0.191 510 E C 1.659 178.299 176.600 0.066 0.000 0.982 510 E CA 0.655 57.077 56.400 0.038 0.000 0.809 510 E CB 0.158 29.874 29.700 0.027 0.000 0.756 510 E HN 0.327 nan 8.360 nan 0.000 0.459 511 L N 1.644 122.909 121.223 0.070 0.000 2.068 511 L HA -0.114 4.226 4.340 -0.001 0.000 0.204 511 L C 2.220 179.226 176.870 0.226 0.000 1.076 511 L CA 1.792 56.712 54.840 0.133 0.000 0.753 511 L CB -0.845 41.201 42.059 -0.021 0.000 0.910 511 L HN 0.207 nan 8.230 nan 0.000 0.439 512 E N -0.521 119.765 120.200 0.144 0.000 2.533 512 E HA -0.046 4.303 4.350 -0.001 0.000 0.201 512 E C 1.353 178.023 176.600 0.116 0.000 1.097 512 E CA 0.809 57.303 56.400 0.158 0.000 0.887 512 E CB -0.117 29.641 29.700 0.096 0.000 0.855 512 E HN 0.424 nan 8.360 nan 0.000 0.540 513 A N 1.090 123.969 122.820 0.099 0.000 2.287 513 A HA 0.166 4.486 4.320 -0.001 0.000 0.214 513 A C 0.463 178.073 177.584 0.043 0.000 1.228 513 A CA -0.324 51.748 52.037 0.059 0.000 0.939 513 A CB 0.333 19.359 19.000 0.044 0.000 0.992 513 A HN 0.068 nan 8.150 nan 0.000 0.502 514 N N 1.118 119.854 118.700 0.060 0.000 2.696 514 N HA 0.355 5.094 4.740 -0.001 0.000 0.308 514 N C -3.157 172.306 175.510 -0.078 0.000 1.915 514 N CA -0.935 52.123 53.050 0.014 0.000 0.906 514 N CB 0.734 39.242 38.487 0.036 0.000 1.284 514 N HN 0.189 nan 8.380 nan 0.000 0.488 515 P HA 0.273 nan 4.420 nan 0.000 0.275 515 P C -2.240 174.831 177.300 -0.381 0.000 1.228 515 P CA -0.806 62.013 63.100 -0.468 0.000 0.786 515 P CB 0.394 31.973 31.700 -0.202 0.000 0.927 516 P HA 0.170 nan 4.420 nan 0.000 0.275 516 P C -0.444 176.731 177.300 -0.207 0.000 1.266 516 P CA -0.372 62.556 63.100 -0.285 0.000 0.793 516 P CB 0.321 31.840 31.700 -0.302 0.000 1.074 517 S N 0.445 116.063 115.700 -0.137 0.000 2.558 517 S HA -0.084 4.385 4.470 -0.001 0.000 0.293 517 S C 1.056 175.598 174.600 -0.096 0.000 1.292 517 S CA 0.261 58.410 58.200 -0.086 0.000 1.063 517 S CB -0.038 63.140 63.200 -0.037 0.000 0.831 517 S HN 0.564 nan 8.310 nan 0.000 0.499 518 D N 1.630 121.997 120.400 -0.054 0.000 2.162 518 D HA -0.023 4.616 4.640 -0.001 0.000 0.203 518 D C 0.522 176.819 176.300 -0.004 0.000 0.967 518 D CA 0.865 54.850 54.000 -0.026 0.000 0.840 518 D CB 0.255 41.064 40.800 0.015 0.000 0.972 518 D HN 0.432 nan 8.370 nan 0.000 0.482 519 V N -3.078 116.843 119.914 0.012 0.000 3.188 519 V HA 0.330 4.450 4.120 -0.001 0.000 0.305 519 V C 0.358 176.506 176.094 0.090 0.000 1.232 519 V CA -1.028 61.303 62.300 0.050 0.000 1.043 519 V CB 1.099 32.950 31.823 0.047 0.000 1.068 519 V HN 0.004 nan 8.190 nan 0.000 0.439 520 Y N 2.892 123.191 120.300 -0.001 0.000 2.153 520 Y HA 0.399 4.948 4.550 -0.001 0.000 0.289 520 Y C 0.485 176.395 175.900 0.016 0.000 1.127 520 Y CA 1.277 59.383 58.100 0.011 0.000 1.131 520 Y CB 0.186 38.662 38.460 0.027 0.000 0.995 520 Y HN 0.548 nan 8.280 nan 0.000 0.505 521 L N 0.933 122.084 121.223 -0.119 0.000 2.409 521 L HA 0.330 4.670 4.340 -0.001 0.000 0.272 521 L C 0.087 176.923 176.870 -0.057 0.000 0.980 521 L CA -0.908 53.809 54.840 -0.204 0.000 0.826 521 L CB 1.885 43.803 42.059 -0.236 0.000 1.268 521 L HN 0.058 nan 8.230 nan 0.000 0.407 522 S N 0.562 116.227 115.700 -0.058 0.000 2.596 522 S HA 0.039 4.509 4.470 -0.001 0.000 0.260 522 S C 1.313 175.908 174.600 -0.009 0.000 1.336 522 S CA 0.169 58.357 58.200 -0.021 0.000 0.993 522 S CB 1.438 64.623 63.200 -0.025 0.000 0.923 522 S HN 0.664 nan 8.310 nan 0.000 0.567 523 S N 0.699 116.403 115.700 0.007 0.000 2.383 523 S HA -0.152 4.317 4.470 -0.001 0.000 0.229 523 S C 2.033 176.638 174.600 0.009 0.000 1.030 523 S CA 1.375 59.585 58.200 0.016 0.000 1.002 523 S CB -0.520 62.691 63.200 0.020 0.000 0.829 523 S HN 0.741 nan 8.310 nan 0.000 0.467 524 R N 0.380 120.879 120.500 -0.002 0.000 2.090 524 R HA 0.001 4.341 4.340 -0.001 0.000 0.228 524 R C 1.933 178.223 176.300 -0.018 0.000 1.110 524 R CA 1.440 57.535 56.100 -0.009 0.000 0.973 524 R CB -0.282 30.008 30.300 -0.015 0.000 0.869 524 R HN 0.436 nan 8.270 nan 0.000 0.440 525 D N 0.257 120.637 120.400 -0.033 0.000 2.117 525 D HA -0.166 4.473 4.640 -0.001 0.000 0.197 525 D C 1.871 178.149 176.300 -0.037 0.000 0.987 525 D CA 1.074 55.042 54.000 -0.053 0.000 0.829 525 D CB -0.094 40.649 40.800 -0.096 0.000 0.961 525 D HN 0.011 nan 8.370 nan 0.000 0.460 526 R N 1.228 121.718 120.500 -0.016 0.000 2.096 526 R HA -0.102 4.237 4.340 -0.001 0.000 0.235 526 R C 2.060 178.385 176.300 0.043 0.000 1.127 526 R CA 1.380 57.493 56.100 0.023 0.000 0.968 526 R CB -0.343 29.988 30.300 0.052 0.000 0.861 526 R HN 0.221 nan 8.270 nan 0.000 0.440 527 Q N -0.321 119.499 119.800 0.034 0.000 2.079 527 Q HA -0.088 4.252 4.340 -0.001 0.000 0.200 527 Q C 2.153 178.188 176.000 0.058 0.000 0.974 527 Q CA 1.824 57.654 55.803 0.046 0.000 0.840 527 Q CB -0.133 28.622 28.738 0.028 0.000 0.898 527 Q HN 0.397 nan 8.270 nan 0.000 0.430 528 I N 0.390 120.981 120.570 0.035 0.000 2.226 528 I HA -0.254 3.915 4.170 -0.001 0.000 0.245 528 I C 2.238 178.428 176.117 0.122 0.000 1.100 528 I CA 0.566 61.900 61.300 0.057 0.000 1.374 528 I CB -0.203 37.801 38.000 0.007 0.000 1.057 528 I HN 0.211 nan 8.210 nan 0.000 0.413 529 L N 0.777 122.021 121.223 0.036 0.000 2.083 529 L HA -0.227 4.112 4.340 -0.001 0.000 0.209 529 L C 1.916 178.644 176.870 -0.236 0.000 1.083 529 L CA 1.978 56.761 54.840 -0.094 0.000 0.752 529 L CB -0.764 41.212 42.059 -0.139 0.000 0.899 529 L HN 0.164 nan 8.230 nan 0.000 0.433 530 D N -1.478 118.912 120.400 -0.017 0.000 2.219 530 D HA -0.241 4.398 4.640 -0.001 0.000 0.205 530 D C 1.758 178.067 176.300 0.016 0.000 0.970 530 D CA 1.094 55.148 54.000 0.091 0.000 0.851 530 D CB -0.250 40.631 40.800 0.135 0.000 0.943 530 D HN 0.597 nan 8.370 nan 0.000 0.488 531 W N 1.268 122.489 121.300 -0.132 0.000 2.358 531 W HA -0.176 4.483 4.660 -0.001 0.000 0.303 531 W C 2.335 178.687 176.519 -0.279 0.000 1.208 531 W CA 1.394 58.645 57.345 -0.157 0.000 1.274 531 W CB -0.296 29.063 29.460 -0.169 0.000 1.138 531 W HN 0.090 nan 8.180 nan 0.000 0.515 532 H N -1.023 117.967 119.070 -0.134 0.000 2.421 532 H HA -0.133 4.422 4.556 -0.001 0.000 0.298 532 H C 2.000 176.896 175.328 -0.720 0.000 1.087 532 H CA 1.884 57.561 56.048 -0.618 0.000 1.330 532 H CB -0.715 28.451 29.762 -0.993 0.000 1.388 532 H HN 0.164 nan 8.280 nan 0.000 0.526 533 F N 0.778 120.570 119.950 -0.264 0.000 2.186 533 F HA -0.026 4.501 4.527 -0.001 0.000 0.299 533 F C 2.738 178.346 175.800 -0.321 0.000 1.090 533 F CA 0.658 58.560 58.000 -0.162 0.000 1.307 533 F CB -0.885 38.086 39.000 -0.049 0.000 1.019 533 F HN 0.095 nan 8.300 nan 0.000 0.489 534 A N 0.037 122.661 122.820 -0.326 0.000 1.933 534 A HA -0.241 4.078 4.320 -0.001 0.000 0.218 534 A C 2.103 179.163 177.584 -0.873 0.000 1.175 534 A CA 1.944 53.559 52.037 -0.703 0.000 0.628 534 A CB -1.044 17.331 19.000 -1.041 0.000 0.814 534 A HN 0.391 nan 8.150 nan 0.000 0.444 535 N N -0.076 118.162 118.700 -0.770 0.000 2.120 535 N HA -0.096 4.644 4.740 -0.001 0.000 0.188 535 N C 1.560 177.055 175.510 -0.025 0.000 1.024 535 N CA 1.413 54.303 53.050 -0.267 0.000 0.852 535 N CB -0.332 37.882 38.487 -0.456 0.000 1.003 535 N HN 0.457 nan 8.380 nan 0.000 0.424 536 L N 0.353 121.528 121.223 -0.081 0.000 2.141 536 L HA -0.069 4.270 4.340 -0.001 0.000 0.209 536 L C 1.706 178.545 176.870 -0.052 0.000 1.094 536 L CA 1.204 56.059 54.840 0.025 0.000 0.763 536 L CB -0.255 41.880 42.059 0.127 0.000 0.908 536 L HN 0.357 nan 8.230 nan 0.000 0.437 537 E N -0.697 119.430 120.200 -0.122 0.000 2.208 537 E HA -0.233 4.116 4.350 -0.001 0.000 0.193 537 E C 1.868 178.435 176.600 -0.054 0.000 0.988 537 E CA 1.009 57.320 56.400 -0.148 0.000 0.828 537 E CB -0.060 29.514 29.700 -0.212 0.000 0.763 537 E HN 0.448 nan 8.360 nan 0.000 0.478 538 F N 1.777 121.655 119.950 -0.120 0.000 2.113 538 F HA -0.018 4.508 4.527 -0.001 0.000 0.297 538 F C 2.150 178.044 175.800 0.157 0.000 1.103 538 F CA 1.330 59.361 58.000 0.053 0.000 1.248 538 F CB -0.711 38.447 39.000 0.263 0.000 0.999 538 F HN -0.093 nan 8.300 nan 0.000 0.475 539 A N 0.630 123.186 122.820 -0.441 0.000 1.972 539 A HA -0.190 4.130 4.320 -0.001 0.000 0.219 539 A C 1.922 179.506 177.584 0.000 0.000 1.169 539 A CA 1.865 53.657 52.037 -0.408 0.000 0.635 539 A CB -0.861 18.044 19.000 -0.158 0.000 0.810 539 A HN 0.621 nan 8.150 nan 0.000 0.446 540 N N -1.125 117.597 118.700 0.037 0.000 2.236 540 N HA 0.247 4.987 4.740 -0.001 0.000 0.196 540 N C 0.675 176.150 175.510 -0.058 0.000 1.114 540 N CA 0.796 53.911 53.050 0.107 0.000 0.859 540 N CB 0.362 38.884 38.487 0.057 0.000 0.982 540 N HN 0.564 nan 8.380 nan 0.000 0.493 541 A N 0.727 123.447 122.820 -0.166 0.000 2.822 541 A HA -0.172 4.147 4.320 -0.001 0.000 0.287 541 A C 0.364 177.732 177.584 -0.360 0.000 1.479 541 A CA 1.593 53.402 52.037 -0.380 0.000 0.779 541 A CB -2.044 16.305 19.000 -1.086 0.000 1.022 541 A HN 0.337 nan 8.150 nan 0.000 0.532 542 T N -1.959 112.388 114.554 -0.345 0.000 2.893 542 T HA 0.560 4.909 4.350 -0.001 0.000 0.337 542 T C -3.339 171.147 174.700 -0.357 0.000 1.587 542 T CA -0.633 61.199 62.100 -0.446 0.000 1.066 542 T CB 1.456 69.717 68.868 -1.012 0.000 1.414 542 T HN 0.019 nan 8.240 nan 0.000 0.488 543 P HA 0.185 nan 4.420 nan 0.000 0.268 543 P C 0.692 177.833 177.300 -0.265 0.000 1.205 543 P CA -0.373 62.589 63.100 -0.230 0.000 0.771 543 P CB 0.409 32.008 31.700 -0.167 0.000 0.858 544 L N 2.787 123.856 121.223 -0.257 0.000 2.187 544 L HA -0.189 4.150 4.340 -0.001 0.000 0.213 544 L C 2.112 178.835 176.870 -0.245 0.000 1.100 544 L CA 2.039 56.705 54.840 -0.292 0.000 0.765 544 L CB -1.683 40.170 42.059 -0.344 0.000 0.904 544 L HN 0.401 nan 8.230 nan 0.000 0.437 545 S N -2.559 113.024 115.700 -0.196 0.000 2.507 545 S HA -0.111 4.359 4.470 -0.001 0.000 0.235 545 S C 1.728 176.268 174.600 -0.099 0.000 0.988 545 S CA 1.047 59.163 58.200 -0.140 0.000 0.944 545 S CB -0.747 62.387 63.200 -0.109 0.000 0.762 545 S HN 0.601 nan 8.310 nan 0.000 0.526 546 T N -0.958 113.526 114.554 -0.117 0.000 3.022 546 T HA 0.399 4.748 4.350 -0.001 0.000 0.250 546 T C 0.489 175.215 174.700 0.043 0.000 1.060 546 T CA -0.456 61.628 62.100 -0.028 0.000 1.013 546 T CB -0.425 68.423 68.868 -0.034 0.000 0.982 546 T HN 0.293 nan 8.240 nan 0.000 0.508 547 L N 2.670 123.859 121.223 -0.058 0.000 2.397 547 L HA 0.344 4.683 4.340 -0.001 0.000 0.271 547 L C 0.804 177.736 176.870 0.103 0.000 1.148 547 L CA -0.627 54.245 54.840 0.054 0.000 0.825 547 L CB 0.968 42.981 42.059 -0.076 0.000 1.117 547 L HN 0.186 nan 8.230 nan 0.000 0.456 548 S N 2.297 118.136 115.700 0.232 0.000 2.498 548 S HA 0.022 4.491 4.470 -0.001 0.000 0.281 548 S C 0.902 175.633 174.600 0.217 0.000 1.265 548 S CA -0.704 57.618 58.200 0.203 0.000 1.071 548 S CB 0.491 63.862 63.200 0.286 0.000 0.894 548 S HN 0.526 nan 8.310 nan 0.000 0.491 549 L N 6.043 127.308 121.223 0.071 0.000 2.046 549 L HA 0.017 4.357 4.340 -0.001 0.000 0.208 549 L C 2.258 179.195 176.870 0.112 0.000 1.077 549 L CA 2.023 56.904 54.840 0.067 0.000 0.747 549 L CB -0.667 41.330 42.059 -0.103 0.000 0.896 549 L HN 0.818 nan 8.230 nan 0.000 0.432 550 K N -2.047 118.312 120.400 -0.068 0.000 2.116 550 K HA -0.101 4.219 4.320 -0.001 0.000 0.203 550 K C 1.261 177.733 176.600 -0.214 0.000 1.052 550 K CA 1.218 57.362 56.287 -0.237 0.000 0.952 550 K CB -0.013 32.184 32.500 -0.505 0.000 0.729 550 K HN 0.538 nan 8.250 nan 0.000 0.446 551 H N -1.131 118.056 119.070 0.194 0.000 2.893 551 H HA -0.001 4.555 4.556 -0.001 0.000 0.270 551 H C 1.304 176.707 175.328 0.125 0.000 1.095 551 H CA 0.033 56.159 56.048 0.130 0.000 1.186 551 H CB 0.001 29.840 29.762 0.128 0.000 1.562 551 H HN 0.434 nan 8.280 nan 0.000 0.536 552 W N 2.813 124.224 121.300 0.185 0.000 2.325 552 W HA -0.142 4.517 4.660 -0.001 0.000 0.299 552 W C -0.041 176.563 176.519 0.142 0.000 1.215 552 W CA 1.304 58.748 57.345 0.164 0.000 1.244 552 W CB -0.549 28.977 29.460 0.110 0.000 1.140 552 W HN 0.122 nan 8.180 nan 0.000 0.523 553 D N 0.635 120.493 120.400 -0.903 0.000 2.525 553 D HA -0.073 4.566 4.640 -0.001 0.000 0.229 553 D C 1.877 177.941 176.300 -0.392 0.000 1.202 553 D CA -0.076 53.399 54.000 -0.876 0.000 0.828 553 D CB -0.401 39.475 40.800 -1.540 0.000 1.008 553 D HN 0.128 nan 8.370 nan 0.000 0.493 554 Q N 1.914 121.608 119.800 -0.176 0.000 2.268 554 Q HA -0.217 4.122 4.340 -0.001 0.000 0.210 554 Q C 0.572 176.535 176.000 -0.062 0.000 0.988 554 Q CA 1.866 57.638 55.803 -0.052 0.000 0.883 554 Q CB -0.079 28.694 28.738 0.057 0.000 0.911 554 Q HN 0.566 nan 8.270 nan 0.000 0.430 555 D N -1.744 118.603 120.400 -0.087 0.000 2.369 555 D HA -0.043 4.596 4.640 -0.001 0.000 0.211 555 D C 0.864 177.147 176.300 -0.028 0.000 1.077 555 D CA 0.173 54.168 54.000 -0.008 0.000 0.842 555 D CB -0.244 40.484 40.800 -0.120 0.000 0.947 555 D HN 0.106 nan 8.370 nan 0.000 0.509 556 D N 1.459 121.779 120.400 -0.134 0.000 2.172 556 D HA -0.240 4.399 4.640 -0.001 0.000 0.196 556 D C 1.336 177.523 176.300 -0.189 0.000 0.999 556 D CA 1.300 55.208 54.000 -0.153 0.000 0.856 556 D CB -0.155 40.528 40.800 -0.196 0.000 0.934 556 D HN 0.130 nan 8.370 nan 0.000 0.453 557 D N -1.988 118.228 120.400 -0.307 0.000 2.384 557 D HA -0.116 4.523 4.640 -0.001 0.000 0.222 557 D C 0.696 176.553 176.300 -0.738 0.000 0.976 557 D CA 0.597 54.288 54.000 -0.514 0.000 0.915 557 D CB -0.055 40.349 40.800 -0.660 0.000 0.896 557 D HN 0.268 nan 8.370 nan 0.000 0.523 558 F N 0.503 120.344 119.950 -0.182 0.000 2.678 558 F HA 0.291 4.817 4.527 -0.001 0.000 0.305 558 F C 0.835 176.502 175.800 -0.222 0.000 1.090 558 F CA -0.435 57.440 58.000 -0.209 0.000 1.272 558 F CB -0.127 38.594 39.000 -0.465 0.000 1.060 558 F HN -0.237 nan 8.300 nan 0.000 0.576 559 E N 0.784 120.926 120.200 -0.097 0.000 2.492 559 E HA -0.024 4.325 4.350 -0.001 0.000 0.266 559 E C -0.578 175.986 176.600 -0.060 0.000 1.047 559 E CA 0.246 56.566 56.400 -0.132 0.000 0.968 559 E CB 0.466 30.167 29.700 0.001 0.000 0.960 559 E HN -0.020 nan 8.360 nan 0.000 0.452 560 F N 0.349 120.361 119.950 0.103 0.000 2.380 560 F HA 0.182 4.708 4.527 -0.001 0.000 0.321 560 F C 1.171 177.051 175.800 0.133 0.000 1.103 560 F CA -0.943 57.097 58.000 0.067 0.000 1.067 560 F CB 0.752 39.735 39.000 -0.030 0.000 1.265 560 F HN 0.260 nan 8.300 nan 0.000 0.517 561 T N -0.932 113.857 114.554 0.391 0.000 2.907 561 T HA 0.775 5.124 4.350 -0.001 0.000 0.284 561 T C -0.039 174.807 174.700 0.244 0.000 1.004 561 T CA -0.082 62.195 62.100 0.295 0.000 1.063 561 T CB 1.254 70.305 68.868 0.304 0.000 0.992 561 T HN 1.366 nan 8.240 nan 0.000 0.483 562 G N 1.230 110.149 108.800 0.198 0.000 2.440 562 G HA2 0.210 4.170 3.960 -0.001 0.000 0.684 562 G HA3 0.210 4.170 3.960 -0.001 0.000 0.684 562 G C -0.541 174.481 174.900 0.203 0.000 1.309 562 G CA -0.675 44.526 45.100 0.168 0.000 0.931 562 G HN 0.972 nan 8.290 nan 0.000 0.612 563 S N 0.277 116.078 115.700 0.167 0.000 2.576 563 S HA 0.393 4.862 4.470 -0.001 0.000 0.276 563 S C 0.440 175.217 174.600 0.296 0.000 1.339 563 S CA -0.282 58.028 58.200 0.184 0.000 1.039 563 S CB 0.400 63.677 63.200 0.127 0.000 0.902 563 S HN 0.558 nan 8.310 nan 0.000 0.516 564 H N 0.927 120.076 119.070 0.131 0.000 2.652 564 H HA 0.321 4.877 4.556 -0.001 0.000 0.349 564 H C -0.586 174.822 175.328 0.133 0.000 1.099 564 H CA -0.529 55.608 56.048 0.148 0.000 1.417 564 H CB 0.448 30.321 29.762 0.185 0.000 1.457 564 H HN 0.230 nan 8.280 nan 0.000 0.568 565 L N 1.368 122.713 121.223 0.204 0.000 2.279 565 L HA 0.432 4.772 4.340 -0.001 0.000 0.262 565 L C 0.423 177.356 176.870 0.103 0.000 1.019 565 L CA -0.641 54.279 54.840 0.133 0.000 0.823 565 L CB 1.863 43.962 42.059 0.067 0.000 1.358 565 L HN 0.498 nan 8.230 nan 0.000 0.432 566 T N -0.259 114.336 114.554 0.070 0.000 2.908 566 T HA 0.575 4.924 4.350 -0.001 0.000 0.290 566 T C -0.932 173.750 174.700 -0.029 0.000 1.034 566 T CA -0.417 61.702 62.100 0.031 0.000 1.010 566 T CB 1.831 70.742 68.868 0.072 0.000 1.068 566 T HN 0.259 nan 8.240 nan 0.000 0.481 567 V N 4.597 124.478 119.914 -0.055 0.000 2.284 567 V HA 0.233 4.352 4.120 -0.001 0.000 0.260 567 V C 1.531 177.688 176.094 0.105 0.000 1.084 567 V CA -0.375 61.896 62.300 -0.049 0.000 0.894 567 V CB 0.440 32.165 31.823 -0.163 0.000 1.119 567 V HN 0.713 nan 8.190 nan 0.000 0.484 568 R N 4.869 125.421 120.500 0.088 0.000 2.117 568 R HA -0.160 4.179 4.340 -0.001 0.000 0.243 568 R C 1.705 178.164 176.300 0.265 0.000 1.143 568 R CA 2.327 58.525 56.100 0.164 0.000 0.968 568 R CB -0.058 30.301 30.300 0.098 0.000 0.863 568 R HN 0.837 nan 8.270 nan 0.000 0.444 569 N N -0.545 118.249 118.700 0.158 0.000 2.276 569 N HA 0.125 4.864 4.740 -0.001 0.000 0.212 569 N C -0.443 175.132 175.510 0.109 0.000 1.127 569 N CA 0.687 53.811 53.050 0.123 0.000 0.834 569 N CB 0.484 39.014 38.487 0.071 0.000 1.014 569 N HN 0.299 nan 8.380 nan 0.000 0.491 570 G N 0.618 109.514 108.800 0.160 0.000 3.402 570 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.686 570 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.686 570 G C -0.190 174.823 174.900 0.189 0.000 0.983 570 G CA -0.360 44.830 45.100 0.150 0.000 0.821 570 G HN 0.353 nan 8.290 nan 0.000 0.500 571 Y N 1.607 121.963 120.300 0.094 0.000 2.483 571 Y HA -0.183 4.366 4.550 -0.001 0.000 0.291 571 Y C 2.919 178.855 175.900 0.060 0.000 1.143 571 Y CA 1.636 59.780 58.100 0.074 0.000 1.289 571 Y CB 0.227 38.729 38.460 0.070 0.000 0.983 571 Y HN 0.931 nan 8.280 nan 0.000 0.556 572 S N -0.803 115.038 115.700 0.235 0.000 2.469 572 S HA -0.241 4.228 4.470 -0.001 0.000 0.238 572 S C 1.984 176.655 174.600 0.118 0.000 0.998 572 S CA 0.879 59.160 58.200 0.136 0.000 0.957 572 S CB -1.639 61.618 63.200 0.095 0.000 0.764 572 S HN 0.679 nan 8.310 nan 0.000 0.514 573 C N 0.350 119.730 119.300 0.133 0.000 2.410 573 C HA 0.048 4.507 4.460 -0.001 0.000 0.281 573 C C 2.260 177.310 174.990 0.100 0.000 1.318 573 C CA 0.206 59.280 59.018 0.094 0.000 1.776 573 C CB -1.839 25.949 27.740 0.080 0.000 1.942 573 C HN 0.420 nan 8.230 nan 0.000 0.508 574 V N 2.972 122.980 119.914 0.157 0.000 2.255 574 V HA -0.060 4.059 4.120 -0.001 0.000 0.243 574 V C 0.608 176.748 176.094 0.076 0.000 1.038 574 V CA 2.546 64.931 62.300 0.141 0.000 1.008 574 V CB -1.696 30.270 31.823 0.238 0.000 0.645 574 V HN 0.347 nan 8.190 nan 0.000 0.449 575 P HA -0.083 nan 4.420 nan 0.000 0.218 575 P C 1.901 179.209 177.300 0.014 0.000 1.149 575 P CA 1.301 64.412 63.100 0.018 0.000 0.817 575 P CB -0.038 31.663 31.700 0.001 0.000 0.785 576 V N 1.089 121.017 119.914 0.023 0.000 2.295 576 V HA -0.231 3.889 4.120 -0.001 0.000 0.246 576 V C 2.857 178.953 176.094 0.003 0.000 1.049 576 V CA 2.410 64.716 62.300 0.011 0.000 1.024 576 V CB -1.666 30.167 31.823 0.017 0.000 0.648 576 V HN 0.114 nan 8.190 nan 0.000 0.447 577 A N -0.638 122.191 122.820 0.014 0.000 1.969 577 A HA -0.078 4.241 4.320 -0.001 0.000 0.218 577 A C 2.157 179.737 177.584 -0.008 0.000 1.169 577 A CA 1.369 53.408 52.037 0.003 0.000 0.635 577 A CB -0.471 18.538 19.000 0.015 0.000 0.810 577 A HN 0.510 nan 8.150 nan 0.000 0.445 578 L N -0.928 120.296 121.223 0.002 0.000 2.275 578 L HA -0.120 4.219 4.340 -0.001 0.000 0.215 578 L C 2.742 179.592 176.870 -0.033 0.000 1.119 578 L CA 0.757 55.592 54.840 -0.009 0.000 0.790 578 L CB -0.318 41.746 42.059 0.008 0.000 0.919 578 L HN 0.444 nan 8.230 nan 0.000 0.443 579 A N -0.924 121.877 122.820 -0.032 0.000 2.169 579 A HA -0.070 4.249 4.320 -0.001 0.000 0.212 579 A C 1.051 178.604 177.584 -0.051 0.000 1.153 579 A CA -0.080 51.930 52.037 -0.045 0.000 0.756 579 A CB -0.317 18.659 19.000 -0.039 0.000 0.813 579 A HN 0.332 nan 8.150 nan 0.000 0.471 580 E N -0.121 120.050 120.200 -0.049 0.000 2.585 580 E HA 0.231 4.581 4.350 -0.001 0.000 0.252 580 E C 1.253 177.814 176.600 -0.066 0.000 0.981 580 E CA 0.698 57.066 56.400 -0.053 0.000 0.943 580 E CB -0.105 29.563 29.700 -0.053 0.000 0.923 580 E HN 0.656 nan 8.360 nan 0.000 0.486 581 G N 3.716 112.481 108.800 -0.060 0.000 2.179 581 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.260 581 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.260 581 G C 0.244 175.103 174.900 -0.068 0.000 0.977 581 G CA 0.282 45.344 45.100 -0.063 0.000 0.641 581 G HN 0.477 nan 8.290 nan 0.000 0.533 582 L N 0.448 121.628 121.223 -0.072 0.000 2.399 582 L HA 0.483 4.822 4.340 -0.001 0.000 0.266 582 L C 0.265 177.088 176.870 -0.078 0.000 1.114 582 L CA -0.672 54.121 54.840 -0.080 0.000 0.804 582 L CB 1.022 43.030 42.059 -0.085 0.000 1.146 582 L HN 0.112 nan 8.230 nan 0.000 0.451 583 D N 2.682 123.031 120.400 -0.085 0.000 2.494 583 D HA 0.322 4.962 4.640 -0.001 0.000 0.217 583 D C -0.542 175.690 176.300 -0.112 0.000 1.153 583 D CA -0.059 53.889 54.000 -0.088 0.000 0.954 583 D CB 0.023 40.774 40.800 -0.081 0.000 1.034 583 D HN 0.190 nan 8.370 nan 0.000 0.518 584 I N 3.132 123.638 120.570 -0.107 0.000 2.354 584 I HA 0.254 4.423 4.170 -0.001 0.000 0.292 584 I C 0.405 176.441 176.117 -0.135 0.000 0.989 584 I CA -0.814 60.411 61.300 -0.125 0.000 1.188 584 I CB 1.443 39.380 38.000 -0.104 0.000 1.342 584 I HN -0.013 nan 8.210 nan 0.000 0.457 585 K N 7.326 127.619 120.400 -0.178 0.000 2.347 585 K HA 0.498 4.818 4.320 -0.001 0.000 0.262 585 K C -0.573 175.915 176.600 -0.187 0.000 1.052 585 K CA -0.436 55.736 56.287 -0.192 0.000 0.946 585 K CB 1.076 33.421 32.500 -0.258 0.000 1.220 585 K HN 0.477 nan 8.250 nan 0.000 0.450 586 L N 1.793 122.929 121.223 -0.146 0.000 2.479 586 L HA 0.117 4.456 4.340 -0.001 0.000 0.248 586 L C 0.565 177.352 176.870 -0.138 0.000 1.205 586 L CA -0.248 54.508 54.840 -0.139 0.000 0.817 586 L CB 0.056 42.055 42.059 -0.100 0.000 1.162 586 L HN 0.746 nan 8.230 nan 0.000 0.486 587 N N -1.442 117.172 118.700 -0.142 0.000 2.696 587 N HA -0.176 4.563 4.740 -0.001 0.000 0.249 587 N C -0.918 174.539 175.510 -0.089 0.000 1.090 587 N CA 0.743 53.729 53.050 -0.107 0.000 0.716 587 N CB -1.085 37.382 38.487 -0.034 0.000 1.020 587 N HN 0.556 nan 8.380 nan 0.000 0.548 588 T N 0.043 114.501 114.554 -0.159 0.000 2.912 588 T HA 0.609 4.958 4.350 -0.001 0.000 0.326 588 T C -0.063 174.548 174.700 -0.149 0.000 1.080 588 T CA -0.419 61.617 62.100 -0.107 0.000 1.000 588 T CB 1.277 70.029 68.868 -0.193 0.000 1.008 588 T HN 0.321 nan 8.240 nan 0.000 0.473 589 A N 3.571 126.342 122.820 -0.083 0.000 2.260 589 A HA 0.662 4.981 4.320 -0.001 0.000 0.308 589 A C 0.312 177.914 177.584 0.031 0.000 1.254 589 A CA -0.526 51.450 52.037 -0.101 0.000 0.874 589 A CB 0.340 19.337 19.000 -0.005 0.000 1.153 589 A HN 0.663 nan 8.150 nan 0.000 0.527 590 V N 3.630 123.547 119.914 0.004 0.000 2.555 590 V HA 0.167 4.286 4.120 -0.001 0.000 0.286 590 V C 1.194 177.307 176.094 0.031 0.000 1.044 590 V CA 0.417 62.731 62.300 0.023 0.000 1.026 590 V CB 1.013 32.824 31.823 -0.021 0.000 0.981 590 V HN 1.036 nan 8.190 nan 0.000 0.480 591 R N 1.741 122.254 120.500 0.022 0.000 2.369 591 R HA 0.270 4.609 4.340 -0.001 0.000 0.210 591 R C 0.414 176.675 176.300 -0.065 0.000 0.881 591 R CA 0.238 56.337 56.100 -0.001 0.000 1.031 591 R CB 0.481 30.798 30.300 0.028 0.000 1.184 591 R HN 0.796 nan 8.270 nan 0.000 0.581 592 Q N -0.084 119.677 119.800 -0.065 0.000 2.379 592 Q HA 0.531 4.870 4.340 -0.001 0.000 0.278 592 Q C -1.696 174.251 176.000 -0.089 0.000 1.068 592 Q CA -0.772 54.972 55.803 -0.098 0.000 0.816 592 Q CB 2.505 31.222 28.738 -0.036 0.000 1.387 592 Q HN -0.076 nan 8.270 nan 0.000 0.413 593 V N 3.863 123.705 119.914 -0.121 0.000 2.447 593 V HA 0.513 4.632 4.120 -0.001 0.000 0.292 593 V C -0.903 175.313 176.094 0.204 0.000 1.021 593 V CA -0.622 61.686 62.300 0.014 0.000 0.850 593 V CB 1.621 33.417 31.823 -0.044 0.000 1.005 593 V HN 0.723 nan 8.190 nan 0.000 0.426 594 R N 4.547 125.162 120.500 0.193 0.000 2.393 594 R HA 0.717 5.056 4.340 -0.001 0.000 0.310 594 R C -1.468 175.000 176.300 0.280 0.000 0.968 594 R CA -0.684 55.524 56.100 0.180 0.000 0.867 594 R CB 1.794 32.137 30.300 0.071 0.000 1.124 594 R HN 0.760 nan 8.270 nan 0.000 0.450 595 Y N -1.300 119.047 120.300 0.079 0.000 2.396 595 Y HA 0.547 5.096 4.550 -0.001 0.000 0.332 595 Y C -0.540 175.398 175.900 0.062 0.000 1.034 595 Y CA -1.248 56.897 58.100 0.074 0.000 1.057 595 Y CB 1.305 39.812 38.460 0.078 0.000 1.220 595 Y HN 0.643 nan 8.280 nan 0.000 0.440 596 T N -1.180 113.431 114.554 0.095 0.000 2.910 596 T HA 0.713 5.063 4.350 -0.001 0.000 0.287 596 T C 0.896 175.649 174.700 0.089 0.000 1.050 596 T CA -0.552 61.566 62.100 0.030 0.000 1.011 596 T CB 1.581 70.456 68.868 0.013 0.000 1.195 596 T HN 1.047 nan 8.240 nan 0.000 0.540 597 A N 0.511 123.366 122.820 0.059 0.000 2.259 597 A HA 0.217 4.537 4.320 -0.001 0.000 0.212 597 A C 1.568 179.196 177.584 0.074 0.000 1.178 597 A CA 1.037 53.115 52.037 0.068 0.000 0.734 597 A CB -1.033 17.992 19.000 0.042 0.000 0.774 597 A HN 1.374 nan 8.150 nan 0.000 0.481 598 S N -2.598 113.148 115.700 0.078 0.000 3.025 598 S HA 0.550 5.020 4.470 -0.001 0.000 0.251 598 S C 0.230 174.887 174.600 0.096 0.000 0.954 598 S CA 0.256 58.504 58.200 0.080 0.000 1.092 598 S CB -0.260 62.973 63.200 0.055 0.000 1.079 598 S HN 1.855 nan 8.310 nan 0.000 0.543 599 G N -0.107 108.768 108.800 0.125 0.000 2.351 599 G HA2 0.330 4.289 3.960 -0.001 0.000 0.353 599 G HA3 0.330 4.289 3.960 -0.001 0.000 0.353 599 G C -1.155 173.826 174.900 0.134 0.000 1.358 599 G CA -0.309 44.866 45.100 0.126 0.000 0.995 599 G HN 0.660 nan 8.290 nan 0.000 0.611 600 C N -0.355 119.018 119.300 0.123 0.000 2.898 600 C HA 0.884 5.344 4.460 -0.001 0.000 0.304 600 C C -0.285 174.769 174.990 0.107 0.000 1.237 600 C CA -0.678 58.421 59.018 0.135 0.000 1.529 600 C CB 1.913 29.737 27.740 0.141 0.000 2.021 600 C HN 0.800 nan 8.230 nan 0.000 0.474 601 E N 0.794 121.062 120.200 0.112 0.000 2.263 601 E HA 0.547 4.896 4.350 -0.001 0.000 0.268 601 E C -1.618 175.045 176.600 0.106 0.000 0.884 601 E CA -0.361 56.099 56.400 0.099 0.000 0.766 601 E CB 2.286 32.030 29.700 0.073 0.000 1.196 601 E HN 0.396 nan 8.360 nan 0.000 0.416 602 V N 4.425 124.415 119.914 0.127 0.000 2.378 602 V HA 0.354 4.473 4.120 -0.001 0.000 0.288 602 V C -0.533 175.662 176.094 0.168 0.000 1.016 602 V CA -0.709 61.663 62.300 0.120 0.000 0.840 602 V CB 1.052 32.932 31.823 0.095 0.000 0.994 602 V HN 0.536 nan 8.190 nan 0.000 0.431 603 I N 4.605 125.241 120.570 0.110 0.000 2.359 603 I HA 0.774 4.943 4.170 -0.001 0.000 0.294 603 I C 0.466 176.666 176.117 0.138 0.000 0.987 603 I CA 0.226 61.596 61.300 0.117 0.000 1.225 603 I CB 1.557 39.589 38.000 0.054 0.000 1.366 603 I HN 0.730 nan 8.210 nan 0.000 0.466 604 A N 5.382 128.340 122.820 0.229 0.000 2.527 604 A HA 0.958 5.277 4.320 -0.001 0.000 0.293 604 A C -0.940 176.822 177.584 0.297 0.000 1.117 604 A CA -0.617 51.570 52.037 0.249 0.000 0.723 604 A CB 1.952 21.126 19.000 0.290 0.000 1.313 604 A HN 0.784 nan 8.150 nan 0.000 0.411 605 V N -0.445 119.619 119.914 0.251 0.000 2.914 605 V HA 0.644 4.763 4.120 -0.001 0.000 0.314 605 V C -0.385 175.883 176.094 0.291 0.000 1.084 605 V CA -1.085 61.326 62.300 0.185 0.000 0.963 605 V CB 1.939 33.812 31.823 0.083 0.000 1.025 605 V HN 0.888 nan 8.190 nan 0.000 0.432 606 N N 2.325 121.196 118.700 0.285 0.000 2.475 606 N HA 0.122 4.861 4.740 -0.001 0.000 0.267 606 N C 1.177 176.780 175.510 0.156 0.000 1.169 606 N CA 0.724 53.958 53.050 0.306 0.000 0.947 606 N CB 1.830 40.471 38.487 0.256 0.000 1.061 606 N HN 1.092 nan 8.380 nan 0.000 0.466 607 T N 1.093 115.723 114.554 0.126 0.000 3.148 607 T HA 0.140 4.489 4.350 -0.001 0.000 0.253 607 T C 1.256 176.019 174.700 0.105 0.000 1.134 607 T CA 0.439 62.615 62.100 0.127 0.000 1.051 607 T CB 0.173 69.118 68.868 0.128 0.000 0.959 607 T HN 0.356 nan 8.240 nan 0.000 0.525 608 R N 0.652 121.205 120.500 0.088 0.000 2.265 608 R HA 0.335 4.674 4.340 -0.001 0.000 0.194 608 R C 0.117 176.451 176.300 0.056 0.000 0.931 608 R CA 0.139 56.280 56.100 0.068 0.000 1.032 608 R CB 0.464 30.800 30.300 0.060 0.000 0.980 608 R HN 0.301 nan 8.270 nan 0.000 0.497 609 S N 0.081 115.816 115.700 0.058 0.000 2.592 609 S HA 0.022 4.491 4.470 -0.001 0.000 0.151 609 S C 0.523 175.135 174.600 0.019 0.000 1.280 609 S CA -0.359 57.860 58.200 0.032 0.000 1.187 609 S CB 1.230 64.442 63.200 0.020 0.000 1.471 609 S HN 0.284 nan 8.310 nan 0.000 0.409 610 T N -0.687 113.885 114.554 0.029 0.000 3.093 610 T HA -0.152 4.197 4.350 -0.001 0.000 0.270 610 T C 1.936 176.626 174.700 -0.017 0.000 1.170 610 T CA 1.448 63.561 62.100 0.022 0.000 1.072 610 T CB -0.498 68.391 68.868 0.035 0.000 0.863 610 T HN 0.564 nan 8.240 nan 0.000 0.562 611 S N 1.736 117.417 115.700 -0.031 0.000 2.345 611 S HA -0.105 4.364 4.470 -0.001 0.000 0.219 611 S C 1.153 175.691 174.600 -0.103 0.000 1.031 611 S CA -0.056 58.112 58.200 -0.053 0.000 0.984 611 S CB -0.681 62.493 63.200 -0.043 0.000 0.874 611 S HN 0.883 nan 8.310 nan 0.000 0.451 612 Q N 2.273 121.986 119.800 -0.146 0.000 2.304 612 Q HA 0.491 4.831 4.340 -0.001 0.000 0.260 612 Q C -0.104 175.625 176.000 -0.451 0.000 0.965 612 Q CA -0.354 55.278 55.803 -0.286 0.000 0.898 612 Q CB 0.584 29.136 28.738 -0.311 0.000 1.196 612 Q HN 0.449 nan 8.270 nan 0.000 0.402 613 T N -0.431 113.821 114.554 -0.504 0.000 2.938 613 T HA 0.761 5.110 4.350 -0.001 0.000 0.285 613 T C -0.688 173.526 174.700 -0.809 0.000 1.028 613 T CA -0.694 61.115 62.100 -0.486 0.000 1.005 613 T CB 0.824 69.573 68.868 -0.197 0.000 1.157 613 T HN 0.483 nan 8.240 nan 0.000 0.550 614 F N -0.336 119.583 119.950 -0.052 0.000 2.588 614 F HA 0.664 5.190 4.527 -0.001 0.000 0.310 614 F C -0.701 174.992 175.800 -0.179 0.000 1.082 614 F CA -1.458 56.438 58.000 -0.173 0.000 0.929 614 F CB 2.104 41.010 39.000 -0.157 0.000 1.254 614 F HN 0.371 nan 8.300 nan 0.000 0.455 615 I N 3.063 123.551 120.570 -0.137 0.000 2.476 615 I HA 0.253 4.422 4.170 -0.001 0.000 0.281 615 I C -1.362 174.649 176.117 -0.176 0.000 1.040 615 I CA -1.133 60.121 61.300 -0.077 0.000 1.094 615 I CB 0.826 38.796 38.000 -0.050 0.000 1.219 615 I HN 0.513 nan 8.210 nan 0.000 0.450 616 Y N 4.891 125.223 120.300 0.054 0.000 2.331 616 Y HA 0.414 4.964 4.550 -0.000 0.000 0.338 616 Y C 0.648 176.559 175.900 0.019 0.000 0.976 616 Y CA -0.529 57.587 58.100 0.026 0.000 1.137 616 Y CB 1.524 39.985 38.460 0.001 0.000 1.172 616 Y HN 0.334 nan 8.280 nan 0.000 0.478 617 K N 3.621 124.106 120.400 0.142 0.000 2.118 617 K HA 0.763 5.082 4.320 -0.001 0.000 0.267 617 K C -0.694 175.956 176.600 0.084 0.000 0.991 617 K CA -0.554 55.789 56.287 0.094 0.000 0.916 617 K CB 1.096 33.633 32.500 0.060 0.000 1.041 617 K HN 0.852 nan 8.250 nan 0.000 0.455 618 C N -1.710 117.627 119.300 0.062 0.000 3.259 618 C HA 0.316 4.776 4.460 -0.001 0.000 0.344 618 C C 0.303 175.309 174.990 0.027 0.000 1.401 618 C CA -0.880 58.153 59.018 0.024 0.000 1.219 618 C CB 0.797 28.535 27.740 -0.005 0.000 1.521 618 C HN 0.868 nan 8.230 nan 0.000 0.455 619 D N 0.837 121.221 120.400 -0.027 0.000 2.271 619 D HA 0.349 4.989 4.640 -0.001 0.000 0.206 619 D C 0.681 176.964 176.300 -0.028 0.000 0.967 619 D CA 1.528 55.536 54.000 0.014 0.000 0.867 619 D CB 0.697 41.486 40.800 -0.018 0.000 0.960 619 D HN 1.027 nan 8.370 nan 0.000 0.509 620 A N 0.431 123.152 122.820 -0.165 0.000 2.574 620 A HA 0.533 4.852 4.320 -0.001 0.000 0.297 620 A C -1.259 176.301 177.584 -0.041 0.000 1.062 620 A CA -0.562 51.433 52.037 -0.070 0.000 0.686 620 A CB 1.937 20.738 19.000 -0.331 0.000 1.285 620 A HN -0.089 nan 8.150 nan 0.000 0.403 621 V N 1.796 121.745 119.914 0.059 0.000 2.495 621 V HA 0.562 4.681 4.120 -0.001 0.000 0.298 621 V C -0.927 175.165 176.094 -0.003 0.000 1.031 621 V CA -0.493 61.803 62.300 -0.007 0.000 0.871 621 V CB 1.468 33.282 31.823 -0.014 0.000 0.988 621 V HN 0.850 nan 8.190 nan 0.000 0.432 622 L N 6.087 127.273 121.223 -0.063 0.000 2.294 622 L HA 0.585 4.925 4.340 -0.001 0.000 0.283 622 L C -0.311 176.495 176.870 -0.107 0.000 1.015 622 L CA -0.063 54.732 54.840 -0.076 0.000 0.831 622 L CB 0.855 42.864 42.059 -0.084 0.000 1.217 622 L HN 0.838 nan 8.230 nan 0.000 0.420 623 C N 4.285 123.464 119.300 -0.201 0.000 2.303 623 C HA 0.583 5.042 4.460 -0.001 0.000 0.341 623 C C 1.434 176.466 174.990 0.070 0.000 1.244 623 C CA 0.238 59.209 59.018 -0.079 0.000 1.765 623 C CB -0.500 27.160 27.740 -0.133 0.000 2.379 623 C HN 0.961 nan 8.230 nan 0.000 0.530 624 T N 4.399 119.012 114.554 0.097 0.000 3.248 624 T HA 0.276 4.626 4.350 -0.001 0.000 0.271 624 T C 0.204 175.021 174.700 0.195 0.000 1.005 624 T CA -0.349 61.844 62.100 0.154 0.000 0.902 624 T CB -0.495 68.422 68.868 0.081 0.000 1.102 624 T HN 0.665 nan 8.240 nan 0.000 0.548 625 L N 2.090 123.436 121.223 0.204 0.000 2.540 625 L HA 0.256 4.596 4.340 -0.001 0.000 0.276 625 L C -2.097 174.812 176.870 0.065 0.000 1.212 625 L CA -1.722 53.208 54.840 0.150 0.000 0.893 625 L CB -0.043 42.123 42.059 0.178 0.000 1.138 625 L HN 0.086 nan 8.230 nan 0.000 0.491 626 P HA -0.045 nan 4.420 nan 0.000 0.269 626 P C 0.477 177.398 177.300 -0.632 0.000 1.215 626 P CA -0.463 62.501 63.100 -0.227 0.000 0.780 626 P CB 0.637 32.298 31.700 -0.066 0.000 0.898 627 L N 3.143 123.706 121.223 -1.100 0.000 2.127 627 L HA -0.100 4.239 4.340 -0.001 0.000 0.211 627 L C 2.072 178.343 176.870 -0.998 0.000 1.089 627 L CA 2.465 56.668 54.840 -1.061 0.000 0.757 627 L CB -1.603 39.973 42.059 -0.805 0.000 0.899 627 L HN 0.517 nan 8.230 nan 0.000 0.434 628 G N -1.431 106.401 108.800 -1.614 0.000 2.432 628 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.219 628 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.219 628 G C 1.488 176.182 174.900 -0.343 0.000 1.135 628 G CA 0.944 45.525 45.100 -0.865 0.000 0.767 628 G HN 0.350 nan 8.290 nan 0.000 0.550 629 V N 0.722 120.467 119.914 -0.282 0.000 2.488 629 V HA 0.003 4.122 4.120 -0.001 0.000 0.246 629 V C 2.784 178.833 176.094 -0.076 0.000 1.046 629 V CA 0.986 63.227 62.300 -0.099 0.000 1.053 629 V CB -0.216 31.607 31.823 -0.001 0.000 0.679 629 V HN 0.334 nan 8.190 nan 0.000 0.458 630 L N -0.494 120.653 121.223 -0.127 0.000 2.275 630 L HA -0.117 4.222 4.340 -0.001 0.000 0.215 630 L C 2.288 179.111 176.870 -0.078 0.000 1.119 630 L CA 1.374 56.183 54.840 -0.052 0.000 0.790 630 L CB -0.444 41.558 42.059 -0.095 0.000 0.919 630 L HN 0.294 nan 8.230 nan 0.000 0.443 631 K N -0.509 119.809 120.400 -0.136 0.000 2.361 631 K HA -0.009 4.310 4.320 -0.001 0.000 0.196 631 K C 0.797 177.361 176.600 -0.059 0.000 1.039 631 K CA -0.135 56.091 56.287 -0.103 0.000 1.001 631 K CB 0.168 32.596 32.500 -0.121 0.000 0.795 631 K HN 0.198 nan 8.250 nan 0.000 0.495 632 Q N 1.708 121.476 119.800 -0.054 0.000 2.304 632 Q HA -0.114 4.225 4.340 -0.001 0.000 0.315 632 Q C -0.769 175.219 176.000 -0.019 0.000 1.075 632 Q CA 0.791 56.574 55.803 -0.033 0.000 0.988 632 Q CB 0.474 29.193 28.738 -0.032 0.000 1.146 632 Q HN 0.009 nan 8.270 nan 0.000 0.383 633 Q N 4.312 124.101 119.800 -0.018 0.000 2.275 633 Q HA 0.398 4.738 4.340 -0.001 0.000 0.266 633 Q C -2.281 173.711 176.000 -0.014 0.000 1.002 633 Q CA -1.723 54.072 55.803 -0.013 0.000 0.761 633 Q CB 1.603 30.334 28.738 -0.013 0.000 1.255 633 Q HN 0.638 nan 8.270 nan 0.000 0.446 634 P HA 0.212 nan 4.420 nan 0.000 0.272 634 P C -2.445 174.850 177.300 -0.007 0.000 1.223 634 P CA -0.928 62.167 63.100 -0.008 0.000 0.784 634 P CB -0.086 31.609 31.700 -0.009 0.000 0.923 635 P HA -0.063 nan 4.420 nan 0.000 0.264 635 P C -0.019 177.281 177.300 0.000 0.000 1.183 635 P CA 0.214 63.320 63.100 0.011 0.000 0.763 635 P CB 0.793 32.512 31.700 0.032 0.000 0.807 636 A N 4.114 126.936 122.820 0.003 0.000 1.898 636 A HA 0.060 4.379 4.320 -0.001 0.000 0.214 636 A C 1.096 178.680 177.584 0.001 0.000 1.183 636 A CA 1.556 53.599 52.037 0.010 0.000 0.622 636 A CB -0.497 18.521 19.000 0.031 0.000 0.824 636 A HN 0.551 nan 8.150 nan 0.000 0.444 637 V N -1.238 118.651 119.914 -0.042 0.000 2.656 637 V HA 0.580 4.699 4.120 -0.001 0.000 0.307 637 V C -0.843 175.098 176.094 -0.254 0.000 1.051 637 V CA -0.857 61.351 62.300 -0.153 0.000 0.893 637 V CB 1.595 33.284 31.823 -0.224 0.000 0.999 637 V HN 0.469 nan 8.190 nan 0.000 0.426 638 Q N 3.476 123.128 119.800 -0.246 0.000 2.241 638 Q HA 0.541 4.881 4.340 -0.001 0.000 0.254 638 Q C -1.839 173.982 176.000 -0.298 0.000 0.917 638 Q CA -0.626 55.074 55.803 -0.172 0.000 0.919 638 Q CB 1.546 30.250 28.738 -0.057 0.000 1.237 638 Q HN 0.794 nan 8.270 nan 0.000 0.434 639 F N 2.399 122.405 119.950 0.094 0.000 2.436 639 F HA 0.425 4.951 4.527 -0.001 0.000 0.340 639 F C -0.437 175.451 175.800 0.147 0.000 1.113 639 F CA -0.672 57.434 58.000 0.176 0.000 1.022 639 F CB 1.796 40.916 39.000 0.200 0.000 1.128 639 F HN 0.201 nan 8.300 nan 0.000 0.466 640 V N 5.153 125.235 119.914 0.281 0.000 2.409 640 V HA 0.359 4.478 4.120 -0.001 0.000 0.290 640 V C -2.316 173.590 176.094 -0.313 0.000 1.017 640 V CA -2.081 60.236 62.300 0.029 0.000 0.841 640 V CB 1.503 33.325 31.823 -0.001 0.000 1.003 640 V HN 0.501 nan 8.190 nan 0.000 0.426 641 P HA 0.257 nan 4.420 nan 0.000 0.271 641 P C -2.681 174.671 177.300 0.087 0.000 1.244 641 P CA -1.241 61.756 63.100 -0.171 0.000 0.793 641 P CB -0.084 31.494 31.700 -0.204 0.000 0.984 642 P HA 0.111 nan 4.420 nan 0.000 0.272 642 P C -0.320 177.040 177.300 0.101 0.000 1.223 642 P CA 0.023 63.207 63.100 0.141 0.000 0.784 642 P CB 0.284 32.022 31.700 0.062 0.000 0.923 643 L N 3.552 124.783 121.223 0.013 0.000 2.483 643 L HA 0.118 4.457 4.340 -0.001 0.000 0.276 643 L C -1.702 175.011 176.870 -0.261 0.000 1.213 643 L CA -1.475 53.243 54.840 -0.205 0.000 0.843 643 L CB -0.651 41.151 42.059 -0.428 0.000 1.107 643 L HN 0.293 nan 8.230 nan 0.000 0.487 644 P HA -0.060 nan 4.420 nan 0.000 0.270 644 P C 0.432 177.434 177.300 -0.497 0.000 1.227 644 P CA -0.268 62.541 63.100 -0.485 0.000 0.788 644 P CB 0.498 31.674 31.700 -0.873 0.000 0.926 645 E N 1.448 121.481 120.200 -0.278 0.000 2.150 645 E HA -0.133 4.217 4.350 -0.001 0.000 0.193 645 E C 1.542 178.064 176.600 -0.130 0.000 0.985 645 E CA 1.370 57.678 56.400 -0.152 0.000 0.814 645 E CB -0.312 29.370 29.700 -0.030 0.000 0.752 645 E HN 0.645 nan 8.360 nan 0.000 0.466 646 W N 1.087 122.348 121.300 -0.066 0.000 2.465 646 W HA -0.042 4.617 4.660 -0.001 0.000 0.268 646 W C 1.595 178.045 176.519 -0.115 0.000 1.242 646 W CA 0.816 58.113 57.345 -0.080 0.000 1.248 646 W CB -0.487 28.930 29.460 -0.070 0.000 1.118 646 W HN -0.018 nan 8.180 nan 0.000 0.587 647 K N 2.075 122.056 120.400 -0.698 0.000 2.099 647 K HA -0.083 4.237 4.320 -0.001 0.000 0.203 647 K C 2.405 178.767 176.600 -0.397 0.000 1.047 647 K CA 2.784 58.662 56.287 -0.682 0.000 0.963 647 K CB -0.871 30.944 32.500 -1.142 0.000 0.759 647 K HN 0.042 nan 8.250 nan 0.000 0.451 648 T N -1.412 112.930 114.554 -0.353 0.000 2.915 648 T HA -0.121 4.228 4.350 -0.001 0.000 0.269 648 T C 1.974 176.583 174.700 -0.151 0.000 1.071 648 T CA 1.417 63.381 62.100 -0.226 0.000 1.132 648 T CB -0.615 68.147 68.868 -0.176 0.000 0.878 648 T HN 0.263 nan 8.240 nan 0.000 0.479 649 S N 2.286 117.915 115.700 -0.119 0.000 2.383 649 S HA 0.171 4.641 4.470 -0.001 0.000 0.227 649 S C 2.481 177.037 174.600 -0.073 0.000 1.026 649 S CA 0.652 58.812 58.200 -0.068 0.000 0.981 649 S CB -0.922 62.264 63.200 -0.023 0.000 0.818 649 S HN 0.715 nan 8.310 nan 0.000 0.472 650 A N 1.646 124.417 122.820 -0.080 0.000 1.873 650 A HA 0.086 4.405 4.320 -0.001 0.000 0.215 650 A C 2.415 179.915 177.584 -0.142 0.000 1.186 650 A CA 1.563 53.542 52.037 -0.095 0.000 0.616 650 A CB -1.194 17.761 19.000 -0.074 0.000 0.823 650 A HN 0.429 nan 8.150 nan 0.000 0.442 651 V N 0.089 119.906 119.914 -0.162 0.000 2.392 651 V HA -0.324 3.795 4.120 -0.001 0.000 0.249 651 V C 2.611 178.620 176.094 -0.141 0.000 1.059 651 V CA 2.346 64.545 62.300 -0.169 0.000 1.051 651 V CB -0.822 30.890 31.823 -0.184 0.000 0.658 651 V HN 0.666 nan 8.190 nan 0.000 0.455 652 Q N -0.940 118.792 119.800 -0.114 0.000 2.187 652 Q HA -0.080 4.259 4.340 -0.001 0.000 0.199 652 Q C 2.494 178.445 176.000 -0.081 0.000 0.957 652 Q CA 0.972 56.723 55.803 -0.086 0.000 0.857 652 Q CB -0.110 28.588 28.738 -0.066 0.000 0.929 652 Q HN 0.560 nan 8.270 nan 0.000 0.453 653 R N 0.174 120.621 120.500 -0.088 0.000 2.062 653 R HA 0.040 4.379 4.340 -0.001 0.000 0.229 653 R C 0.772 177.000 176.300 -0.119 0.000 1.128 653 R CA 0.496 56.547 56.100 -0.080 0.000 0.960 653 R CB -0.138 30.120 30.300 -0.070 0.000 0.855 653 R HN 0.242 nan 8.270 nan 0.000 0.432 654 M N 0.622 120.118 119.600 -0.173 0.000 2.250 654 M HA 0.004 4.483 4.480 -0.001 0.000 0.337 654 M C 0.755 176.874 176.300 -0.302 0.000 1.161 654 M CA 0.257 55.406 55.300 -0.252 0.000 1.088 654 M CB 0.500 32.918 32.600 -0.303 0.000 1.639 654 M HN 0.121 nan 8.290 nan 0.000 0.447 655 G N 1.699 110.161 108.800 -0.564 0.000 2.425 655 G HA2 0.586 4.545 3.960 -0.001 0.000 0.302 655 G HA3 0.586 4.545 3.960 -0.001 0.000 0.302 655 G C -1.767 172.741 174.900 -0.654 0.000 1.159 655 G CA -0.336 44.117 45.100 -1.077 0.000 0.865 655 G HN 0.570 nan 8.290 nan 0.000 0.515 656 F N 1.564 121.275 119.950 -0.397 0.000 2.553 656 F HA 0.593 5.119 4.527 -0.001 0.000 0.335 656 F C 0.597 176.497 175.800 0.168 0.000 1.148 656 F CA -0.854 57.105 58.000 -0.069 0.000 0.963 656 F CB 1.418 40.379 39.000 -0.065 0.000 1.217 656 F HN 0.703 nan 8.300 nan 0.000 0.441 657 G N 3.507 112.204 108.800 -0.172 0.000 2.508 657 G HA2 0.295 4.255 3.960 -0.001 0.000 0.278 657 G HA3 0.295 4.255 3.960 -0.001 0.000 0.278 657 G C -1.262 173.417 174.900 -0.369 0.000 1.389 657 G CA -0.679 44.310 45.100 -0.184 0.000 1.050 657 G HN 0.696 nan 8.290 nan 0.000 0.522 658 N N -2.133 116.389 118.700 -0.296 0.000 2.405 658 N HA 0.502 5.241 4.740 -0.001 0.000 0.274 658 N C -2.277 173.142 175.510 -0.153 0.000 1.170 658 N CA -0.643 52.297 53.050 -0.182 0.000 0.848 658 N CB 2.357 40.818 38.487 -0.043 0.000 1.629 658 N HN 0.441 nan 8.380 nan 0.000 0.481 659 L N 2.174 123.369 121.223 -0.046 0.000 2.643 659 L HA 0.556 4.896 4.340 -0.001 0.000 0.257 659 L C -2.055 174.916 176.870 0.167 0.000 0.922 659 L CA -0.494 54.375 54.840 0.049 0.000 0.909 659 L CB 1.942 44.040 42.059 0.066 0.000 1.424 659 L HN 0.613 nan 8.230 nan 0.000 0.422 660 N N 2.983 121.779 118.700 0.160 0.000 2.405 660 N HA 0.647 5.386 4.740 -0.001 0.000 0.285 660 N C -1.523 174.048 175.510 0.101 0.000 1.262 660 N CA -0.762 52.405 53.050 0.196 0.000 0.773 660 N CB 2.646 41.211 38.487 0.130 0.000 1.490 660 N HN 0.555 nan 8.380 nan 0.000 0.486 661 K N 0.159 120.611 120.400 0.086 0.000 2.435 661 K HA 0.660 4.979 4.320 -0.001 0.000 0.251 661 K C -1.204 175.372 176.600 -0.040 0.000 0.954 661 K CA -0.834 55.450 56.287 -0.004 0.000 0.820 661 K CB 2.534 35.034 32.500 0.000 0.000 1.292 661 K HN 0.116 nan 8.250 nan 0.000 0.436 662 V N 2.057 121.923 119.914 -0.081 0.000 2.444 662 V HA 0.245 4.365 4.120 -0.001 0.000 0.294 662 V C -0.610 175.427 176.094 -0.096 0.000 1.022 662 V CA -0.971 61.275 62.300 -0.091 0.000 0.850 662 V CB 1.671 33.448 31.823 -0.077 0.000 0.992 662 V HN 0.472 nan 8.190 nan 0.000 0.426 663 V N 6.841 126.674 119.914 -0.135 0.000 2.385 663 V HA 0.406 4.525 4.120 -0.001 0.000 0.269 663 V C -0.082 175.891 176.094 -0.202 0.000 1.043 663 V CA -0.289 61.922 62.300 -0.147 0.000 0.906 663 V CB 1.202 32.892 31.823 -0.221 0.000 0.995 663 V HN 0.633 nan 8.190 nan 0.000 0.467 664 L N 5.126 126.248 121.223 -0.168 0.000 2.294 664 L HA 0.467 4.806 4.340 -0.001 0.000 0.283 664 L C -0.524 176.066 176.870 -0.466 0.000 1.015 664 L CA -0.200 54.432 54.840 -0.346 0.000 0.831 664 L CB 1.322 43.253 42.059 -0.213 0.000 1.217 664 L HN 0.577 nan 8.230 nan 0.000 0.420 665 C N 3.638 122.598 119.300 -0.568 0.000 2.255 665 C HA 0.608 5.067 4.460 -0.001 0.000 0.326 665 C C 0.178 174.882 174.990 -0.475 0.000 1.258 665 C CA -0.650 58.058 59.018 -0.517 0.000 1.676 665 C CB -0.578 26.653 27.740 -0.848 0.000 2.314 665 C HN 0.480 nan 8.230 nan 0.000 0.509 666 F N 1.858 121.914 119.950 0.175 0.000 2.585 666 F HA 0.417 4.943 4.527 -0.001 0.000 0.350 666 F C 1.323 177.309 175.800 0.309 0.000 1.074 666 F CA -0.732 57.427 58.000 0.265 0.000 1.032 666 F CB 0.907 40.153 39.000 0.411 0.000 1.330 666 F HN 0.540 nan 8.300 nan 0.000 0.495 667 D N -1.075 119.606 120.400 0.470 0.000 2.398 667 D HA 0.140 4.779 4.640 -0.001 0.000 0.210 667 D C 0.016 176.447 176.300 0.217 0.000 1.094 667 D CA 0.173 54.366 54.000 0.321 0.000 0.839 667 D CB 0.226 41.167 40.800 0.235 0.000 0.963 667 D HN 0.394 nan 8.370 nan 0.000 0.506 668 R N -0.387 120.244 120.500 0.218 0.000 2.740 668 R HA 0.596 4.935 4.340 -0.001 0.000 0.273 668 R C -1.446 174.762 176.300 -0.154 0.000 0.998 668 R CA -0.979 55.145 56.100 0.038 0.000 0.900 668 R CB 2.859 33.178 30.300 0.031 0.000 1.223 668 R HN -0.185 nan 8.270 nan 0.000 0.466 669 V N 3.882 123.527 119.914 -0.449 0.000 2.333 669 V HA 0.188 4.308 4.120 -0.001 0.000 0.274 669 V C 0.112 175.614 176.094 -0.987 0.000 1.028 669 V CA -0.189 61.388 62.300 -1.204 0.000 0.851 669 V CB 0.477 31.643 31.823 -1.094 0.000 1.000 669 V HN 0.763 nan 8.190 nan 0.000 0.456 670 F N 2.356 121.719 119.950 -0.978 0.000 2.678 670 F HA 0.443 4.970 4.527 -0.001 0.000 0.305 670 F C 0.432 175.755 175.800 -0.796 0.000 1.090 670 F CA -1.362 56.237 58.000 -0.668 0.000 1.272 670 F CB -0.411 38.278 39.000 -0.519 0.000 1.060 670 F HN 0.457 nan 8.300 nan 0.000 0.576 671 W N 0.342 121.040 121.300 -1.003 0.000 2.481 671 W HA 0.522 5.181 4.660 -0.001 0.000 0.369 671 W C -0.313 175.995 176.519 -0.351 0.000 1.235 671 W CA -1.502 55.287 57.345 -0.926 0.000 1.344 671 W CB 0.021 29.002 29.460 -0.800 0.000 1.360 671 W HN -0.232 nan 8.180 nan 0.000 0.658 672 D N 2.749 123.216 120.400 0.110 0.000 2.346 672 D HA 0.074 4.714 4.640 -0.001 0.000 0.260 672 D C -0.903 175.506 176.300 0.182 0.000 1.252 672 D CA -2.037 52.023 54.000 0.100 0.000 0.895 672 D CB 1.170 42.060 40.800 0.150 0.000 1.097 672 D HN 0.160 nan 8.370 nan 0.000 0.489 673 P HA -0.131 nan 4.420 nan 0.000 0.225 673 P C 0.896 178.271 177.300 0.124 0.000 1.148 673 P CA 0.659 63.809 63.100 0.083 0.000 0.779 673 P CB 0.195 31.869 31.700 -0.043 0.000 0.780 674 S N -1.727 114.034 115.700 0.101 0.000 2.558 674 S HA 0.099 4.569 4.470 -0.001 0.000 0.217 674 S C 0.774 175.440 174.600 0.111 0.000 0.975 674 S CA -0.257 57.996 58.200 0.089 0.000 0.912 674 S CB -0.615 62.621 63.200 0.060 0.000 0.776 674 S HN -0.102 nan 8.310 nan 0.000 0.526 675 V N 2.917 122.927 119.914 0.159 0.000 2.370 675 V HA 0.316 4.436 4.120 -0.001 0.000 0.279 675 V C 0.683 176.888 176.094 0.184 0.000 1.029 675 V CA -0.658 61.743 62.300 0.169 0.000 0.870 675 V CB 1.071 33.021 31.823 0.213 0.000 0.984 675 V HN 0.384 nan 8.190 nan 0.000 0.451 676 N N 3.480 122.248 118.700 0.112 0.000 2.300 676 N HA 0.138 4.878 4.740 -0.001 0.000 0.179 676 N C -0.045 175.454 175.510 -0.018 0.000 1.016 676 N CA 0.657 53.751 53.050 0.073 0.000 0.876 676 N CB 0.240 38.760 38.487 0.055 0.000 0.979 676 N HN 0.642 nan 8.380 nan 0.000 0.432 677 L N -2.326 118.863 121.223 -0.057 0.000 2.518 677 L HA 0.645 4.984 4.340 -0.001 0.000 0.257 677 L C -1.579 175.298 176.870 0.012 0.000 0.980 677 L CA -1.403 53.290 54.840 -0.245 0.000 0.837 677 L CB 1.490 43.157 42.059 -0.653 0.000 1.410 677 L HN -0.160 nan 8.230 nan 0.000 0.410 678 F N -1.222 118.695 119.950 -0.056 0.000 2.619 678 F HA 0.946 5.473 4.527 -0.001 0.000 0.308 678 F C -0.173 175.695 175.800 0.113 0.000 1.097 678 F CA -0.789 57.236 58.000 0.043 0.000 0.953 678 F CB 1.468 40.576 39.000 0.180 0.000 1.287 678 F HN 0.682 nan 8.300 nan 0.000 0.446 679 G N 0.157 109.092 108.800 0.225 0.000 2.441 679 G HA2 0.499 4.459 3.960 -0.001 0.000 0.334 679 G HA3 0.499 4.459 3.960 -0.001 0.000 0.334 679 G C -2.268 172.852 174.900 0.368 0.000 1.161 679 G CA -0.839 44.400 45.100 0.231 0.000 0.935 679 G HN 1.096 nan 8.290 nan 0.000 0.488 680 H N 0.522 119.846 119.070 0.425 0.000 2.587 680 H HA 0.504 5.059 4.556 -0.001 0.000 0.325 680 H C -0.717 174.857 175.328 0.410 0.000 1.012 680 H CA -0.646 55.637 56.048 0.391 0.000 1.213 680 H CB 1.301 31.358 29.762 0.490 0.000 1.431 680 H HN 0.253 nan 8.280 nan 0.000 0.492 681 V N 5.787 125.581 119.914 -0.199 0.000 2.427 681 V HA 0.325 4.444 4.120 -0.001 0.000 0.268 681 V C 1.381 177.276 176.094 -0.332 0.000 1.046 681 V CA 0.210 62.439 62.300 -0.117 0.000 0.970 681 V CB 0.816 32.589 31.823 -0.082 0.000 1.001 681 V HN 1.013 nan 8.190 nan 0.000 0.476 682 G N 3.596 112.310 108.800 -0.144 0.000 2.606 682 G HA2 0.299 4.258 3.960 -0.001 0.000 0.252 682 G HA3 0.299 4.258 3.960 -0.001 0.000 0.252 682 G C 0.933 175.835 174.900 0.003 0.000 1.206 682 G CA 0.046 45.107 45.100 -0.065 0.000 0.861 682 G HN 0.718 nan 8.290 nan 0.000 0.561 683 S N -0.932 114.796 115.700 0.047 0.000 2.395 683 S HA 0.046 4.515 4.470 -0.001 0.000 0.225 683 S C 1.363 175.993 174.600 0.049 0.000 1.027 683 S CA 1.137 59.367 58.200 0.050 0.000 0.965 683 S CB -0.119 63.120 63.200 0.066 0.000 0.812 683 S HN 1.038 nan 8.310 nan 0.000 0.482 684 T N -1.430 113.155 114.554 0.052 0.000 2.916 684 T HA 0.435 4.784 4.350 -0.001 0.000 0.292 684 T C 0.838 175.566 174.700 0.048 0.000 1.055 684 T CA -0.583 61.546 62.100 0.048 0.000 1.009 684 T CB 1.505 70.399 68.868 0.044 0.000 1.118 684 T HN -0.102 nan 8.240 nan 0.000 0.497 685 T N 1.457 116.041 114.554 0.050 0.000 2.720 685 T HA -0.061 4.288 4.350 -0.001 0.000 0.268 685 T C 2.394 177.108 174.700 0.024 0.000 1.037 685 T CA 1.681 63.812 62.100 0.052 0.000 1.144 685 T CB -0.819 68.084 68.868 0.058 0.000 0.864 685 T HN 0.849 nan 8.240 nan 0.000 0.444 686 A N 1.239 124.070 122.820 0.018 0.000 1.940 686 A HA -0.063 4.256 4.320 -0.001 0.000 0.219 686 A C 2.244 179.829 177.584 0.001 0.000 1.176 686 A CA 1.663 53.702 52.037 0.004 0.000 0.631 686 A CB -0.411 18.594 19.000 0.009 0.000 0.814 686 A HN 0.444 nan 8.150 nan 0.000 0.446 687 S N -0.675 115.036 115.700 0.019 0.000 2.583 687 S HA 0.099 4.568 4.470 -0.001 0.000 0.239 687 S C 1.396 176.015 174.600 0.031 0.000 0.966 687 S CA 0.054 58.271 58.200 0.028 0.000 0.973 687 S CB -0.025 63.208 63.200 0.054 0.000 0.794 687 S HN 0.765 nan 8.310 nan 0.000 0.463 688 R N 1.171 121.671 120.500 -0.000 0.000 2.249 688 R HA -0.025 4.314 4.340 -0.001 0.000 0.230 688 R C 1.619 177.857 176.300 -0.103 0.000 1.121 688 R CA 1.478 57.565 56.100 -0.023 0.000 0.997 688 R CB -0.678 29.598 30.300 -0.040 0.000 0.867 688 R HN 0.301 nan 8.270 nan 0.000 0.465 689 G N 0.883 109.606 108.800 -0.129 0.000 3.042 689 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.212 689 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.212 689 G C -0.093 174.843 174.900 0.059 0.000 1.166 689 G CA -0.475 44.501 45.100 -0.208 0.000 0.767 689 G HN 0.416 nan 8.290 nan 0.000 0.546 690 E N 1.207 121.480 120.200 0.122 0.000 2.217 690 E HA 0.263 4.612 4.350 -0.001 0.000 0.279 690 E C 0.506 177.263 176.600 0.263 0.000 1.068 690 E CA -0.542 55.957 56.400 0.165 0.000 0.882 690 E CB 0.044 29.829 29.700 0.141 0.000 1.039 690 E HN 0.200 nan 8.360 nan 0.000 0.418 691 L N 5.277 126.600 121.223 0.166 0.000 3.833 691 L HA -0.284 4.055 4.340 -0.001 0.000 0.447 691 L C 0.695 177.685 176.870 0.200 0.000 1.213 691 L CA 0.019 54.874 54.840 0.025 0.000 0.801 691 L CB -1.869 40.204 42.059 0.022 0.000 1.676 691 L HN 0.637 nan 8.230 nan 0.000 0.883 692 F N -0.867 119.133 119.950 0.084 0.000 2.615 692 F HA 0.453 4.979 4.527 -0.001 0.000 0.297 692 F C 0.443 176.433 175.800 0.317 0.000 1.124 692 F CA -0.024 58.121 58.000 0.242 0.000 1.451 692 F CB 0.147 39.162 39.000 0.026 0.000 1.103 692 F HN 0.097 nan 8.300 nan 0.000 0.569 693 L N 0.391 121.052 121.223 -0.936 0.000 2.455 693 L HA 0.582 4.921 4.340 -0.001 0.000 0.264 693 L C -1.814 174.636 176.870 -0.700 0.000 0.968 693 L CA -1.168 53.187 54.840 -0.808 0.000 0.827 693 L CB 1.787 43.047 42.059 -1.332 0.000 1.317 693 L HN -0.002 nan 8.230 nan 0.000 0.407 694 F N 2.853 122.413 119.950 -0.650 0.000 2.495 694 F HA 0.597 5.124 4.527 -0.001 0.000 0.327 694 F C -1.011 174.392 175.800 -0.662 0.000 1.103 694 F CA -0.156 57.449 58.000 -0.658 0.000 0.949 694 F CB 1.691 39.965 39.000 -1.210 0.000 1.142 694 F HN 0.365 nan 8.300 nan 0.000 0.457 695 W N 2.155 123.266 121.300 -0.315 0.000 2.632 695 W HA 0.364 5.023 4.660 -0.001 0.000 0.328 695 W C -0.433 175.953 176.519 -0.222 0.000 1.044 695 W CA -0.925 56.281 57.345 -0.232 0.000 1.225 695 W CB 1.270 30.625 29.460 -0.175 0.000 1.396 695 W HN 0.355 nan 8.180 nan 0.000 0.499 696 N N 3.286 122.006 118.700 0.034 0.000 2.558 696 N HA 0.291 5.030 4.740 -0.001 0.000 0.242 696 N C -0.745 174.778 175.510 0.022 0.000 0.979 696 N CA -0.295 52.746 53.050 -0.015 0.000 0.931 696 N CB 0.653 39.168 38.487 0.045 0.000 1.122 696 N HN 0.381 nan 8.380 nan 0.000 0.508 697 L N 2.964 124.097 121.223 -0.150 0.000 3.174 697 L HA 0.366 4.705 4.340 -0.001 0.000 0.283 697 L C -0.907 175.636 176.870 -0.545 0.000 1.187 697 L CA 0.015 54.608 54.840 -0.412 0.000 1.018 697 L CB -0.761 40.859 42.059 -0.733 0.000 1.433 697 L HN 0.481 nan 8.230 nan 0.000 0.593 698 Y N -1.021 119.391 120.300 0.187 0.000 2.650 698 Y HA 0.417 4.966 4.550 -0.001 0.000 0.331 698 Y C 1.586 177.595 175.900 0.182 0.000 1.082 698 Y CA -1.136 57.069 58.100 0.174 0.000 1.171 698 Y CB 0.801 39.371 38.460 0.183 0.000 1.326 698 Y HN -0.269 nan 8.280 nan 0.000 0.513 699 K N 1.199 121.801 120.400 0.335 0.000 2.002 699 K HA 0.059 4.378 4.320 -0.001 0.000 0.209 699 K C 0.559 177.291 176.600 0.220 0.000 1.048 699 K CA 1.271 57.684 56.287 0.211 0.000 0.930 699 K CB -0.424 32.164 32.500 0.147 0.000 0.714 699 K HN 0.739 nan 8.250 nan 0.000 0.438 700 A N 0.834 123.813 122.820 0.264 0.000 2.313 700 A HA 0.351 4.670 4.320 -0.001 0.000 0.261 700 A C -2.303 175.550 177.584 0.448 0.000 1.090 700 A CA -1.311 50.900 52.037 0.290 0.000 0.807 700 A CB -0.155 19.008 19.000 0.273 0.000 1.055 700 A HN 0.191 nan 8.150 nan 0.000 0.492 701 P HA 0.253 nan 4.420 nan 0.000 0.259 701 P C -1.105 176.665 177.300 0.784 0.000 1.635 701 P CA 0.820 64.315 63.100 0.659 0.000 1.199 701 P CB -0.421 31.568 31.700 0.482 0.000 1.850 702 I N 2.628 123.583 120.570 0.642 0.000 2.545 702 I HA 0.377 4.547 4.170 -0.001 0.000 0.292 702 I C -0.200 176.000 176.117 0.138 0.000 1.040 702 I CA -0.858 60.667 61.300 0.374 0.000 1.068 702 I CB 2.223 40.452 38.000 0.382 0.000 1.251 702 I HN -0.071 nan 8.210 nan 0.000 0.424 703 L N 6.394 127.628 121.223 0.019 0.000 2.365 703 L HA 0.589 4.928 4.340 -0.001 0.000 0.273 703 L C -0.943 175.962 176.870 0.059 0.000 1.000 703 L CA -0.735 54.057 54.840 -0.079 0.000 0.819 703 L CB 2.179 44.181 42.059 -0.094 0.000 1.284 703 L HN 0.389 nan 8.230 nan 0.000 0.418 704 L N 2.868 124.134 121.223 0.071 0.000 2.313 704 L HA 0.701 5.040 4.340 -0.001 0.000 0.283 704 L C -0.112 176.711 176.870 -0.078 0.000 1.013 704 L CA -0.493 54.358 54.840 0.019 0.000 0.816 704 L CB 1.890 43.950 42.059 0.002 0.000 1.236 704 L HN 0.657 nan 8.230 nan 0.000 0.419 705 A N 4.035 126.718 122.820 -0.229 0.000 2.330 705 A HA 0.753 5.072 4.320 -0.001 0.000 0.327 705 A C -0.917 176.454 177.584 -0.354 0.000 1.155 705 A CA -0.498 51.187 52.037 -0.587 0.000 0.803 705 A CB 1.237 19.799 19.000 -0.731 0.000 1.208 705 A HN 0.489 nan 8.150 nan 0.000 0.477 706 L N 1.784 122.781 121.223 -0.377 0.000 2.360 706 L HA 0.589 4.928 4.340 -0.001 0.000 0.271 706 L C -0.262 176.598 176.870 -0.018 0.000 1.057 706 L CA -0.102 54.626 54.840 -0.187 0.000 0.803 706 L CB 1.907 43.814 42.059 -0.254 0.000 1.207 706 L HN 0.417 nan 8.230 nan 0.000 0.445 707 V N 2.590 122.544 119.914 0.067 0.000 2.419 707 V HA 0.815 4.935 4.120 -0.001 0.000 0.287 707 V C -0.033 176.127 176.094 0.109 0.000 1.017 707 V CA -0.585 61.775 62.300 0.100 0.000 0.844 707 V CB 1.004 32.856 31.823 0.049 0.000 1.011 707 V HN 0.885 nan 8.190 nan 0.000 0.429 708 A N 3.314 126.189 122.820 0.092 0.000 2.344 708 A HA 1.032 5.351 4.320 -0.001 0.000 0.307 708 A C 0.887 178.415 177.584 -0.095 0.000 1.151 708 A CA 0.102 52.138 52.037 -0.002 0.000 0.842 708 A CB 1.066 20.030 19.000 -0.059 0.000 1.350 708 A HN 1.978 nan 8.150 nan 0.000 0.459 709 G N -0.058 108.669 108.800 -0.121 0.000 2.611 709 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.301 709 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.301 709 G C 0.716 175.556 174.900 -0.100 0.000 1.233 709 G CA 0.895 45.910 45.100 -0.141 0.000 0.993 709 G HN 0.863 nan 8.290 nan 0.000 0.553 710 E N 0.594 120.741 120.200 -0.089 0.000 2.153 710 E HA 0.027 4.376 4.350 -0.001 0.000 0.194 710 E C 2.975 179.556 176.600 -0.033 0.000 0.988 710 E CA 1.156 57.522 56.400 -0.057 0.000 0.811 710 E CB -0.258 29.413 29.700 -0.048 0.000 0.746 710 E HN 0.690 nan 8.360 nan 0.000 0.466 711 A N 1.719 124.521 122.820 -0.030 0.000 1.933 711 A HA -0.114 4.205 4.320 -0.001 0.000 0.218 711 A C 2.429 180.016 177.584 0.005 0.000 1.175 711 A CA 1.514 53.549 52.037 -0.003 0.000 0.628 711 A CB -0.571 18.436 19.000 0.013 0.000 0.814 711 A HN 0.289 nan 8.150 nan 0.000 0.444 712 A N -0.336 122.483 122.820 -0.001 0.000 1.884 712 A HA -0.025 4.294 4.320 -0.001 0.000 0.219 712 A C 2.443 180.037 177.584 0.017 0.000 1.197 712 A CA 2.314 54.359 52.037 0.014 0.000 0.637 712 A CB -1.490 17.512 19.000 0.005 0.000 0.827 712 A HN 0.780 nan 8.150 nan 0.000 0.450 713 G N -0.566 108.237 108.800 0.006 0.000 2.394 713 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.215 713 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.215 713 G C 1.546 176.451 174.900 0.008 0.000 1.165 713 G CA 0.993 46.099 45.100 0.012 0.000 0.784 713 G HN 0.480 nan 8.290 nan 0.000 0.535 714 I N 0.872 121.445 120.570 0.005 0.000 2.179 714 I HA -0.173 3.997 4.170 -0.001 0.000 0.242 714 I C 2.738 178.859 176.117 0.007 0.000 1.088 714 I CA 0.910 62.213 61.300 0.005 0.000 1.357 714 I CB -0.165 37.839 38.000 0.006 0.000 1.051 714 I HN 0.089 nan 8.210 nan 0.000 0.409 715 M N 0.004 119.610 119.600 0.010 0.000 2.346 715 M HA -0.186 4.293 4.480 -0.001 0.000 0.263 715 M C 1.943 178.243 176.300 0.001 0.000 1.064 715 M CA 1.466 56.772 55.300 0.010 0.000 1.083 715 M CB -1.201 31.409 32.600 0.016 0.000 1.399 715 M HN 0.318 nan 8.290 nan 0.000 0.435 716 E N 0.416 120.616 120.200 -0.000 0.000 2.265 716 E HA -0.169 4.181 4.350 -0.001 0.000 0.196 716 E C 1.132 177.722 176.600 -0.017 0.000 0.996 716 E CA 0.824 57.218 56.400 -0.011 0.000 0.832 716 E CB -0.336 29.360 29.700 -0.007 0.000 0.756 716 E HN 0.665 nan 8.360 nan 0.000 0.491 717 N N 0.039 118.733 118.700 -0.010 0.000 2.461 717 N HA 0.071 4.811 4.740 -0.001 0.000 0.188 717 N C -0.041 175.463 175.510 -0.010 0.000 1.134 717 N CA 0.218 53.261 53.050 -0.011 0.000 0.878 717 N CB 0.378 38.861 38.487 -0.006 0.000 0.972 717 N HN 0.047 nan 8.380 nan 0.000 0.456 718 I N 0.598 121.163 120.570 -0.010 0.000 2.392 718 I HA 0.150 4.319 4.170 -0.001 0.000 0.295 718 I C 0.543 176.651 176.117 -0.016 0.000 0.985 718 I CA -0.917 60.378 61.300 -0.008 0.000 1.221 718 I CB 1.412 39.412 38.000 -0.000 0.000 1.366 718 I HN 0.058 nan 8.210 nan 0.000 0.467 719 S N 2.644 118.334 115.700 -0.016 0.000 2.589 719 S HA 0.063 4.533 4.470 -0.001 0.000 0.265 719 S C 0.550 175.134 174.600 -0.027 0.000 1.342 719 S CA -0.454 57.732 58.200 -0.023 0.000 1.005 719 S CB 1.051 64.240 63.200 -0.019 0.000 0.909 719 S HN 0.597 nan 8.310 nan 0.000 0.555 720 D N 1.051 121.428 120.400 -0.038 0.000 2.104 720 D HA -0.103 4.536 4.640 -0.001 0.000 0.194 720 D C 1.497 177.776 176.300 -0.034 0.000 0.994 720 D CA 1.744 55.715 54.000 -0.047 0.000 0.830 720 D CB -0.334 40.427 40.800 -0.065 0.000 0.959 720 D HN 0.638 nan 8.370 nan 0.000 0.452 721 D N -0.047 120.337 120.400 -0.027 0.000 2.116 721 D HA -0.120 4.519 4.640 -0.001 0.000 0.193 721 D C 2.248 178.546 176.300 -0.004 0.000 0.998 721 D CA 0.767 54.758 54.000 -0.015 0.000 0.836 721 D CB -0.287 40.507 40.800 -0.011 0.000 0.951 721 D HN 0.116 nan 8.370 nan 0.000 0.449 722 V N 1.144 121.056 119.914 -0.002 0.000 2.358 722 V HA -0.184 3.935 4.120 -0.001 0.000 0.246 722 V C 2.403 178.505 176.094 0.012 0.000 1.047 722 V CA 0.834 63.138 62.300 0.007 0.000 1.035 722 V CB -0.267 31.560 31.823 0.006 0.000 0.658 722 V HN 0.097 nan 8.190 nan 0.000 0.452 723 I N -0.140 120.432 120.570 0.004 0.000 2.394 723 I HA -0.113 4.057 4.170 -0.001 0.000 0.251 723 I C 2.152 178.280 176.117 0.019 0.000 1.136 723 I CA 1.403 62.708 61.300 0.010 0.000 1.425 723 I CB -0.180 37.817 38.000 -0.005 0.000 1.079 723 I HN 0.060 nan 8.210 nan 0.000 0.425 724 V N 0.932 120.852 119.914 0.010 0.000 2.358 724 V HA -0.141 3.978 4.120 -0.001 0.000 0.246 724 V C 2.605 178.732 176.094 0.055 0.000 1.047 724 V CA 1.794 64.109 62.300 0.024 0.000 1.035 724 V CB -1.689 30.131 31.823 -0.005 0.000 0.658 724 V HN 0.555 nan 8.190 nan 0.000 0.452 725 G N 0.093 108.918 108.800 0.040 0.000 2.440 725 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.218 725 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.218 725 G C 1.723 176.657 174.900 0.056 0.000 1.154 725 G CA 0.732 45.859 45.100 0.046 0.000 0.767 725 G HN 0.461 nan 8.290 nan 0.000 0.552 726 R N -0.811 119.721 120.500 0.054 0.000 2.148 726 R HA 0.017 4.356 4.340 -0.001 0.000 0.227 726 R C 2.545 178.895 176.300 0.082 0.000 1.103 726 R CA 0.864 56.998 56.100 0.058 0.000 0.983 726 R CB -0.537 29.795 30.300 0.054 0.000 0.874 726 R HN 0.374 nan 8.270 nan 0.000 0.451 727 C N 0.625 119.997 119.300 0.119 0.000 2.476 727 C HA 0.011 4.470 4.460 -0.001 0.000 0.278 727 C C 2.515 177.637 174.990 0.220 0.000 1.274 727 C CA 0.503 59.654 59.018 0.222 0.000 1.713 727 C CB -0.718 27.169 27.740 0.245 0.000 2.039 727 C HN 0.435 nan 8.230 nan 0.000 0.484 728 L N 1.001 122.328 121.223 0.173 0.000 2.083 728 L HA -0.142 4.197 4.340 -0.001 0.000 0.209 728 L C 2.849 179.759 176.870 0.067 0.000 1.083 728 L CA 1.584 56.510 54.840 0.144 0.000 0.752 728 L CB -0.818 41.315 42.059 0.123 0.000 0.899 728 L HN 0.341 nan 8.230 nan 0.000 0.433 729 A N 0.346 123.197 122.820 0.052 0.000 1.902 729 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 729 A C 2.181 179.761 177.584 -0.008 0.000 1.181 729 A CA 1.316 53.365 52.037 0.019 0.000 0.623 729 A CB -0.419 18.595 19.000 0.024 0.000 0.818 729 A HN 0.245 nan 8.150 nan 0.000 0.443 730 I N -0.329 120.232 120.570 -0.016 0.000 2.142 730 I HA -0.177 3.992 4.170 -0.001 0.000 0.240 730 I C 2.360 178.415 176.117 -0.105 0.000 1.078 730 I CA 1.065 62.302 61.300 -0.106 0.000 1.343 730 I CB -1.402 36.514 38.000 -0.140 0.000 1.046 730 I HN 0.171 nan 8.210 nan 0.000 0.405 731 L N 0.827 122.028 121.223 -0.037 0.000 2.042 731 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 731 L C 2.442 179.317 176.870 0.009 0.000 1.076 731 L CA 1.738 56.596 54.840 0.031 0.000 0.749 731 L CB -1.201 40.974 42.059 0.194 0.000 0.893 731 L HN 0.271 nan 8.230 nan 0.000 0.432 732 K N -1.054 119.324 120.400 -0.037 0.000 2.211 732 K HA -0.085 4.234 4.320 -0.001 0.000 0.203 732 K C 1.979 178.529 176.600 -0.084 0.000 1.050 732 K CA 1.036 57.283 56.287 -0.067 0.000 0.945 732 K CB -0.397 32.067 32.500 -0.060 0.000 0.732 732 K HN 0.439 nan 8.250 nan 0.000 0.451 733 G N 1.051 109.794 108.800 -0.095 0.000 2.448 733 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.218 733 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.218 733 G C 1.352 176.133 174.900 -0.199 0.000 1.135 733 G CA 0.305 45.344 45.100 -0.101 0.000 0.784 733 G HN 0.045 nan 8.290 nan 0.000 0.543 734 I N -0.251 120.098 120.570 -0.367 0.000 2.429 734 I HA 0.197 4.367 4.170 -0.001 0.000 0.247 734 I C 1.766 177.398 176.117 -0.809 0.000 1.099 734 I CA 0.592 61.422 61.300 -0.784 0.000 1.422 734 I CB -1.062 36.083 38.000 -1.425 0.000 1.112 734 I HN 0.089 nan 8.210 nan 0.000 0.430 735 F N 1.046 120.852 119.950 -0.240 0.000 2.695 735 F HA 0.517 5.043 4.527 -0.001 0.000 0.303 735 F C 1.234 176.947 175.800 -0.146 0.000 1.091 735 F CA 0.061 57.962 58.000 -0.166 0.000 1.300 735 F CB -0.326 38.624 39.000 -0.083 0.000 1.071 735 F HN 0.161 nan 8.300 nan 0.000 0.578 736 G N 0.999 109.782 108.800 -0.029 0.000 2.777 736 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.686 736 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.686 736 G C 0.022 174.882 174.900 -0.066 0.000 1.177 736 G CA -0.602 44.472 45.100 -0.044 0.000 0.775 736 G HN 0.482 nan 8.290 nan 0.000 0.613 737 S N 0.725 116.385 115.700 -0.067 0.000 2.589 737 S HA 0.665 5.135 4.470 -0.001 0.000 0.265 737 S C 1.691 176.240 174.600 -0.085 0.000 1.342 737 S CA 1.129 59.280 58.200 -0.081 0.000 1.005 737 S CB 1.490 64.658 63.200 -0.054 0.000 0.909 737 S HN 2.980 nan 8.310 nan 0.000 0.555 738 S N -0.369 115.273 115.700 -0.097 0.000 2.206 738 S HA -0.276 4.194 4.470 -0.001 0.000 0.241 738 S C 1.203 175.730 174.600 -0.122 0.000 1.163 738 S CA 1.380 59.529 58.200 -0.086 0.000 1.532 738 S CB -2.258 60.908 63.200 -0.057 0.000 1.946 738 S HN 2.095 nan 8.310 nan 0.000 0.590 739 A N 0.689 123.409 122.820 -0.167 0.000 2.095 739 A HA 0.663 4.983 4.320 -0.001 0.000 0.212 739 A C 0.855 178.134 177.584 -0.507 0.000 1.162 739 A CA 1.041 52.945 52.037 -0.221 0.000 0.753 739 A CB 0.288 19.210 19.000 -0.131 0.000 0.840 739 A HN 1.182 nan 8.150 nan 0.000 0.468 740 V N 3.587 123.161 119.914 -0.566 0.000 2.294 740 V HA 0.276 4.396 4.120 -0.001 0.000 0.272 740 V C -2.172 173.683 176.094 -0.398 0.000 1.027 740 V CA -1.625 60.145 62.300 -0.883 0.000 0.823 740 V CB 0.976 32.358 31.823 -0.735 0.000 1.030 740 V HN 0.356 nan 8.190 nan 0.000 0.457 741 P HA 0.249 nan 4.420 nan 0.000 0.276 741 P C -0.707 176.706 177.300 0.188 0.000 1.261 741 P CA -0.618 62.481 63.100 -0.002 0.000 0.800 741 P CB 0.886 32.629 31.700 0.071 0.000 1.066 742 Q N 0.453 120.358 119.800 0.176 0.000 2.352 742 Q HA 0.262 4.602 4.340 -0.001 0.000 0.260 742 Q C -1.970 174.183 176.000 0.256 0.000 0.976 742 Q CA -1.352 54.566 55.803 0.191 0.000 0.881 742 Q CB -0.558 28.241 28.738 0.101 0.000 1.235 742 Q HN 0.332 nan 8.270 nan 0.000 0.419 743 P HA 0.091 nan 4.420 nan 0.000 0.271 743 P C 0.290 177.554 177.300 -0.059 0.000 1.216 743 P CA -0.104 62.922 63.100 -0.123 0.000 0.776 743 P CB 0.780 32.270 31.700 -0.350 0.000 0.881 744 K N 1.163 121.526 120.400 -0.061 0.000 2.186 744 K HA 0.060 4.379 4.320 -0.001 0.000 0.202 744 K C 0.313 176.869 176.600 -0.073 0.000 1.052 744 K CA 1.096 57.380 56.287 -0.005 0.000 0.965 744 K CB 0.341 32.893 32.500 0.087 0.000 0.746 744 K HN 0.544 nan 8.250 nan 0.000 0.457 745 E N 0.959 121.037 120.200 -0.204 0.000 2.308 745 E HA 0.182 4.531 4.350 -0.001 0.000 0.275 745 E C -0.943 175.466 176.600 -0.317 0.000 0.890 745 E CA -0.311 55.957 56.400 -0.220 0.000 0.754 745 E CB 2.423 31.997 29.700 -0.211 0.000 1.207 745 E HN 0.108 nan 8.360 nan 0.000 0.426 746 T N -1.755 112.624 114.554 -0.291 0.000 2.909 746 T HA 0.734 5.083 4.350 -0.001 0.000 0.299 746 T C -0.566 173.909 174.700 -0.375 0.000 1.073 746 T CA -0.703 61.208 62.100 -0.315 0.000 0.999 746 T CB 1.451 70.192 68.868 -0.212 0.000 1.098 746 T HN 0.107 nan 8.240 nan 0.000 0.477 747 V N 1.895 121.569 119.914 -0.400 0.000 2.760 747 V HA 0.724 4.843 4.120 -0.001 0.000 0.309 747 V C -0.805 175.140 176.094 -0.248 0.000 1.077 747 V CA -0.838 61.222 62.300 -0.399 0.000 0.910 747 V CB 2.052 33.499 31.823 -0.627 0.000 1.008 747 V HN 0.958 nan 8.190 nan 0.000 0.424 748 V N 2.999 122.797 119.914 -0.194 0.000 2.577 748 V HA 0.574 4.693 4.120 -0.001 0.000 0.303 748 V C 0.180 176.183 176.094 -0.152 0.000 1.042 748 V CA -0.463 61.754 62.300 -0.140 0.000 0.872 748 V CB 2.211 33.968 31.823 -0.111 0.000 0.998 748 V HN 1.035 nan 8.190 nan 0.000 0.423 749 S N 5.039 120.661 115.700 -0.130 0.000 2.616 749 S HA 0.685 5.154 4.470 -0.001 0.000 0.277 749 S C -0.128 174.355 174.600 -0.195 0.000 1.234 749 S CA -0.788 57.269 58.200 -0.239 0.000 1.028 749 S CB 1.274 64.360 63.200 -0.189 0.000 0.988 749 S HN 0.707 nan 8.310 nan 0.000 0.522 750 R N 1.209 121.519 120.500 -0.316 0.000 2.655 750 R HA 0.167 4.506 4.340 -0.001 0.000 0.261 750 R C -0.537 175.664 176.300 -0.164 0.000 1.624 750 R CA -0.238 55.768 56.100 -0.157 0.000 1.655 750 R CB 0.020 30.241 30.300 -0.132 0.000 1.356 750 R HN 0.839 nan 8.270 nan 0.000 0.684 751 W N 0.533 121.841 121.300 0.014 0.000 2.363 751 W HA -0.141 4.518 4.660 -0.001 0.000 0.296 751 W C 2.305 178.850 176.519 0.042 0.000 1.212 751 W CA 0.777 58.144 57.345 0.037 0.000 1.260 751 W CB 0.007 29.493 29.460 0.044 0.000 1.131 751 W HN 0.292 nan 8.180 nan 0.000 0.530 752 R N 1.005 121.633 120.500 0.213 0.000 2.081 752 R HA -0.088 4.251 4.340 -0.001 0.000 0.235 752 R C 2.100 178.445 176.300 0.075 0.000 1.131 752 R CA 1.966 58.153 56.100 0.146 0.000 0.960 752 R CB -1.027 29.330 30.300 0.094 0.000 0.856 752 R HN 0.047 nan 8.270 nan 0.000 0.436 753 A N 0.189 123.020 122.820 0.018 0.000 2.119 753 A HA -0.025 4.294 4.320 -0.001 0.000 0.216 753 A C 0.428 177.962 177.584 -0.084 0.000 1.152 753 A CA 0.551 52.565 52.037 -0.039 0.000 0.708 753 A CB -0.474 18.492 19.000 -0.057 0.000 0.805 753 A HN 0.367 nan 8.150 nan 0.000 0.460 754 D N 0.763 121.124 120.400 -0.064 0.000 2.363 754 D HA 0.061 4.700 4.640 -0.001 0.000 0.263 754 D C -1.312 174.904 176.300 -0.140 0.000 1.258 754 D CA -1.746 52.189 54.000 -0.109 0.000 0.907 754 D CB 1.085 41.859 40.800 -0.045 0.000 1.107 754 D HN 0.165 nan 8.370 nan 0.000 0.495 755 P HA -0.112 nan 4.420 nan 0.000 0.222 755 P C 0.833 177.861 177.300 -0.453 0.000 1.147 755 P CA 0.926 63.701 63.100 -0.542 0.000 0.790 755 P CB -0.099 31.067 31.700 -0.889 0.000 0.780 756 W N -0.672 120.669 121.300 0.069 0.000 3.256 756 W HA 0.415 5.075 4.660 -0.001 0.000 0.269 756 W C 1.890 178.492 176.519 0.138 0.000 1.310 756 W CA 0.047 57.442 57.345 0.084 0.000 1.673 756 W CB 0.029 29.537 29.460 0.079 0.000 1.115 756 W HN 0.017 nan 8.180 nan 0.000 0.686 757 A N -0.428 122.580 122.820 0.313 0.000 1.852 757 A HA 0.255 4.574 4.320 -0.001 0.000 0.205 757 A C 1.406 179.184 177.584 0.323 0.000 1.757 757 A CA -0.107 52.154 52.037 0.373 0.000 1.088 757 A CB 0.232 19.595 19.000 0.606 0.000 1.079 757 A HN -0.031 nan 8.150 nan 0.000 0.524 758 R N -0.598 120.068 120.500 0.275 0.000 3.878 758 R HA -0.138 4.201 4.340 -0.001 0.000 0.330 758 R C 0.441 177.005 176.300 0.441 0.000 1.186 758 R CA 1.285 57.529 56.100 0.240 0.000 0.885 758 R CB -2.500 27.863 30.300 0.105 0.000 1.377 758 R HN 2.021 nan 8.270 nan 0.000 0.523 759 G N -2.620 106.478 108.800 0.497 0.000 2.359 759 G HA2 0.159 4.119 3.960 -0.001 0.000 0.293 759 G HA3 0.159 4.119 3.960 -0.001 0.000 0.293 759 G C 0.339 175.276 174.900 0.061 0.000 1.300 759 G CA 0.261 45.513 45.100 0.253 0.000 0.888 759 G HN 0.250 nan 8.290 nan 0.000 0.541 760 S N -1.274 114.183 115.700 -0.405 0.000 2.444 760 S HA 0.579 5.048 4.470 -0.001 0.000 0.223 760 S C 0.551 174.973 174.600 -0.297 0.000 1.054 760 S CA 1.646 59.600 58.200 -0.409 0.000 0.947 760 S CB -0.065 62.861 63.200 -0.457 0.000 0.850 760 S HN 2.014 nan 8.310 nan 0.000 0.527 761 Y N 0.506 120.384 120.300 -0.704 0.000 2.662 761 Y HA 0.685 5.234 4.550 -0.001 0.000 0.334 761 Y C -0.439 175.209 175.900 -0.421 0.000 1.185 761 Y CA -1.426 56.406 58.100 -0.447 0.000 1.074 761 Y CB 0.286 38.660 38.460 -0.144 0.000 1.330 761 Y HN 0.189 nan 8.280 nan 0.000 0.458 762 S N 0.990 116.833 115.700 0.237 0.000 2.589 762 S HA 0.624 5.093 4.470 -0.001 0.000 0.265 762 S C -0.878 173.946 174.600 0.373 0.000 1.342 762 S CA 0.133 58.521 58.200 0.313 0.000 1.005 762 S CB 0.446 63.921 63.200 0.458 0.000 0.909 762 S HN 1.243 nan 8.310 nan 0.000 0.555 763 Y N -2.299 118.146 120.300 0.242 0.000 2.609 763 Y HA 0.646 5.196 4.550 -0.001 0.000 0.336 763 Y C -1.336 174.722 175.900 0.264 0.000 1.129 763 Y CA -1.736 56.509 58.100 0.242 0.000 1.040 763 Y CB 0.590 39.126 38.460 0.128 0.000 1.310 763 Y HN 0.417 nan 8.280 nan 0.000 0.460 764 V N 3.177 123.381 119.914 0.484 0.000 2.370 764 V HA 0.577 4.697 4.120 -0.001 0.000 0.257 764 V C 0.719 177.048 176.094 0.391 0.000 1.064 764 V CA -0.045 62.473 62.300 0.363 0.000 0.975 764 V CB -0.489 31.573 31.823 0.398 0.000 1.067 764 V HN 0.962 nan 8.190 nan 0.000 0.485 765 A N 4.580 127.515 122.820 0.193 0.000 2.351 765 A HA 0.721 5.040 4.320 -0.001 0.000 0.257 765 A C 0.883 178.582 177.584 0.191 0.000 1.087 765 A CA 0.034 52.230 52.037 0.265 0.000 0.798 765 A CB 0.407 19.454 19.000 0.078 0.000 1.033 765 A HN 1.303 nan 8.150 nan 0.000 0.488 766 A N 0.508 123.430 122.820 0.169 0.000 2.537 766 A HA 0.470 4.790 4.320 -0.001 0.000 0.260 766 A C 1.478 179.109 177.584 0.078 0.000 1.082 766 A CA 0.854 52.954 52.037 0.105 0.000 0.765 766 A CB -1.079 17.954 19.000 0.054 0.000 1.019 766 A HN 2.701 nan 8.150 nan 0.000 0.507 767 G N 1.066 109.916 108.800 0.084 0.000 2.201 767 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.212 767 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.212 767 G C 0.512 175.443 174.900 0.053 0.000 0.994 767 G CA 0.540 45.675 45.100 0.057 0.000 0.644 767 G HN 1.587 nan 8.290 nan 0.000 0.508 768 S N -0.690 115.053 115.700 0.072 0.000 2.786 768 S HA 0.937 5.406 4.470 -0.001 0.000 0.307 768 S C 0.194 174.827 174.600 0.056 0.000 1.121 768 S CA 1.066 59.283 58.200 0.027 0.000 0.975 768 S CB 1.886 65.078 63.200 -0.013 0.000 1.220 768 S HN 2.000 nan 8.310 nan 0.000 0.550 769 S N -0.782 114.897 115.700 -0.034 0.000 2.655 769 S HA 0.494 4.963 4.470 -0.001 0.000 0.266 769 S C 0.882 175.447 174.600 -0.059 0.000 1.149 769 S CA -0.155 57.917 58.200 -0.213 0.000 0.818 769 S CB 0.446 63.361 63.200 -0.475 0.000 1.130 769 S HN 1.112 nan 8.310 nan 0.000 0.476 770 G N 0.697 109.445 108.800 -0.086 0.000 2.479 770 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.220 770 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.220 770 G C 0.975 175.949 174.900 0.124 0.000 1.115 770 G CA 1.041 46.219 45.100 0.129 0.000 0.757 770 G HN 0.758 nan 8.290 nan 0.000 0.560 771 N N 0.440 119.133 118.700 -0.013 0.000 2.289 771 N HA -0.060 4.679 4.740 -0.001 0.000 0.184 771 N C 1.546 177.048 175.510 -0.013 0.000 1.016 771 N CA 1.027 54.066 53.050 -0.018 0.000 0.872 771 N CB 0.001 38.456 38.487 -0.053 0.000 0.973 771 N HN 0.110 nan 8.380 nan 0.000 0.433 772 D N -0.822 119.547 120.400 -0.052 0.000 2.218 772 D HA -0.133 4.506 4.640 -0.001 0.000 0.204 772 D C 1.238 177.442 176.300 -0.160 0.000 0.976 772 D CA 0.873 54.795 54.000 -0.129 0.000 0.853 772 D CB -0.171 40.498 40.800 -0.217 0.000 0.939 772 D HN 0.431 nan 8.370 nan 0.000 0.481 773 Y N 1.198 121.473 120.300 -0.040 0.000 2.242 773 Y HA -0.117 4.433 4.550 -0.001 0.000 0.291 773 Y C 2.158 178.027 175.900 -0.051 0.000 1.137 773 Y CA 0.909 58.984 58.100 -0.042 0.000 1.181 773 Y CB -0.093 38.338 38.460 -0.048 0.000 0.989 773 Y HN -0.094 nan 8.280 nan 0.000 0.527 774 D N -0.110 120.346 120.400 0.094 0.000 2.117 774 D HA -0.132 4.507 4.640 -0.001 0.000 0.198 774 D C 2.205 178.514 176.300 0.015 0.000 0.982 774 D CA 1.052 55.072 54.000 0.033 0.000 0.828 774 D CB -0.363 40.438 40.800 0.002 0.000 0.967 774 D HN 0.291 nan 8.370 nan 0.000 0.464 775 L N 0.128 121.357 121.223 0.011 0.000 2.131 775 L HA -0.126 4.214 4.340 -0.001 0.000 0.210 775 L C 2.394 179.310 176.870 0.077 0.000 1.092 775 L CA 0.628 55.507 54.840 0.066 0.000 0.759 775 L CB -0.247 41.868 42.059 0.093 0.000 0.903 775 L HN 0.045 nan 8.230 nan 0.000 0.435 776 M N -0.794 118.783 119.600 -0.039 0.000 2.296 776 M HA -0.102 4.377 4.480 -0.001 0.000 0.265 776 M C 2.370 178.593 176.300 -0.129 0.000 1.064 776 M CA 1.476 56.683 55.300 -0.154 0.000 1.109 776 M CB -1.034 31.486 32.600 -0.133 0.000 1.396 776 M HN 0.274 nan 8.290 nan 0.000 0.430 777 A N -0.859 121.958 122.820 -0.005 0.000 2.072 777 A HA -0.008 4.311 4.320 -0.001 0.000 0.216 777 A C 1.157 178.829 177.584 0.147 0.000 1.156 777 A CA 0.250 52.331 52.037 0.074 0.000 0.701 777 A CB -0.181 18.855 19.000 0.060 0.000 0.816 777 A HN 0.336 nan 8.150 nan 0.000 0.458 778 Q N 0.761 120.638 119.800 0.128 0.000 2.263 778 Q HA 0.162 4.501 4.340 -0.001 0.000 0.289 778 Q C -2.443 173.713 176.000 0.261 0.000 1.061 778 Q CA -1.431 54.473 55.803 0.169 0.000 0.927 778 Q CB 0.105 28.926 28.738 0.139 0.000 1.154 778 Q HN 0.268 nan 8.270 nan 0.000 0.378 779 P HA 0.168 nan 4.420 nan 0.000 0.274 779 P C -0.439 176.887 177.300 0.044 0.000 1.231 779 P CA -0.348 62.737 63.100 -0.024 0.000 0.790 779 P CB 0.691 32.184 31.700 -0.345 0.000 0.951 780 I N 1.766 122.298 120.570 -0.065 0.000 2.331 780 I HA 0.303 4.472 4.170 -0.001 0.000 0.292 780 I C 0.552 176.631 176.117 -0.062 0.000 0.998 780 I CA -0.045 61.246 61.300 -0.014 0.000 1.267 780 I CB 0.638 38.543 38.000 -0.158 0.000 1.386 780 I HN 0.351 nan 8.210 nan 0.000 0.476 781 T N 5.580 120.172 114.554 0.063 0.000 2.881 781 T HA 0.630 4.979 4.350 -0.001 0.000 0.291 781 T C -2.169 172.610 174.700 0.131 0.000 0.990 781 T CA -1.326 60.815 62.100 0.068 0.000 0.976 781 T CB 2.048 70.934 68.868 0.030 0.000 0.970 781 T HN 0.368 nan 8.240 nan 0.000 0.438 793 I N 0.733 121.325 120.570 0.036 0.000 2.752 793 I HA 0.427 4.596 4.170 -0.001 0.000 0.290 793 I C -2.997 173.149 176.117 0.048 0.000 1.507 793 I CA -1.602 59.709 61.300 0.019 0.000 1.038 793 I CB 2.240 40.229 38.000 -0.018 0.000 1.390 793 I HN -0.304 nan 8.210 nan 0.000 0.435 794 P HA 0.060 nan 4.420 nan 0.000 0.257 794 P C -0.475 176.886 177.300 0.101 0.000 1.153 794 P CA 0.571 63.664 63.100 -0.012 0.000 0.762 794 P CB 0.409 32.159 31.700 0.083 0.000 0.743 795 R N 3.032 123.483 120.500 -0.082 0.000 2.320 795 R HA 0.295 4.634 4.340 -0.001 0.000 0.193 795 R C -0.118 176.131 176.300 -0.085 0.000 0.885 795 R CA 0.134 56.305 56.100 0.118 0.000 1.085 795 R CB -0.041 30.370 30.300 0.185 0.000 1.253 795 R HN 0.281 nan 8.270 nan 0.000 0.636 796 L N 1.651 122.603 121.223 -0.452 0.000 2.287 796 L HA 0.539 4.879 4.340 -0.001 0.000 0.287 796 L C -1.436 174.969 176.870 -0.776 0.000 1.022 796 L CA -0.353 54.169 54.840 -0.531 0.000 0.814 796 L CB 0.752 42.396 42.059 -0.693 0.000 1.217 796 L HN -0.089 nan 8.230 nan 0.000 0.420 797 F N 4.516 124.221 119.950 -0.409 0.000 2.523 797 F HA 0.659 5.185 4.527 -0.001 0.000 0.329 797 F C -0.531 174.905 175.800 -0.607 0.000 1.061 797 F CA -0.455 57.366 58.000 -0.299 0.000 0.967 797 F CB 1.543 40.474 39.000 -0.116 0.000 1.218 797 F HN 0.195 nan 8.300 nan 0.000 0.480 798 F N 0.902 120.932 119.950 0.133 0.000 2.540 798 F HA 0.781 5.308 4.527 -0.001 0.000 0.317 798 F C -0.017 175.794 175.800 0.018 0.000 1.104 798 F CA -0.807 57.222 58.000 0.049 0.000 0.913 798 F CB 1.813 40.804 39.000 -0.015 0.000 1.170 798 F HN 0.595 nan 8.300 nan 0.000 0.450 799 A N 1.435 124.348 122.820 0.155 0.000 2.532 799 A HA 1.012 5.331 4.320 -0.001 0.000 0.290 799 A C -0.354 177.248 177.584 0.030 0.000 1.143 799 A CA -0.391 51.679 52.037 0.056 0.000 0.728 799 A CB 1.769 20.791 19.000 0.037 0.000 1.317 799 A HN 1.647 nan 8.150 nan 0.000 0.414 800 G N -0.470 108.330 108.800 0.001 0.000 2.334 800 G HA2 0.434 4.393 3.960 -0.001 0.000 0.566 800 G HA3 0.434 4.393 3.960 -0.001 0.000 0.566 800 G C -0.038 174.897 174.900 0.058 0.000 1.413 800 G CA 0.534 45.687 45.100 0.087 0.000 0.993 800 G HN 1.668 nan 8.290 nan 0.000 0.642 801 E N -0.344 119.974 120.200 0.197 0.000 2.267 801 E HA -0.218 4.132 4.350 -0.001 0.000 0.197 801 E C 1.634 178.385 176.600 0.251 0.000 0.998 801 E CA 2.313 58.811 56.400 0.165 0.000 0.830 801 E CB -0.335 29.458 29.700 0.155 0.000 0.751 801 E HN 0.861 nan 8.360 nan 0.000 0.491 802 H N 0.003 119.203 119.070 0.217 0.000 2.533 802 H HA 0.185 4.740 4.556 -0.001 0.000 0.271 802 H C 0.706 176.193 175.328 0.265 0.000 1.000 802 H CA 1.182 57.397 56.048 0.279 0.000 1.149 802 H CB -0.287 29.560 29.762 0.142 0.000 1.375 802 H HN 0.339 nan 8.280 nan 0.000 0.582 803 T N -2.000 112.460 114.554 -0.157 0.000 3.084 803 T HA 0.239 4.589 4.350 -0.001 0.000 0.270 803 T C 0.314 175.036 174.700 0.037 0.000 1.008 803 T CA -0.413 61.629 62.100 -0.096 0.000 0.900 803 T CB 0.039 68.790 68.868 -0.195 0.000 1.084 803 T HN 0.137 nan 8.240 nan 0.000 0.538 804 I N 2.478 123.087 120.570 0.065 0.000 2.466 804 I HA 0.473 4.642 4.170 -0.001 0.000 0.279 804 I C 1.087 177.111 176.117 -0.154 0.000 1.033 804 I CA -1.084 60.213 61.300 -0.005 0.000 1.123 804 I CB 1.343 39.358 38.000 0.026 0.000 1.237 804 I HN 0.146 nan 8.210 nan 0.000 0.460 805 R N 4.978 125.371 120.500 -0.178 0.000 2.103 805 R HA -0.164 4.175 4.340 -0.001 0.000 0.242 805 R C 0.666 176.657 176.300 -0.516 0.000 1.142 805 R CA 2.039 57.929 56.100 -0.350 0.000 0.960 805 R CB 0.289 30.491 30.300 -0.164 0.000 0.858 805 R HN 0.621 nan 8.270 nan 0.000 0.439 806 N N -0.942 117.360 118.700 -0.664 0.000 2.412 806 N HA -0.047 4.692 4.740 -0.001 0.000 0.184 806 N C -0.459 174.326 175.510 -1.208 0.000 1.101 806 N CA 0.710 53.058 53.050 -1.171 0.000 0.881 806 N CB 0.544 37.730 38.487 -2.168 0.000 0.969 806 N HN 0.292 nan 8.380 nan 0.000 0.459 807 Y N -0.152 119.987 120.300 -0.269 0.000 2.685 807 Y HA 0.335 4.884 4.550 -0.001 0.000 0.284 807 Y C -2.397 173.376 175.900 -0.212 0.000 0.944 807 Y CA -2.207 55.799 58.100 -0.157 0.000 1.107 807 Y CB 0.686 39.133 38.460 -0.020 0.000 1.188 807 Y HN -0.067 nan 8.280 nan 0.000 0.635 808 P HA 0.188 nan 4.420 nan 0.000 0.274 808 P C 0.510 177.762 177.300 -0.081 0.000 1.246 808 P CA 0.557 63.559 63.100 -0.164 0.000 0.795 808 P CB 1.541 32.971 31.700 -0.451 0.000 1.006 809 A N -0.419 122.410 122.820 0.014 0.000 2.783 809 A HA -0.120 4.199 4.320 -0.001 0.000 0.292 809 A C 0.518 177.915 177.584 -0.312 0.000 1.495 809 A CA 1.493 53.496 52.037 -0.057 0.000 0.787 809 A CB -2.834 16.213 19.000 0.078 0.000 1.017 809 A HN 0.910 nan 8.150 nan 0.000 0.516 810 T N -5.416 108.964 114.554 -0.290 0.000 2.864 810 T HA 0.632 4.981 4.350 -0.001 0.000 0.299 810 T C 0.776 175.268 174.700 -0.345 0.000 1.166 810 T CA -0.157 61.690 62.100 -0.422 0.000 1.007 810 T CB 1.623 70.001 68.868 -0.818 0.000 1.219 810 T HN 0.777 nan 8.240 nan 0.000 0.506 811 V N 1.667 121.425 119.914 -0.260 0.000 2.453 811 V HA -0.137 3.982 4.120 -0.001 0.000 0.247 811 V C 2.707 178.752 176.094 -0.081 0.000 1.048 811 V CA 2.018 64.224 62.300 -0.156 0.000 1.049 811 V CB -1.255 30.492 31.823 -0.127 0.000 0.672 811 V HN 1.042 nan 8.190 nan 0.000 0.457 812 H N 0.101 119.202 119.070 0.052 0.000 2.423 812 H HA -0.008 4.547 4.556 -0.001 0.000 0.297 812 H C 2.329 177.652 175.328 -0.008 0.000 1.075 812 H CA 1.565 57.639 56.048 0.044 0.000 1.342 812 H CB -0.622 29.211 29.762 0.120 0.000 1.395 812 H HN 0.386 nan 8.280 nan 0.000 0.530 813 G N 1.002 109.619 108.800 -0.306 0.000 2.402 813 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.216 813 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.216 813 G C 2.018 176.892 174.900 -0.043 0.000 1.162 813 G CA 1.329 46.378 45.100 -0.085 0.000 0.777 813 G HN 0.622 nan 8.290 nan 0.000 0.539 814 A N 0.570 123.350 122.820 -0.067 0.000 1.877 814 A HA 0.056 4.375 4.320 -0.001 0.000 0.216 814 A C 2.370 179.943 177.584 -0.019 0.000 1.186 814 A CA 1.638 53.661 52.037 -0.025 0.000 0.620 814 A CB -0.535 18.448 19.000 -0.029 0.000 0.822 814 A HN 0.438 nan 8.150 nan 0.000 0.443 815 L N -0.151 121.062 121.223 -0.016 0.000 1.989 815 L HA -0.181 4.159 4.340 -0.001 0.000 0.211 815 L C 2.386 179.229 176.870 -0.045 0.000 1.071 815 L CA 1.935 56.771 54.840 -0.006 0.000 0.749 815 L CB -0.365 41.716 42.059 0.037 0.000 0.890 815 L HN 0.424 nan 8.230 nan 0.000 0.431 816 L N -0.646 120.541 121.223 -0.060 0.000 2.083 816 L HA -0.204 4.136 4.340 -0.001 0.000 0.209 816 L C 2.759 179.596 176.870 -0.056 0.000 1.083 816 L CA 1.448 56.230 54.840 -0.097 0.000 0.752 816 L CB -0.868 41.127 42.059 -0.107 0.000 0.899 816 L HN 0.566 nan 8.230 nan 0.000 0.433 817 S N -0.155 115.531 115.700 -0.023 0.000 2.399 817 S HA -0.116 4.353 4.470 -0.001 0.000 0.231 817 S C 2.059 176.649 174.600 -0.017 0.000 1.022 817 S CA 0.996 59.191 58.200 -0.008 0.000 0.983 817 S CB -0.867 62.332 63.200 -0.002 0.000 0.803 817 S HN 0.427 nan 8.310 nan 0.000 0.480 818 G N 1.948 110.730 108.800 -0.029 0.000 2.402 818 G HA2 0.018 3.978 3.960 -0.001 0.000 0.216 818 G HA3 0.018 3.978 3.960 -0.001 0.000 0.216 818 G C 1.488 176.350 174.900 -0.064 0.000 1.162 818 G CA 0.819 45.894 45.100 -0.041 0.000 0.777 818 G HN 0.504 nan 8.290 nan 0.000 0.539 819 L N -0.039 121.135 121.223 -0.082 0.000 2.046 819 L HA -0.056 4.284 4.340 -0.001 0.000 0.208 819 L C 2.922 179.743 176.870 -0.083 0.000 1.077 819 L CA 1.307 56.084 54.840 -0.106 0.000 0.747 819 L CB -0.460 41.488 42.059 -0.184 0.000 0.896 819 L HN 0.215 nan 8.230 nan 0.000 0.432 820 R N 0.398 120.861 120.500 -0.062 0.000 2.080 820 R HA -0.186 4.153 4.340 -0.001 0.000 0.236 820 R C 2.175 178.456 176.300 -0.031 0.000 1.137 820 R CA 1.624 57.705 56.100 -0.032 0.000 0.943 820 R CB -0.069 30.232 30.300 0.002 0.000 0.846 820 R HN 0.271 nan 8.270 nan 0.000 0.431 821 E N 0.352 120.540 120.200 -0.021 0.000 2.153 821 E HA -0.134 4.215 4.350 -0.001 0.000 0.194 821 E C 1.841 178.379 176.600 -0.105 0.000 0.988 821 E CA 1.184 57.568 56.400 -0.028 0.000 0.811 821 E CB -0.251 29.449 29.700 -0.000 0.000 0.746 821 E HN 0.494 nan 8.360 nan 0.000 0.466 822 A N 0.995 123.765 122.820 -0.085 0.000 1.933 822 A HA -0.072 4.248 4.320 -0.001 0.000 0.218 822 A C 2.463 180.065 177.584 0.030 0.000 1.175 822 A CA 1.858 53.861 52.037 -0.056 0.000 0.628 822 A CB -0.963 17.991 19.000 -0.077 0.000 0.814 822 A HN 0.334 nan 8.150 nan 0.000 0.444 823 G N -0.587 108.193 108.800 -0.033 0.000 2.404 823 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.215 823 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.215 823 G C 1.733 176.521 174.900 -0.188 0.000 1.174 823 G CA 0.971 45.967 45.100 -0.174 0.000 0.780 823 G HN 0.569 nan 8.290 nan 0.000 0.537 824 R N 0.081 120.509 120.500 -0.120 0.000 2.096 824 R HA 0.039 4.378 4.340 -0.001 0.000 0.235 824 R C 2.460 178.713 176.300 -0.077 0.000 1.127 824 R CA 1.150 57.223 56.100 -0.045 0.000 0.968 824 R CB -0.303 30.036 30.300 0.065 0.000 0.861 824 R HN 0.429 nan 8.270 nan 0.000 0.440 825 I N 0.546 120.979 120.570 -0.227 0.000 2.286 825 I HA -0.165 4.005 4.170 -0.001 0.000 0.245 825 I C 2.569 178.703 176.117 0.029 0.000 1.104 825 I CA 1.062 62.194 61.300 -0.281 0.000 1.397 825 I CB -0.375 37.301 38.000 -0.540 0.000 1.072 825 I HN 0.276 nan 8.210 nan 0.000 0.417 826 A N 0.585 123.398 122.820 -0.012 0.000 1.902 826 A HA -0.248 4.071 4.320 -0.001 0.000 0.217 826 A C 1.918 179.479 177.584 -0.038 0.000 1.181 826 A CA 2.075 54.111 52.037 -0.001 0.000 0.623 826 A CB -0.601 18.331 19.000 -0.114 0.000 0.818 826 A HN 0.332 nan 8.150 nan 0.000 0.443 827 D N -0.533 119.820 120.400 -0.078 0.000 2.149 827 D HA -0.130 4.509 4.640 -0.001 0.000 0.198 827 D C 2.176 178.450 176.300 -0.044 0.000 0.990 827 D CA 1.199 55.156 54.000 -0.070 0.000 0.839 827 D CB -0.186 40.576 40.800 -0.063 0.000 0.948 827 D HN 0.400 nan 8.370 nan 0.000 0.460 828 Q N -0.828 118.962 119.800 -0.017 0.000 2.096 828 Q HA -0.001 4.338 4.340 -0.001 0.000 0.197 828 Q C 2.037 177.835 176.000 -0.338 0.000 0.964 828 Q CA 0.791 56.504 55.803 -0.150 0.000 0.838 828 Q CB -0.238 28.424 28.738 -0.125 0.000 0.906 828 Q HN 0.406 nan 8.270 nan 0.000 0.444 829 F N -1.108 118.826 119.950 -0.027 0.000 2.714 829 F HA 0.044 4.570 4.527 -0.001 0.000 0.294 829 F C 1.507 177.292 175.800 -0.024 0.000 1.120 829 F CA 0.168 58.158 58.000 -0.016 0.000 1.398 829 F CB 0.432 39.419 39.000 -0.022 0.000 1.120 829 F HN -0.020 nan 8.300 nan 0.000 0.589 830 L N -0.999 120.280 121.223 0.093 0.000 2.749 830 L HA 0.473 4.812 4.340 -0.001 0.000 0.242 830 L C 1.046 177.904 176.870 -0.020 0.000 1.103 830 L CA 0.428 55.286 54.840 0.030 0.000 0.906 830 L CB -0.232 41.829 42.059 0.003 0.000 1.228 830 L HN 0.121 nan 8.230 nan 0.000 0.517 831 G N 0.000 108.777 108.800 -0.039 0.000 5.446 831 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 831 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 831 G CA 0.000 45.069 45.100 -0.052 0.000 0.502 831 G HN 0.000 nan 8.290 nan 0.000 0.925